{"text_format":"3","workbook":"xlsx","n_sheets":5,"sheets":["bind_molecule","bm_final","similarity bm-sm","relational-data","bioavailability"],"not_rendered":{"defined_names":3},"read":"whole","date_system":"1900"}

{"sheet":"bind_molecule","index":0,"n_rows":33674,"n_cols":18,"rows_kept":4500,"cut":true,"bounds":{"rows_first":2000,"rows_last":500,"rows_between":2000,"halvings":0}}
["Table S1. Identified binding molecules from BindingDB database"]
["bnum","pcode","th","ptype","target","host","bname","smile","Ligand InChl","Ligand InChl Key","ki","ic50","kd","ec50","kon","koff","ph","tmp"]
[1,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401900","O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30)","CJPMSUUANYLPET-UHFFFAOYSA-N",null,58]
[2,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401918","CC(C)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C21H31N7O/c1-14(2)28-13-17(11-25-28)26-21-24-12-18(15-7-8-15)19(27-21)22-9-4-10-23-20(29)16-5-3-6-16/h11-16H,3-10H2,1-2H3,(H,23,29)(H2,22,24,26,27)","MLWMBKMQVQOSSC-UHFFFAOYSA-N",null,81]
[3,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401903","O=C(NCCCNc1nc(Nc2cccc(Cn3cncn3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H30N8O/c33-23(19-5-2-6-19)27-11-3-10-26-22-21(18-8-9-18)13-28-24(31-22)30-20-7-1-4-17(12-20)14-32-16-25-15-29-32/h1,4,7,12-13,15-16,18-19H,2-3,5-6,8-11,14H2,(H,27,33)(H2,26,28,30,31)","GDYSINUURRPNLP-UHFFFAOYSA-N",null,88]
[4,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401920","Cc1nn(C)c2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C24H31N7O/c1-15-19-10-9-18(13-21(19)31(2)30-15)28-24-27-14-20(16-7-8-16)22(29-24)25-11-4-12-26-23(32)17-5-3-6-17/h9-10,13-14,16-17H,3-8,11-12H2,1-2H3,(H,26,32)(H2,25,27,28,29)","YQQIVRZPQZTHDO-UHFFFAOYSA-N",null,90]
[5,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401914","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O/c31-22(17-5-3-6-17)25-12-4-11-24-21-20(16-9-10-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-1-2-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BGULRIZNMKERDJ-UHFFFAOYSA-N",null,93]
[6,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401916","O=C(NCCCNc1nc(Nc2cnn(c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C21H29N7O/c29-20(15-3-1-4-15)23-10-2-9-22-19-18(14-5-6-14)12-24-21(27-19)26-16-11-25-28(13-16)17-7-8-17/h11-15,17H,1-10H2,(H,23,29)(H2,22,24,26,27)","PLHGRDHBKJDBAW-UHFFFAOYSA-N",null,130]
[7,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401917","CCn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C20H29N7O/c1-2-27-13-16(11-24-27)25-20-23-12-17(14-7-8-14)18(26-20)21-9-4-10-22-19(28)15-5-3-6-15/h11-15H,2-10H2,1H3,(H,22,28)(H2,21,23,25,26)","ATGOJZIHHQXMBT-UHFFFAOYSA-N",null,140]
[8,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401927","O=C(NCCCNc1nc(Nc2ccc(cc2)-n2cncn2)ncc1C1CC1)C1CCC1","InChI=1S/C23H28N8O/c32-22(17-3-1-4-17)26-12-2-11-25-21-20(16-5-6-16)13-27-23(30-21)29-18-7-9-19(10-8-18)31-15-24-14-28-31/h7-10,13-17H,1-6,11-12H2,(H,26,32)(H2,25,27,29,30)","UNJQFYGCPVIKPA-UHFFFAOYSA-N",null,150]
[9,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401899","Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25)","YOFJPZPGHXWQJB-UHFFFAOYSA-N",null,170]
[10,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401915","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCC2)ncc1C1CC1)C1CCC1","InChI=1S/C22H31N7O/c30-21(16-4-1-5-16)24-11-3-10-23-20-19(15-8-9-15)13-25-22(28-20)27-17-12-26-29(14-17)18-6-2-7-18/h12-16,18H,1-11H2,(H,24,30)(H2,23,25,27,28)","WFLUXPNQSNOSDL-UHFFFAOYSA-N",null,220]
[11,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401913","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O2/c31-22(17-3-1-4-17)25-10-2-9-24-21-20(16-5-6-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-11-32-12-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BPUHLRZXPRJIDO-UHFFFAOYSA-N",null,280]
[12,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401921","Cn1ncc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C23H29N7O/c1-30-20-9-8-18(12-17(20)13-27-30)28-23-26-14-19(15-6-7-15)21(29-23)24-10-3-11-25-22(31)16-4-2-5-16/h8-9,12-16H,2-7,10-11H2,1H3,(H,25,31)(H2,24,26,28,29)","ZWBYSALZHQDDEL-UHFFFAOYSA-N",null,380]
[13,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401925","O=C(NCCCNc1nc(Nc2ccc(nc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C24H33N7O2/c32-23(18-3-1-4-18)26-10-2-9-25-22-20(17-5-6-17)16-28-24(30-22)29-19-7-8-21(27-15-19)31-11-13-33-14-12-31/h7-8,15-18H,1-6,9-14H2,(H,26,32)(H2,25,28,29,30)","OGBCWLLWFKPBKH-UHFFFAOYSA-N",null,490]
[14,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401902","CN(C)Cc1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C24H34N6O/c1-30(2)16-17-7-11-20(12-8-17)28-24-27-15-21(18-9-10-18)22(29-24)25-13-4-14-26-23(31)19-5-3-6-19/h7-8,11-12,15,18-19H,3-6,9-10,13-14,16H2,1-2H3,(H,26,31)(H2,25,27,28,29)","FVHHRIHFFRQXRD-UHFFFAOYSA-N",null,550]
[15,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401905","O=C(NCCCNc1nc(Nc2cccc(c2)-c2cnco2)ncc1C1CC1)C1CCC1","InChI=1S/C24H28N6O2/c31-23(17-4-1-5-17)27-11-3-10-26-22-20(16-8-9-16)13-28-24(30-22)29-19-7-2-6-18(12-19)21-14-25-15-32-21/h2,6-7,12-17H,1,3-5,8-11H2,(H,27,31)(H2,26,28,29,30)","DHEGBWHMLXDRTE-UHFFFAOYSA-N",null,560]
[16,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401922","O=C(NCCCNc1nc(Nc2ccc3CCN(Cc3c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C27H36N6O/c34-26(20-3-1-4-20)29-13-2-12-28-25-24(19-5-6-19)16-30-27(32-25)31-22-8-7-18-11-14-33(23-9-10-23)17-21(18)15-22/h7-8,15-16,19-20,23H,1-6,9-14,17H2,(H,29,34)(H2,28,30,31,32)","MDSQSUYVBCKIKT-UHFFFAOYSA-N",null,570]
[17,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401904","O=C(NCCCNc1nc(Nc2cccc(c2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-4-1-5-19)27-11-3-10-26-23-22(18-8-9-18)17-28-25(30-23)29-20-6-2-7-21(16-20)31-12-14-33-15-13-31/h2,6-7,16-19H,1,3-5,8-15H2,(H,27,32)(H2,26,28,29,30)","IBJXOEFBZCQHEA-UHFFFAOYSA-N",null,580]
[18,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401901","CN1CCC(CC1)c1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C27H38N6O/c1-33-16-12-20(13-17-33)19-8-10-23(11-9-19)31-27-30-18-24(21-6-7-21)25(32-27)28-14-3-15-29-26(34)22-4-2-5-22/h8-11,18,20-22H,2-7,12-17H2,1H3,(H,29,34)(H2,28,30,31,32)","KDVSDCOOYFNFIM-UHFFFAOYSA-N",null,660]
[19,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401926","O=C(NCCCNc1nc(Nc2cccnc2)ncc1C1CC1)C1CCC1","InChI=1S/C20H26N6O/c27-19(15-4-1-5-15)23-11-3-10-22-18-17(14-7-8-14)13-24-20(26-18)25-16-6-2-9-21-12-16/h2,6,9,12-15H,1,3-5,7-8,10-11H2,(H,23,27)(H2,22,24,25,26)","DAAZPAUBEVGXFD-UHFFFAOYSA-N",null,">1000"]
[20,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401924","O=C(NCCCNc1nc(Nc2ccc(CN3CCCCC3)nc2)ncc1C1CC1)C1CCC1","InChI=1S/C26H37N7O/c34-25(20-6-4-7-20)28-13-5-12-27-24-23(19-8-9-19)17-30-26(32-24)31-21-10-11-22(29-16-21)18-33-14-2-1-3-15-33/h10-11,16-17,19-20H,1-9,12-15,18H2,(H,28,34)(H2,27,30,31,32)","YMKUQCYWRPVRGE-UHFFFAOYSA-N",null,1200]
[21,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401906","Fc1cccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)c1","InChI=1S/C21H26FN5O/c22-16-6-2-7-17(12-16)26-21-25-13-18(14-8-9-14)19(27-21)23-10-3-11-24-20(28)15-4-1-5-15/h2,6-7,12-15H,1,3-5,8-11H2,(H,24,28)(H2,23,25,26,27)","URECOWLJWSLQCN-UHFFFAOYSA-N",null,1300]
[22,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401911","CC(C)N1CCC(CC1)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C26H40N8O/c1-18(2)33-13-9-22(10-14-33)34-17-21(15-30-34)31-26-29-16-23(19-7-8-19)24(32-26)27-11-4-12-28-25(35)20-5-3-6-20/h15-20,22H,3-14H2,1-2H3,(H,28,35)(H2,27,29,31,32)","MJCWEXGCJMNQGR-UHFFFAOYSA-N",null,3000]
[23,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401912","O=C(NCCCNc1nc(Nc2cnn(CCN3CCOCC3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H36N8O2/c33-23(19-3-1-4-19)26-8-2-7-25-22-21(18-5-6-18)16-27-24(30-22)29-20-15-28-32(17-20)10-9-31-11-13-34-14-12-31/h15-19H,1-14H2,(H,26,33)(H2,25,27,29,30)","OOXCKYWNRURMMA-UHFFFAOYSA-N",null,9000]
[24,"7dx1_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50046145","CCCCCCCCCCCCCCC[C@@]1(O)C[N+](C)(C)C[C@@H](CC([O-])=O)O1","InChI=1S/C23H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)20-24(2,3)19-21(28-23)18-22(25)26/h21,27H,4-20H2,1-3H3/t21-,23+/m1/s1","SPDGRWIGMIHIAC-GGAORHGYSA-N",160]
[25,"7dx1_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50046145","CCCCCCCCCCCCCCC[C@@]1(O)C[N+](C)(C)C[C@@H](CC([O-])=O)O1","InChI=1S/C23H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)20-24(2,3)19-21(28-23)18-22(25)26/h21,27H,4-20H2,1-3H3/t21-,23+/m1/s1","SPDGRWIGMIHIAC-GGAORHGYSA-N",2800]
[26,"7dx1_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50046145","CCCCCCCCCCCCCCC[C@@]1(O)C[N+](C)(C)C[C@@H](CC([O-])=O)O1","InChI=1S/C23H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)20-24(2,3)19-21(28-23)18-22(25)26/h21,27H,4-20H2,1-3H3/t21-,23+/m1/s1","SPDGRWIGMIHIAC-GGAORHGYSA-N",4200]
[27,"7dx1_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403033","CCCCCCCCCCCCCCCC(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C","InChI=1S/C23H46N2O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26)24-21(19-23(27)28)20-25(2,3)4/h21H,5-20H2,1-4H3,(H-,24,26,27,28)/t21-/m1/s1","IUBZDMWVMKIBIS-OAQYLSRUSA-N",null,140]
[28,"7dx1_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50122839","CCCCCCCCCCCCCCNC(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C","InChI=1S/C22H45N3O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-23-22(28)24-20(18-21(26)27)19-25(2,3)4/h20H,5-19H2,1-4H3,(H2-,23,24,26,27,28)/t20-/m1/s1","BMZYTDRMCBZVNH-HXUWFJFHSA-N",null,160]
[29,"7dx1_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403040","COc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccc(cc12)C(=O)Nc1ccc(cc1)C(O)=O","InChI=1S/C23H19ClN2O6S/c1-32-20-9-6-17(24)13-21(20)33(30,31)26-11-10-14-2-3-16(12-19(14)26)22(27)25-18-7-4-15(5-8-18)23(28)29/h2-9,12-13H,10-11H2,1H3,(H,25,27)(H,28,29)","SPZKHICEEDMLAD-UHFFFAOYSA-N",null,740]
[30,"7dx1_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403038","COc1ccc(C)cc1S(=O)(=O)N1CCCc2ccc(cc12)C(=O)Nc1ccc(CC(O)=O)cc1","InChI=1S/C26H26N2O6S/c1-17-5-12-23(34-2)24(14-17)35(32,33)28-13-3-4-19-8-9-20(16-22(19)28)26(31)27-21-10-6-18(7-11-21)15-25(29)30/h5-12,14,16H,3-4,13,15H2,1-2H3,(H,27,31)(H,29,30)","SQOXYOBZJLLXKB-UHFFFAOYSA-N",null,2800]
[31,"7dx1_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403034","C[N+](C)(C)C[C@H](N)CC([O-])=O","InChI=1S/C7H16N2O2/c1-9(2,3)5-6(8)4-7(10)11/h6H,4-5,8H2,1-3H3/t6-/m1/s1","DAWBGYHPBBDHMQ-ZCFIWIBFSA-N",null,3900]
[32,"7dx1_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403031","OC(=O)C(=O)c1ccc(OCCOc2ccc3ccccc3c2)s1","InChI=1S/C18H14O5S/c19-17(18(20)21)15-7-8-16(24-15)23-10-9-22-14-6-5-12-3-1-2-4-13(12)11-14/h1-8,11H,9-10H2,(H,20,21)","IANOEARWEWNMSC-UHFFFAOYSA-N",null,4700]
[33,"7dx1_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403037","O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(cs1)-c1ccccn1","InChI=1S/C21H21N3O2S/c25-20(14-26-16-8-2-1-3-9-16)24-13-7-5-11-19(24)21-23-18(15-27-21)17-10-4-6-12-22-17/h1-4,6,8-10,12,15,19H,5,7,11,13-14H2/t19-/m1/s1","BOUYMYAAZCWWFQ-LJQANCHMSA-N",null,4800]
[34,"7dx1_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403032","CCCCCCOc1cccc(OCCCCNC(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C)c1","InChI=1S/C24H41N3O5/c1-5-6-7-9-15-31-21-12-11-13-22(18-21)32-16-10-8-14-25-24(30)26-20(17-23(28)29)19-27(2,3)4/h11-13,18,20H,5-10,14-17,19H2,1-4H3,(H2-,25,26,28,29,30)/t20-/m1/s1","PIIALPQJIBSJRM-HXUWFJFHSA-N",null,5400]
[35,"7dx1_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM61402","C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1","InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2","CYXKNKQEMFBLER-UHFFFAOYSA-N",null,72800]
[36,"7dx1_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50118093","OC(=O)C(=O)c1ccc(O)cc1","InChI=1S/C8H6O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,9H,(H,11,12)","KXFJZKUFXHWWAJ-UHFFFAOYSA-N",null,">100000"]
[37,"7dx1_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM18957","CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1","InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3","IYIKLHRQXLHMJQ-UHFFFAOYSA-N",null,">100000"]
[38,"7dx1_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403035","N[C@H](C(O)=O)c1ccc(O)cc1","InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1","LJCWONGJFPCTTL-ZETCQYMHSA-N",null,">100000"]
[39,"7dx1_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM80613","COc1ccc(CN2CCNCC2)c(OC)c1OC","InChI=1S/C14H22N2O3/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3","UHWVSEOVJBQKBE-UHFFFAOYSA-N",null,">100000"]
[40,"7dx1_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403039","COc1ccc(Cl)cc1S(=O)(=O)N1CC(Oc2ccc(cc12)C(=O)Nc1cccc(F)c1)C(O)=O","InChI=1S/C23H18ClFN2O7S/c1-33-19-8-6-14(24)10-21(19)35(31,32)27-12-20(23(29)30)34-18-7-5-13(9-17(18)27)22(28)26-16-4-2-3-15(25)11-16/h2-11,20H,12H2,1H3,(H,26,28)(H,29,30)","RMZZHWOSLFWWAJ-UHFFFAOYSA-N",null,">100000"]
[41,"7dx1_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50284164","CCCCCCCCCCCCCCCC[C@@]1(O)C[N+](C)(C)CCO1","InChI=1S/C22H46NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(24)21-23(2,3)19-20-25-22/h24H,4-21H2,1-3H3/q+1/t22-/m0/s1","YEQJDGNZWPTPII-QFIPXVFZSA-N",null,235000]
[42,"7dx1_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401900","O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30)","CJPMSUUANYLPET-UHFFFAOYSA-N",null,58]
[43,"7dx1_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401918","CC(C)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C21H31N7O/c1-14(2)28-13-17(11-25-28)26-21-24-12-18(15-7-8-15)19(27-21)22-9-4-10-23-20(29)16-5-3-6-16/h11-16H,3-10H2,1-2H3,(H,23,29)(H2,22,24,26,27)","MLWMBKMQVQOSSC-UHFFFAOYSA-N",null,81]
[44,"7dx1_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401903","O=C(NCCCNc1nc(Nc2cccc(Cn3cncn3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H30N8O/c33-23(19-5-2-6-19)27-11-3-10-26-22-21(18-8-9-18)13-28-24(31-22)30-20-7-1-4-17(12-20)14-32-16-25-15-29-32/h1,4,7,12-13,15-16,18-19H,2-3,5-6,8-11,14H2,(H,27,33)(H2,26,28,30,31)","GDYSINUURRPNLP-UHFFFAOYSA-N",null,88]
[45,"7dx1_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401920","Cc1nn(C)c2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C24H31N7O/c1-15-19-10-9-18(13-21(19)31(2)30-15)28-24-27-14-20(16-7-8-16)22(29-24)25-11-4-12-26-23(32)17-5-3-6-17/h9-10,13-14,16-17H,3-8,11-12H2,1-2H3,(H,26,32)(H2,25,27,28,29)","YQQIVRZPQZTHDO-UHFFFAOYSA-N",null,90]
[46,"7dx1_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401914","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O/c31-22(17-5-3-6-17)25-12-4-11-24-21-20(16-9-10-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-1-2-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BGULRIZNMKERDJ-UHFFFAOYSA-N",null,93]
[47,"7dx1_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401916","O=C(NCCCNc1nc(Nc2cnn(c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C21H29N7O/c29-20(15-3-1-4-15)23-10-2-9-22-19-18(14-5-6-14)12-24-21(27-19)26-16-11-25-28(13-16)17-7-8-17/h11-15,17H,1-10H2,(H,23,29)(H2,22,24,26,27)","PLHGRDHBKJDBAW-UHFFFAOYSA-N",null,130]
[48,"7dx1_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401917","CCn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C20H29N7O/c1-2-27-13-16(11-24-27)25-20-23-12-17(14-7-8-14)18(26-20)21-9-4-10-22-19(28)15-5-3-6-15/h11-15H,2-10H2,1H3,(H,22,28)(H2,21,23,25,26)","ATGOJZIHHQXMBT-UHFFFAOYSA-N",null,140]
[49,"7dx1_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401927","O=C(NCCCNc1nc(Nc2ccc(cc2)-n2cncn2)ncc1C1CC1)C1CCC1","InChI=1S/C23H28N8O/c32-22(17-3-1-4-17)26-12-2-11-25-21-20(16-5-6-16)13-27-23(30-21)29-18-7-9-19(10-8-18)31-15-24-14-28-31/h7-10,13-17H,1-6,11-12H2,(H,26,32)(H2,25,27,29,30)","UNJQFYGCPVIKPA-UHFFFAOYSA-N",null,150]
[50,"7dx1_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401899","Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25)","YOFJPZPGHXWQJB-UHFFFAOYSA-N",null,170]
[51,"7dx1_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401915","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCC2)ncc1C1CC1)C1CCC1","InChI=1S/C22H31N7O/c30-21(16-4-1-5-16)24-11-3-10-23-20-19(15-8-9-15)13-25-22(28-20)27-17-12-26-29(14-17)18-6-2-7-18/h12-16,18H,1-11H2,(H,24,30)(H2,23,25,27,28)","WFLUXPNQSNOSDL-UHFFFAOYSA-N",null,220]
[52,"7dx1_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401913","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O2/c31-22(17-3-1-4-17)25-10-2-9-24-21-20(16-5-6-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-11-32-12-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BPUHLRZXPRJIDO-UHFFFAOYSA-N",null,280]
[53,"7dx1_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401921","Cn1ncc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C23H29N7O/c1-30-20-9-8-18(12-17(20)13-27-30)28-23-26-14-19(15-6-7-15)21(29-23)24-10-3-11-25-22(31)16-4-2-5-16/h8-9,12-16H,2-7,10-11H2,1H3,(H,25,31)(H2,24,26,28,29)","ZWBYSALZHQDDEL-UHFFFAOYSA-N",null,380]
[54,"7dx1_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401925","O=C(NCCCNc1nc(Nc2ccc(nc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C24H33N7O2/c32-23(18-3-1-4-18)26-10-2-9-25-22-20(17-5-6-17)16-28-24(30-22)29-19-7-8-21(27-15-19)31-11-13-33-14-12-31/h7-8,15-18H,1-6,9-14H2,(H,26,32)(H2,25,28,29,30)","OGBCWLLWFKPBKH-UHFFFAOYSA-N",null,490]
[55,"7dx1_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401902","CN(C)Cc1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C24H34N6O/c1-30(2)16-17-7-11-20(12-8-17)28-24-27-15-21(18-9-10-18)22(29-24)25-13-4-14-26-23(31)19-5-3-6-19/h7-8,11-12,15,18-19H,3-6,9-10,13-14,16H2,1-2H3,(H,26,31)(H2,25,27,28,29)","FVHHRIHFFRQXRD-UHFFFAOYSA-N",null,550]
[56,"7dx1_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401905","O=C(NCCCNc1nc(Nc2cccc(c2)-c2cnco2)ncc1C1CC1)C1CCC1","InChI=1S/C24H28N6O2/c31-23(17-4-1-5-17)27-11-3-10-26-22-20(16-8-9-16)13-28-24(30-22)29-19-7-2-6-18(12-19)21-14-25-15-32-21/h2,6-7,12-17H,1,3-5,8-11H2,(H,27,31)(H2,26,28,29,30)","DHEGBWHMLXDRTE-UHFFFAOYSA-N",null,560]
[57,"7dx1_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401922","O=C(NCCCNc1nc(Nc2ccc3CCN(Cc3c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C27H36N6O/c34-26(20-3-1-4-20)29-13-2-12-28-25-24(19-5-6-19)16-30-27(32-25)31-22-8-7-18-11-14-33(23-9-10-23)17-21(18)15-22/h7-8,15-16,19-20,23H,1-6,9-14,17H2,(H,29,34)(H2,28,30,31,32)","MDSQSUYVBCKIKT-UHFFFAOYSA-N",null,570]
[58,"7dx1_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401904","O=C(NCCCNc1nc(Nc2cccc(c2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-4-1-5-19)27-11-3-10-26-23-22(18-8-9-18)17-28-25(30-23)29-20-6-2-7-21(16-20)31-12-14-33-15-13-31/h2,6-7,16-19H,1,3-5,8-15H2,(H,27,32)(H2,26,28,29,30)","IBJXOEFBZCQHEA-UHFFFAOYSA-N",null,580]
[59,"7dx1_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401901","CN1CCC(CC1)c1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C27H38N6O/c1-33-16-12-20(13-17-33)19-8-10-23(11-9-19)31-27-30-18-24(21-6-7-21)25(32-27)28-14-3-15-29-26(34)22-4-2-5-22/h8-11,18,20-22H,2-7,12-17H2,1H3,(H,29,34)(H2,28,30,31,32)","KDVSDCOOYFNFIM-UHFFFAOYSA-N",null,660]
[60,"7dx1_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401926","O=C(NCCCNc1nc(Nc2cccnc2)ncc1C1CC1)C1CCC1","InChI=1S/C20H26N6O/c27-19(15-4-1-5-15)23-11-3-10-22-18-17(14-7-8-14)13-24-20(26-18)25-16-6-2-9-21-12-16/h2,6,9,12-15H,1,3-5,7-8,10-11H2,(H,23,27)(H2,22,24,25,26)","DAAZPAUBEVGXFD-UHFFFAOYSA-N",null,">1000"]
[61,"7dx1_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401924","O=C(NCCCNc1nc(Nc2ccc(CN3CCCCC3)nc2)ncc1C1CC1)C1CCC1","InChI=1S/C26H37N7O/c34-25(20-6-4-7-20)28-13-5-12-27-24-23(19-8-9-19)17-30-26(32-24)31-21-10-11-22(29-16-21)18-33-14-2-1-3-15-33/h10-11,16-17,19-20H,1-9,12-15,18H2,(H,28,34)(H2,27,30,31,32)","YMKUQCYWRPVRGE-UHFFFAOYSA-N",null,1200]
[62,"7dx1_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401906","Fc1cccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)c1","InChI=1S/C21H26FN5O/c22-16-6-2-7-17(12-16)26-21-25-13-18(14-8-9-14)19(27-21)23-10-3-11-24-20(28)15-4-1-5-15/h2,6-7,12-15H,1,3-5,8-11H2,(H,24,28)(H2,23,25,26,27)","URECOWLJWSLQCN-UHFFFAOYSA-N",null,1300]
[63,"7dx1_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401911","CC(C)N1CCC(CC1)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C26H40N8O/c1-18(2)33-13-9-22(10-14-33)34-17-21(15-30-34)31-26-29-16-23(19-7-8-19)24(32-26)27-11-4-12-28-25(35)20-5-3-6-20/h15-20,22H,3-14H2,1-2H3,(H,28,35)(H2,27,29,31,32)","MJCWEXGCJMNQGR-UHFFFAOYSA-N",null,3000]
[64,"7dx1_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401912","O=C(NCCCNc1nc(Nc2cnn(CCN3CCOCC3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H36N8O2/c33-23(19-3-1-4-19)26-8-2-7-25-22-21(18-5-6-18)16-27-24(30-22)29-20-15-28-32(17-20)10-9-31-11-13-34-14-12-31/h15-19H,1-14H2,(H,26,33)(H2,25,27,29,30)","OOXCKYWNRURMMA-UHFFFAOYSA-N",null,9000]
[65,"7dx1_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50046145","CCCCCCCCCCCCCCC[C@@]1(O)C[N+](C)(C)C[C@@H](CC([O-])=O)O1","InChI=1S/C23H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)20-24(2,3)19-21(28-23)18-22(25)26/h21,27H,4-20H2,1-3H3/t21-,23+/m1/s1","SPDGRWIGMIHIAC-GGAORHGYSA-N",160]
[66,"7dx1_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50046145","CCCCCCCCCCCCCCC[C@@]1(O)C[N+](C)(C)C[C@@H](CC([O-])=O)O1","InChI=1S/C23H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)20-24(2,3)19-21(28-23)18-22(25)26/h21,27H,4-20H2,1-3H3/t21-,23+/m1/s1","SPDGRWIGMIHIAC-GGAORHGYSA-N",2800]
[67,"7dx1_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50046145","CCCCCCCCCCCCCCC[C@@]1(O)C[N+](C)(C)C[C@@H](CC([O-])=O)O1","InChI=1S/C23H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)20-24(2,3)19-21(28-23)18-22(25)26/h21,27H,4-20H2,1-3H3/t21-,23+/m1/s1","SPDGRWIGMIHIAC-GGAORHGYSA-N",4200]
[68,"7dx1_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403033","CCCCCCCCCCCCCCCC(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C","InChI=1S/C23H46N2O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26)24-21(19-23(27)28)20-25(2,3)4/h21H,5-20H2,1-4H3,(H-,24,26,27,28)/t21-/m1/s1","IUBZDMWVMKIBIS-OAQYLSRUSA-N",null,140]
[69,"7dx1_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50122839","CCCCCCCCCCCCCCNC(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C","InChI=1S/C22H45N3O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-23-22(28)24-20(18-21(26)27)19-25(2,3)4/h20H,5-19H2,1-4H3,(H2-,23,24,26,27,28)/t20-/m1/s1","BMZYTDRMCBZVNH-HXUWFJFHSA-N",null,160]
[70,"7dx1_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403040","COc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccc(cc12)C(=O)Nc1ccc(cc1)C(O)=O","InChI=1S/C23H19ClN2O6S/c1-32-20-9-6-17(24)13-21(20)33(30,31)26-11-10-14-2-3-16(12-19(14)26)22(27)25-18-7-4-15(5-8-18)23(28)29/h2-9,12-13H,10-11H2,1H3,(H,25,27)(H,28,29)","SPZKHICEEDMLAD-UHFFFAOYSA-N",null,740]
[71,"7dx1_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403038","COc1ccc(C)cc1S(=O)(=O)N1CCCc2ccc(cc12)C(=O)Nc1ccc(CC(O)=O)cc1","InChI=1S/C26H26N2O6S/c1-17-5-12-23(34-2)24(14-17)35(32,33)28-13-3-4-19-8-9-20(16-22(19)28)26(31)27-21-10-6-18(7-11-21)15-25(29)30/h5-12,14,16H,3-4,13,15H2,1-2H3,(H,27,31)(H,29,30)","SQOXYOBZJLLXKB-UHFFFAOYSA-N",null,2800]
[72,"7dx1_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403034","C[N+](C)(C)C[C@H](N)CC([O-])=O","InChI=1S/C7H16N2O2/c1-9(2,3)5-6(8)4-7(10)11/h6H,4-5,8H2,1-3H3/t6-/m1/s1","DAWBGYHPBBDHMQ-ZCFIWIBFSA-N",null,3900]
[73,"7dx1_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403031","OC(=O)C(=O)c1ccc(OCCOc2ccc3ccccc3c2)s1","InChI=1S/C18H14O5S/c19-17(18(20)21)15-7-8-16(24-15)23-10-9-22-14-6-5-12-3-1-2-4-13(12)11-14/h1-8,11H,9-10H2,(H,20,21)","IANOEARWEWNMSC-UHFFFAOYSA-N",null,4700]
[74,"7dx1_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403037","O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(cs1)-c1ccccn1","InChI=1S/C21H21N3O2S/c25-20(14-26-16-8-2-1-3-9-16)24-13-7-5-11-19(24)21-23-18(15-27-21)17-10-4-6-12-22-17/h1-4,6,8-10,12,15,19H,5,7,11,13-14H2/t19-/m1/s1","BOUYMYAAZCWWFQ-LJQANCHMSA-N",null,4800]
[75,"7dx1_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403032","CCCCCCOc1cccc(OCCCCNC(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C)c1","InChI=1S/C24H41N3O5/c1-5-6-7-9-15-31-21-12-11-13-22(18-21)32-16-10-8-14-25-24(30)26-20(17-23(28)29)19-27(2,3)4/h11-13,18,20H,5-10,14-17,19H2,1-4H3,(H2-,25,26,28,29,30)/t20-/m1/s1","PIIALPQJIBSJRM-HXUWFJFHSA-N",null,5400]
[76,"7dx1_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM61402","C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1","InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2","CYXKNKQEMFBLER-UHFFFAOYSA-N",null,72800]
[77,"7dx1_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50118093","OC(=O)C(=O)c1ccc(O)cc1","InChI=1S/C8H6O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,9H,(H,11,12)","KXFJZKUFXHWWAJ-UHFFFAOYSA-N",null,">100000"]
[78,"7dx1_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM18957","CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1","InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3","IYIKLHRQXLHMJQ-UHFFFAOYSA-N",null,">100000"]
[79,"7dx1_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403035","N[C@H](C(O)=O)c1ccc(O)cc1","InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1","LJCWONGJFPCTTL-ZETCQYMHSA-N",null,">100000"]
[80,"7dx1_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM80613","COc1ccc(CN2CCNCC2)c(OC)c1OC","InChI=1S/C14H22N2O3/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3","UHWVSEOVJBQKBE-UHFFFAOYSA-N",null,">100000"]
[81,"7dx1_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403039","COc1ccc(Cl)cc1S(=O)(=O)N1CC(Oc2ccc(cc12)C(=O)Nc1cccc(F)c1)C(O)=O","InChI=1S/C23H18ClFN2O7S/c1-33-19-8-6-14(24)10-21(19)35(31,32)27-12-20(23(29)30)34-18-7-5-13(9-17(18)27)22(28)26-16-4-2-3-15(25)11-16/h2-11,20H,12H2,1H3,(H,26,28)(H,29,30)","RMZZHWOSLFWWAJ-UHFFFAOYSA-N",null,">100000"]
[82,"7dx1_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50284164","CCCCCCCCCCCCCCCC[C@@]1(O)C[N+](C)(C)CCO1","InChI=1S/C22H46NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(24)21-23(2,3)19-20-25-22/h24H,4-21H2,1-3H3/q+1/t22-/m0/s1","YEQJDGNZWPTPII-QFIPXVFZSA-N",null,235000]
[83,"7cak_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401900","O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30)","CJPMSUUANYLPET-UHFFFAOYSA-N",null,58]
[84,"7cak_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401918","CC(C)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C21H31N7O/c1-14(2)28-13-17(11-25-28)26-21-24-12-18(15-7-8-15)19(27-21)22-9-4-10-23-20(29)16-5-3-6-16/h11-16H,3-10H2,1-2H3,(H,23,29)(H2,22,24,26,27)","MLWMBKMQVQOSSC-UHFFFAOYSA-N",null,81]
[85,"7cak_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401903","O=C(NCCCNc1nc(Nc2cccc(Cn3cncn3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H30N8O/c33-23(19-5-2-6-19)27-11-3-10-26-22-21(18-8-9-18)13-28-24(31-22)30-20-7-1-4-17(12-20)14-32-16-25-15-29-32/h1,4,7,12-13,15-16,18-19H,2-3,5-6,8-11,14H2,(H,27,33)(H2,26,28,30,31)","GDYSINUURRPNLP-UHFFFAOYSA-N",null,88]
[86,"7cak_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401920","Cc1nn(C)c2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C24H31N7O/c1-15-19-10-9-18(13-21(19)31(2)30-15)28-24-27-14-20(16-7-8-16)22(29-24)25-11-4-12-26-23(32)17-5-3-6-17/h9-10,13-14,16-17H,3-8,11-12H2,1-2H3,(H,26,32)(H2,25,27,28,29)","YQQIVRZPQZTHDO-UHFFFAOYSA-N",null,90]
[87,"7cak_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401914","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O/c31-22(17-5-3-6-17)25-12-4-11-24-21-20(16-9-10-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-1-2-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BGULRIZNMKERDJ-UHFFFAOYSA-N",null,93]
[88,"7cak_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401916","O=C(NCCCNc1nc(Nc2cnn(c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C21H29N7O/c29-20(15-3-1-4-15)23-10-2-9-22-19-18(14-5-6-14)12-24-21(27-19)26-16-11-25-28(13-16)17-7-8-17/h11-15,17H,1-10H2,(H,23,29)(H2,22,24,26,27)","PLHGRDHBKJDBAW-UHFFFAOYSA-N",null,130]
[89,"7cak_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401917","CCn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C20H29N7O/c1-2-27-13-16(11-24-27)25-20-23-12-17(14-7-8-14)18(26-20)21-9-4-10-22-19(28)15-5-3-6-15/h11-15H,2-10H2,1H3,(H,22,28)(H2,21,23,25,26)","ATGOJZIHHQXMBT-UHFFFAOYSA-N",null,140]
[90,"7cak_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401927","O=C(NCCCNc1nc(Nc2ccc(cc2)-n2cncn2)ncc1C1CC1)C1CCC1","InChI=1S/C23H28N8O/c32-22(17-3-1-4-17)26-12-2-11-25-21-20(16-5-6-16)13-27-23(30-21)29-18-7-9-19(10-8-18)31-15-24-14-28-31/h7-10,13-17H,1-6,11-12H2,(H,26,32)(H2,25,27,29,30)","UNJQFYGCPVIKPA-UHFFFAOYSA-N",null,150]
[91,"7cak_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401899","Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25)","YOFJPZPGHXWQJB-UHFFFAOYSA-N",null,170]
[92,"7cak_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401915","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCC2)ncc1C1CC1)C1CCC1","InChI=1S/C22H31N7O/c30-21(16-4-1-5-16)24-11-3-10-23-20-19(15-8-9-15)13-25-22(28-20)27-17-12-26-29(14-17)18-6-2-7-18/h12-16,18H,1-11H2,(H,24,30)(H2,23,25,27,28)","WFLUXPNQSNOSDL-UHFFFAOYSA-N",null,220]
[93,"7cak_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401913","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O2/c31-22(17-3-1-4-17)25-10-2-9-24-21-20(16-5-6-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-11-32-12-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BPUHLRZXPRJIDO-UHFFFAOYSA-N",null,280]
[94,"7cak_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401921","Cn1ncc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C23H29N7O/c1-30-20-9-8-18(12-17(20)13-27-30)28-23-26-14-19(15-6-7-15)21(29-23)24-10-3-11-25-22(31)16-4-2-5-16/h8-9,12-16H,2-7,10-11H2,1H3,(H,25,31)(H2,24,26,28,29)","ZWBYSALZHQDDEL-UHFFFAOYSA-N",null,380]
[95,"7cak_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401925","O=C(NCCCNc1nc(Nc2ccc(nc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C24H33N7O2/c32-23(18-3-1-4-18)26-10-2-9-25-22-20(17-5-6-17)16-28-24(30-22)29-19-7-8-21(27-15-19)31-11-13-33-14-12-31/h7-8,15-18H,1-6,9-14H2,(H,26,32)(H2,25,28,29,30)","OGBCWLLWFKPBKH-UHFFFAOYSA-N",null,490]
[96,"7cak_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401902","CN(C)Cc1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C24H34N6O/c1-30(2)16-17-7-11-20(12-8-17)28-24-27-15-21(18-9-10-18)22(29-24)25-13-4-14-26-23(31)19-5-3-6-19/h7-8,11-12,15,18-19H,3-6,9-10,13-14,16H2,1-2H3,(H,26,31)(H2,25,27,28,29)","FVHHRIHFFRQXRD-UHFFFAOYSA-N",null,550]
[97,"7cak_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401905","O=C(NCCCNc1nc(Nc2cccc(c2)-c2cnco2)ncc1C1CC1)C1CCC1","InChI=1S/C24H28N6O2/c31-23(17-4-1-5-17)27-11-3-10-26-22-20(16-8-9-16)13-28-24(30-22)29-19-7-2-6-18(12-19)21-14-25-15-32-21/h2,6-7,12-17H,1,3-5,8-11H2,(H,27,31)(H2,26,28,29,30)","DHEGBWHMLXDRTE-UHFFFAOYSA-N",null,560]
[98,"7cak_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401922","O=C(NCCCNc1nc(Nc2ccc3CCN(Cc3c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C27H36N6O/c34-26(20-3-1-4-20)29-13-2-12-28-25-24(19-5-6-19)16-30-27(32-25)31-22-8-7-18-11-14-33(23-9-10-23)17-21(18)15-22/h7-8,15-16,19-20,23H,1-6,9-14,17H2,(H,29,34)(H2,28,30,31,32)","MDSQSUYVBCKIKT-UHFFFAOYSA-N",null,570]
[99,"7cak_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401904","O=C(NCCCNc1nc(Nc2cccc(c2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-4-1-5-19)27-11-3-10-26-23-22(18-8-9-18)17-28-25(30-23)29-20-6-2-7-21(16-20)31-12-14-33-15-13-31/h2,6-7,16-19H,1,3-5,8-15H2,(H,27,32)(H2,26,28,29,30)","IBJXOEFBZCQHEA-UHFFFAOYSA-N",null,580]
[100,"7cak_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401901","CN1CCC(CC1)c1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C27H38N6O/c1-33-16-12-20(13-17-33)19-8-10-23(11-9-19)31-27-30-18-24(21-6-7-21)25(32-27)28-14-3-15-29-26(34)22-4-2-5-22/h8-11,18,20-22H,2-7,12-17H2,1H3,(H,29,34)(H2,28,30,31,32)","KDVSDCOOYFNFIM-UHFFFAOYSA-N",null,660]
[101,"7cak_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401926","O=C(NCCCNc1nc(Nc2cccnc2)ncc1C1CC1)C1CCC1","InChI=1S/C20H26N6O/c27-19(15-4-1-5-15)23-11-3-10-22-18-17(14-7-8-14)13-24-20(26-18)25-16-6-2-9-21-12-16/h2,6,9,12-15H,1,3-5,7-8,10-11H2,(H,23,27)(H2,22,24,25,26)","DAAZPAUBEVGXFD-UHFFFAOYSA-N",null,">1000"]
[102,"7cak_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401924","O=C(NCCCNc1nc(Nc2ccc(CN3CCCCC3)nc2)ncc1C1CC1)C1CCC1","InChI=1S/C26H37N7O/c34-25(20-6-4-7-20)28-13-5-12-27-24-23(19-8-9-19)17-30-26(32-24)31-21-10-11-22(29-16-21)18-33-14-2-1-3-15-33/h10-11,16-17,19-20H,1-9,12-15,18H2,(H,28,34)(H2,27,30,31,32)","YMKUQCYWRPVRGE-UHFFFAOYSA-N",null,1200]
[103,"7cak_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401906","Fc1cccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)c1","InChI=1S/C21H26FN5O/c22-16-6-2-7-17(12-16)26-21-25-13-18(14-8-9-14)19(27-21)23-10-3-11-24-20(28)15-4-1-5-15/h2,6-7,12-15H,1,3-5,8-11H2,(H,24,28)(H2,23,25,26,27)","URECOWLJWSLQCN-UHFFFAOYSA-N",null,1300]
[104,"7cak_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401911","CC(C)N1CCC(CC1)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C26H40N8O/c1-18(2)33-13-9-22(10-14-33)34-17-21(15-30-34)31-26-29-16-23(19-7-8-19)24(32-26)27-11-4-12-28-25(35)20-5-3-6-20/h15-20,22H,3-14H2,1-2H3,(H,28,35)(H2,27,29,31,32)","MJCWEXGCJMNQGR-UHFFFAOYSA-N",null,3000]
[105,"7cak_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401912","O=C(NCCCNc1nc(Nc2cnn(CCN3CCOCC3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H36N8O2/c33-23(19-3-1-4-19)26-8-2-7-25-22-21(18-5-6-18)16-27-24(30-22)29-20-15-28-32(17-20)10-9-31-11-13-34-14-12-31/h15-19H,1-14H2,(H,26,33)(H2,25,27,29,30)","OOXCKYWNRURMMA-UHFFFAOYSA-N",null,9000]
[106,"7ddd_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401900","O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30)","CJPMSUUANYLPET-UHFFFAOYSA-N",null,58]
[107,"7ddd_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401918","CC(C)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C21H31N7O/c1-14(2)28-13-17(11-25-28)26-21-24-12-18(15-7-8-15)19(27-21)22-9-4-10-23-20(29)16-5-3-6-16/h11-16H,3-10H2,1-2H3,(H,23,29)(H2,22,24,26,27)","MLWMBKMQVQOSSC-UHFFFAOYSA-N",null,81]
[108,"7ddd_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401903","O=C(NCCCNc1nc(Nc2cccc(Cn3cncn3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H30N8O/c33-23(19-5-2-6-19)27-11-3-10-26-22-21(18-8-9-18)13-28-24(31-22)30-20-7-1-4-17(12-20)14-32-16-25-15-29-32/h1,4,7,12-13,15-16,18-19H,2-3,5-6,8-11,14H2,(H,27,33)(H2,26,28,30,31)","GDYSINUURRPNLP-UHFFFAOYSA-N",null,88]
[109,"7ddd_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401920","Cc1nn(C)c2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C24H31N7O/c1-15-19-10-9-18(13-21(19)31(2)30-15)28-24-27-14-20(16-7-8-16)22(29-24)25-11-4-12-26-23(32)17-5-3-6-17/h9-10,13-14,16-17H,3-8,11-12H2,1-2H3,(H,26,32)(H2,25,27,28,29)","YQQIVRZPQZTHDO-UHFFFAOYSA-N",null,90]
[110,"7ddd_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401914","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O/c31-22(17-5-3-6-17)25-12-4-11-24-21-20(16-9-10-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-1-2-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BGULRIZNMKERDJ-UHFFFAOYSA-N",null,93]
[111,"7ddd_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401916","O=C(NCCCNc1nc(Nc2cnn(c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C21H29N7O/c29-20(15-3-1-4-15)23-10-2-9-22-19-18(14-5-6-14)12-24-21(27-19)26-16-11-25-28(13-16)17-7-8-17/h11-15,17H,1-10H2,(H,23,29)(H2,22,24,26,27)","PLHGRDHBKJDBAW-UHFFFAOYSA-N",null,130]
[112,"7ddd_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401917","CCn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C20H29N7O/c1-2-27-13-16(11-24-27)25-20-23-12-17(14-7-8-14)18(26-20)21-9-4-10-22-19(28)15-5-3-6-15/h11-15H,2-10H2,1H3,(H,22,28)(H2,21,23,25,26)","ATGOJZIHHQXMBT-UHFFFAOYSA-N",null,140]
[113,"7ddd_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401927","O=C(NCCCNc1nc(Nc2ccc(cc2)-n2cncn2)ncc1C1CC1)C1CCC1","InChI=1S/C23H28N8O/c32-22(17-3-1-4-17)26-12-2-11-25-21-20(16-5-6-16)13-27-23(30-21)29-18-7-9-19(10-8-18)31-15-24-14-28-31/h7-10,13-17H,1-6,11-12H2,(H,26,32)(H2,25,27,29,30)","UNJQFYGCPVIKPA-UHFFFAOYSA-N",null,150]
[114,"7ddd_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401899","Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25)","YOFJPZPGHXWQJB-UHFFFAOYSA-N",null,170]
[115,"7ddd_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401915","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCC2)ncc1C1CC1)C1CCC1","InChI=1S/C22H31N7O/c30-21(16-4-1-5-16)24-11-3-10-23-20-19(15-8-9-15)13-25-22(28-20)27-17-12-26-29(14-17)18-6-2-7-18/h12-16,18H,1-11H2,(H,24,30)(H2,23,25,27,28)","WFLUXPNQSNOSDL-UHFFFAOYSA-N",null,220]
[116,"7ddd_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401913","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O2/c31-22(17-3-1-4-17)25-10-2-9-24-21-20(16-5-6-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-11-32-12-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BPUHLRZXPRJIDO-UHFFFAOYSA-N",null,280]
[117,"7ddd_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401921","Cn1ncc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C23H29N7O/c1-30-20-9-8-18(12-17(20)13-27-30)28-23-26-14-19(15-6-7-15)21(29-23)24-10-3-11-25-22(31)16-4-2-5-16/h8-9,12-16H,2-7,10-11H2,1H3,(H,25,31)(H2,24,26,28,29)","ZWBYSALZHQDDEL-UHFFFAOYSA-N",null,380]
[118,"7ddd_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401925","O=C(NCCCNc1nc(Nc2ccc(nc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C24H33N7O2/c32-23(18-3-1-4-18)26-10-2-9-25-22-20(17-5-6-17)16-28-24(30-22)29-19-7-8-21(27-15-19)31-11-13-33-14-12-31/h7-8,15-18H,1-6,9-14H2,(H,26,32)(H2,25,28,29,30)","OGBCWLLWFKPBKH-UHFFFAOYSA-N",null,490]
[119,"7ddd_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401902","CN(C)Cc1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C24H34N6O/c1-30(2)16-17-7-11-20(12-8-17)28-24-27-15-21(18-9-10-18)22(29-24)25-13-4-14-26-23(31)19-5-3-6-19/h7-8,11-12,15,18-19H,3-6,9-10,13-14,16H2,1-2H3,(H,26,31)(H2,25,27,28,29)","FVHHRIHFFRQXRD-UHFFFAOYSA-N",null,550]
[120,"7ddd_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401905","O=C(NCCCNc1nc(Nc2cccc(c2)-c2cnco2)ncc1C1CC1)C1CCC1","InChI=1S/C24H28N6O2/c31-23(17-4-1-5-17)27-11-3-10-26-22-20(16-8-9-16)13-28-24(30-22)29-19-7-2-6-18(12-19)21-14-25-15-32-21/h2,6-7,12-17H,1,3-5,8-11H2,(H,27,31)(H2,26,28,29,30)","DHEGBWHMLXDRTE-UHFFFAOYSA-N",null,560]
[121,"7ddd_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401922","O=C(NCCCNc1nc(Nc2ccc3CCN(Cc3c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C27H36N6O/c34-26(20-3-1-4-20)29-13-2-12-28-25-24(19-5-6-19)16-30-27(32-25)31-22-8-7-18-11-14-33(23-9-10-23)17-21(18)15-22/h7-8,15-16,19-20,23H,1-6,9-14,17H2,(H,29,34)(H2,28,30,31,32)","MDSQSUYVBCKIKT-UHFFFAOYSA-N",null,570]
[122,"7ddd_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401904","O=C(NCCCNc1nc(Nc2cccc(c2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-4-1-5-19)27-11-3-10-26-23-22(18-8-9-18)17-28-25(30-23)29-20-6-2-7-21(16-20)31-12-14-33-15-13-31/h2,6-7,16-19H,1,3-5,8-15H2,(H,27,32)(H2,26,28,29,30)","IBJXOEFBZCQHEA-UHFFFAOYSA-N",null,580]
[123,"7ddd_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401901","CN1CCC(CC1)c1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C27H38N6O/c1-33-16-12-20(13-17-33)19-8-10-23(11-9-19)31-27-30-18-24(21-6-7-21)25(32-27)28-14-3-15-29-26(34)22-4-2-5-22/h8-11,18,20-22H,2-7,12-17H2,1H3,(H,29,34)(H2,28,30,31,32)","KDVSDCOOYFNFIM-UHFFFAOYSA-N",null,660]
[124,"7ddd_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401926","O=C(NCCCNc1nc(Nc2cccnc2)ncc1C1CC1)C1CCC1","InChI=1S/C20H26N6O/c27-19(15-4-1-5-15)23-11-3-10-22-18-17(14-7-8-14)13-24-20(26-18)25-16-6-2-9-21-12-16/h2,6,9,12-15H,1,3-5,7-8,10-11H2,(H,23,27)(H2,22,24,25,26)","DAAZPAUBEVGXFD-UHFFFAOYSA-N",null,">1000"]
[125,"7ddd_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401924","O=C(NCCCNc1nc(Nc2ccc(CN3CCCCC3)nc2)ncc1C1CC1)C1CCC1","InChI=1S/C26H37N7O/c34-25(20-6-4-7-20)28-13-5-12-27-24-23(19-8-9-19)17-30-26(32-24)31-21-10-11-22(29-16-21)18-33-14-2-1-3-15-33/h10-11,16-17,19-20H,1-9,12-15,18H2,(H,28,34)(H2,27,30,31,32)","YMKUQCYWRPVRGE-UHFFFAOYSA-N",null,1200]
[126,"7ddd_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401906","Fc1cccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)c1","InChI=1S/C21H26FN5O/c22-16-6-2-7-17(12-16)26-21-25-13-18(14-8-9-14)19(27-21)23-10-3-11-24-20(28)15-4-1-5-15/h2,6-7,12-15H,1,3-5,8-11H2,(H,24,28)(H2,23,25,26,27)","URECOWLJWSLQCN-UHFFFAOYSA-N",null,1300]
[127,"7ddd_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401911","CC(C)N1CCC(CC1)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C26H40N8O/c1-18(2)33-13-9-22(10-14-33)34-17-21(15-30-34)31-26-29-16-23(19-7-8-19)24(32-26)27-11-4-12-28-25(35)20-5-3-6-20/h15-20,22H,3-14H2,1-2H3,(H,28,35)(H2,27,29,31,32)","MJCWEXGCJMNQGR-UHFFFAOYSA-N",null,3000]
[128,"7ddd_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401912","O=C(NCCCNc1nc(Nc2cnn(CCN3CCOCC3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H36N8O2/c33-23(19-3-1-4-19)26-8-2-7-25-22-21(18-5-6-18)16-27-24(30-22)29-20-15-28-32(17-20)10-9-31-11-13-34-14-12-31/h15-19H,1-14H2,(H,26,33)(H2,25,27,29,30)","OOXCKYWNRURMMA-UHFFFAOYSA-N",null,9000]
[129,"7ddd_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401900","O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30)","CJPMSUUANYLPET-UHFFFAOYSA-N",null,58]
[130,"7ddd_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401918","CC(C)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C21H31N7O/c1-14(2)28-13-17(11-25-28)26-21-24-12-18(15-7-8-15)19(27-21)22-9-4-10-23-20(29)16-5-3-6-16/h11-16H,3-10H2,1-2H3,(H,23,29)(H2,22,24,26,27)","MLWMBKMQVQOSSC-UHFFFAOYSA-N",null,81]
[131,"7ddd_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401903","O=C(NCCCNc1nc(Nc2cccc(Cn3cncn3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H30N8O/c33-23(19-5-2-6-19)27-11-3-10-26-22-21(18-8-9-18)13-28-24(31-22)30-20-7-1-4-17(12-20)14-32-16-25-15-29-32/h1,4,7,12-13,15-16,18-19H,2-3,5-6,8-11,14H2,(H,27,33)(H2,26,28,30,31)","GDYSINUURRPNLP-UHFFFAOYSA-N",null,88]
[132,"7ddd_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401920","Cc1nn(C)c2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C24H31N7O/c1-15-19-10-9-18(13-21(19)31(2)30-15)28-24-27-14-20(16-7-8-16)22(29-24)25-11-4-12-26-23(32)17-5-3-6-17/h9-10,13-14,16-17H,3-8,11-12H2,1-2H3,(H,26,32)(H2,25,27,28,29)","YQQIVRZPQZTHDO-UHFFFAOYSA-N",null,90]
[133,"7ddd_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401914","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O/c31-22(17-5-3-6-17)25-12-4-11-24-21-20(16-9-10-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-1-2-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BGULRIZNMKERDJ-UHFFFAOYSA-N",null,93]
[134,"7ddd_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401916","O=C(NCCCNc1nc(Nc2cnn(c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C21H29N7O/c29-20(15-3-1-4-15)23-10-2-9-22-19-18(14-5-6-14)12-24-21(27-19)26-16-11-25-28(13-16)17-7-8-17/h11-15,17H,1-10H2,(H,23,29)(H2,22,24,26,27)","PLHGRDHBKJDBAW-UHFFFAOYSA-N",null,130]
[135,"7ddd_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401917","CCn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C20H29N7O/c1-2-27-13-16(11-24-27)25-20-23-12-17(14-7-8-14)18(26-20)21-9-4-10-22-19(28)15-5-3-6-15/h11-15H,2-10H2,1H3,(H,22,28)(H2,21,23,25,26)","ATGOJZIHHQXMBT-UHFFFAOYSA-N",null,140]
[136,"7ddd_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401927","O=C(NCCCNc1nc(Nc2ccc(cc2)-n2cncn2)ncc1C1CC1)C1CCC1","InChI=1S/C23H28N8O/c32-22(17-3-1-4-17)26-12-2-11-25-21-20(16-5-6-16)13-27-23(30-21)29-18-7-9-19(10-8-18)31-15-24-14-28-31/h7-10,13-17H,1-6,11-12H2,(H,26,32)(H2,25,27,29,30)","UNJQFYGCPVIKPA-UHFFFAOYSA-N",null,150]
[137,"7ddd_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401899","Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25)","YOFJPZPGHXWQJB-UHFFFAOYSA-N",null,170]
[138,"7ddd_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401915","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCC2)ncc1C1CC1)C1CCC1","InChI=1S/C22H31N7O/c30-21(16-4-1-5-16)24-11-3-10-23-20-19(15-8-9-15)13-25-22(28-20)27-17-12-26-29(14-17)18-6-2-7-18/h12-16,18H,1-11H2,(H,24,30)(H2,23,25,27,28)","WFLUXPNQSNOSDL-UHFFFAOYSA-N",null,220]
[139,"7ddd_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401913","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O2/c31-22(17-3-1-4-17)25-10-2-9-24-21-20(16-5-6-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-11-32-12-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BPUHLRZXPRJIDO-UHFFFAOYSA-N",null,280]
[140,"7ddd_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401921","Cn1ncc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C23H29N7O/c1-30-20-9-8-18(12-17(20)13-27-30)28-23-26-14-19(15-6-7-15)21(29-23)24-10-3-11-25-22(31)16-4-2-5-16/h8-9,12-16H,2-7,10-11H2,1H3,(H,25,31)(H2,24,26,28,29)","ZWBYSALZHQDDEL-UHFFFAOYSA-N",null,380]
[141,"7ddd_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401925","O=C(NCCCNc1nc(Nc2ccc(nc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C24H33N7O2/c32-23(18-3-1-4-18)26-10-2-9-25-22-20(17-5-6-17)16-28-24(30-22)29-19-7-8-21(27-15-19)31-11-13-33-14-12-31/h7-8,15-18H,1-6,9-14H2,(H,26,32)(H2,25,28,29,30)","OGBCWLLWFKPBKH-UHFFFAOYSA-N",null,490]
[142,"7ddd_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401902","CN(C)Cc1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C24H34N6O/c1-30(2)16-17-7-11-20(12-8-17)28-24-27-15-21(18-9-10-18)22(29-24)25-13-4-14-26-23(31)19-5-3-6-19/h7-8,11-12,15,18-19H,3-6,9-10,13-14,16H2,1-2H3,(H,26,31)(H2,25,27,28,29)","FVHHRIHFFRQXRD-UHFFFAOYSA-N",null,550]
[143,"7ddd_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401905","O=C(NCCCNc1nc(Nc2cccc(c2)-c2cnco2)ncc1C1CC1)C1CCC1","InChI=1S/C24H28N6O2/c31-23(17-4-1-5-17)27-11-3-10-26-22-20(16-8-9-16)13-28-24(30-22)29-19-7-2-6-18(12-19)21-14-25-15-32-21/h2,6-7,12-17H,1,3-5,8-11H2,(H,27,31)(H2,26,28,29,30)","DHEGBWHMLXDRTE-UHFFFAOYSA-N",null,560]
[144,"7ddd_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401922","O=C(NCCCNc1nc(Nc2ccc3CCN(Cc3c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C27H36N6O/c34-26(20-3-1-4-20)29-13-2-12-28-25-24(19-5-6-19)16-30-27(32-25)31-22-8-7-18-11-14-33(23-9-10-23)17-21(18)15-22/h7-8,15-16,19-20,23H,1-6,9-14,17H2,(H,29,34)(H2,28,30,31,32)","MDSQSUYVBCKIKT-UHFFFAOYSA-N",null,570]
[145,"7ddd_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401904","O=C(NCCCNc1nc(Nc2cccc(c2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-4-1-5-19)27-11-3-10-26-23-22(18-8-9-18)17-28-25(30-23)29-20-6-2-7-21(16-20)31-12-14-33-15-13-31/h2,6-7,16-19H,1,3-5,8-15H2,(H,27,32)(H2,26,28,29,30)","IBJXOEFBZCQHEA-UHFFFAOYSA-N",null,580]
[146,"7ddd_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401901","CN1CCC(CC1)c1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C27H38N6O/c1-33-16-12-20(13-17-33)19-8-10-23(11-9-19)31-27-30-18-24(21-6-7-21)25(32-27)28-14-3-15-29-26(34)22-4-2-5-22/h8-11,18,20-22H,2-7,12-17H2,1H3,(H,29,34)(H2,28,30,31,32)","KDVSDCOOYFNFIM-UHFFFAOYSA-N",null,660]
[147,"7ddd_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401926","O=C(NCCCNc1nc(Nc2cccnc2)ncc1C1CC1)C1CCC1","InChI=1S/C20H26N6O/c27-19(15-4-1-5-15)23-11-3-10-22-18-17(14-7-8-14)13-24-20(26-18)25-16-6-2-9-21-12-16/h2,6,9,12-15H,1,3-5,7-8,10-11H2,(H,23,27)(H2,22,24,25,26)","DAAZPAUBEVGXFD-UHFFFAOYSA-N",null,">1000"]
[148,"7ddd_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401924","O=C(NCCCNc1nc(Nc2ccc(CN3CCCCC3)nc2)ncc1C1CC1)C1CCC1","InChI=1S/C26H37N7O/c34-25(20-6-4-7-20)28-13-5-12-27-24-23(19-8-9-19)17-30-26(32-24)31-21-10-11-22(29-16-21)18-33-14-2-1-3-15-33/h10-11,16-17,19-20H,1-9,12-15,18H2,(H,28,34)(H2,27,30,31,32)","YMKUQCYWRPVRGE-UHFFFAOYSA-N",null,1200]
[149,"7ddd_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401906","Fc1cccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)c1","InChI=1S/C21H26FN5O/c22-16-6-2-7-17(12-16)26-21-25-13-18(14-8-9-14)19(27-21)23-10-3-11-24-20(28)15-4-1-5-15/h2,6-7,12-15H,1,3-5,8-11H2,(H,24,28)(H2,23,25,26,27)","URECOWLJWSLQCN-UHFFFAOYSA-N",null,1300]
[150,"7ddd_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401911","CC(C)N1CCC(CC1)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C26H40N8O/c1-18(2)33-13-9-22(10-14-33)34-17-21(15-30-34)31-26-29-16-23(19-7-8-19)24(32-26)27-11-4-12-28-25(35)20-5-3-6-20/h15-20,22H,3-14H2,1-2H3,(H,28,35)(H2,27,29,31,32)","MJCWEXGCJMNQGR-UHFFFAOYSA-N",null,3000]
[151,"7ddd_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401912","O=C(NCCCNc1nc(Nc2cnn(CCN3CCOCC3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H36N8O2/c33-23(19-3-1-4-19)26-8-2-7-25-22-21(18-5-6-18)16-27-24(30-22)29-20-15-28-32(17-20)10-9-31-11-13-34-14-12-31/h15-19H,1-14H2,(H,26,33)(H2,25,27,29,30)","OOXCKYWNRURMMA-UHFFFAOYSA-N",null,9000]
[152,"6lzg_B",0.3,"Spike protein S1","Histone-lysine N-methyltransferase ASH1L","Homo sapiens","BDBM50530712","N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1cccc(c1)C(N)=O)C(O)=O","InChI=1S/C24H27N7O6/c25-15(24(35)36)7-6-13(5-4-12-2-1-3-14(8-12)21(27)34)9-16-18(32)19(33)23(37-16)31-11-30-17-20(26)28-10-29-22(17)31/h1-3,8,10-11,13,15-16,18-19,23,32-33H,6-7,9,25H2,(H2,27,34)(H,35,36)(H2,26,28,29)/t13-,15-,16+,18+,19+,23+/m0/s1","QRKSTGPKAQGBDD-GGPTZFPQSA-N"]
[153,"6lzg_B",0.3,"Spike protein S1","Histone-lysine N-methyltransferase ASH1L","Homo sapiens","BDBM50530712","N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1cccc(c1)C(N)=O)C(O)=O","InChI=1S/C24H27N7O6/c25-15(24(35)36)7-6-13(5-4-12-2-1-3-14(8-12)21(27)34)9-16-18(32)19(33)23(37-16)31-11-30-17-20(26)28-10-29-22(17)31/h1-3,8,10-11,13,15-16,18-19,23,32-33H,6-7,9,25H2,(H2,27,34)(H,35,36)(H2,26,28,29)/t13-,15-,16+,18+,19+,23+/m0/s1","QRKSTGPKAQGBDD-GGPTZFPQSA-N"]
[154,"6lzg_B",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25460","OC(=O)CS(=O)c1ccc2-c3ccccc3C(=O)c3cccc1c23","InChI=1S/C19H12O4S/c20-17(21)10-24(23)16-9-8-12-11-4-1-2-5-13(11)19(22)15-7-3-6-14(16)18(12)15/h1-9H,10H2,(H,20,21)","WUJCZHVABXHBKL-UHFFFAOYSA-N",null,null,180350,{"$nulls":3},7.5,"30.00 C"]
[155,"6lzg_B",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25462","[O-][N+](=O)c1cc2C(=O)c3ccccc3-c2cc1[N+]([O-])=O","InChI=1S/C13H6N2O5/c16-13-8-4-2-1-3-7(8)9-5-11(14(17)18)12(15(19)20)6-10(9)13/h1-6H","BTCGQAJWZRCLRP-UHFFFAOYSA-N",null,null,37110,{"$nulls":3},7.5,"30.00 C"]
[156,"6lzg_B",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25463","OC(=O)CSc1nnc2c3ccccc3c3ccccc3c2n1","InChI=1S/C17H11N3O2S/c21-14(22)9-23-17-18-15-12-7-3-1-5-10(12)11-6-2-4-8-13(11)16(15)19-20-17/h1-8H,9H2,(H,21,22)","XZGDBVGWDJBZRI-UHFFFAOYSA-N",null,null,46850,{"$nulls":3},7.5,"30.00 C"]
[157,"6lzg_B",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25464","Nc1nc(Sc2ccc([N+]([O-])=O)c3nonc23)c2[nH]cnc2n1","InChI=1S/C11H6N8O3S/c12-11-15-9-8(13-3-14-9)10(16-11)23-5-2-1-4(19(20)21)6-7(5)18-22-17-6/h1-3H,(H3,12,13,14,15,16)","NPXXCZXQTLRXTP-UHFFFAOYSA-N",null,null,15190,{"$nulls":3},7.5,"30.00 C"]
[158,"6lzg_B",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25469","[O-][N+](=O)c1ccc(Sc2cccc[n+]2[O-])c2nonc12","InChI=1S/C11H6N4O4S/c16-14-6-2-1-3-9(14)20-8-5-4-7(15(17)18)10-11(8)13-19-12-10/h1-6H","ICCFXXDUYSPKOL-UHFFFAOYSA-N",null,null,19510,{"$nulls":3},7.5,"30.00 C"]
[159,"6lzg_B",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25466","CC(=O)Nc1cc2C(=O)c3ccccc3-c2cc1[N+]([O-])=O","InChI=1S/C15H10N2O4/c1-8(18)16-13-6-12-11(7-14(13)17(20)21)9-4-2-3-5-10(9)15(12)19/h2-7H,1H3,(H,16,18)","NKZAKQSPBYLXCN-UHFFFAOYSA-N",null,null,31790,{"$nulls":3},7.5,"30.00 C"]
[160,"6lzg_B",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25467","[O-][N+](=O)c1cc2C(=O)c3ccccc3-c2c(c1)[N+]([O-])=O","InChI=1S/C13H6N2O5/c16-13-9-4-2-1-3-8(9)12-10(13)5-7(14(17)18)6-11(12)15(19)20/h1-6H","HUNDKIPOXXHMOS-UHFFFAOYSA-N",null,null,48110,{"$nulls":3},7.5,"30.00 C"]
[161,"6lzg_B",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25468","[O-][N+](=O)c1cc2C(=O)c3cc(F)ccc3-c2cc1F","InChI=1S/C13H5F2NO3/c14-6-1-2-7-8-4-11(15)12(16(18)19)5-10(8)13(17)9(7)3-6/h1-5H","DYURKAXDBWRFLK-UHFFFAOYSA-N",null,null,44590,{"$nulls":3},7.5,"30.00 C"]
[162,"6lzg_B",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM22858","[O-][N+](=O)c1ccc-2c(c1)C(=O)C(=O)c1ccccc-21","InChI=1S/C14H7NO4/c16-13-11-4-2-1-3-9(11)10-6-5-8(15(18)19)7-12(10)14(13)17/h1-7H","KNAXWOBOCVVMST-UHFFFAOYSA-N",null,null,6810,{"$nulls":3},7.5,"30.00 C"]
[163,"6lzg_B",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25465","CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@@]3(C)CC[C@H](O)C[C@]33C=C[C@]21C(C3C(O)=O)C(O)=O","InChI=1S/C25H32O6/c1-13(26)15-4-5-16-22(15,2)8-7-17-23(3)9-6-14(27)12-24(23)10-11-25(16,17)19(21(30)31)18(24)20(28)29/h7,10-11,14-16,18-19,27H,4-6,8-9,12H2,1-3H3,(H,28,29)(H,30,31)/t14-,15+,16+,18?,19?,22+,23+,24-,25-/m0/s1","NEZTUQCJKXTWFV-JIQJOFIQSA-N",null,null,127190,{"$nulls":3},7.5,"30.00 C"]
[164,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1 [Y245F]","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,5570]
[165,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1 [Y245F]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,64000]
[166,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1 [R301K]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,17000]
[167,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1 [R301K]","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,1020]
[168,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1 [R301K]","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,2160]
[169,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1 [E322A]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,45000]
[170,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1 [E322A]","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,2930]
[171,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1 [E322A]","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,1370]
[172,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1 [E177A]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,36000]
[173,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1 [D175A]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,100000]
[174,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1 [D175A]","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,3600]
[175,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1 [D175A]","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,3810]
[176,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50173286","CNC(=O)NC(N)=NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",17]
[177,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",37000,126000,{"$nulls":4},5.5,"37.00 C"]
[178,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50559069","CNC(=O)NC(=N)NCCC[C@H]1CN(C)[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(=O)N[C@H](CC(=O)N[C@H](C)C(=O)N1)C(O)=O)C(O)=O","InChI=1S/C30H45N9O9/c1-17-25(42)35-19(10-7-13-33-29(31)38-30(48)32-2)16-39(3)22(14-18-8-5-4-6-9-18)26(43)37-20(27(44)45)11-12-23(40)36-21(28(46)47)15-24(41)34-17/h4-6,8-9,17,19-22H,7,10-16H2,1-3H3,(H,34,41)(H,35,42)(H,36,40)(H,37,43)(H,44,45)(H,46,47)(H4,31,32,33,38,48)/t17-,19+,20-,21-,22+/m1/s1","DHHVTIQSEZUVAG-BLCKVISQSA-N",null,27]
[179,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,27,{"$nulls":4},5.5]
[180,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM81508","Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12","InChI=1S/C17H20N8O4/c1-20-8-18-12-10(20)14(26)24(16(28)22(12)3)6-5-7-25-15(27)11-13(19-9-21(11)2)23(4)17(25)29/h8-9H,5-7H2,1-4H3","KEPIKAFUZRKZMT-UHFFFAOYSA-N",null,200]
[181,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,500,{"$nulls":4},5.5,"37.00 C"]
[182,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,1100,{"$nulls":4},5.5,"37.00 C"]
[183,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM81341","CNC(=O)NC(N)=NCCC[C@H](NC(=O)[C@@H](C)NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(O)=O","InChI=1S/C27H40N8O9/c1-15(31-16(2)36)22(39)32-18(11-8-12-30-26(28)34-27(44)29-3)24(41)35(4)20(13-17-9-6-5-7-10-17)23(40)33-19(25(42)43)14-21(37)38/h5-7,9-10,15,18-20H,8,11-14H2,1-4H3,(H,31,36)(H,32,39)(H,33,40)(H,37,38)(H,42,43)(H4,28,29,30,34,44)/t15-,18+,19+,20+/m1/s1","SJHMDURLSNWSOY-TTYHFUOFSA-N",null,4300,{"$nulls":4},5.5]
[184,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50388141","Cn1cnc2n(C)c(=O)n(CCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12","InChI=1S/C16H18N8O4/c1-19-7-17-11-9(19)13(25)23(15(27)21(11)3)5-6-24-14(26)10-12(18-8-20(10)2)22(4)16(24)28/h7-8H,5-6H2,1-4H3","DHOOHIKQTUGDOW-UHFFFAOYSA-N",null,4800]
[185,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM81342","CNC(=O)NC(N)=NCCC[C@H](NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(O)=O","InChI=1S/C24H35N7O8/c1-14(32)28-16(10-7-11-27-23(25)30-24(39)26-2)21(36)31(3)18(12-15-8-5-4-6-9-15)20(35)29-17(22(37)38)13-19(33)34/h4-6,8-9,16-18H,7,10-13H2,1-3H3,(H,28,32)(H,29,35)(H,33,34)(H,37,38)(H4,25,26,27,30,39)/t16-,17-,18-/m0/s1","UFMHANUUWPWJKF-BZSNNMDCSA-N",null,5100,{"$nulls":4},5.5]
[186,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50388143","Cn1cnc2n(C)c(=O)n(CCCCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12","InChI=1S/C19H24N8O4/c1-22-10-20-14-12(22)16(28)26(18(30)24(14)3)8-6-5-7-9-27-17(29)13-15(21-11-23(13)2)25(4)19(27)31/h10-11H,5-9H2,1-4H3","YJGXPSISVGOKLP-UHFFFAOYSA-N",null,5700]
[187,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50388142","Cn1cnc2n(C)c(=O)n(CCCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12","InChI=1S/C18H22N8O4/c1-21-9-19-13-11(21)15(27)25(17(29)23(13)3)7-5-6-8-26-16(28)12-14(20-10-22(12)2)24(4)18(26)30/h9-10H,5-8H2,1-4H3","PXFLHKVXISJBOA-UHFFFAOYSA-N",null,9000]
[188,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50257243","CNC(=O)NC(N)=NCCC[C@H](NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(O)=O","InChI=1S/C20H30N6O5/c1-13(27)24-15(10-7-11-23-19(21)25-20(31)22-2)17(28)26(3)16(18(29)30)12-14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-12H2,1-3H3,(H,24,27)(H,29,30)(H4,21,22,23,25,31)/t15-,16-/m0/s1","NXHZAKRRBAPHDQ-HOTGVXAUSA-N",null,12000,{"$nulls":4},5.5]
[189,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM81343","CNC(=O)NC(N)=NCCC[C@H](NC(C)=O)C(=O)NC","InChI=1S/C11H22N6O3/c1-7(18)16-8(9(19)13-2)5-4-6-15-10(12)17-11(20)14-3/h8H,4-6H2,1-3H3,(H,13,19)(H,16,18)(H4,12,14,15,17,20)/t8-/m0/s1","IHUKVJKKTBLTEE-QMMMGPOBSA-N",null,81000,{"$nulls":4},5.5]
[190,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10849","Cn1cnc2n(C)c(=O)n(C)c(=O)c12","InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3","RYYVLZVUVIJVGH-UHFFFAOYSA-N",null,469000,{"$nulls":4},5.5,"37.00 C"]
[191,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50559066","CNC(=N)NC(=O)NC","InChI=1S/C4H10N4O/c1-6-3(5)8-4(9)7-2/h1-2H3,(H4,5,6,7,8,9)","KGCIDHJBLPVUNN-UHFFFAOYSA-N",null,500000]
[192,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM81344","CNC(=O)NC(N)=NC","InChI=1S/C4H10N4O/c1-6-3(5)8-4(9)7-2/h1-2H3,(H4,5,6,7,8,9)","KGCIDHJBLPVUNN-UHFFFAOYSA-N",null,500000,{"$nulls":4},5.5]
[193,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10847","Cn1c2nc[nH]c2c(=O)n(C)c1=O","InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)","ZFXYFBGIUFBOJW-UHFFFAOYSA-N",null,1500000,{"$nulls":4},5.5,"37.00 C"]
[194,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,460]
[195,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,810]
[196,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,43000]
[197,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1 [D246A]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,62000]
[198,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1 [M243A]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,18000]
[199,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1 [M243A]","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,9390]
[200,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1 [M243A]","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,1730]
[201,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1 [T138A]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,65000]
[202,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1 [T138A]","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,3040]
[203,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1 [T138A]","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,1210]
[204,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1 [A217G]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,77000]
[205,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1 [A217G]","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,2840]
[206,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1 [A217G]","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,4240]
[207,"7k8u_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401900","O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30)","CJPMSUUANYLPET-UHFFFAOYSA-N",null,58]
[208,"7k8u_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401918","CC(C)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C21H31N7O/c1-14(2)28-13-17(11-25-28)26-21-24-12-18(15-7-8-15)19(27-21)22-9-4-10-23-20(29)16-5-3-6-16/h11-16H,3-10H2,1-2H3,(H,23,29)(H2,22,24,26,27)","MLWMBKMQVQOSSC-UHFFFAOYSA-N",null,81]
[209,"7k8u_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401903","O=C(NCCCNc1nc(Nc2cccc(Cn3cncn3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H30N8O/c33-23(19-5-2-6-19)27-11-3-10-26-22-21(18-8-9-18)13-28-24(31-22)30-20-7-1-4-17(12-20)14-32-16-25-15-29-32/h1,4,7,12-13,15-16,18-19H,2-3,5-6,8-11,14H2,(H,27,33)(H2,26,28,30,31)","GDYSINUURRPNLP-UHFFFAOYSA-N",null,88]
[210,"7k8u_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401920","Cc1nn(C)c2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C24H31N7O/c1-15-19-10-9-18(13-21(19)31(2)30-15)28-24-27-14-20(16-7-8-16)22(29-24)25-11-4-12-26-23(32)17-5-3-6-17/h9-10,13-14,16-17H,3-8,11-12H2,1-2H3,(H,26,32)(H2,25,27,28,29)","YQQIVRZPQZTHDO-UHFFFAOYSA-N",null,90]
[211,"7k8u_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401914","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O/c31-22(17-5-3-6-17)25-12-4-11-24-21-20(16-9-10-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-1-2-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BGULRIZNMKERDJ-UHFFFAOYSA-N",null,93]
[212,"7k8u_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401916","O=C(NCCCNc1nc(Nc2cnn(c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C21H29N7O/c29-20(15-3-1-4-15)23-10-2-9-22-19-18(14-5-6-14)12-24-21(27-19)26-16-11-25-28(13-16)17-7-8-17/h11-15,17H,1-10H2,(H,23,29)(H2,22,24,26,27)","PLHGRDHBKJDBAW-UHFFFAOYSA-N",null,130]
[213,"7k8u_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401917","CCn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C20H29N7O/c1-2-27-13-16(11-24-27)25-20-23-12-17(14-7-8-14)18(26-20)21-9-4-10-22-19(28)15-5-3-6-15/h11-15H,2-10H2,1H3,(H,22,28)(H2,21,23,25,26)","ATGOJZIHHQXMBT-UHFFFAOYSA-N",null,140]
[214,"7k8u_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401927","O=C(NCCCNc1nc(Nc2ccc(cc2)-n2cncn2)ncc1C1CC1)C1CCC1","InChI=1S/C23H28N8O/c32-22(17-3-1-4-17)26-12-2-11-25-21-20(16-5-6-16)13-27-23(30-21)29-18-7-9-19(10-8-18)31-15-24-14-28-31/h7-10,13-17H,1-6,11-12H2,(H,26,32)(H2,25,27,29,30)","UNJQFYGCPVIKPA-UHFFFAOYSA-N",null,150]
[215,"7k8u_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401899","Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25)","YOFJPZPGHXWQJB-UHFFFAOYSA-N",null,170]
[216,"7k8u_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401915","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCC2)ncc1C1CC1)C1CCC1","InChI=1S/C22H31N7O/c30-21(16-4-1-5-16)24-11-3-10-23-20-19(15-8-9-15)13-25-22(28-20)27-17-12-26-29(14-17)18-6-2-7-18/h12-16,18H,1-11H2,(H,24,30)(H2,23,25,27,28)","WFLUXPNQSNOSDL-UHFFFAOYSA-N",null,220]
[217,"7k8u_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401913","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O2/c31-22(17-3-1-4-17)25-10-2-9-24-21-20(16-5-6-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-11-32-12-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BPUHLRZXPRJIDO-UHFFFAOYSA-N",null,280]
[218,"7k8u_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401921","Cn1ncc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C23H29N7O/c1-30-20-9-8-18(12-17(20)13-27-30)28-23-26-14-19(15-6-7-15)21(29-23)24-10-3-11-25-22(31)16-4-2-5-16/h8-9,12-16H,2-7,10-11H2,1H3,(H,25,31)(H2,24,26,28,29)","ZWBYSALZHQDDEL-UHFFFAOYSA-N",null,380]
[219,"7k8u_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401925","O=C(NCCCNc1nc(Nc2ccc(nc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C24H33N7O2/c32-23(18-3-1-4-18)26-10-2-9-25-22-20(17-5-6-17)16-28-24(30-22)29-19-7-8-21(27-15-19)31-11-13-33-14-12-31/h7-8,15-18H,1-6,9-14H2,(H,26,32)(H2,25,28,29,30)","OGBCWLLWFKPBKH-UHFFFAOYSA-N",null,490]
[220,"7k8u_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401902","CN(C)Cc1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C24H34N6O/c1-30(2)16-17-7-11-20(12-8-17)28-24-27-15-21(18-9-10-18)22(29-24)25-13-4-14-26-23(31)19-5-3-6-19/h7-8,11-12,15,18-19H,3-6,9-10,13-14,16H2,1-2H3,(H,26,31)(H2,25,27,28,29)","FVHHRIHFFRQXRD-UHFFFAOYSA-N",null,550]
[221,"7k8u_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401905","O=C(NCCCNc1nc(Nc2cccc(c2)-c2cnco2)ncc1C1CC1)C1CCC1","InChI=1S/C24H28N6O2/c31-23(17-4-1-5-17)27-11-3-10-26-22-20(16-8-9-16)13-28-24(30-22)29-19-7-2-6-18(12-19)21-14-25-15-32-21/h2,6-7,12-17H,1,3-5,8-11H2,(H,27,31)(H2,26,28,29,30)","DHEGBWHMLXDRTE-UHFFFAOYSA-N",null,560]
[222,"7k8u_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401922","O=C(NCCCNc1nc(Nc2ccc3CCN(Cc3c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C27H36N6O/c34-26(20-3-1-4-20)29-13-2-12-28-25-24(19-5-6-19)16-30-27(32-25)31-22-8-7-18-11-14-33(23-9-10-23)17-21(18)15-22/h7-8,15-16,19-20,23H,1-6,9-14,17H2,(H,29,34)(H2,28,30,31,32)","MDSQSUYVBCKIKT-UHFFFAOYSA-N",null,570]
[223,"7k8u_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401904","O=C(NCCCNc1nc(Nc2cccc(c2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-4-1-5-19)27-11-3-10-26-23-22(18-8-9-18)17-28-25(30-23)29-20-6-2-7-21(16-20)31-12-14-33-15-13-31/h2,6-7,16-19H,1,3-5,8-15H2,(H,27,32)(H2,26,28,29,30)","IBJXOEFBZCQHEA-UHFFFAOYSA-N",null,580]
[224,"7k8u_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401901","CN1CCC(CC1)c1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C27H38N6O/c1-33-16-12-20(13-17-33)19-8-10-23(11-9-19)31-27-30-18-24(21-6-7-21)25(32-27)28-14-3-15-29-26(34)22-4-2-5-22/h8-11,18,20-22H,2-7,12-17H2,1H3,(H,29,34)(H2,28,30,31,32)","KDVSDCOOYFNFIM-UHFFFAOYSA-N",null,660]
[225,"7k8u_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401926","O=C(NCCCNc1nc(Nc2cccnc2)ncc1C1CC1)C1CCC1","InChI=1S/C20H26N6O/c27-19(15-4-1-5-15)23-11-3-10-22-18-17(14-7-8-14)13-24-20(26-18)25-16-6-2-9-21-12-16/h2,6,9,12-15H,1,3-5,7-8,10-11H2,(H,23,27)(H2,22,24,25,26)","DAAZPAUBEVGXFD-UHFFFAOYSA-N",null,">1000"]
[226,"7k8u_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401924","O=C(NCCCNc1nc(Nc2ccc(CN3CCCCC3)nc2)ncc1C1CC1)C1CCC1","InChI=1S/C26H37N7O/c34-25(20-6-4-7-20)28-13-5-12-27-24-23(19-8-9-19)17-30-26(32-24)31-21-10-11-22(29-16-21)18-33-14-2-1-3-15-33/h10-11,16-17,19-20H,1-9,12-15,18H2,(H,28,34)(H2,27,30,31,32)","YMKUQCYWRPVRGE-UHFFFAOYSA-N",null,1200]
[227,"7k8u_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401906","Fc1cccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)c1","InChI=1S/C21H26FN5O/c22-16-6-2-7-17(12-16)26-21-25-13-18(14-8-9-14)19(27-21)23-10-3-11-24-20(28)15-4-1-5-15/h2,6-7,12-15H,1,3-5,8-11H2,(H,24,28)(H2,23,25,26,27)","URECOWLJWSLQCN-UHFFFAOYSA-N",null,1300]
[228,"7k8u_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401911","CC(C)N1CCC(CC1)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C26H40N8O/c1-18(2)33-13-9-22(10-14-33)34-17-21(15-30-34)31-26-29-16-23(19-7-8-19)24(32-26)27-11-4-12-28-25(35)20-5-3-6-20/h15-20,22H,3-14H2,1-2H3,(H,28,35)(H2,27,29,31,32)","MJCWEXGCJMNQGR-UHFFFAOYSA-N",null,3000]
[229,"7k8u_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401912","O=C(NCCCNc1nc(Nc2cnn(CCN3CCOCC3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H36N8O2/c33-23(19-3-1-4-19)26-8-2-7-25-22-21(18-5-6-18)16-27-24(30-22)29-20-15-28-32(17-20)10-9-31-11-13-34-14-12-31/h15-19H,1-14H2,(H,26,33)(H2,25,27,29,30)","OOXCKYWNRURMMA-UHFFFAOYSA-N",null,9000]
[230,"7jwy_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401900","O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30)","CJPMSUUANYLPET-UHFFFAOYSA-N",null,58]
[231,"7jwy_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401918","CC(C)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C21H31N7O/c1-14(2)28-13-17(11-25-28)26-21-24-12-18(15-7-8-15)19(27-21)22-9-4-10-23-20(29)16-5-3-6-16/h11-16H,3-10H2,1-2H3,(H,23,29)(H2,22,24,26,27)","MLWMBKMQVQOSSC-UHFFFAOYSA-N",null,81]
[232,"7jwy_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401903","O=C(NCCCNc1nc(Nc2cccc(Cn3cncn3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H30N8O/c33-23(19-5-2-6-19)27-11-3-10-26-22-21(18-8-9-18)13-28-24(31-22)30-20-7-1-4-17(12-20)14-32-16-25-15-29-32/h1,4,7,12-13,15-16,18-19H,2-3,5-6,8-11,14H2,(H,27,33)(H2,26,28,30,31)","GDYSINUURRPNLP-UHFFFAOYSA-N",null,88]
[233,"7jwy_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401920","Cc1nn(C)c2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C24H31N7O/c1-15-19-10-9-18(13-21(19)31(2)30-15)28-24-27-14-20(16-7-8-16)22(29-24)25-11-4-12-26-23(32)17-5-3-6-17/h9-10,13-14,16-17H,3-8,11-12H2,1-2H3,(H,26,32)(H2,25,27,28,29)","YQQIVRZPQZTHDO-UHFFFAOYSA-N",null,90]
[234,"7jwy_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401914","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O/c31-22(17-5-3-6-17)25-12-4-11-24-21-20(16-9-10-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-1-2-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BGULRIZNMKERDJ-UHFFFAOYSA-N",null,93]
[235,"7jwy_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401916","O=C(NCCCNc1nc(Nc2cnn(c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C21H29N7O/c29-20(15-3-1-4-15)23-10-2-9-22-19-18(14-5-6-14)12-24-21(27-19)26-16-11-25-28(13-16)17-7-8-17/h11-15,17H,1-10H2,(H,23,29)(H2,22,24,26,27)","PLHGRDHBKJDBAW-UHFFFAOYSA-N",null,130]
[236,"7jwy_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401917","CCn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C20H29N7O/c1-2-27-13-16(11-24-27)25-20-23-12-17(14-7-8-14)18(26-20)21-9-4-10-22-19(28)15-5-3-6-15/h11-15H,2-10H2,1H3,(H,22,28)(H2,21,23,25,26)","ATGOJZIHHQXMBT-UHFFFAOYSA-N",null,140]
[237,"7jwy_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401927","O=C(NCCCNc1nc(Nc2ccc(cc2)-n2cncn2)ncc1C1CC1)C1CCC1","InChI=1S/C23H28N8O/c32-22(17-3-1-4-17)26-12-2-11-25-21-20(16-5-6-16)13-27-23(30-21)29-18-7-9-19(10-8-18)31-15-24-14-28-31/h7-10,13-17H,1-6,11-12H2,(H,26,32)(H2,25,27,29,30)","UNJQFYGCPVIKPA-UHFFFAOYSA-N",null,150]
[238,"7jwy_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401899","Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25)","YOFJPZPGHXWQJB-UHFFFAOYSA-N",null,170]
[239,"7jwy_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401915","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCC2)ncc1C1CC1)C1CCC1","InChI=1S/C22H31N7O/c30-21(16-4-1-5-16)24-11-3-10-23-20-19(15-8-9-15)13-25-22(28-20)27-17-12-26-29(14-17)18-6-2-7-18/h12-16,18H,1-11H2,(H,24,30)(H2,23,25,27,28)","WFLUXPNQSNOSDL-UHFFFAOYSA-N",null,220]
[240,"7jwy_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401913","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O2/c31-22(17-3-1-4-17)25-10-2-9-24-21-20(16-5-6-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-11-32-12-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BPUHLRZXPRJIDO-UHFFFAOYSA-N",null,280]
[241,"7jwy_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401921","Cn1ncc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C23H29N7O/c1-30-20-9-8-18(12-17(20)13-27-30)28-23-26-14-19(15-6-7-15)21(29-23)24-10-3-11-25-22(31)16-4-2-5-16/h8-9,12-16H,2-7,10-11H2,1H3,(H,25,31)(H2,24,26,28,29)","ZWBYSALZHQDDEL-UHFFFAOYSA-N",null,380]
[242,"7jwy_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401925","O=C(NCCCNc1nc(Nc2ccc(nc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C24H33N7O2/c32-23(18-3-1-4-18)26-10-2-9-25-22-20(17-5-6-17)16-28-24(30-22)29-19-7-8-21(27-15-19)31-11-13-33-14-12-31/h7-8,15-18H,1-6,9-14H2,(H,26,32)(H2,25,28,29,30)","OGBCWLLWFKPBKH-UHFFFAOYSA-N",null,490]
[243,"7jwy_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401902","CN(C)Cc1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C24H34N6O/c1-30(2)16-17-7-11-20(12-8-17)28-24-27-15-21(18-9-10-18)22(29-24)25-13-4-14-26-23(31)19-5-3-6-19/h7-8,11-12,15,18-19H,3-6,9-10,13-14,16H2,1-2H3,(H,26,31)(H2,25,27,28,29)","FVHHRIHFFRQXRD-UHFFFAOYSA-N",null,550]
[244,"7jwy_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401905","O=C(NCCCNc1nc(Nc2cccc(c2)-c2cnco2)ncc1C1CC1)C1CCC1","InChI=1S/C24H28N6O2/c31-23(17-4-1-5-17)27-11-3-10-26-22-20(16-8-9-16)13-28-24(30-22)29-19-7-2-6-18(12-19)21-14-25-15-32-21/h2,6-7,12-17H,1,3-5,8-11H2,(H,27,31)(H2,26,28,29,30)","DHEGBWHMLXDRTE-UHFFFAOYSA-N",null,560]
[245,"7jwy_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401922","O=C(NCCCNc1nc(Nc2ccc3CCN(Cc3c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C27H36N6O/c34-26(20-3-1-4-20)29-13-2-12-28-25-24(19-5-6-19)16-30-27(32-25)31-22-8-7-18-11-14-33(23-9-10-23)17-21(18)15-22/h7-8,15-16,19-20,23H,1-6,9-14,17H2,(H,29,34)(H2,28,30,31,32)","MDSQSUYVBCKIKT-UHFFFAOYSA-N",null,570]
[246,"7jwy_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401904","O=C(NCCCNc1nc(Nc2cccc(c2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-4-1-5-19)27-11-3-10-26-23-22(18-8-9-18)17-28-25(30-23)29-20-6-2-7-21(16-20)31-12-14-33-15-13-31/h2,6-7,16-19H,1,3-5,8-15H2,(H,27,32)(H2,26,28,29,30)","IBJXOEFBZCQHEA-UHFFFAOYSA-N",null,580]
[247,"7jwy_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401901","CN1CCC(CC1)c1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C27H38N6O/c1-33-16-12-20(13-17-33)19-8-10-23(11-9-19)31-27-30-18-24(21-6-7-21)25(32-27)28-14-3-15-29-26(34)22-4-2-5-22/h8-11,18,20-22H,2-7,12-17H2,1H3,(H,29,34)(H2,28,30,31,32)","KDVSDCOOYFNFIM-UHFFFAOYSA-N",null,660]
[248,"7jwy_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401926","O=C(NCCCNc1nc(Nc2cccnc2)ncc1C1CC1)C1CCC1","InChI=1S/C20H26N6O/c27-19(15-4-1-5-15)23-11-3-10-22-18-17(14-7-8-14)13-24-20(26-18)25-16-6-2-9-21-12-16/h2,6,9,12-15H,1,3-5,7-8,10-11H2,(H,23,27)(H2,22,24,25,26)","DAAZPAUBEVGXFD-UHFFFAOYSA-N",null,">1000"]
[249,"7jwy_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401924","O=C(NCCCNc1nc(Nc2ccc(CN3CCCCC3)nc2)ncc1C1CC1)C1CCC1","InChI=1S/C26H37N7O/c34-25(20-6-4-7-20)28-13-5-12-27-24-23(19-8-9-19)17-30-26(32-24)31-21-10-11-22(29-16-21)18-33-14-2-1-3-15-33/h10-11,16-17,19-20H,1-9,12-15,18H2,(H,28,34)(H2,27,30,31,32)","YMKUQCYWRPVRGE-UHFFFAOYSA-N",null,1200]
[250,"7jwy_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401906","Fc1cccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)c1","InChI=1S/C21H26FN5O/c22-16-6-2-7-17(12-16)26-21-25-13-18(14-8-9-14)19(27-21)23-10-3-11-24-20(28)15-4-1-5-15/h2,6-7,12-15H,1,3-5,8-11H2,(H,24,28)(H2,23,25,26,27)","URECOWLJWSLQCN-UHFFFAOYSA-N",null,1300]
[251,"7jwy_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401911","CC(C)N1CCC(CC1)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C26H40N8O/c1-18(2)33-13-9-22(10-14-33)34-17-21(15-30-34)31-26-29-16-23(19-7-8-19)24(32-26)27-11-4-12-28-25(35)20-5-3-6-20/h15-20,22H,3-14H2,1-2H3,(H,28,35)(H2,27,29,31,32)","MJCWEXGCJMNQGR-UHFFFAOYSA-N",null,3000]
[252,"7jwy_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401912","O=C(NCCCNc1nc(Nc2cnn(CCN3CCOCC3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H36N8O2/c33-23(19-3-1-4-19)26-8-2-7-25-22-21(18-5-6-18)16-27-24(30-22)29-20-15-28-32(17-20)10-9-31-11-13-34-14-12-31/h15-19H,1-14H2,(H,26,33)(H2,25,27,29,30)","OOXCKYWNRURMMA-UHFFFAOYSA-N",null,9000]
[253,"7cwy_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401900","O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30)","CJPMSUUANYLPET-UHFFFAOYSA-N",null,58]
[254,"7cwy_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401918","CC(C)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C21H31N7O/c1-14(2)28-13-17(11-25-28)26-21-24-12-18(15-7-8-15)19(27-21)22-9-4-10-23-20(29)16-5-3-6-16/h11-16H,3-10H2,1-2H3,(H,23,29)(H2,22,24,26,27)","MLWMBKMQVQOSSC-UHFFFAOYSA-N",null,81]
[255,"7cwy_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401903","O=C(NCCCNc1nc(Nc2cccc(Cn3cncn3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H30N8O/c33-23(19-5-2-6-19)27-11-3-10-26-22-21(18-8-9-18)13-28-24(31-22)30-20-7-1-4-17(12-20)14-32-16-25-15-29-32/h1,4,7,12-13,15-16,18-19H,2-3,5-6,8-11,14H2,(H,27,33)(H2,26,28,30,31)","GDYSINUURRPNLP-UHFFFAOYSA-N",null,88]
[256,"7cwy_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401920","Cc1nn(C)c2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C24H31N7O/c1-15-19-10-9-18(13-21(19)31(2)30-15)28-24-27-14-20(16-7-8-16)22(29-24)25-11-4-12-26-23(32)17-5-3-6-17/h9-10,13-14,16-17H,3-8,11-12H2,1-2H3,(H,26,32)(H2,25,27,28,29)","YQQIVRZPQZTHDO-UHFFFAOYSA-N",null,90]
[257,"7cwy_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401914","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O/c31-22(17-5-3-6-17)25-12-4-11-24-21-20(16-9-10-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-1-2-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BGULRIZNMKERDJ-UHFFFAOYSA-N",null,93]
[258,"7cwy_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401916","O=C(NCCCNc1nc(Nc2cnn(c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C21H29N7O/c29-20(15-3-1-4-15)23-10-2-9-22-19-18(14-5-6-14)12-24-21(27-19)26-16-11-25-28(13-16)17-7-8-17/h11-15,17H,1-10H2,(H,23,29)(H2,22,24,26,27)","PLHGRDHBKJDBAW-UHFFFAOYSA-N",null,130]
[259,"7cwy_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401917","CCn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C20H29N7O/c1-2-27-13-16(11-24-27)25-20-23-12-17(14-7-8-14)18(26-20)21-9-4-10-22-19(28)15-5-3-6-15/h11-15H,2-10H2,1H3,(H,22,28)(H2,21,23,25,26)","ATGOJZIHHQXMBT-UHFFFAOYSA-N",null,140]
[260,"7cwy_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401927","O=C(NCCCNc1nc(Nc2ccc(cc2)-n2cncn2)ncc1C1CC1)C1CCC1","InChI=1S/C23H28N8O/c32-22(17-3-1-4-17)26-12-2-11-25-21-20(16-5-6-16)13-27-23(30-21)29-18-7-9-19(10-8-18)31-15-24-14-28-31/h7-10,13-17H,1-6,11-12H2,(H,26,32)(H2,25,27,29,30)","UNJQFYGCPVIKPA-UHFFFAOYSA-N",null,150]
[261,"7cwy_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401899","Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25)","YOFJPZPGHXWQJB-UHFFFAOYSA-N",null,170]
[262,"7cwy_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401915","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCC2)ncc1C1CC1)C1CCC1","InChI=1S/C22H31N7O/c30-21(16-4-1-5-16)24-11-3-10-23-20-19(15-8-9-15)13-25-22(28-20)27-17-12-26-29(14-17)18-6-2-7-18/h12-16,18H,1-11H2,(H,24,30)(H2,23,25,27,28)","WFLUXPNQSNOSDL-UHFFFAOYSA-N",null,220]
[263,"7cwy_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401913","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O2/c31-22(17-3-1-4-17)25-10-2-9-24-21-20(16-5-6-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-11-32-12-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BPUHLRZXPRJIDO-UHFFFAOYSA-N",null,280]
[264,"7cwy_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401921","Cn1ncc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C23H29N7O/c1-30-20-9-8-18(12-17(20)13-27-30)28-23-26-14-19(15-6-7-15)21(29-23)24-10-3-11-25-22(31)16-4-2-5-16/h8-9,12-16H,2-7,10-11H2,1H3,(H,25,31)(H2,24,26,28,29)","ZWBYSALZHQDDEL-UHFFFAOYSA-N",null,380]
[265,"7cwy_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401925","O=C(NCCCNc1nc(Nc2ccc(nc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C24H33N7O2/c32-23(18-3-1-4-18)26-10-2-9-25-22-20(17-5-6-17)16-28-24(30-22)29-19-7-8-21(27-15-19)31-11-13-33-14-12-31/h7-8,15-18H,1-6,9-14H2,(H,26,32)(H2,25,28,29,30)","OGBCWLLWFKPBKH-UHFFFAOYSA-N",null,490]
[266,"7cwy_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401902","CN(C)Cc1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C24H34N6O/c1-30(2)16-17-7-11-20(12-8-17)28-24-27-15-21(18-9-10-18)22(29-24)25-13-4-14-26-23(31)19-5-3-6-19/h7-8,11-12,15,18-19H,3-6,9-10,13-14,16H2,1-2H3,(H,26,31)(H2,25,27,28,29)","FVHHRIHFFRQXRD-UHFFFAOYSA-N",null,550]
[267,"7cwy_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401905","O=C(NCCCNc1nc(Nc2cccc(c2)-c2cnco2)ncc1C1CC1)C1CCC1","InChI=1S/C24H28N6O2/c31-23(17-4-1-5-17)27-11-3-10-26-22-20(16-8-9-16)13-28-24(30-22)29-19-7-2-6-18(12-19)21-14-25-15-32-21/h2,6-7,12-17H,1,3-5,8-11H2,(H,27,31)(H2,26,28,29,30)","DHEGBWHMLXDRTE-UHFFFAOYSA-N",null,560]
[268,"7cwy_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401922","O=C(NCCCNc1nc(Nc2ccc3CCN(Cc3c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C27H36N6O/c34-26(20-3-1-4-20)29-13-2-12-28-25-24(19-5-6-19)16-30-27(32-25)31-22-8-7-18-11-14-33(23-9-10-23)17-21(18)15-22/h7-8,15-16,19-20,23H,1-6,9-14,17H2,(H,29,34)(H2,28,30,31,32)","MDSQSUYVBCKIKT-UHFFFAOYSA-N",null,570]
[269,"7cwy_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401904","O=C(NCCCNc1nc(Nc2cccc(c2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-4-1-5-19)27-11-3-10-26-23-22(18-8-9-18)17-28-25(30-23)29-20-6-2-7-21(16-20)31-12-14-33-15-13-31/h2,6-7,16-19H,1,3-5,8-15H2,(H,27,32)(H2,26,28,29,30)","IBJXOEFBZCQHEA-UHFFFAOYSA-N",null,580]
[270,"7cwy_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401901","CN1CCC(CC1)c1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C27H38N6O/c1-33-16-12-20(13-17-33)19-8-10-23(11-9-19)31-27-30-18-24(21-6-7-21)25(32-27)28-14-3-15-29-26(34)22-4-2-5-22/h8-11,18,20-22H,2-7,12-17H2,1H3,(H,29,34)(H2,28,30,31,32)","KDVSDCOOYFNFIM-UHFFFAOYSA-N",null,660]
[271,"7cwy_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401926","O=C(NCCCNc1nc(Nc2cccnc2)ncc1C1CC1)C1CCC1","InChI=1S/C20H26N6O/c27-19(15-4-1-5-15)23-11-3-10-22-18-17(14-7-8-14)13-24-20(26-18)25-16-6-2-9-21-12-16/h2,6,9,12-15H,1,3-5,7-8,10-11H2,(H,23,27)(H2,22,24,25,26)","DAAZPAUBEVGXFD-UHFFFAOYSA-N",null,">1000"]
[272,"7cwy_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401924","O=C(NCCCNc1nc(Nc2ccc(CN3CCCCC3)nc2)ncc1C1CC1)C1CCC1","InChI=1S/C26H37N7O/c34-25(20-6-4-7-20)28-13-5-12-27-24-23(19-8-9-19)17-30-26(32-24)31-21-10-11-22(29-16-21)18-33-14-2-1-3-15-33/h10-11,16-17,19-20H,1-9,12-15,18H2,(H,28,34)(H2,27,30,31,32)","YMKUQCYWRPVRGE-UHFFFAOYSA-N",null,1200]
[273,"7cwy_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401906","Fc1cccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)c1","InChI=1S/C21H26FN5O/c22-16-6-2-7-17(12-16)26-21-25-13-18(14-8-9-14)19(27-21)23-10-3-11-24-20(28)15-4-1-5-15/h2,6-7,12-15H,1,3-5,8-11H2,(H,24,28)(H2,23,25,26,27)","URECOWLJWSLQCN-UHFFFAOYSA-N",null,1300]
[274,"7cwy_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401911","CC(C)N1CCC(CC1)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C26H40N8O/c1-18(2)33-13-9-22(10-14-33)34-17-21(15-30-34)31-26-29-16-23(19-7-8-19)24(32-26)27-11-4-12-28-25(35)20-5-3-6-20/h15-20,22H,3-14H2,1-2H3,(H,28,35)(H2,27,29,31,32)","MJCWEXGCJMNQGR-UHFFFAOYSA-N",null,3000]
[275,"7cwy_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401912","O=C(NCCCNc1nc(Nc2cnn(CCN3CCOCC3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H36N8O2/c33-23(19-3-1-4-19)26-8-2-7-25-22-21(18-5-6-18)16-27-24(30-22)29-20-15-28-32(17-20)10-9-31-11-13-34-14-12-31/h15-19H,1-14H2,(H,26,33)(H2,25,27,29,30)","OOXCKYWNRURMMA-UHFFFAOYSA-N",null,9000]
[276,"7k8x_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401900","O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30)","CJPMSUUANYLPET-UHFFFAOYSA-N",null,58]
[277,"7k8x_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401918","CC(C)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C21H31N7O/c1-14(2)28-13-17(11-25-28)26-21-24-12-18(15-7-8-15)19(27-21)22-9-4-10-23-20(29)16-5-3-6-16/h11-16H,3-10H2,1-2H3,(H,23,29)(H2,22,24,26,27)","MLWMBKMQVQOSSC-UHFFFAOYSA-N",null,81]
[278,"7k8x_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401903","O=C(NCCCNc1nc(Nc2cccc(Cn3cncn3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H30N8O/c33-23(19-5-2-6-19)27-11-3-10-26-22-21(18-8-9-18)13-28-24(31-22)30-20-7-1-4-17(12-20)14-32-16-25-15-29-32/h1,4,7,12-13,15-16,18-19H,2-3,5-6,8-11,14H2,(H,27,33)(H2,26,28,30,31)","GDYSINUURRPNLP-UHFFFAOYSA-N",null,88]
[279,"7k8x_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401920","Cc1nn(C)c2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C24H31N7O/c1-15-19-10-9-18(13-21(19)31(2)30-15)28-24-27-14-20(16-7-8-16)22(29-24)25-11-4-12-26-23(32)17-5-3-6-17/h9-10,13-14,16-17H,3-8,11-12H2,1-2H3,(H,26,32)(H2,25,27,28,29)","YQQIVRZPQZTHDO-UHFFFAOYSA-N",null,90]
[280,"7k8x_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401914","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O/c31-22(17-5-3-6-17)25-12-4-11-24-21-20(16-9-10-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-1-2-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BGULRIZNMKERDJ-UHFFFAOYSA-N",null,93]
[281,"7k8x_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401916","O=C(NCCCNc1nc(Nc2cnn(c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C21H29N7O/c29-20(15-3-1-4-15)23-10-2-9-22-19-18(14-5-6-14)12-24-21(27-19)26-16-11-25-28(13-16)17-7-8-17/h11-15,17H,1-10H2,(H,23,29)(H2,22,24,26,27)","PLHGRDHBKJDBAW-UHFFFAOYSA-N",null,130]
[282,"7k8x_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401917","CCn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C20H29N7O/c1-2-27-13-16(11-24-27)25-20-23-12-17(14-7-8-14)18(26-20)21-9-4-10-22-19(28)15-5-3-6-15/h11-15H,2-10H2,1H3,(H,22,28)(H2,21,23,25,26)","ATGOJZIHHQXMBT-UHFFFAOYSA-N",null,140]
[283,"7k8x_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401927","O=C(NCCCNc1nc(Nc2ccc(cc2)-n2cncn2)ncc1C1CC1)C1CCC1","InChI=1S/C23H28N8O/c32-22(17-3-1-4-17)26-12-2-11-25-21-20(16-5-6-16)13-27-23(30-21)29-18-7-9-19(10-8-18)31-15-24-14-28-31/h7-10,13-17H,1-6,11-12H2,(H,26,32)(H2,25,27,29,30)","UNJQFYGCPVIKPA-UHFFFAOYSA-N",null,150]
[284,"7k8x_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401899","Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25)","YOFJPZPGHXWQJB-UHFFFAOYSA-N",null,170]
[285,"7k8x_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401915","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCC2)ncc1C1CC1)C1CCC1","InChI=1S/C22H31N7O/c30-21(16-4-1-5-16)24-11-3-10-23-20-19(15-8-9-15)13-25-22(28-20)27-17-12-26-29(14-17)18-6-2-7-18/h12-16,18H,1-11H2,(H,24,30)(H2,23,25,27,28)","WFLUXPNQSNOSDL-UHFFFAOYSA-N",null,220]
[286,"7k8x_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401913","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O2/c31-22(17-3-1-4-17)25-10-2-9-24-21-20(16-5-6-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-11-32-12-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BPUHLRZXPRJIDO-UHFFFAOYSA-N",null,280]
[287,"7k8x_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401921","Cn1ncc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C23H29N7O/c1-30-20-9-8-18(12-17(20)13-27-30)28-23-26-14-19(15-6-7-15)21(29-23)24-10-3-11-25-22(31)16-4-2-5-16/h8-9,12-16H,2-7,10-11H2,1H3,(H,25,31)(H2,24,26,28,29)","ZWBYSALZHQDDEL-UHFFFAOYSA-N",null,380]
[288,"7k8x_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401925","O=C(NCCCNc1nc(Nc2ccc(nc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C24H33N7O2/c32-23(18-3-1-4-18)26-10-2-9-25-22-20(17-5-6-17)16-28-24(30-22)29-19-7-8-21(27-15-19)31-11-13-33-14-12-31/h7-8,15-18H,1-6,9-14H2,(H,26,32)(H2,25,28,29,30)","OGBCWLLWFKPBKH-UHFFFAOYSA-N",null,490]
[289,"7k8x_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401902","CN(C)Cc1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C24H34N6O/c1-30(2)16-17-7-11-20(12-8-17)28-24-27-15-21(18-9-10-18)22(29-24)25-13-4-14-26-23(31)19-5-3-6-19/h7-8,11-12,15,18-19H,3-6,9-10,13-14,16H2,1-2H3,(H,26,31)(H2,25,27,28,29)","FVHHRIHFFRQXRD-UHFFFAOYSA-N",null,550]
[290,"7k8x_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401905","O=C(NCCCNc1nc(Nc2cccc(c2)-c2cnco2)ncc1C1CC1)C1CCC1","InChI=1S/C24H28N6O2/c31-23(17-4-1-5-17)27-11-3-10-26-22-20(16-8-9-16)13-28-24(30-22)29-19-7-2-6-18(12-19)21-14-25-15-32-21/h2,6-7,12-17H,1,3-5,8-11H2,(H,27,31)(H2,26,28,29,30)","DHEGBWHMLXDRTE-UHFFFAOYSA-N",null,560]
[291,"7k8x_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401922","O=C(NCCCNc1nc(Nc2ccc3CCN(Cc3c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C27H36N6O/c34-26(20-3-1-4-20)29-13-2-12-28-25-24(19-5-6-19)16-30-27(32-25)31-22-8-7-18-11-14-33(23-9-10-23)17-21(18)15-22/h7-8,15-16,19-20,23H,1-6,9-14,17H2,(H,29,34)(H2,28,30,31,32)","MDSQSUYVBCKIKT-UHFFFAOYSA-N",null,570]
[292,"7k8x_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401904","O=C(NCCCNc1nc(Nc2cccc(c2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-4-1-5-19)27-11-3-10-26-23-22(18-8-9-18)17-28-25(30-23)29-20-6-2-7-21(16-20)31-12-14-33-15-13-31/h2,6-7,16-19H,1,3-5,8-15H2,(H,27,32)(H2,26,28,29,30)","IBJXOEFBZCQHEA-UHFFFAOYSA-N",null,580]
[293,"7k8x_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401901","CN1CCC(CC1)c1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C27H38N6O/c1-33-16-12-20(13-17-33)19-8-10-23(11-9-19)31-27-30-18-24(21-6-7-21)25(32-27)28-14-3-15-29-26(34)22-4-2-5-22/h8-11,18,20-22H,2-7,12-17H2,1H3,(H,29,34)(H2,28,30,31,32)","KDVSDCOOYFNFIM-UHFFFAOYSA-N",null,660]
[294,"7k8x_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401926","O=C(NCCCNc1nc(Nc2cccnc2)ncc1C1CC1)C1CCC1","InChI=1S/C20H26N6O/c27-19(15-4-1-5-15)23-11-3-10-22-18-17(14-7-8-14)13-24-20(26-18)25-16-6-2-9-21-12-16/h2,6,9,12-15H,1,3-5,7-8,10-11H2,(H,23,27)(H2,22,24,25,26)","DAAZPAUBEVGXFD-UHFFFAOYSA-N",null,">1000"]
[295,"7k8x_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401924","O=C(NCCCNc1nc(Nc2ccc(CN3CCCCC3)nc2)ncc1C1CC1)C1CCC1","InChI=1S/C26H37N7O/c34-25(20-6-4-7-20)28-13-5-12-27-24-23(19-8-9-19)17-30-26(32-24)31-21-10-11-22(29-16-21)18-33-14-2-1-3-15-33/h10-11,16-17,19-20H,1-9,12-15,18H2,(H,28,34)(H2,27,30,31,32)","YMKUQCYWRPVRGE-UHFFFAOYSA-N",null,1200]
[296,"7k8x_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401906","Fc1cccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)c1","InChI=1S/C21H26FN5O/c22-16-6-2-7-17(12-16)26-21-25-13-18(14-8-9-14)19(27-21)23-10-3-11-24-20(28)15-4-1-5-15/h2,6-7,12-15H,1,3-5,8-11H2,(H,24,28)(H2,23,25,26,27)","URECOWLJWSLQCN-UHFFFAOYSA-N",null,1300]
[297,"7k8x_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401911","CC(C)N1CCC(CC1)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C26H40N8O/c1-18(2)33-13-9-22(10-14-33)34-17-21(15-30-34)31-26-29-16-23(19-7-8-19)24(32-26)27-11-4-12-28-25(35)20-5-3-6-20/h15-20,22H,3-14H2,1-2H3,(H,28,35)(H2,27,29,31,32)","MJCWEXGCJMNQGR-UHFFFAOYSA-N",null,3000]
[298,"7k8x_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401912","O=C(NCCCNc1nc(Nc2cnn(CCN3CCOCC3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H36N8O2/c33-23(19-3-1-4-19)26-8-2-7-25-22-21(18-5-6-18)16-27-24(30-22)29-20-15-28-32(17-20)10-9-31-11-13-34-14-12-31/h15-19H,1-14H2,(H,26,33)(H2,25,27,29,30)","OOXCKYWNRURMMA-UHFFFAOYSA-N",null,9000]
[299,"7l58_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401900","O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30)","CJPMSUUANYLPET-UHFFFAOYSA-N",null,58]
[300,"7l58_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401918","CC(C)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C21H31N7O/c1-14(2)28-13-17(11-25-28)26-21-24-12-18(15-7-8-15)19(27-21)22-9-4-10-23-20(29)16-5-3-6-16/h11-16H,3-10H2,1-2H3,(H,23,29)(H2,22,24,26,27)","MLWMBKMQVQOSSC-UHFFFAOYSA-N",null,81]
[301,"7l58_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401903","O=C(NCCCNc1nc(Nc2cccc(Cn3cncn3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H30N8O/c33-23(19-5-2-6-19)27-11-3-10-26-22-21(18-8-9-18)13-28-24(31-22)30-20-7-1-4-17(12-20)14-32-16-25-15-29-32/h1,4,7,12-13,15-16,18-19H,2-3,5-6,8-11,14H2,(H,27,33)(H2,26,28,30,31)","GDYSINUURRPNLP-UHFFFAOYSA-N",null,88]
[302,"7l58_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401920","Cc1nn(C)c2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C24H31N7O/c1-15-19-10-9-18(13-21(19)31(2)30-15)28-24-27-14-20(16-7-8-16)22(29-24)25-11-4-12-26-23(32)17-5-3-6-17/h9-10,13-14,16-17H,3-8,11-12H2,1-2H3,(H,26,32)(H2,25,27,28,29)","YQQIVRZPQZTHDO-UHFFFAOYSA-N",null,90]
[303,"7l58_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401914","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O/c31-22(17-5-3-6-17)25-12-4-11-24-21-20(16-9-10-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-1-2-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BGULRIZNMKERDJ-UHFFFAOYSA-N",null,93]
[304,"7l58_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401916","O=C(NCCCNc1nc(Nc2cnn(c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C21H29N7O/c29-20(15-3-1-4-15)23-10-2-9-22-19-18(14-5-6-14)12-24-21(27-19)26-16-11-25-28(13-16)17-7-8-17/h11-15,17H,1-10H2,(H,23,29)(H2,22,24,26,27)","PLHGRDHBKJDBAW-UHFFFAOYSA-N",null,130]
[305,"7l58_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401917","CCn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C20H29N7O/c1-2-27-13-16(11-24-27)25-20-23-12-17(14-7-8-14)18(26-20)21-9-4-10-22-19(28)15-5-3-6-15/h11-15H,2-10H2,1H3,(H,22,28)(H2,21,23,25,26)","ATGOJZIHHQXMBT-UHFFFAOYSA-N",null,140]
[306,"7l58_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401927","O=C(NCCCNc1nc(Nc2ccc(cc2)-n2cncn2)ncc1C1CC1)C1CCC1","InChI=1S/C23H28N8O/c32-22(17-3-1-4-17)26-12-2-11-25-21-20(16-5-6-16)13-27-23(30-21)29-18-7-9-19(10-8-18)31-15-24-14-28-31/h7-10,13-17H,1-6,11-12H2,(H,26,32)(H2,25,27,29,30)","UNJQFYGCPVIKPA-UHFFFAOYSA-N",null,150]
[307,"7l58_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401899","Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25)","YOFJPZPGHXWQJB-UHFFFAOYSA-N",null,170]
[308,"7l58_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401915","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCC2)ncc1C1CC1)C1CCC1","InChI=1S/C22H31N7O/c30-21(16-4-1-5-16)24-11-3-10-23-20-19(15-8-9-15)13-25-22(28-20)27-17-12-26-29(14-17)18-6-2-7-18/h12-16,18H,1-11H2,(H,24,30)(H2,23,25,27,28)","WFLUXPNQSNOSDL-UHFFFAOYSA-N",null,220]
[309,"7l58_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401913","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O2/c31-22(17-3-1-4-17)25-10-2-9-24-21-20(16-5-6-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-11-32-12-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BPUHLRZXPRJIDO-UHFFFAOYSA-N",null,280]
[310,"7l58_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401921","Cn1ncc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C23H29N7O/c1-30-20-9-8-18(12-17(20)13-27-30)28-23-26-14-19(15-6-7-15)21(29-23)24-10-3-11-25-22(31)16-4-2-5-16/h8-9,12-16H,2-7,10-11H2,1H3,(H,25,31)(H2,24,26,28,29)","ZWBYSALZHQDDEL-UHFFFAOYSA-N",null,380]
[311,"7l58_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401925","O=C(NCCCNc1nc(Nc2ccc(nc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C24H33N7O2/c32-23(18-3-1-4-18)26-10-2-9-25-22-20(17-5-6-17)16-28-24(30-22)29-19-7-8-21(27-15-19)31-11-13-33-14-12-31/h7-8,15-18H,1-6,9-14H2,(H,26,32)(H2,25,28,29,30)","OGBCWLLWFKPBKH-UHFFFAOYSA-N",null,490]
[312,"7l58_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401902","CN(C)Cc1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C24H34N6O/c1-30(2)16-17-7-11-20(12-8-17)28-24-27-15-21(18-9-10-18)22(29-24)25-13-4-14-26-23(31)19-5-3-6-19/h7-8,11-12,15,18-19H,3-6,9-10,13-14,16H2,1-2H3,(H,26,31)(H2,25,27,28,29)","FVHHRIHFFRQXRD-UHFFFAOYSA-N",null,550]
[313,"7l58_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401905","O=C(NCCCNc1nc(Nc2cccc(c2)-c2cnco2)ncc1C1CC1)C1CCC1","InChI=1S/C24H28N6O2/c31-23(17-4-1-5-17)27-11-3-10-26-22-20(16-8-9-16)13-28-24(30-22)29-19-7-2-6-18(12-19)21-14-25-15-32-21/h2,6-7,12-17H,1,3-5,8-11H2,(H,27,31)(H2,26,28,29,30)","DHEGBWHMLXDRTE-UHFFFAOYSA-N",null,560]
[314,"7l58_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401922","O=C(NCCCNc1nc(Nc2ccc3CCN(Cc3c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C27H36N6O/c34-26(20-3-1-4-20)29-13-2-12-28-25-24(19-5-6-19)16-30-27(32-25)31-22-8-7-18-11-14-33(23-9-10-23)17-21(18)15-22/h7-8,15-16,19-20,23H,1-6,9-14,17H2,(H,29,34)(H2,28,30,31,32)","MDSQSUYVBCKIKT-UHFFFAOYSA-N",null,570]
[315,"7l58_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401904","O=C(NCCCNc1nc(Nc2cccc(c2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-4-1-5-19)27-11-3-10-26-23-22(18-8-9-18)17-28-25(30-23)29-20-6-2-7-21(16-20)31-12-14-33-15-13-31/h2,6-7,16-19H,1,3-5,8-15H2,(H,27,32)(H2,26,28,29,30)","IBJXOEFBZCQHEA-UHFFFAOYSA-N",null,580]
[316,"7l58_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401901","CN1CCC(CC1)c1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C27H38N6O/c1-33-16-12-20(13-17-33)19-8-10-23(11-9-19)31-27-30-18-24(21-6-7-21)25(32-27)28-14-3-15-29-26(34)22-4-2-5-22/h8-11,18,20-22H,2-7,12-17H2,1H3,(H,29,34)(H2,28,30,31,32)","KDVSDCOOYFNFIM-UHFFFAOYSA-N",null,660]
[317,"7l58_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401926","O=C(NCCCNc1nc(Nc2cccnc2)ncc1C1CC1)C1CCC1","InChI=1S/C20H26N6O/c27-19(15-4-1-5-15)23-11-3-10-22-18-17(14-7-8-14)13-24-20(26-18)25-16-6-2-9-21-12-16/h2,6,9,12-15H,1,3-5,7-8,10-11H2,(H,23,27)(H2,22,24,25,26)","DAAZPAUBEVGXFD-UHFFFAOYSA-N",null,">1000"]
[318,"7l58_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401924","O=C(NCCCNc1nc(Nc2ccc(CN3CCCCC3)nc2)ncc1C1CC1)C1CCC1","InChI=1S/C26H37N7O/c34-25(20-6-4-7-20)28-13-5-12-27-24-23(19-8-9-19)17-30-26(32-24)31-21-10-11-22(29-16-21)18-33-14-2-1-3-15-33/h10-11,16-17,19-20H,1-9,12-15,18H2,(H,28,34)(H2,27,30,31,32)","YMKUQCYWRPVRGE-UHFFFAOYSA-N",null,1200]
[319,"7l58_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401906","Fc1cccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)c1","InChI=1S/C21H26FN5O/c22-16-6-2-7-17(12-16)26-21-25-13-18(14-8-9-14)19(27-21)23-10-3-11-24-20(28)15-4-1-5-15/h2,6-7,12-15H,1,3-5,8-11H2,(H,24,28)(H2,23,25,26,27)","URECOWLJWSLQCN-UHFFFAOYSA-N",null,1300]
[320,"7l58_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401911","CC(C)N1CCC(CC1)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C26H40N8O/c1-18(2)33-13-9-22(10-14-33)34-17-21(15-30-34)31-26-29-16-23(19-7-8-19)24(32-26)27-11-4-12-28-25(35)20-5-3-6-20/h15-20,22H,3-14H2,1-2H3,(H,28,35)(H2,27,29,31,32)","MJCWEXGCJMNQGR-UHFFFAOYSA-N",null,3000]
[321,"7l58_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401912","O=C(NCCCNc1nc(Nc2cnn(CCN3CCOCC3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H36N8O2/c33-23(19-3-1-4-19)26-8-2-7-25-22-21(18-5-6-18)16-27-24(30-22)29-20-15-28-32(17-20)10-9-31-11-13-34-14-12-31/h15-19H,1-14H2,(H,26,33)(H2,25,27,29,30)","OOXCKYWNRURMMA-UHFFFAOYSA-N",null,9000]
[322,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575780","Cn1cncc1-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O","InChI=1S/C20H28FN4O4P/c1-24-14-23-11-18(24)17-10-16(21)5-4-15(17)12-25-8-9-30(28,29)20(13-25,19(26)27)6-2-3-7-22/h4-5,10-11,14H,2-3,6-9,12-13,22H2,1H3,(H,26,27)(H,28,29)/t20-/m0/s1","ZBWZIBATIOSFOY-FQEVSTJZSA-N",0.75]
[323,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305346","NCCO[C@@H](Cc1cn(cn1)-c1ccccc1)C(O)=O","InChI=1S/C14H17N3O3/c15-6-7-20-13(14(18)19)8-11-9-17(10-16-11)12-4-2-1-3-5-12/h1-5,9-10,13H,6-8,15H2,(H,18,19)/t13-/m0/s1","LVCATUGNENEDGZ-ZDUSSCGKSA-N",3.5]
[324,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201438","NC(N)=NCCCC(CS)C(O)=O","InChI=1S/C7H15N3O2S/c8-7(9)10-3-1-2-5(4-13)6(11)12/h5,13H,1-4H2,(H,11,12)(H4,8,9,10)","JOVIPJZDTSYNNW-UHFFFAOYSA-N",4]
[325,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305347","CC(C)(C)c1ccc(cc1)-n1cnc(C[C@H](OCCN)C(O)=O)c1","InChI=1S/C18H25N3O3/c1-18(2,3)13-4-6-15(7-5-13)21-11-14(20-12-21)10-16(17(22)23)24-9-8-19/h4-7,11-12,16H,8-10,19H2,1-3H3,(H,22,23)/t16-/m0/s1","JVLMBIHTJZKJHM-INIZCTEOSA-N",5.7]
[326,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305351","C[C@H](CN)O[C@@H](Cc1cn(cn1)-c1ccccn1)C(O)=O","InChI=1S/C14H18N4O3/c1-10(7-15)21-12(14(19)20)6-11-8-18(9-17-11)13-4-2-3-5-16-13/h2-5,8-10,12H,6-7,15H2,1H3,(H,19,20)/t10-,12+/m1/s1","QOJWERXDJOWTNM-PWSUYJOCSA-N",5.8]
[327,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305345","CCCn1cnc(C[C@H](OCCN)C(O)=O)c1","InChI=1S/C11H19N3O3/c1-2-4-14-7-9(13-8-14)6-10(11(15)16)17-5-3-12/h7-8,10H,2-6,12H2,1H3,(H,15,16)/t10-/m0/s1","JAMWMFGAEKLEEJ-JTQLQIEISA-N",6.7]
[328,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305352","C[C@H](CN)O[C@@H](Cc1cn(cn1)-c1ccccc1)C(O)=O","InChI=1S/C15H19N3O3/c1-11(8-16)21-14(15(19)20)7-12-9-18(10-17-12)13-5-3-2-4-6-13/h2-6,9-11,14H,7-8,16H2,1H3,(H,19,20)/t11-,14+/m1/s1","MAWYISWEMHTKMO-RISCZKNCSA-N",7.5]
[329,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305348","NCCO[C@@H](Cc1cn(CCC2CCCCC2)cn1)C(O)=O","InChI=1S/C16H27N3O3/c17-7-9-22-15(16(20)21)10-14-11-19(12-18-14)8-6-13-4-2-1-3-5-13/h11-13,15H,1-10,17H2,(H,20,21)/t15-/m0/s1","VAABNDTVXFVLFU-HNNXBMFYSA-N",8.2]
[330,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226610","CCCn1cnc(C[C@H](CCCN)C(O)=O)c1","InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s1","OTDGPKRCQXSTPV-JTQLQIEISA-N",10]
[331,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305349","CCCCn1cnc(CC(OCCN)C(O)=O)c1","InChI=1S/C12H21N3O3/c1-2-3-5-15-8-10(14-9-15)7-11(12(16)17)18-6-4-13/h8-9,11H,2-7,13H2,1H3,(H,16,17)","OKKIGEKMWNYVMZ-UHFFFAOYSA-N",15]
[332,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226610","CCCn1cnc(C[C@H](CCCN)C(O)=O)c1","InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s1","OTDGPKRCQXSTPV-JTQLQIEISA-N",16]
[333,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226605","CCCn1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)","OTDGPKRCQXSTPV-UHFFFAOYSA-N",46]
[334,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305350","Cc1ccccc1-n1cnc(CC(OCCN)C(O)=O)c1","InChI=1S/C15H19N3O3/c1-11-4-2-3-5-13(11)18-9-12(17-10-18)8-14(15(19)20)21-7-6-16/h2-5,9-10,14H,6-8,16H2,1H3,(H,19,20)","WUAXKGSLSYPFBN-UHFFFAOYSA-N",65]
[335,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226598","CCCCn1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C12H22N4O2/c1-2-3-6-16-8-10(15-9-16)7-11(12(17)18)14-5-4-13/h8-9,11,14H,2-7,13H2,1H3,(H,17,18)/t11-/m0/s1","LLJMTPSWZYCMHR-NSHDSACASA-N",70]
[336,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226606","CCCn1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C11H20N4O2/c1-2-5-15-7-9(14-8-15)6-10(11(16)17)13-4-3-12/h7-8,10,13H,2-6,12H2,1H3,(H,16,17)/t10-/m0/s1","UVTMXVBQOPVNHA-JTQLQIEISA-N",84]
[337,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226597","CC(C)Cn1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C12H22N4O2/c1-9(2)6-16-7-10(15-8-16)5-11(12(17)18)14-4-3-13/h7-9,11,14H,3-6,13H2,1-2H3,(H,17,18)/t11-/m0/s1","MLBDFQDXKAYTON-NSHDSACASA-N",100]
[338,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226611","NCCN[C@@H](Cc1cn(CCCO)cn1)C(O)=O","InChI=1S/C11H20N4O3/c12-2-3-13-10(11(17)18)6-9-7-15(8-14-9)4-1-5-16/h7-8,10,13,16H,1-6,12H2,(H,17,18)/t10-/m0/s1","RCYDGVHMVIQVSF-JTQLQIEISA-N",111]
[339,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226614","NCCN[C@@H](Cc1cn(CC2CCC2)cn1)C(O)=O","InChI=1S/C13H22N4O2/c14-4-5-15-12(13(18)19)6-11-8-17(9-16-11)7-10-2-1-3-10/h8-10,12,15H,1-7,14H2,(H,18,19)/t12-/m0/s1","BYGNYBXYEDTEJQ-LBPRGKRZSA-N",124]
[340,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226613","NCCN[C@@H](Cc1cn(CCc2ccccc2)cn1)C(O)=O","InChI=1S/C16H22N4O2/c17-7-8-18-15(16(21)22)10-14-11-20(12-19-14)9-6-13-4-2-1-3-5-13/h1-5,11-12,15,18H,6-10,17H2,(H,21,22)/t15-/m0/s1","KIBISFXBVFKORC-HNNXBMFYSA-N",140]
[341,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226607","NCCCC(Cc1cnc[nH]1)C(O)=O","InChI=1S/C9H15N3O2/c10-3-1-2-7(9(13)14)4-8-5-11-6-12-8/h5-7H,1-4,10H2,(H,11,12)(H,13,14)","BJQWDKXNACRDDN-UHFFFAOYSA-N",140]
[342,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226606","CCCn1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C11H20N4O2/c1-2-5-15-7-9(14-8-15)6-10(11(16)17)13-4-3-12/h7-8,10,13H,2-6,12H2,1H3,(H,16,17)/t10-/m0/s1","UVTMXVBQOPVNHA-JTQLQIEISA-N",150]
[343,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226602","CCCCCn1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C13H24N4O2/c1-2-3-4-7-17-9-11(16-10-17)8-12(13(18)19)15-6-5-14/h9-10,12,15H,2-8,14H2,1H3,(H,18,19)/t12-/m0/s1","IIHFQOHRJWWSRA-LBPRGKRZSA-N",160]
[344,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226601","Cn1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C9H16N4O2/c1-13-5-7(12-6-13)4-8(9(14)15)11-3-2-10/h5-6,8,11H,2-4,10H2,1H3,(H,14,15)/t8-/m0/s1","ZIGWTNNVVANKME-QMMMGPOBSA-N",235]
[345,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226599","CCn1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C10H18N4O2/c1-2-14-6-8(13-7-14)5-9(10(15)16)12-4-3-11/h6-7,9,12H,2-5,11H2,1H3,(H,15,16)/t9-/m0/s1","RVUXHJZTETWWDB-VIFPVBQESA-N",250]
[346,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226608","NCCN[C@@H](Cc1cn(Cc2ccccc2)cn1)C(O)=O","InChI=1S/C15H20N4O2/c16-6-7-17-14(15(20)21)8-13-10-19(11-18-13)9-12-4-2-1-3-5-12/h1-5,10-11,14,17H,6-9,16H2,(H,20,21)/t14-/m0/s1","RZHAWQYSDSVTHN-AWEZNQCLSA-N",269]
[347,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226603","NCCCC(CS)C(O)=O","InChI=1S/C6H13NO2S/c7-3-1-2-5(4-10)6(8)9/h5,10H,1-4,7H2,(H,8,9)","IKYCTNVIQZAWIB-UHFFFAOYSA-N",300]
[348,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226600","NCCN[C@@H](Cc1cnc[nH]1)C(O)=O","InChI=1S/C8H14N4O2/c9-1-2-11-7(8(13)14)3-6-4-10-5-12-6/h4-5,7,11H,1-3,9H2,(H,10,12)(H,13,14)/t7-/m0/s1","HRGIXOAUBWGTCB-ZETCQYMHSA-N",344]
[349,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305353","CCCn1cnc(CC(OCCNC)C(O)=O)c1","InChI=1S/C12H21N3O3/c1-3-5-15-8-10(14-9-15)7-11(12(16)17)18-6-4-13-2/h8-9,11,13H,3-7H2,1-2H3,(H,16,17)","ZVHHWSNDCRFPAT-UHFFFAOYSA-N",407]
[350,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226609","CC(C)n1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C11H20N4O2/c1-8(2)15-6-9(14-7-15)5-10(11(16)17)13-4-3-12/h6-8,10,13H,3-5,12H2,1-2H3,(H,16,17)/t10-/m0/s1","DSCXKBLEKKGFNS-JTQLQIEISA-N",430]
[351,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226604","CCCn1cnc(C[C@@H](CCCN)C(O)=O)c1","InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m1/s1","OTDGPKRCQXSTPV-SNVBAGLBSA-N",">700"]
[352,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305354","CCCn1cnc(C[C@@H](OCCN)C(O)=O)c1","InChI=1S/C11H19N3O3/c1-2-4-14-7-9(13-8-14)6-10(11(15)16)17-5-3-12/h7-8,10H,2-6,12H2,1H3,(H,15,16)/t10-/m1/s1","JAMWMFGAEKLEEJ-SNVBAGLBSA-N",">1000"]
[353,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81910","CC(NC(=S)N(Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O)c1ccccc1","InChI=1S/C25H25N3OS2/c1-17-10-11-23-20(13-17)14-21(24(29)27-23)15-28(16-22-9-6-12-31-22)25(30)26-18(2)19-7-4-3-5-8-19/h3-14,18H,15-16H2,1-2H3,(H,26,30)(H,27,29)","JRVSRQFBILPVCS-UHFFFAOYSA-N",1600]
[354,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81906","Cc1ccc(cc1)C(=O)CSc1nnc(COc2ccc3ccccc3c2)o1","InChI=1S/C22H18N2O3S/c1-15-6-8-17(9-7-15)20(25)14-28-22-24-23-21(27-22)13-26-19-11-10-16-4-2-3-5-18(16)12-19/h2-12H,13-14H2,1H3","CTYSPWAJMNQYOQ-UHFFFAOYSA-N",1900]
[355,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81905","Cc1cc(C)cc(c1)-c1nnc(SCC(=O)N2CCCc3ccccc23)o1","InChI=1S/C21H21N3O2S/c1-14-10-15(2)12-17(11-14)20-22-23-21(26-20)27-13-19(25)24-9-5-7-16-6-3-4-8-18(16)24/h3-4,6,8,10-12H,5,7,9,13H2,1-2H3","SVVCCBBUWWVOLZ-UHFFFAOYSA-N",7400]
[356,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81908","OC(=O)CCSc1nnc(COc2cccc3ccccc23)n1-c1ccccc1","InChI=1S/C22H19N3O3S/c26-21(27)13-14-29-22-24-23-20(25(22)17-9-2-1-3-10-17)15-28-19-12-6-8-16-7-4-5-11-18(16)19/h1-12H,13-15H2,(H,26,27)","ONEYQUFCKREJEN-UHFFFAOYSA-N",11800]
[357,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81911","COC(=O)c1ccccc1NC(=S)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O","InChI=1S/C25H23N3O4S/c1-16-7-5-8-17-13-18(23(29)27-22(16)17)14-28(15-19-9-6-12-32-19)25(33)26-21-11-4-3-10-20(21)24(30)31-2/h3-13H,14-15H2,1-2H3,(H,26,33)(H,27,29)","FMEZNJBXBHDEHR-UHFFFAOYSA-N",13300]
[358,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81909","Fc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1","InChI=1S/C22H18FN3O3S/c23-17-10-12-18(13-11-17)30(28,29)26(14-16-6-2-1-3-7-16)15-21-24-20-9-5-4-8-19(20)22(27)25-21/h1-13H,14-15H2,(H,24,25,27)","SJKIDORXXVJOAY-UHFFFAOYSA-N",14300]
[359,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226612","NCCN[C@H](Cc1cnc[nH]1)C(O)=O","InChI=1S/C8H14N4O2/c9-1-2-11-7(8(13)14)3-6-4-10-5-12-6/h4-5,7,11H,1-3,9H2,(H,10,12)(H,13,14)/t7-/m1/s1","HRGIXOAUBWGTCB-SSDOTTSWSA-N",17000]
[360,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81907","COc1ccc2[nH]c(=O)c(CN(CCO)C(=S)Nc3ccc(C)cc3)cc2c1","InChI=1S/C21H23N3O3S/c1-14-3-5-17(6-4-14)22-21(28)24(9-10-25)13-16-11-15-12-18(27-2)7-8-19(15)23-20(16)26/h3-8,11-12,25H,9-10,13H2,1-2H3,(H,22,28)(H,23,26)","AXRMMQKZPNXSNV-UHFFFAOYSA-N",22500]
[361,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81904","O=C(Cn1nnc(n1)-c1cccs1)N1CCc2ccccc2C1","InChI=1S/C16H15N5OS/c22-15(20-8-7-12-4-1-2-5-13(12)10-20)11-21-18-16(17-19-21)14-6-3-9-23-14/h1-6,9H,7-8,10-11H2","TWSRTYYHXLBOCX-UHFFFAOYSA-N",32000]
[362,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM47512","Cc1ccc(cc1)C(=O)CSc1nnc(COc2cccc3cccnc23)o1","InChI=1S/C21H17N3O3S/c1-14-7-9-15(10-8-14)17(25)13-28-21-24-23-19(27-21)12-26-18-6-2-4-16-5-3-11-22-20(16)18/h2-11H,12-13H2,1H3","BLNVPVBRBVPWPF-UHFFFAOYSA-N",50000]
[363,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81903","NC(Cc1ccc2ccnc(N)c2c1)C(O)=O","InChI=1S/C12H13N3O2/c13-10(12(16)17)6-7-1-2-8-3-4-15-11(14)9(8)5-7/h1-5,10H,6,13H2,(H2,14,15)(H,16,17)","IFFBNDWTLOCJIQ-UHFFFAOYSA-N",145000]
[364,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81902","NC(Cc1ccc2c(N)nccc2c1)C(O)=O","InChI=1S/C12H13N3O2/c13-10(12(16)17)6-7-1-2-9-8(5-7)3-4-15-11(9)14/h1-5,10H,6,13H2,(H2,14,15)(H,16,17)","VYOXWSYCVMFVEP-UHFFFAOYSA-N",220000]
[365,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575776","Cc1ccc(cc1)-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O","InChI=1S/C23H30FN2O4P/c1-17-4-6-18(7-5-17)21-14-20(24)9-8-19(21)15-26-12-13-31(29,30)23(16-26,22(27)28)10-2-3-11-25/h4-9,14H,2-3,10-13,15-16,25H2,1H3,(H,27,28)(H,29,30)/t23-/m0/s1","FZBBTYWRMKWFCQ-QHCPKHFHSA-N",null,1]
[366,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089758","CC12CCC(C(C1)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](Cc1ccc(N)nc1)C(O)=O)C2(C)C","InChI=1S/C28H43N5O4/c1-27(2)19-11-12-28(27,3)15-22(19)31-24(34)20(13-17-7-5-4-6-8-17)32-26(37)33-21(25(35)36)14-18-9-10-23(29)30-16-18/h9-10,16-17,19-22H,4-8,11-15H2,1-3H3,(H2,29,30)(H,31,34)(H,35,36)(H2,32,33,37)/t19?,20-,21+,22?,28?/m1/s1","IHZPIKIYQNIWSX-XVCFFUJGSA-N",null,1]
[367,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144342","CC(C)(C)CCn1cnc(c1)C(C[C@H]1CC[C@H](N)C1)C(O)=O","InChI=1S/C17H29N3O2/c1-17(2,3)6-7-20-10-15(19-11-20)14(16(21)22)9-12-4-5-13(18)8-12/h10-14H,4-9,18H2,1-3H3,(H,21,22)/t12-,13-,14?/m0/s1","LDXGTVIJFDTJIE-RFHHWMCGSA-N",null,1]
[368,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395735","CCC(=O)[Se]CC(CCCCCN)C(O)=O","InChI=1S/C11H21NO3Se/c1-2-10(13)16-8-9(11(14)15)6-4-3-5-7-12/h9H,2-8,12H2,1H3,(H,14,15)","BLOWBFVUAGFPRC-UHFFFAOYSA-N",null,1.1]
[369,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50275212","CCC(=O)[Se]CC(Cc1cnc(N)c(Cl)c1)C(O)=O","InChI=1S/C12H15ClN2O3Se/c1-2-10(16)19-6-8(12(17)18)3-7-4-9(13)11(14)15-5-7/h4-5,8H,2-3,6H2,1H3,(H2,14,15)(H,17,18)","DMSZKGIZIIXNLW-UHFFFAOYSA-N",null,1.5]
[370,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089688","CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](CCCNC(N)=N)C(O)=O","InChI=1S/C41H60N10O9/c1-24(2)33-37(56)46-30(20-17-26-15-18-28(52)19-16-26)38(57)51(4)25(3)34(53)47-32(23-27-11-6-5-7-12-27)35(54)44-21-9-8-13-29(36(55)50-33)48-41(60)49-31(39(58)59)14-10-22-45-40(42)43/h5-7,11-12,15-16,18-19,24-25,29-33,52H,8-10,13-14,17,20-23H2,1-4H3,(H,44,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H4,42,43,45)(H2,48,49,60)/t25-,29+,30-,31-,32-,33-/m0/s1","ZDOVFDLIJJGVQM-APNXPRSCSA-N",null,1.5]
[371,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089687","CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](CCCNC(N)=N)C(O)=O","InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26-,30+,31-,32-,33-,34-/m0/s1","RAUPUVQHUFXDQT-IYLLGVDMSA-N",null,1.5]
[372,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395731","CCOC(=O)C(C[Se]C(=O)CC)Cc1ccc(N)nc1","InChI=1S/C14H20N2O3Se/c1-3-13(17)20-9-11(14(18)19-4-2)7-10-5-6-12(15)16-8-10/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,15,16)","UHQFZYXCXBJDLU-UHFFFAOYSA-N",null,1.8]
[373,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089686","CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C41H60N8O9/c1-25(2)34-38(54)44-31(21-18-27-16-19-29(50)20-17-27)39(55)49(4)26(3)35(51)45-33(24-28-12-6-5-7-13-28)36(52)43-23-11-9-14-30(37(53)48-34)46-41(58)47-32(40(56)57)15-8-10-22-42/h5-7,12-13,16-17,19-20,25-26,30-34,50H,8-11,14-15,18,21-24,42H2,1-4H3,(H,43,52)(H,44,54)(H,45,51)(H,48,53)(H,56,57)(H2,46,47,58)/t26-,30+,31-,32-,33-,34-/m0/s1","VNOIUJQJSYNRHB-NCUXDPMLSA-N",null,1.9]
[374,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395737","NCCCCCC(C[Se][Se]CC(CCCCCN)C(O)=O)C(O)=O","InChI=1S/C16H32N2O4Se2/c17-9-5-1-3-7-13(15(19)20)11-23-24-12-14(16(21)22)8-4-2-6-10-18/h13-14H,1-12,17-18H2,(H,19,20)(H,21,22)","RUZIZPNQGMERCW-UHFFFAOYSA-N",null,2]
[375,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144337","CC(C)CCCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O","InChI=1S/C17H24N4O2/c1-12(2)4-3-7-21-10-15(20-11-21)14(17(22)23)8-13-5-6-16(18)19-9-13/h5-6,9-12,14H,3-4,7-8H2,1-2H3,(H2,18,19)(H,22,23)","UFHFBHSKTSVCMN-UHFFFAOYSA-N",null,2]
[376,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395732","Nc1ccc(CC(C[Se][Se]CC(Cc2ccc(N)nc2)C(O)=O)C(O)=O)cn1","InChI=1S/C18H22N4O4Se2/c19-15-3-1-11(7-21-15)5-13(17(23)24)9-27-28-10-14(18(25)26)6-12-2-4-16(20)22-8-12/h1-4,7-8,13-14H,5-6,9-10H2,(H2,19,21)(H2,20,22)(H,23,24)(H,25,26)","MYECLQPAUDYVIW-UHFFFAOYSA-N",null,2]
[377,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575768","NCCCCC1(CN(Cc2ccccc2-c2cccnc2)CCP1(O)=O)C(O)=O","InChI=1S/C21H28N3O4P/c22-10-4-3-9-21(20(25)26)16-24(12-13-29(21,27)28)15-18-6-1-2-8-19(18)17-7-5-11-23-14-17/h1-2,5-8,11,14H,3-4,9-10,12-13,15-16,22H2,(H,25,26)(H,27,28)","ZARDBEAQXXDVBK-UHFFFAOYSA-N",null,2]
[378,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395732","Nc1ccc(CC(C[Se][Se]CC(Cc2ccc(N)nc2)C(O)=O)C(O)=O)cn1","InChI=1S/C18H22N4O4Se2/c19-15-3-1-11(7-21-15)5-13(17(23)24)9-27-28-10-14(18(25)26)6-12-2-4-16(20)22-8-12/h1-4,7-8,13-14H,5-6,9-10H2,(H2,19,21)(H2,20,22)(H,23,24)(H,25,26)","MYECLQPAUDYVIW-UHFFFAOYSA-N",null,2.2]
[379,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395730","Nc1ncc(CC(C[Se][Se]CC(Cc2cnc(N)c(Cl)c2)C(O)=O)C(O)=O)cc1Cl","InChI=1S/C18H20Cl2N4O4Se2/c19-13-3-9(5-23-15(13)21)1-11(17(25)26)7-29-30-8-12(18(27)28)2-10-4-14(20)16(22)24-6-10/h3-6,11-12H,1-2,7-8H2,(H2,21,23)(H2,22,24)(H,25,26)(H,27,28)","LKLRNWHRLUKWFJ-UHFFFAOYSA-N",null,2.5]
[380,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109264","C[C@H]1CC[C@@H](CC1)n1cnc(C[C@H](CCCN)C(O)=O)c1","InChI=1S/C16H27N3O2/c1-12-4-6-15(7-5-12)19-10-14(18-11-19)9-13(16(20)21)3-2-8-17/h10-13,15H,2-9,17H2,1H3,(H,20,21)/t12-,13-,15-/m0/s1","AEHFUSPLVGWEEP-YDHLFZDLSA-N",null,2.6]
[381,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135934","CC(C)CCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O","InChI=1S/C16H22N4O2/c1-11(2)5-6-20-9-14(19-10-20)13(16(21)22)7-12-3-4-15(17)18-8-12/h3-4,8-11,13H,5-7H2,1-2H3,(H2,17,18)(H,21,22)","FUZLEHIZFGSVSF-UHFFFAOYSA-N",null,2.7]
[382,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089691","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C26H46N4O4/c1-25(2)18-12-13-26(25,3)16-21(18)28-22(31)20(15-17-9-5-4-6-10-17)30-24(34)29-19(23(32)33)11-7-8-14-27/h17-21H,4-16,27H2,1-3H3,(H,28,31)(H,32,33)(H2,29,30,34)/t18?,19-,20+,21?,26?/m0/s1","MARJTHQRTDYWGB-HPIYHLJDSA-N",null,3]
[383,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197573","CC1(C)C2CCC1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C26H46N4O4/c1-25(2)18-12-13-26(25,3)21(16-18)30-22(31)20(15-17-9-5-4-6-10-17)29-24(34)28-19(23(32)33)11-7-8-14-27/h17-21H,4-16,27H2,1-3H3,(H,30,31)(H,32,33)(H2,28,29,34)/t18?,19-,20-,21-,26?/m0/s1","AUFLFYNRNWZZKB-SONHOIRQSA-N",null,3]
[384,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395736","CCOC(=O)C(CCCCCN)C[Se]C(=O)CC","InChI=1S/C13H25NO3Se/c1-3-12(15)18-10-11(13(16)17-4-2)8-6-5-7-9-14/h11H,3-10,14H2,1-2H3","BOAPBPBQRLRKGC-UHFFFAOYSA-N",null,3]
[385,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395740","CCOC(=O)C(CCCCCN)CSC(C)=O","InChI=1S/C12H23NO3S/c1-3-16-12(15)11(9-17-10(2)14)7-5-4-6-8-13/h11H,3-9,13H2,1-2H3","FHCMTCNRCACFAB-UHFFFAOYSA-N",null,3.1]
[386,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395741","NCCCCCC(CS)C(O)=O","InChI=1S/C8H17NO2S/c9-5-3-1-2-4-7(6-12)8(10)11/h7,12H,1-6,9H2,(H,10,11)","OWVFNXQLXNWAHW-UHFFFAOYSA-N",null,3.4]
[387,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50275212","CCC(=O)[Se]CC(Cc1cnc(N)c(Cl)c1)C(O)=O","InChI=1S/C12H15ClN2O3Se/c1-2-10(16)19-6-8(12(17)18)3-7-4-9(13)11(14)15-5-7/h4-5,8H,2-3,6H2,1H3,(H2,14,15)(H,17,18)","DMSZKGIZIIXNLW-UHFFFAOYSA-N",null,3.7]
[388,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395737","NCCCCCC(C[Se][Se]CC(CCCCCN)C(O)=O)C(O)=O","InChI=1S/C16H32N2O4Se2/c17-9-5-1-3-7-13(15(19)20)11-23-24-12-14(16(21)22)8-4-2-6-10-18/h13-14H,1-12,17-18H2,(H,19,20)(H,21,22)","RUZIZPNQGMERCW-UHFFFAOYSA-N",null,">3.8"]
[389,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395729","CCOC(=O)C(C[Se]C(=O)CC)Cc1cnc(N)c(Cl)c1","InChI=1S/C14H19ClN2O3Se/c1-3-12(18)21-8-10(14(19)20-4-2)5-9-6-11(15)13(16)17-7-9/h6-7,10H,3-5,8H2,1-2H3,(H2,16,17)","KUNRSCIAQGRNQR-UHFFFAOYSA-N",null,">3.8"]
[390,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089756","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCNC(N)=N)C(O)=O","InChI=1S/C26H46N6O4/c1-25(2)17-11-12-26(25,3)15-20(17)30-21(33)19(14-16-8-5-4-6-9-16)32-24(36)31-18(22(34)35)10-7-13-29-23(27)28/h16-20H,4-15H2,1-3H3,(H,30,33)(H,34,35)(H4,27,28,29)(H2,31,32,36)/t17?,18-,19+,20?,26?/m0/s1","FRONFJPZPPGYAX-WKCFZQPLSA-N",null,4]
[391,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201427","NC(N)=Nc1cccc(c1)C(CS)C(O)=O","InChI=1S/C10H13N3O2S/c11-10(12)13-7-3-1-2-6(4-7)8(5-16)9(14)15/h1-4,8,16H,5H2,(H,14,15)(H4,11,12,13)","YHBCRXAIIVZWEW-UHFFFAOYSA-N",null,4]
[392,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089751","CC1(C)C2CCC1(C)CC2NC(=O)C(CC1CCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C25H44N4O4/c1-24(2)17-11-12-25(24,3)15-20(17)27-21(30)19(14-16-8-4-5-9-16)29-23(33)28-18(22(31)32)10-6-7-13-26/h16-20H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)(H2,28,29,33)/t17?,18-,19?,20?,25?/m0/s1","AFDQLRFIAXCERE-UQGFRLLMSA-N",null,4]
[393,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089755","CC12CCC(C(C1)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CSCCN)C(O)=O)C2(C)C","InChI=1S/C25H44N4O4S/c1-24(2)17-9-10-25(24,3)14-19(17)27-21(30)18(13-16-7-5-4-6-8-16)28-23(33)29-20(22(31)32)15-34-12-11-26/h16-20H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)(H2,28,29,33)/t17?,18-,19?,20+,25?/m1/s1","LVFHNJLSTSKIOI-IFVPPNBGSA-N",null,4]
[394,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395734","NCCCCCC(C[Se]C(=O)CCCc1ccccc1)C(O)=O","InChI=1S/C18H27NO3Se/c19-13-6-2-5-11-16(18(21)22)14-23-17(20)12-7-10-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14,19H2,(H,21,22)","KMMJFXKNWGNVOX-UHFFFAOYSA-N",null,4.1]
[395,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326336","CC(C)(C)CCn1cnc(c1)[C@]1(C[C@@H]1CCCN)C(O)=O","InChI=1S/C16H27N3O2/c1-15(2,3)6-8-19-10-13(18-11-19)16(14(20)21)9-12(16)5-4-7-17/h10-12H,4-9,17H2,1-3H3,(H,20,21)/t12-,16+/m0/s1","OATNNVUVQQXLHN-BLLLJJGKSA-N",null,4.5]
[396,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575770","COc1ccc(cn1)-c1ccccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O","InChI=1S/C22H30N3O5P/c1-30-20-9-8-17(14-24-20)19-7-3-2-6-18(19)15-25-12-13-31(28,29)22(16-25,21(26)27)10-4-5-11-23/h2-3,6-9,14H,4-5,10-13,15-16,23H2,1H3,(H,26,27)(H,28,29)/t22-/m0/s1","AVHRAGMQIMFUSI-QFIPXVFZSA-N",null,5]
[397,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575775","NCCCC[C@]1(CN(Cc2ccc(F)cc2-c2cncnc2)CCP1(O)=O)C(O)=O","InChI=1S/C20H26FN4O4P/c21-17-4-3-15(18(9-17)16-10-23-14-24-11-16)12-25-7-8-30(28,29)20(13-25,19(26)27)5-1-2-6-22/h3-4,9-11,14H,1-2,5-8,12-13,22H2,(H,26,27)(H,28,29)/t20-/m0/s1","OMPACBMICGZNQY-FQEVSTJZSA-N",null,5]
[398,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135934","CC(C)CCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O","InChI=1S/C16H22N4O2/c1-11(2)5-6-20-9-14(19-10-20)13(16(21)22)7-12-3-4-15(17)18-8-12/h3-4,8-11,13H,5-7H2,1-2H3,(H2,17,18)(H,21,22)","FUZLEHIZFGSVSF-UHFFFAOYSA-N",null,5]
[399,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109265","C[C@@H](CN)C[C@@H](Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O","InChI=1S/C17H29N3O2/c1-12-3-5-16(6-4-12)20-10-15(19-11-20)8-14(17(21)22)7-13(2)9-18/h10-14,16H,3-9,18H2,1-2H3,(H,21,22)/t12-,13-,14+,16-/m1/s1","OMGSNJPCQBNRPB-HGTKMLMNSA-N",null,5.1]
[400,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395733","NCCCCCC(C[Se]C(=O)CCc1ccccc1)C(O)=O","InChI=1S/C17H25NO3Se/c18-12-6-2-5-9-15(17(20)21)13-22-16(19)11-10-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13,18H2,(H,20,21)","JNRHODQLZKDDMA-UHFFFAOYSA-N",null,5.3]
[401,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109258","C[C@H](CN)C[C@@H](Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O","InChI=1S/C17H29N3O2/c1-12-3-5-16(6-4-12)20-10-15(19-11-20)8-14(17(21)22)7-13(2)9-18/h10-14,16H,3-9,18H2,1-2H3,(H,21,22)/t12-,13-,14-,16-/m0/s1","OMGSNJPCQBNRPB-YXWQFLTLSA-N",null,5.4]
[402,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395728","CC(C)[C@H](NC(=O)CCc1ccccc1)P(O)(=O)C[C@@H](CCCCCN)C(O)=O","InChI=1S/C21H35N2O5P/c1-16(2)20(23-19(24)13-12-17-9-5-3-6-10-17)29(27,28)15-18(21(25)26)11-7-4-8-14-22/h3,5-6,9-10,16,18,20H,4,7-8,11-15,22H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/t18-,20-/m1/s1","DEWOTLFUKYSXIE-UYAOXDASSA-N",null,5.5]
[403,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173886","CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C25H40N4O6/c1-17(2)22-16-34-13-5-6-14-35-19-10-8-18(9-11-19)15-21(23(30)27-22)29-25(33)28-20(24(31)32)7-3-4-12-26/h8-11,17,20-22H,3-7,12-16,26H2,1-2H3,(H,27,30)(H,31,32)(H2,28,29,33)/t20-,21+,22+/m0/s1","LULOJIQVOUOYMX-BHDDXSALSA-N",null,6,{"$nulls":4},7.4,"25.00 C"]
[404,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575780","Cn1cncc1-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O","InChI=1S/C20H28FN4O4P/c1-24-14-23-11-18(24)17-10-16(21)5-4-15(17)12-25-8-9-30(28,29)20(13-25,19(26)27)6-2-3-7-22/h4-5,10-11,14H,2-3,6-9,12-13,22H2,1H3,(H,26,27)(H,28,29)/t20-/m0/s1","ZBWZIBATIOSFOY-FQEVSTJZSA-N",null,6]
[405,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135936","CCCCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O","InChI=1S/C15H20N4O2/c1-2-3-6-19-9-13(18-10-19)12(15(20)21)7-11-4-5-14(16)17-8-11/h4-5,8-10,12H,2-3,6-7H2,1H3,(H2,16,17)(H,20,21)","RCFXGCBFYOZPJW-UHFFFAOYSA-N",null,6]
[406,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395739","CCOC(=O)C(CS)CCCCCN","InChI=1S/C10H21NO2S/c1-2-13-10(12)9(8-14)6-4-3-5-7-11/h9,14H,2-8,11H2,1H3","OCHZJRQCQXNQFN-UHFFFAOYSA-N",null,6.2]
[407,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089691","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C26H46N4O4/c1-25(2)18-12-13-26(25,3)16-21(18)28-22(31)20(15-17-9-5-4-6-10-17)30-24(34)29-19(23(32)33)11-7-8-14-27/h17-21H,4-16,27H2,1-3H3,(H,28,31)(H,32,33)(H2,29,30,34)/t18?,19-,20+,21?,26?/m0/s1","MARJTHQRTDYWGB-HPIYHLJDSA-N",null,7]
[408,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575769","NCCCCC1(CN(Cc2ccccc2-c2cncnc2)CCP1(O)=O)C(O)=O","InChI=1S/C20H27N4O4P/c21-8-4-3-7-20(19(25)26)14-24(9-10-29(20,27)28)13-16-5-1-2-6-18(16)17-11-22-15-23-12-17/h1-2,5-6,11-12,15H,3-4,7-10,13-14,21H2,(H,25,26)(H,27,28)","PNESMYMKIXRGDJ-UHFFFAOYSA-N",null,7]
[409,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109254","C[C@H](CN)OC(Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O","InChI=1S/C16H27N3O3/c1-11-3-5-14(6-4-11)19-9-13(18-10-19)7-15(16(20)21)22-12(2)8-17/h9-12,14-15H,3-8,17H2,1-2H3,(H,20,21)/t11-,12-,14-,15?/m1/s1","SXFRUTCVXKOOAP-TVAMOIRASA-N",null,7]
[410,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089749","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C23H40N4O4/c1-22(2)15-9-10-23(22,3)13-18(15)25-19(28)17(12-14-7-8-14)27-21(31)26-16(20(29)30)6-4-5-11-24/h14-18H,4-13,24H2,1-3H3,(H,25,28)(H,29,30)(H2,26,27,31)/t15?,16-,17+,18?,23?/m0/s1","PFLUEQHIMCTTNI-PPFFOOAHSA-N",null,7]
[411,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109256","CC1(C)CCCC(C1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C17H29N3O2/c1-17(2)7-3-6-15(10-17)20-11-14(19-12-20)9-13(16(21)22)5-4-8-18/h11-13,15H,3-10,18H2,1-2H3,(H,21,22)","ILWZFIDDSWMJSL-UHFFFAOYSA-N",null,7.5]
[412,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395735","CCC(=O)[Se]CC(CCCCCN)C(O)=O","InChI=1S/C11H21NO3Se/c1-2-10(13)16-8-9(11(14)15)6-4-3-5-7-12/h9H,2-8,12H2,1H3,(H,14,15)","BLOWBFVUAGFPRC-UHFFFAOYSA-N",null,7.6]
[413,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173906","CC(C)[C@H]1COC\\C=C\\COc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C25H38N4O6/c1-17(2)22-16-34-13-5-6-14-35-19-10-8-18(9-11-19)15-21(23(30)27-22)29-25(33)28-20(24(31)32)7-3-4-12-26/h5-6,8-11,17,20-22H,3-4,7,12-16,26H2,1-2H3,(H,27,30)(H,31,32)(H2,28,29,33)/b6-5+/t20-,21+,22+/m0/s1","DWGPZJBQYFUONC-HVKQOZRQSA-N",null,7.7,{"$nulls":4},7.4,"25.00 C"]
[414,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109252","C[C@H]1CC[C@@H](CC1)n1cnc(C[C@H](CCCN)C(O)=O)c1","InChI=1S/C16H27N3O2/c1-12-4-6-15(7-5-12)19-10-14(18-11-19)9-13(16(20)21)3-2-8-17/h10-13,15H,2-9,17H2,1H3,(H,20,21)/t12-,13-,15-/m0/s1","AEHFUSPLVGWEEP-YDHLFZDLSA-N",null,7.8]
[415,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326397","CC[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C[C@]1(C(=O)OC)c1cn(cn1)-c1ccccc1","InChI=1S/C24H33N3O4/c1-6-17(14-25-22(29)31-23(2,3)4)12-18-13-24(18,21(28)30-5)20-15-27(16-26-20)19-10-8-7-9-11-19/h7-11,15-18H,6,12-14H2,1-5H3,(H,25,29)/t17-,18+,24-/m1/s1","XEAMWQOAIXEZGF-NXMSCROESA-N",null,7.9]
[416,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575777","COc1ccc(cc1)-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O","InChI=1S/C23H30FN2O5P/c1-31-20-8-5-17(6-9-20)21-14-19(24)7-4-18(21)15-26-12-13-32(29,30)23(16-26,22(27)28)10-2-3-11-25/h4-9,14H,2-3,10-13,15-16,25H2,1H3,(H,27,28)(H,29,30)/t23-/m0/s1","FEJKEWIWGSFZML-QHCPKHFHSA-N",null,8]
[417,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575779","COc1ccc(cc1OC)-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O","InChI=1S/C24H32FN2O6P/c1-32-21-8-6-17(13-22(21)33-2)20-14-19(25)7-5-18(20)15-27-11-12-34(30,31)24(16-27,23(28)29)9-3-4-10-26/h5-8,13-14H,3-4,9-12,15-16,26H2,1-2H3,(H,28,29)(H,30,31)/t24-/m0/s1","OMNZYBADSYJRIF-DEOSSOPVSA-N",null,8]
[418,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008271","CCCn1cnc2C[C@@](CCCN)(CCc12)C(O)=O","InChI=1S/C14H23N3O2/c1-2-8-17-10-16-11-9-14(13(18)19,5-3-7-15)6-4-12(11)17/h10H,2-9,15H2,1H3,(H,18,19)/t14-/m1/s1","DPDWQELEXVLQSO-CQSZACIVSA-N",null,8]
[419,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201438","NC(N)=NCCCC(CS)C(O)=O","InChI=1S/C7H15N3O2S/c8-7(9)10-3-1-2-5(4-13)6(11)12/h5,13H,1-4H2,(H,11,12)(H4,8,9,10)","JOVIPJZDTSYNNW-UHFFFAOYSA-N",null,8]
[420,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109253","C[C@H]1CC[C@@H](CC1)n1cnc(CC(OCCN)C(O)=O)c1","InChI=1S/C15H25N3O3/c1-11-2-4-13(5-3-11)18-9-12(17-10-18)8-14(15(19)20)21-7-6-16/h9-11,13-14H,2-8,16H2,1H3,(H,19,20)/t11-,13-,14?","MYFSJRVPQSXHMT-LTXMZBCZSA-N",null,8.1]
[421,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135939","NC(=N)CCCSCC(CS)C(O)=O","InChI=1S/C8H16N2O2S2/c9-7(10)2-1-3-14-5-6(4-13)8(11)12/h6,13H,1-5H2,(H3,9,10)(H,11,12)","NEFADNFNASLUBS-UHFFFAOYSA-N",null,8.2]
[422,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109238","C[C@H]1CC[C@@H](CC1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C16H27N3O2/c1-12-4-6-15(7-5-12)19-10-14(18-11-19)9-13(16(20)21)3-2-8-17/h10-13,15H,2-9,17H2,1H3,(H,20,21)/t12-,13?,15-","AEHFUSPLVGWEEP-FFAOXRCVSA-N",null,8.3]
[423,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326395","CC[C@@H](CN)CC1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C17H22N4O2/c1-2-12(9-18)7-13-8-17(13,16(22)23)14-10-21(11-20-14)15-5-3-4-6-19-15/h3-6,10-13H,2,7-9,18H2,1H3,(H,22,23)/t12-,13?,17-/m1/s1","BEUXTDNZDSFKGE-HTCLMOQTSA-N",null,8.3]
[424,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326336","CC(C)(C)CCn1cnc(c1)[C@]1(C[C@@H]1CCCN)C(O)=O","InChI=1S/C16H27N3O2/c1-15(2,3)6-8-19-10-13(18-11-19)16(14(20)21)9-12(16)5-4-7-17/h10-12H,4-9,17H2,1-3H3,(H,20,21)/t12-,16+/m0/s1","OATNNVUVQQXLHN-BLLLJJGKSA-N",null,8.7]
[425,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326393","C[C@@H](CN)C[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccc(C)cn1","InChI=1S/C17H22N4O2/c1-11-3-4-15(19-8-11)21-9-14(20-10-21)17(16(22)23)6-13(17)5-12(2)7-18/h3-4,8-10,12-13H,5-7,18H2,1-2H3,(H,22,23)/t12-,13+,17-/m1/s1","AAEAYCWJPQORII-IIYDPXPESA-N",null,8.7]
[426,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109239","CC[C@H]1CC[C@@H](CC1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C17H29N3O2/c1-2-13-5-7-16(8-6-13)20-11-15(19-12-20)10-14(17(21)22)4-3-9-18/h11-14,16H,2-10,18H2,1H3,(H,21,22)/t13-,14?,16-","FDZCUYWSKODDEJ-AHJVLWBFSA-N",null,8.8]
[427,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173904","CC(C)[C@H]1COCCCCCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C29H48N4O6/c1-21(2)26-20-38-17-9-5-3-4-6-10-18-39-23-14-12-22(13-15-23)19-25(27(34)31-26)33-29(37)32-24(28(35)36)11-7-8-16-30/h12-15,21,24-26H,3-11,16-20,30H2,1-2H3,(H,31,34)(H,35,36)(H2,32,33,37)/t24-,25+,26+/m0/s1","QXXFIOYJSRYYSJ-JIMJEQGWSA-N",null,8.8,{"$nulls":4},7.4,"25.00 C"]
[428,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395731","CCOC(=O)C(C[Se]C(=O)CC)Cc1ccc(N)nc1","InChI=1S/C14H20N2O3Se/c1-3-13(17)20-9-11(14(18)19-4-2)7-10-5-6-12(15)16-8-10/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,15,16)","UHQFZYXCXBJDLU-UHFFFAOYSA-N",null,8.9]
[429,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173918","CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)cc2","InChI=1S/C27H37N5O6/c1-17(2)23-16-37-11-3-4-12-38-20-8-5-18(6-9-20)13-21(25(33)30-23)31-27(36)32-22(26(34)35)14-19-7-10-24(28)29-15-19/h5-10,15,17,21-23H,3-4,11-14,16H2,1-2H3,(H2,28,29)(H,30,33)(H,34,35)(H2,31,32,36)/t21-,22+,23-/m1/s1","ZVEVQADHVAIPND-XPWALMASSA-N",null,9,{"$nulls":4},7.4,"25.00 C"]
[430,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575771","Cn1nc(cc1-c1ccccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O)C(F)(F)F","InChI=1S/C21H28F3N4O4P/c1-27-17(12-18(26-27)21(22,23)24)16-7-3-2-6-15(16)13-28-10-11-33(31,32)20(14-28,19(29)30)8-4-5-9-25/h2-3,6-7,12H,4-5,8-11,13-14,25H2,1H3,(H,29,30)(H,31,32)/t20-/m0/s1","IUPWHEVNFCKRAD-FQEVSTJZSA-N",null,9]
[431,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575772","NCCCC[C@]1(CN(Cc2ccc(O)cc2-c2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C22H29N2O5P/c23-11-5-4-10-22(21(26)27)16-24(12-13-30(22,28)29)15-18-8-9-19(25)14-20(18)17-6-2-1-3-7-17/h1-3,6-9,14,25H,4-5,10-13,15-16,23H2,(H,26,27)(H,28,29)/t22-/m0/s1","UUDVFKVEPYQVEW-QFIPXVFZSA-N",null,9]
[432,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089750","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C24H42N4O4/c1-23(2)16-10-11-24(23,3)14-19(16)26-20(29)18(13-15-7-6-8-15)28-22(32)27-17(21(30)31)9-4-5-12-25/h15-19H,4-14,25H2,1-3H3,(H,26,29)(H,30,31)(H2,27,28,32)/t16?,17-,18+,19?,24?/m0/s1","IUEFDVNIRHIKQG-CVYVEZKBSA-N",null,9]
[433,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109263","C[C@H]1CC[C@H](CC1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C16H27N3O2/c1-12-4-6-15(7-5-12)19-10-14(18-11-19)9-13(16(20)21)3-2-8-17/h10-13,15H,2-9,17H2,1H3,(H,20,21)/t12-,13?,15+","AEHFUSPLVGWEEP-UYULQCGDSA-N",null,9.3]
[434,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109262","NCCCC(Cc1cn(cn1)[C@H]1CC[C@@H](CC1)Oc1ccncc1)C(O)=O","InChI=1S/C20H28N4O3/c21-9-1-2-15(20(25)26)12-16-13-24(14-23-16)17-3-5-18(6-4-17)27-19-7-10-22-11-8-19/h7-8,10-11,13-15,17-18H,1-6,9,12,21H2,(H,25,26)/t15?,17-,18-","WYBOFISFENYTDE-DNLFPKPLSA-N",null,9.8]
[435,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50547476","CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)c2csc1n2)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C21H34N6O5S/c1-12(2)16-19-24-15(11-33-19)17(28)23-10-6-4-7-13(18(29)27-16)25-21(32)26-14(20(30)31)8-3-5-9-22/h11-14,16H,3-10,22H2,1-2H3,(H,23,28)(H,27,29)(H,30,31)(H2,25,26,32)/t13-,14+,16+/m1/s1","ZCHNTIJYUMFUTH-YCPHGPKFSA-N",null,10]
[436,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575773","NCCCC[C@]1(CN(Cc2ccc(Cl)cc2-c2ccc(Cl)cc2)CCP1(O)=O)C(O)=O","InChI=1S/C22H27Cl2N2O4P/c23-18-6-3-16(4-7-18)20-13-19(24)8-5-17(20)14-26-11-12-31(29,30)22(15-26,21(27)28)9-1-2-10-25/h3-8,13H,1-2,9-12,14-15,25H2,(H,27,28)(H,29,30)/t22-/m0/s1","VBCOTJUTZGERNO-QFIPXVFZSA-N",null,10]
[437,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109260","CCC(CN)CC(Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O","InChI=1S/C18H31N3O2/c1-3-14(10-19)8-15(18(22)23)9-16-11-21(12-20-16)17-6-4-13(2)5-7-17/h11-15,17H,3-10,19H2,1-2H3,(H,22,23)/t13-,14?,15?,17-","XGTOBTPXSATSQK-QHEDMNIESA-N",null,10]
[438,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326383","NCCC[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C15H18N4O2/c16-6-3-4-11-8-15(11,14(20)21)12-9-19(10-18-12)13-5-1-2-7-17-13/h1-2,5,7,9-11H,3-4,6,8,16H2,(H,20,21)/t11-,15+/m0/s1","AQKZQQRNPNJJEQ-XHDPSFHLSA-N",null,11]
[439,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326389","C[C@@H](CN)CC1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C16H20N4O2/c1-11(8-17)6-12-7-16(12,15(21)22)13-9-20(10-19-13)14-4-2-3-5-18-14/h2-5,9-12H,6-8,17H2,1H3,(H,21,22)/t11-,12?,16-/m1/s1","FKDQZBMTXAMQNM-DLTQXHKRSA-N",null,11]
[440,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575774","NCCCC[C@]1(CN(Cc2ccc(F)cc2-c2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C22H28FN2O4P/c23-19-9-8-18(20(14-19)17-6-2-1-3-7-17)15-25-12-13-30(28,29)22(16-25,21(26)27)10-4-5-11-24/h1-3,6-9,14H,4-5,10-13,15-16,24H2,(H,26,27)(H,28,29)/t22-/m0/s1","MUVQYNFUWURBHA-QFIPXVFZSA-N",null,11]
[441,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201439","NC(N)=Nc1ccc(Cl)c(c1)C(CS)C(O)=O","InChI=1S/C10H12ClN3O2S/c11-8-2-1-5(14-10(12)13)3-6(8)7(4-17)9(15)16/h1-3,7,17H,4H2,(H,15,16)(H4,12,13,14)","DDXTYELBFUMBFH-UHFFFAOYSA-N",null,11]
[442,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173923","CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)cc2F","InChI=1S/C27H36FN5O6/c1-16(2)22-15-38-9-3-4-10-39-23-7-5-17(11-19(23)28)12-20(25(34)31-22)32-27(37)33-21(26(35)36)13-18-6-8-24(29)30-14-18/h5-8,11,14,16,20-22H,3-4,9-10,12-13,15H2,1-2H3,(H2,29,30)(H,31,34)(H,35,36)(H2,32,33,37)/t20-,21+,22-/m1/s1","PXDQHVXCCCTJKZ-BHIFYINESA-N",null,12,{"$nulls":4},7.4,"25.00 C"]
[443,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197580","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C25H46N4O5S/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26/h17-21,28-29H,4-16,26H2,1-3H3,(H,27,30)(H,31,32)/t18-,19+,20+,21+,25+/m1/s1","IQHARPQKKWCGEY-PHGOAHNDSA-N",null,12]
[444,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326398","CC[C@H](CN)C[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccc1","InChI=1S/C18H23N3O2/c1-2-13(10-19)8-14-9-18(14,17(22)23)16-11-21(12-20-16)15-6-4-3-5-7-15/h3-7,11-14H,2,8-10,19H2,1H3,(H,22,23)/t13-,14-,18+/m0/s1","AUTWIRMPGHMXAD-SUNYJGFJSA-N",null,12]
[445,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326403","C[C@H](CCN)C1CC1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C16H20N4O2/c1-11(5-6-17)12-8-16(12,15(21)22)13-9-20(10-19-13)14-4-2-3-7-18-14/h2-4,7,9-12H,5-6,8,17H2,1H3,(H,21,22)/t11-,12?,16?/m1/s1","BBYNWGREASBBGG-OPGSHWCFSA-N",null,12]
[446,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109249","NCCCC(Cc1cn(cn1)C1C2CC3CC(C2)CC1C3)C(O)=O","InChI=1S/C19H29N3O2/c20-3-1-2-14(19(23)24)9-17-10-22(11-21-17)18-15-5-12-4-13(7-15)8-16(18)6-12/h10-16,18H,1-9,20H2,(H,23,24)","WSBZOSHMXZRDKY-UHFFFAOYSA-N",null,12]
[447,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144333","CC(C)CCCn1cnc(c1)C(Cc1cnc(N)c(C)c1)C(O)=O","InChI=1S/C18H26N4O2/c1-12(2)5-4-6-22-10-16(21-11-22)15(18(23)24)8-14-7-13(3)17(19)20-9-14/h7,9-12,15H,4-6,8H2,1-3H3,(H2,19,20)(H,23,24)","SCNVVBWMMXFKQU-UHFFFAOYSA-N",null,12]
[448,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326365","NCCC[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccc1","InChI=1S/C16H19N3O2/c17-8-4-5-12-9-16(12,15(20)21)14-10-19(11-18-14)13-6-2-1-3-7-13/h1-3,6-7,10-12H,4-5,8-9,17H2,(H,20,21)/t12-,16+/m0/s1","YKCVEFPDNCZBMZ-BLLLJJGKSA-N",null,13]
[449,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326388","CCC(CN)CC1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccc1","InChI=1S/C18H23N3O2/c1-2-13(10-19)8-14-9-18(14,17(22)23)16-11-21(12-20-16)15-6-4-3-5-7-15/h3-7,11-14H,2,8-10,19H2,1H3,(H,22,23)/t13?,14?,18-/m1/s1","AUTWIRMPGHMXAD-WTNGLUPJSA-N",null,13]
[450,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109250","NCCCC(Cc1cn(cn1)[C@H]1CC[C@@H](CC1)Oc1ccccc1)C(O)=O","InChI=1S/C21H29N3O3/c22-12-4-5-16(21(25)26)13-17-14-24(15-23-17)18-8-10-20(11-9-18)27-19-6-2-1-3-7-19/h1-3,6-7,14-16,18,20H,4-5,8-13,22H2,(H,25,26)/t16?,18-,20-","ZALSOORDNKVPOI-WTXWRMNVSA-N",null,13]
[451,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326340","C[C@H]1CC[C@@H](CC1)n1cnc(c1)C1(CC1CCCN)C(O)=O","InChI=1S/C17H27N3O2/c1-12-4-6-14(7-5-12)20-10-15(19-11-20)17(16(21)22)9-13(17)3-2-8-18/h10-14H,2-9,18H2,1H3,(H,21,22)/t12-,13?,14-,17?","IRURIAOJBDPHHN-YMMWLQRMSA-N",null,14]
[452,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326385","COC(=O)[C@@]1(C[C@@H]1C[C@@H](C)CNC(=O)OC(C)(C)C)c1cn(cn1)-c1ccccc1","InChI=1S/C23H31N3O4/c1-16(13-24-21(28)30-22(2,3)4)11-17-12-23(17,20(27)29-5)19-14-26(15-25-19)18-9-7-6-8-10-18/h6-10,14-17H,11-13H2,1-5H3,(H,24,28)/t16-,17+,23-/m1/s1","HWBAEPQFGSMWCU-SAHWJRBASA-N",null,14]
[453,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109240","CCC1CC(C1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C15H25N3O2/c1-2-11-6-14(7-11)18-9-13(17-10-18)8-12(15(19)20)4-3-5-16/h9-12,14H,2-8,16H2,1H3,(H,19,20)","NAMYEQZWSGWUPW-UHFFFAOYSA-N",null,14]
[454,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109247","NCCCC(Cc1cn(cn1)[C@@H]1CC2CCC1C2)C(O)=O","InChI=1S/C16H25N3O2/c17-5-1-2-13(16(20)21)8-14-9-19(10-18-14)15-7-11-3-4-12(15)6-11/h9-13,15H,1-8,17H2,(H,20,21)/t11?,12?,13?,15-/m1/s1","MSFPTFZXHMPOFF-CDKPOMLUSA-N",null,14]
[455,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326365","NCCC[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccc1","InChI=1S/C16H19N3O2/c17-8-4-5-12-9-16(12,15(20)21)14-10-19(11-18-14)13-6-2-1-3-7-13/h1-3,6-7,10-12H,4-5,8-9,17H2,(H,20,21)/t12-,16+/m0/s1","YKCVEFPDNCZBMZ-BLLLJJGKSA-N",null,15]
[456,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089742","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](Cc1ccccc1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C26H40N4O4/c1-25(2)18-12-13-26(25,3)16-21(18)28-22(31)20(15-17-9-5-4-6-10-17)30-24(34)29-19(23(32)33)11-7-8-14-27/h4-6,9-10,18-21H,7-8,11-16,27H2,1-3H3,(H,28,31)(H,32,33)(H2,29,30,34)/t18?,19-,20+,21?,26?/m0/s1","AANQTNMGFYVHSF-HPIYHLJDSA-N",null,15]
[457,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089748","CCC[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC1CC2(C)CCC1C2(C)C","InChI=1S/C22H40N4O4/c1-5-8-15(25-20(30)26-16(19(28)29)9-6-7-12-23)18(27)24-17-13-22(4)11-10-14(17)21(22,2)3/h14-17H,5-13,23H2,1-4H3,(H,24,27)(H,28,29)(H2,25,26,30)/t14?,15-,16+,17?,22?/m1/s1","DXLYYZBSYPQQBL-VFNIDKIXSA-N",null,15]
[458,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326342","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(C)cc1","InChI=1S/C28H39N3O6/c1-19-11-13-21(14-12-19)30-17-22(29-18-30)28(23(32)35-8)16-20(28)10-9-15-31(24(33)36-26(2,3)4)25(34)37-27(5,6)7/h11-14,17-18,20H,9-10,15-16H2,1-8H3","DQTFKEIZUTYKSB-UHFFFAOYSA-N",null,16]
[459,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326379","COc1ccc(nc1)-n1cnc(c1)C1(CC1CCCNC(=O)OC(C)(C)C)C#N","InChI=1S/C21H27N5O3/c1-20(2,3)29-19(27)23-9-5-6-15-10-21(15,13-22)17-12-26(14-25-17)18-8-7-16(28-4)11-24-18/h7-8,11-12,14-15H,5-6,9-10H2,1-4H3,(H,23,27)","QELFMTDIVROIAE-UHFFFAOYSA-N",null,16]
[460,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326381","CC(C)(C)OC(=O)NCCCC1CC1(C#N)c1cn(cn1)-c1cc2ccccc2cn1","InChI=1S/C24H27N5O2/c1-23(2,3)31-22(30)26-10-6-9-19-12-24(19,15-25)20-14-29(16-28-20)21-11-17-7-4-5-8-18(17)13-27-21/h4-5,7-8,11,13-14,16,19H,6,9-10,12H2,1-3H3,(H,26,30)","XMTPTCDXVJZEJE-UHFFFAOYSA-N",null,16]
[461,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173908","NCCCCC(NC(=O)N[C@@H]1CCCCCCCCOCCNC1=O)C(O)=O","InChI=1S/C19H36N4O5/c20-11-7-6-10-16(18(25)26)23-19(27)22-15-9-5-3-1-2-4-8-13-28-14-12-21-17(15)24/h15-16H,1-14,20H2,(H,21,24)(H,25,26)(H2,22,23,27)/t15-,16?/m1/s1","DVULGIIJYZWCHK-AAFJCEBUSA-N",null,17,{"$nulls":4},7.4,"25.00 C"]
[462,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575764","NCCCCC1(CN(Cc2ccccc2-c2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C22H29N2O4P/c23-13-7-6-12-22(21(25)26)17-24(14-15-29(22,27)28)16-19-10-4-5-11-20(19)18-8-2-1-3-9-18/h1-5,8-11H,6-7,12-17,23H2,(H,25,26)(H,27,28)","TZBHVEYERYTMRS-UHFFFAOYSA-N",null,17]
[463,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326384","Cc1ccc(nc1)-n1cnc(c1)C1(CC1CCCN)C(O)=O","InChI=1S/C16H20N4O2/c1-11-4-5-14(18-8-11)20-9-13(19-10-20)16(15(21)22)7-12(16)3-2-6-17/h4-5,8-10,12H,2-3,6-7,17H2,1H3,(H,21,22)","ZPFMNMNWJGHXRK-UHFFFAOYSA-N",null,18]
[464,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109245","CC1CCCC(C1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C16H27N3O2/c1-12-4-2-6-15(8-12)19-10-14(18-11-19)9-13(16(20)21)5-3-7-17/h10-13,15H,2-9,17H2,1H3,(H,20,21)","RUGXMJXNVBQNEE-UHFFFAOYSA-N",null,18]
[465,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089752","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCN)C(O)=O","InChI=1S/C25H44N4O4/c1-24(2)17-11-12-25(24,3)15-20(17)27-21(30)19(14-16-8-5-4-6-9-16)29-23(33)28-18(22(31)32)10-7-13-26/h16-20H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)(H2,28,29,33)/t17?,18-,19+,20?,25?/m0/s1","DIMNQIOXFWXAEU-QNRKRJGYSA-N",null,18]
[466,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173903","CC(C)(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C26H42N4O6/c1-26(2,3)22-17-35-14-6-7-15-36-19-11-9-18(10-12-19)16-21(23(31)30-22)29-25(34)28-20(24(32)33)8-4-5-13-27/h9-12,20-22H,4-8,13-17,27H2,1-3H3,(H,30,31)(H,32,33)(H2,28,29,34)/t20-,21+,22+/m0/s1","YWHUEJHOMUURMA-BHDDXSALSA-N",null,19,{"$nulls":4},7.4,"25.00 C"]
[467,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326376","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(F)cn1","InChI=1S/C27H37FN4O6/c1-8-36-22(33)27(20-16-31(17-30-20)21-12-11-19(28)15-29-21)14-18(27)10-9-13-32(23(34)37-25(2,3)4)24(35)38-26(5,6)7/h11-12,15-18H,8-10,13-14H2,1-7H3","GCUVSXYFBMENNG-UHFFFAOYSA-N",null,19]
[468,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326399","Cc1ccnc(c1)-n1cnc(c1)C1(CC1CCCN)C(O)=O","InChI=1S/C16H20N4O2/c1-11-4-6-18-14(7-11)20-9-13(19-10-20)16(15(21)22)8-12(16)3-2-5-17/h4,6-7,9-10,12H,2-3,5,8,17H2,1H3,(H,21,22)","CRYYMVRUSLUZSY-UHFFFAOYSA-N",null,19]
[469,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109244","CC1(O)CCC(CC1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C16H27N3O3/c1-16(22)6-4-14(5-7-16)19-10-13(18-11-19)9-12(15(20)21)3-2-8-17/h10-12,14,22H,2-9,17H2,1H3,(H,20,21)","GESSUOCTJXXJDY-UHFFFAOYSA-N",null,19]
[470,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109261","NCCCC(Cc1cn(cn1)[C@@H]1CC[C@H](O)CC1)C(O)=O","InChI=1S/C15H25N3O3/c16-7-1-2-11(15(20)21)8-12-9-18(10-17-12)13-3-5-14(19)6-4-13/h9-11,13-14,19H,1-8,16H2,(H,20,21)/t11?,13-,14+","CEXOYROFZTUKIF-QXMXGUDHSA-N",null,19]
[471,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089707","NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NC1C2CC3CC(C2)CC1C3)C(O)=O","InChI=1S/C26H44N4O4/c27-9-5-4-8-21(25(32)33)28-26(34)29-22(15-16-6-2-1-3-7-16)24(31)30-23-19-11-17-10-18(13-19)14-20(23)12-17/h16-23H,1-15,27H2,(H,30,31)(H,32,33)(H2,28,29,34)/t17?,18?,19?,20?,21-,22+,23?/m0/s1","UHQNMIWTWXKYFL-DUZZCOBJSA-N",null,19]
[472,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173922","CC(C)[C@H]1COCCCCc2ccc(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)cc2","InChI=1S/C27H37N5O5/c1-17(2)23-16-37-12-4-3-5-18-6-8-19(9-7-18)13-21(25(33)30-23)31-27(36)32-22(26(34)35)14-20-10-11-24(28)29-15-20/h6-11,15,17,21-23H,3-5,12-14,16H2,1-2H3,(H2,28,29)(H,30,33)(H,34,35)(H2,31,32,36)/t21-,22+,23-/m1/s1","OAJFUQYROAKCKW-XPWALMASSA-N",null,21,{"$nulls":4},7.4,"25.00 C"]
[473,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326350","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(F)cc1","InChI=1S/C27H36FN3O6/c1-25(2,3)36-23(33)31(24(34)37-26(4,5)6)14-8-9-18-15-27(18,22(32)35-7)21-16-30(17-29-21)20-12-10-19(28)11-13-20/h10-13,16-18H,8-9,14-15H2,1-7H3","MBMPZGJMHDYWBV-UHFFFAOYSA-N",null,21]
[474,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109237","NCCCC(Cc1cn(cn1)C1CCCCC1)C(O)=O","InChI=1S/C15H25N3O2/c16-8-4-5-12(15(19)20)9-13-10-18(11-17-13)14-6-2-1-3-7-14/h10-12,14H,1-9,16H2,(H,19,20)","FNFACZYHQHRMSK-UHFFFAOYSA-N",null,21]
[475,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109242","NCCCC(Cc1cn(cn1)[C@H]1C[C@@H]2C[C@@H]2C1)C(O)=O","InChI=1S/C15H23N3O2/c16-3-1-2-10(15(19)20)5-13-8-18(9-17-13)14-6-11-4-12(11)7-14/h8-12,14H,1-7,16H2,(H,19,20)/t10?,11-,12+,14-","ZZLRTOGULJOLII-NPORBRKHSA-N",null,21]
[476,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109246","NCCCC(Cc1cn(cn1)C1CCCCCC1)C(O)=O","InChI=1S/C16H27N3O2/c17-9-5-6-13(16(20)21)10-14-11-19(12-18-14)15-7-3-1-2-4-8-15/h11-13,15H,1-10,17H2,(H,20,21)","MHKMIQNCAHVRCX-UHFFFAOYSA-N",null,21]
[477,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109255","C[C@H]1CC[C@@H](CC1)n1cnc(CC(N2CC[C@H](N)C2)C(O)=O)c1","InChI=1S/C17H28N4O2/c1-12-2-4-15(5-3-12)21-10-14(19-11-21)8-16(17(22)23)20-7-6-13(18)9-20/h10-13,15-16H,2-9,18H2,1H3,(H,22,23)/t12-,13-,15-,16?/m0/s1","VWNRFOAGDPZBET-ALLFYKQTSA-N",null,21]
[478,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135935","Nc1ccc(CC(C(O)=O)c2cn(Cc3ccccc3)cn2)cn1","InChI=1S/C18H18N4O2/c19-17-7-6-14(9-20-17)8-15(18(23)24)16-11-22(12-21-16)10-13-4-2-1-3-5-13/h1-7,9,11-12,15H,8,10H2,(H2,19,20)(H,23,24)","JEQHGJNDKUBBFJ-UHFFFAOYSA-N",null,21]
[479,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173926","CC(C)[C@H]1COCCC(=O)Nc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C24H37N5O6/c1-15(2)20-14-35-12-10-21(30)26-17-8-6-16(7-9-17)13-19(22(31)27-20)29-24(34)28-18(23(32)33)5-3-4-11-25/h6-9,15,18-20H,3-5,10-14,25H2,1-2H3,(H,26,30)(H,27,31)(H,32,33)(H2,28,29,34)/t18-,19+,20+/m0/s1","VSIDOZVYCSEJST-XUVXKRRUSA-N",null,22,{"$nulls":4},7.4,"25.00 C"]
[480,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM173926","CC(C)[C@H]1COCCC(=O)Nc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C24H37N5O6/c1-15(2)20-14-35-12-10-21(30)26-17-8-6-16(7-9-17)13-19(22(31)27-20)29-24(34)28-18(23(32)33)5-3-4-11-25/h6-9,15,18-20H,3-5,10-14,25H2,1-2H3,(H,26,30)(H,27,31)(H,32,33)(H2,28,29,34)/t18-,19+,20+/m0/s1","VSIDOZVYCSEJST-XUVXKRRUSA-N",null,22]
[481,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173929","CC(C)[C@H]1COCC(O)C(O)COc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C25H40N4O8/c1-15(2)20-12-36-13-21(30)22(31)14-37-17-8-6-16(7-9-17)11-19(23(32)27-20)29-25(35)28-18(24(33)34)5-3-4-10-26/h6-9,15,18-22,30-31H,3-5,10-14,26H2,1-2H3,(H,27,32)(H,33,34)(H2,28,29,35)/t18-,19+,20+,21?,22?/m0/s1","SMXQWQOLIUDIHX-HOGRCIIVSA-N",null,23,{"$nulls":4},7.4,"25.00 C"]
[482,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144336","CC(C)CCn1cnc(c1)C(Cc1cnc(N)c(C)c1)C(O)=O","InChI=1S/C17H24N4O2/c1-11(2)4-5-21-9-15(20-10-21)14(17(22)23)7-13-6-12(3)16(18)19-8-13/h6,8-11,14H,4-5,7H2,1-3H3,(H2,18,19)(H,22,23)","OZYRJZYEHVFCDS-UHFFFAOYSA-N",null,23]
[483,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144317","CC(C)CCn1cnc(c1)C(CCCCN)C(O)=O","InChI=1S/C14H25N3O2/c1-11(2)6-8-17-9-13(16-10-17)12(14(18)19)5-3-4-7-15/h9-12H,3-8,15H2,1-2H3,(H,18,19)","AOIWFDFLMKUPPW-UHFFFAOYSA-N",null,24]
[484,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326353","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(Cl)cc1","InChI=1S/C28H38ClN3O6/c1-8-36-23(33)28(22-17-31(18-30-22)21-13-11-20(29)12-14-21)16-19(28)10-9-15-32(24(34)37-26(2,3)4)25(35)38-27(5,6)7/h11-14,17-19H,8-10,15-16H2,1-7H3","QQHICDIVRINOOI-UHFFFAOYSA-N",null,25]
[485,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109248","NCCCC(Cc1cn(cn1)[C@H]1CC2CCC1C2)C(O)=O","InChI=1S/C16H25N3O2/c17-5-1-2-13(16(20)21)8-14-9-19(10-18-14)15-7-11-3-4-12(15)6-11/h9-13,15H,1-8,17H2,(H,20,21)/t11?,12?,13?,15-/m0/s1","MSFPTFZXHMPOFF-WOFVOEOOSA-N",null,25]
[486,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326378","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc2occc2c1","InChI=1S/C29H37N3O7/c1-27(2,3)38-25(34)32(26(35)39-28(4,5)6)13-8-9-20-16-29(20,24(33)36-7)23-17-31(18-30-23)21-10-11-22-19(15-21)12-14-37-22/h10-12,14-15,17-18,20H,8-9,13,16H2,1-7H3","HWWBGIAPNXCOMA-UHFFFAOYSA-N",null,26]
[487,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109243","NCCCC(Cc1cn(cn1)[C@H]1CC[C@H](O)CC1)C(O)=O","InChI=1S/C15H25N3O3/c16-7-1-2-11(15(20)21)8-12-9-18(10-17-12)13-3-5-14(19)6-4-13/h9-11,13-14,19H,1-8,16H2,(H,20,21)/t11?,13-,14-","CEXOYROFZTUKIF-RCWADLFESA-N",null,26]
[488,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197528","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1ccc(N)nc1)C(O)=O","InChI=1S/C27H43N5O5S/c1-26(2)19-11-12-27(26,3)22(15-19)30-24(33)20(13-17-7-5-4-6-8-17)31-38(36,37)32-21(25(34)35)14-18-9-10-23(28)29-16-18/h9-10,16-17,19-22,31-32H,4-8,11-15H2,1-3H3,(H2,28,29)(H,30,33)(H,34,35)/t19-,20+,21+,22+,27+/m1/s1","QHXMEEQJYRVZQW-HKVSAHRDSA-N",null,26]
[489,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326356","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc2ccccc2c1","InChI=1S/C32H41N3O6/c1-8-39-27(36)32(26-20-34(21-33-26)25-16-15-22-12-9-10-13-23(22)18-25)19-24(32)14-11-17-35(28(37)40-30(2,3)4)29(38)41-31(5,6)7/h9-10,12-13,15-16,18,20-21,24H,8,11,14,17,19H2,1-7H3","OOSFUHURBBEUAN-UHFFFAOYSA-N",null,27]
[490,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326341","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccccc1","InChI=1S/C27H37N3O6/c1-25(2,3)35-23(32)30(24(33)36-26(4,5)6)15-11-12-19-16-27(19,22(31)34-7)21-17-29(18-28-21)20-13-9-8-10-14-20/h8-10,13-14,17-19H,11-12,15-16H2,1-7H3","UJVDFWJVJPJVJK-UHFFFAOYSA-N",null,27]
[491,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173902","C[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C23H36N4O6/c1-16-15-32-12-4-5-13-33-18-9-7-17(8-10-18)14-20(21(28)25-16)27-23(31)26-19(22(29)30)6-2-3-11-24/h7-10,16,19-20H,2-6,11-15,24H2,1H3,(H,25,28)(H,29,30)(H2,26,27,31)/t16-,19-,20+/m0/s1","YWCJFURUASFZHP-FFZOFVMBSA-N",null,29,{"$nulls":4},7.4,"25.00 C"]
[492,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326339","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)C1CCCCC1","InChI=1S/C27H43N3O6/c1-25(2,3)35-23(32)30(24(33)36-26(4,5)6)15-11-12-19-16-27(19,22(31)34-7)21-17-29(18-28-21)20-13-9-8-10-14-20/h17-20H,8-16H2,1-7H3","QEDCJYLUJWBGTA-UHFFFAOYSA-N",null,29]
[493,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326360","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccccn1","InChI=1S/C27H38N4O6/c1-8-35-22(32)27(20-17-30(18-29-20)21-13-9-10-14-28-21)16-19(27)12-11-15-31(23(33)36-25(2,3)4)24(34)37-26(5,6)7/h9-10,13-14,17-19H,8,11-12,15-16H2,1-7H3","IUDKZRZTRYNEKG-UHFFFAOYSA-N",null,29]
[494,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326375","CC(C)(C)OC(=O)N(CCCC1CC1(C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(cc1)[N+]#[C-])C(=O)OC(C)(C)C","InChI=1S/C31H42N4O6/c1-28(2,3)39-25(36)31(24-19-34(20-33-24)23-15-13-22(32-10)14-16-23)18-21(31)12-11-17-35(26(37)40-29(4,5)6)27(38)41-30(7,8)9/h13-16,19-21H,11-12,17-18H2,1-9H3","FLSIKRXJRXEXHX-UHFFFAOYSA-N",null,29]
[495,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326374","CC(C)(C)OC(=O)N(CCCC1CC1(C(=O)OC(C)(C)C)c1cn(cn1)-c1ncccn1)C(=O)OC(C)(C)C","InChI=1S/C28H41N5O6/c1-25(2,3)37-21(34)28(20-17-32(18-31-20)22-29-13-11-14-30-22)16-19(28)12-10-15-33(23(35)38-26(4,5)6)24(36)39-27(7,8)9/h11,13-14,17-19H,10,12,15-16H2,1-9H3","OJVIIJZFNGAOQG-UHFFFAOYSA-N",null,30]
[496,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326346","CCc1ccc(cc1)-n1cnc(c1)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC","InChI=1S/C29H41N3O6/c1-9-20-12-14-22(15-13-20)31-18-23(30-19-31)29(24(33)36-8)17-21(29)11-10-16-32(25(34)37-27(2,3)4)26(35)38-28(5,6)7/h12-15,18-19,21H,9-11,16-17H2,1-8H3","LLJRRPLGGDYOEA-UHFFFAOYSA-N",null,31]
[497,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089702","NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O","InChI=1S/C26H44N4O4/c27-9-5-4-8-21(24(32)33)28-25(34)29-22(13-17-6-2-1-3-7-17)23(31)30-26-14-18-10-19(15-26)12-20(11-18)16-26/h17-22H,1-16,27H2,(H,30,31)(H,32,33)(H2,28,29,34)/t18?,19?,20?,21-,22+,26?/m0/s1","VKZAQVIYSIRHRU-LJHZMQABSA-N",null,31]
[498,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575778","COc1ccc(cc1)-c1cccc(F)c1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O","InChI=1S/C23H30FN2O5P/c1-31-18-9-7-17(8-10-18)19-5-4-6-21(24)20(19)15-26-13-14-32(29,30)23(16-26,22(27)28)11-2-3-12-25/h4-10H,2-3,11-16,25H2,1H3,(H,27,28)(H,29,30)/t23-/m0/s1","ODYNRMOUMKLRNU-QHCPKHFHSA-N",null,31]
[499,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173920","Nc1ccc(C[C@H](NC(=O)N[C@@H]2Cc3ccc(OCCCCOC[C@@H](NC2=O)C2CC2)cc3)C(O)=O)cn1","InChI=1S/C27H35N5O6/c28-24-10-5-18(15-29-24)14-22(26(34)35)32-27(36)31-21-13-17-3-8-20(9-4-17)38-12-2-1-11-37-16-23(19-6-7-19)30-25(21)33/h3-5,8-10,15,19,21-23H,1-2,6-7,11-14,16H2,(H2,28,29)(H,30,33)(H,34,35)(H2,31,32,36)/t21-,22+,23-/m1/s1","PZGKNOUEAVBGDC-XPWALMASSA-N",null,32,{"$nulls":4},7.4,"25.00 C"]
[500,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326391","C[C@H](CN)CC1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C16H20N4O2/c1-11(8-17)6-12-7-16(12,15(21)22)13-9-20(10-19-13)14-4-2-3-5-18-14/h2-5,9-12H,6-8,17H2,1H3,(H,21,22)/t11-,12?,16+/m0/s1","FKDQZBMTXAMQNM-QRUKAPELSA-N",null,33]
[501,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173930","CC(C)[C@H]1COCC(O)CCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C25H40N4O7/c1-16(2)22-15-35-14-18(30)10-12-36-19-8-6-17(7-9-19)13-21(23(31)27-22)29-25(34)28-20(24(32)33)5-3-4-11-26/h6-9,16,18,20-22,30H,3-5,10-15,26H2,1-2H3,(H,27,31)(H,32,33)(H2,28,29,34)/t18?,20-,21+,22+/m0/s1","HRYCSZDOJDGWOJ-DGWNDXHESA-N",null,33,{"$nulls":4},7.4,"25.00 C"]
[502,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109257","C[C@H](CN)C[C@H](Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O","InChI=1S/C17H29N3O2/c1-12-3-5-16(6-4-12)20-10-15(19-11-20)8-14(17(21)22)7-13(2)9-18/h10-14,16H,3-9,18H2,1-2H3,(H,21,22)/t12-,13-,14+,16-/m0/s1","OMGSNJPCQBNRPB-AYDFFVQHSA-N",null,34]
[503,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326367","COC(=O)C1(CC1CC(C)CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccccc1","InChI=1S/C28H39N3O6/c1-19(16-31(24(33)36-26(2,3)4)25(34)37-27(5,6)7)14-20-15-28(20,23(32)35-8)22-17-30(18-29-22)21-12-10-9-11-13-21/h9-13,17-20H,14-16H2,1-8H3","LUBPGZAVMNOCDD-UHFFFAOYSA-N",null,35]
[504,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326386","C[C@H](CN)C[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccc1","InChI=1S/C17H21N3O2/c1-12(9-18)7-13-8-17(13,16(21)22)15-10-20(11-19-15)14-5-3-2-4-6-14/h2-6,10-13H,7-9,18H2,1H3,(H,21,22)/t12-,13-,17+/m0/s1","TYNKRGKXUGBUBH-GDZNZVCISA-N",null,35]
[505,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109241","CC1CC(C1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C14H23N3O2/c1-10-5-13(6-10)17-8-12(16-9-17)7-11(14(18)19)3-2-4-15/h8-11,13H,2-7,15H2,1H3,(H,18,19)","RVVSJGCFVKMYPN-UHFFFAOYSA-N",null,35]
[506,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326371","CC(CCN)C1CC1(C(O)=O)c1cn(cn1)-c1ccccc1","InChI=1S/C17H21N3O2/c1-12(7-8-18)14-9-17(14,16(21)22)15-10-20(11-19-15)13-5-3-2-4-6-13/h2-6,10-12,14H,7-9,18H2,1H3,(H,21,22)","LIFRHKYTAAVMDJ-UHFFFAOYSA-N",null,36]
[507,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135940","CCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O","InChI=1S/C13H16N4O2/c1-2-17-7-11(16-8-17)10(13(18)19)5-9-3-4-12(14)15-6-9/h3-4,6-8,10H,2,5H2,1H3,(H2,14,15)(H,18,19)","HWISMQLAUIIGRF-UHFFFAOYSA-N",null,36]
[508,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326347","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(OC)cc1","InChI=1S/C28H39N3O7/c1-26(2,3)37-24(33)31(25(34)38-27(4,5)6)15-9-10-19-16-28(19,23(32)36-8)22-17-30(18-29-22)20-11-13-21(35-7)14-12-20/h11-14,17-19H,9-10,15-16H2,1-8H3","SLLSMVYOQQRTFQ-UHFFFAOYSA-N",null,36]
[509,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326343","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1cccc(C)c1","InChI=1S/C28H39N3O6/c1-19-11-9-13-21(15-19)30-17-22(29-18-30)28(23(32)35-8)16-20(28)12-10-14-31(24(33)36-26(2,3)4)25(34)37-27(5,6)7/h9,11,13,15,17-18,20H,10,12,14,16H2,1-8H3","JKNYRAZXPDRPMD-UHFFFAOYSA-N",null,37]
[510,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201428","OC(=O)C(CS)C1CCNCC1","InChI=1S/C8H15NO2S/c10-8(11)7(5-12)6-1-3-9-4-2-6/h6-7,9,12H,1-5H2,(H,10,11)","AYOUKDACKXEDFA-UHFFFAOYSA-N",null,37]
[511,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089754","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CS(=O)(=O)CCN)C(O)=O","InChI=1S/C25H44N4O6S/c1-24(2)17-9-10-25(24,3)14-19(17)27-21(30)18(13-16-7-5-4-6-8-16)28-23(33)29-20(22(31)32)15-36(34,35)12-11-26/h16-20H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)(H2,28,29,33)/t17?,18-,19?,20+,25?/m1/s1","NMYGKFJQKUMIDO-IFVPPNBGSA-N",null,38]
[512,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197541","NCCCC[C@H](NC(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CC2CCC1C2)C(O)=O","InChI=1S/C23H40N4O4/c24-11-5-4-8-18(22(29)30)26-23(31)27-20(13-15-6-2-1-3-7-15)21(28)25-19-14-16-9-10-17(19)12-16/h15-20H,1-14,24H2,(H,25,28)(H,29,30)(H2,26,27,31)/t16?,17?,18-,19?,20-/m0/s1","HKPGTWCJLYFZSN-KJPRWFPHSA-N",null,38]
[513,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326368","COC(=O)C1(CC1CC(C)CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(C)cc1","InChI=1S/C29H41N3O6/c1-19-10-12-22(13-11-19)31-17-23(30-18-31)29(24(33)36-9)15-21(29)14-20(2)16-32(25(34)37-27(3,4)5)26(35)38-28(6,7)8/h10-13,17-18,20-21H,14-16H2,1-9H3","WUABPXZRIPMTOY-UHFFFAOYSA-N",null,39]
[514,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089741","NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NC1CC2CCC1C2)C(O)=O","InChI=1S/C23H40N4O4/c24-11-5-4-8-18(22(29)30)26-23(31)27-20(13-15-6-2-1-3-7-15)21(28)25-19-14-16-9-10-17(19)12-16/h15-20H,1-14,24H2,(H,25,28)(H,29,30)(H2,26,27,31)/t16?,17?,18-,19?,20+/m0/s1","HKPGTWCJLYFZSN-AXGZHYKBSA-N",null,39]
[515,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326357","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1cccc(F)c1","InChI=1S/C28H38FN3O6/c1-8-36-23(33)28(22-17-31(18-30-22)21-13-9-12-20(29)15-21)16-19(28)11-10-14-32(24(34)37-26(2,3)4)25(35)38-27(5,6)7/h9,12-13,15,17-19H,8,10-11,14,16H2,1-7H3","GNXBOSHAQUUWGX-UHFFFAOYSA-N",null,40]
[516,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173928","CC(C)[C@H]1COCCNC(=O)c2ccc(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)cc2","InChI=1S/C26H34N6O6/c1-15(2)21-14-38-10-9-28-23(33)18-6-3-16(4-7-18)11-19(24(34)30-21)31-26(37)32-20(25(35)36)12-17-5-8-22(27)29-13-17/h3-8,13,15,19-21H,9-12,14H2,1-2H3,(H2,27,29)(H,28,33)(H,30,34)(H,35,36)(H2,31,32,37)/t19-,20+,21-/m1/s1","TXPMYHVVLIAOAI-QHAWAJNXSA-N",null,40,{"$nulls":4},7.4,"25.00 C"]
[517,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326401","CCC[C@@H](CN)C[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C18H24N4O2/c1-2-5-13(10-19)8-14-9-18(14,17(23)24)15-11-22(12-21-15)16-6-3-4-7-20-16/h3-4,6-7,11-14H,2,5,8-10,19H2,1H3,(H,23,24)/t13-,14+,18-/m1/s1","VWJRFIBJYVHSGS-QWQRMKEZSA-N",null,41]
[518,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008272","CC(C)CCn1cnc2C[C@@](CCCN)(CCc12)C(O)=O","InChI=1S/C16H27N3O2.ClH/c1-12(2)5-9-19-11-18-13-10-16(15(20)21,6-3-8-17)7-4-14(13)19;/h11-12H,3-10,17H2,1-2H3,(H,20,21);1H/t16-;/m1./s1","ZKDOGGVTIBLFAB-PKLMIRHRSA-N",null,"<41"]
[519,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008279","Cl.NCCC[C@]1(CCn2c(C1)ncc2-c1cccc(c1)-c1ccc(Cl)cc1Cl)C(O)=O","InChI=1S/C23H23Cl2N3O2.ClH/c24-17-5-6-18(19(25)12-17)15-3-1-4-16(11-15)20-14-27-21-13-23(22(29)30,7-2-9-26)8-10-28(20)21;/h1,3-6,11-12,14H,2,7-10,13,26H2,(H,29,30);1H/t23-;/m1./s1","IOOZRTSDGXVNMZ-GNAFDRTKSA-N",null,"<41"]
[520,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326345","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(C)c(C)c1","InChI=1S/C29H41N3O6/c1-19-12-13-22(15-20(19)2)31-17-23(30-18-31)29(24(33)36-9)16-21(29)11-10-14-32(25(34)37-27(3,4)5)26(35)38-28(6,7)8/h12-13,15,17-18,21H,10-11,14,16H2,1-9H3","MBUJRUXYFIOFLK-UHFFFAOYSA-N",null,42]
[521,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50547477","CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)c2coc1n2)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C21H34N6O6/c1-12(2)16-19-24-15(11-33-19)17(28)23-10-6-4-7-13(18(29)27-16)25-21(32)26-14(20(30)31)8-3-5-9-22/h11-14,16H,3-10,22H2,1-2H3,(H,23,28)(H,27,29)(H,30,31)(H2,25,26,32)/t13-,14+,16+/m1/s1","IVSZWCXUYIMPML-YCPHGPKFSA-N",null,42]
[522,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197542","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCNC(N)=N)C(O)=O","InChI=1S/C25H46N6O5S/c1-24(2)17-11-12-25(24,3)20(15-17)29-21(32)19(14-16-8-5-4-6-9-16)31-37(35,36)30-18(22(33)34)10-7-13-28-23(26)27/h16-20,30-31H,4-15H2,1-3H3,(H,29,32)(H,33,34)(H4,26,27,28)/t17-,18+,19+,20+,25+/m1/s1","IXONGSRYYIUNOM-PDGNJTGUSA-N",null,49]
[523,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173900","CCC[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C25H40N4O6/c1-2-7-19-17-34-14-5-6-15-35-20-11-9-18(10-12-20)16-22(23(30)27-19)29-25(33)28-21(24(31)32)8-3-4-13-26/h9-12,19,21-22H,2-8,13-17,26H2,1H3,(H,27,30)(H,31,32)(H2,28,29,33)/t19-,21-,22+/m0/s1","MUSDITPAESWTFE-ILWGZMRPSA-N",null,49,{"$nulls":4},7.4,"25.00 C"]
[524,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135937","Cn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O","InChI=1S/C12H14N4O2/c1-16-6-10(15-7-16)9(12(17)18)4-8-2-3-11(13)14-5-8/h2-3,5-7,9H,4H2,1H3,(H2,13,14)(H,17,18)","LWFBPJVVEKHBIQ-UHFFFAOYSA-N",null,50]
[525,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197526","Cl.CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C25H46N4O5S.ClH/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26;/h17-21,28-29H,4-16,26H2,1-3H3,(H,27,30)(H,31,32);1H/t18-,19+,20+,21+,25+;/m1./s1","SXAUCWSUBICAAS-LZZNFXAASA-N",null,51]
[526,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326351","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(Oc2ccccc2)cc1","InChI=1S/C33H41N3O7/c1-31(2,3)42-29(38)36(30(39)43-32(4,5)6)19-11-12-23-20-33(23,28(37)40-7)27-21-35(22-34-27)24-15-17-26(18-16-24)41-25-13-9-8-10-14-25/h8-10,13-18,21-23H,11-12,19-20H2,1-7H3","IZYLTBGVWKUOEO-UHFFFAOYSA-N",null,52]
[527,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135938","CC(C)n1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O","InChI=1S/C14H18N4O2/c1-9(2)18-7-12(17-8-18)11(14(19)20)5-10-3-4-13(15)16-6-10/h3-4,6-9,11H,5H2,1-2H3,(H2,15,16)(H,19,20)","FOEIIYROBVUQFU-UHFFFAOYSA-N",null,52]
[528,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50547478","CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccc(NC(=O)c3coc1n3)cc2)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C24H32N6O6/c1-13(2)19-22-27-18(12-36-22)21(32)26-15-8-6-14(7-9-15)11-17(20(31)30-19)29-24(35)28-16(23(33)34)5-3-4-10-25/h6-9,12-13,16-17,19H,3-5,10-11,25H2,1-2H3,(H,26,32)(H,30,31)(H,33,34)(H2,28,29,35)/t16-,17+,19-/m0/s1","YGCAFIQDVRSRNM-SCTDSRPQSA-N",null,52]
[529,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173921","CC(C)[C@H]1COCCCCC2=CC(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)=CC2","InChI=1S/C26H37N5O5/c1-16(2)22-15-36-10-4-3-5-17-6-7-18(11-17)12-20(24(32)29-22)30-26(35)31-21(25(33)34)13-19-8-9-23(27)28-14-19/h7-9,11,14,16,20-22H,3-6,10,12-13,15H2,1-2H3,(H2,27,28)(H,29,32)(H,33,34)(H2,30,31,35)/t20-,21+,22-/m1/s1","BOLKYYSEIHZCKO-BHIFYINESA-N",null,52,{"$nulls":4},7.4,"25.00 C"]
[530,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173932","CC(C)[C@H]1COCCCCOC[C@@H](NC(=O)N[C@H](CCCCN)C(O)=O)C(=O)N1","InChI=1S/C19H36N4O6/c1-13(2)15-11-28-9-5-6-10-29-12-16(17(24)21-15)23-19(27)22-14(18(25)26)7-3-4-8-20/h13-16H,3-12,20H2,1-2H3,(H,21,24)(H,25,26)(H2,22,23,27)/t14-,15-,16-/m1/s1","FQONWTZXYFYCBR-BZUAXINKSA-N",null,53,{"$nulls":4},7.4,"25.00 C"]
[531,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326382","NCCCC1CC1(C(O)=O)c1cn(cn1)-c1cccc2ccccc12","InChI=1S/C20H21N3O2/c21-10-4-7-15-11-20(15,19(24)25)18-12-23(13-22-18)17-9-3-6-14-5-1-2-8-16(14)17/h1-3,5-6,8-9,12-13,15H,4,7,10-11,21H2,(H,24,25)","UDAZMQUJRCWMDT-UHFFFAOYSA-N",null,54]
[532,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173924","CC(C)[C@H]1COCCCCOC[C@@H](NC(=O)N[C@H](Cc2ccc(N)nc2)C(O)=O)C(=O)N1","InChI=1S/C21H33N5O6/c1-13(2)16-11-31-7-3-4-8-32-12-17(19(27)24-16)26-21(30)25-15(20(28)29)9-14-5-6-18(22)23-10-14/h5-6,10,13,15-17H,3-4,7-9,11-12H2,1-2H3,(H2,22,23)(H,24,27)(H,28,29)(H2,25,26,30)/t15-,16-,17-/m1/s1","YUFHUHQAWMPSLE-BRWVUGGUSA-N",null,55,{"$nulls":4},7.4,"25.00 C"]
[533,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089743","CC(C)C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC1CC2(C)CCC1C2(C)C","InChI=1S/C23H42N4O4/c1-14(2)12-17(27-21(31)26-16(20(29)30)8-6-7-11-24)19(28)25-18-13-23(5)10-9-15(18)22(23,3)4/h14-18H,6-13,24H2,1-5H3,(H,25,28)(H,29,30)(H2,26,27,31)/t15?,16-,17+,18?,23?/m0/s1","DPOMCPGADCDXDE-PPFFOOAHSA-N",null,57]
[534,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326377","CC(C)(C)OC(=O)N(CCCC1CC1(C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc2ccccc2n1)C(=O)OC(C)(C)C","InChI=1S/C33H44N4O6/c1-30(2,3)41-27(38)33(25-20-36(21-34-25)26-17-16-22-13-10-11-15-24(22)35-26)19-23(33)14-12-18-37(28(39)42-31(4,5)6)29(40)43-32(7,8)9/h10-11,13,15-17,20-21,23H,12,14,18-19H2,1-9H3","YXBMHZSYHQXKBM-UHFFFAOYSA-N",null,58]
[535,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326373","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1nccs1","InChI=1S/C24H34N4O6S/c1-22(2,3)33-20(30)28(21(31)34-23(4,5)6)11-8-9-16-13-24(16,18(29)32-7)17-14-27(15-26-17)19-25-10-12-35-19/h10,12,14-16H,8-9,11,13H2,1-7H3","GIGUTGHDSMNTJU-UHFFFAOYSA-N",null,58]
[536,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173931","CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C24H40N4O7S/c1-17(2)22-16-34-13-5-6-14-35-19-10-8-18(9-11-19)15-21(23(29)26-22)28-36(32,33)27-20(24(30)31)7-3-4-12-25/h8-11,17,20-22,27-28H,3-7,12-16,25H2,1-2H3,(H,26,29)(H,30,31)/t20-,21+,22+/m0/s1","UHDSHGDMNRMYEP-BHDDXSALSA-N",null,59,{"$nulls":4},7.4,"25.00 C"]
[537,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326352","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(F)c(F)c1","InChI=1S/C27H35F2N3O6/c1-25(2,3)37-23(34)32(24(35)38-26(4,5)6)12-8-9-17-14-27(17,22(33)36-7)21-15-31(16-30-21)18-10-11-19(28)20(29)13-18/h10-11,13,15-17H,8-9,12,14H2,1-7H3","UZMGUAFNSMLASL-UHFFFAOYSA-N",null,61]
[538,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326380","CC(C)(C)OC(=O)NCCCC1CC1(C#N)c1cn(cn1)-c1ccc(Cl)cn1","InChI=1S/C20H24ClN5O2/c1-19(2,3)28-18(27)23-8-4-5-14-9-20(14,12-22)16-11-26(13-25-16)17-7-6-15(21)10-24-17/h6-7,10-11,13-14H,4-5,8-9H2,1-3H3,(H,23,27)","IUDMMFRBQQBMGJ-UHFFFAOYSA-N",null,63]
[539,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008278","NCCC[C@]1(CCn2c(C1)ncc2-c1ccccc1)C(O)=O","InChI=1S/C17H21N3O2/c18-9-4-7-17(16(21)22)8-10-20-14(12-19-15(20)11-17)13-5-2-1-3-6-13/h1-3,5-6,12H,4,7-11,18H2,(H,21,22)/t17-/m1/s1","QUVXXNLGVUXFKY-QGZVFWFLSA-N",null,66]
[540,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135933","Nc1ccc(CC(C(O)=O)c2cnc[nH]2)cn1","InChI=1S/C11H12N4O2/c12-10-2-1-7(4-14-10)3-8(11(16)17)9-5-13-6-15-9/h1-2,4-6,8H,3H2,(H2,12,14)(H,13,15)(H,16,17)","IFHWJTOFROTZBD-UHFFFAOYSA-N",null,67]
[541,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197549","CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C25H46N4O5S/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26/h17-21,28-29H,4-16,26H2,1-3H3,(H,27,30)(H,31,32)/t18-,19+,20+,21-,25+/m1/s1","IQHARPQKKWCGEY-ZJTKBAOVSA-N",null,69]
[542,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326354","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1cccc(Cl)c1","InChI=1S/C28H38ClN3O6/c1-8-36-23(33)28(22-17-31(18-30-22)21-13-9-12-20(29)15-21)16-19(28)11-10-14-32(24(34)37-26(2,3)4)25(35)38-27(5,6)7/h9,12-13,15,17-19H,8,10-11,14,16H2,1-7H3","KTLVMHNIYOLAOG-UHFFFAOYSA-N",null,70]
[543,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197565","CC(=N)NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C)C(O)=O","InChI=1S/C27H49N5O5S/c1-18(28)29-15-9-8-12-21(25(34)35)31-38(36,37)32-22(16-19-10-6-5-7-11-19)24(33)30-23-17-20-13-14-27(23,4)26(20,2)3/h19-23,31-32H,5-17H2,1-4H3,(H2,28,29)(H,30,33)(H,34,35)/t20-,21+,22+,23+,27+/m1/s1","KDZLEJFZLYETPK-BXOWXZKISA-N",null,71]
[544,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173897","NCCCC[C@H](NC(=O)N[C@@H]1Cc2ccc(OCCCCOC[C@@H](NC1=O)c1ccccc1)cc2)C(O)=O","InChI=1S/C28H38N4O6/c29-15-5-4-10-23(27(34)35)31-28(36)32-24-18-20-11-13-22(14-12-20)38-17-7-6-16-37-19-25(30-26(24)33)21-8-2-1-3-9-21/h1-3,8-9,11-14,23-25H,4-7,10,15-19,29H2,(H,30,33)(H,34,35)(H2,31,32,36)/t23-,24+,25+/m0/s1","WBXDQFAEOODUOF-ISJGIBHGSA-N",null,71,{"$nulls":4},7.4,"25.00 C"]
[545,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326400","Cc1cccc(n1)-n1cnc(c1)C1(CC1CCCN)C(O)=O","InChI=1S/C16H20N4O2/c1-11-4-2-6-14(19-11)20-9-13(18-10-20)16(15(21)22)8-12(16)5-3-7-17/h2,4,6,9-10,12H,3,5,7-8,17H2,1H3,(H,21,22)","PQJZOQPXUZKPLX-UHFFFAOYSA-N",null,73]
[546,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008271","CCCn1cnc2C[C@@](CCCN)(CCc12)C(O)=O","InChI=1S/C14H23N3O2/c1-2-8-17-10-16-11-9-14(13(18)19,5-3-7-15)6-4-12(11)17/h10H,2-9,15H2,1H3,(H,18,19)/t14-/m1/s1","DPDWQELEXVLQSO-CQSZACIVSA-N",null,76]
[547,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135933","Nc1ccc(CC(C(O)=O)c2cnc[nH]2)cn1","InChI=1S/C11H12N4O2/c12-10-2-1-7(4-14-10)3-8(11(16)17)9-5-13-6-15-9/h1-2,4-6,8H,3H2,(H2,12,14)(H,13,15)(H,16,17)","IFHWJTOFROTZBD-UHFFFAOYSA-N",null,80]
[548,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008273","NCCC[C@]1(CCc2c(C1)ncn2C1CCCCC1)C(O)=O","InChI=1S/C17H27N3O2/c18-10-4-8-17(16(21)22)9-7-15-14(11-17)19-12-20(15)13-5-2-1-3-6-13/h12-13H,1-11,18H2,(H,21,22)/t17-/m1/s1","HYXCCZTWQBSAJR-QGZVFWFLSA-N",null,80]
[549,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197576","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C24H44N4O5S/c1-23(2)17-11-12-24(23,3)20(15-17)26-21(29)19(14-16-8-4-5-9-16)28-34(32,33)27-18(22(30)31)10-6-7-13-25/h16-20,27-28H,4-15,25H2,1-3H3,(H,26,29)(H,30,31)/t17-,18+,19+,20+,24+/m1/s1","XZBPLRVPQOOLLT-LJTNYMJHSA-N",null,81]
[550,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575763","NCCCCC1(CN(Cc2ccccc2Br)CCP1(O)=O)C(O)=O","InChI=1S/C16H24BrN2O4P/c17-14-6-2-1-5-13(14)11-19-9-10-24(22,23)16(12-19,15(20)21)7-3-4-8-18/h1-2,5-6H,3-4,7-12,18H2,(H,20,21)(H,22,23)","UTNAZQAXWAOANT-UHFFFAOYSA-N",null,87]
[551,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008269","C[C@@H](S)[C@@H](Cc1ccc(N)nc1)C(O)=O","InChI=1S/C10H14N2O2S/c1-6(15)8(10(13)14)4-7-2-3-9(11)12-5-7/h2-3,5-6,8,15H,4H2,1H3,(H2,11,12)(H,13,14)/t6-,8-/m1/s1","GYIYAOUGKJSCCG-HTRCEHHLSA-N",null,87]
[552,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326338","CCCn1cnc(c1)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC","InChI=1S/C24H39N3O6/c1-9-12-26-15-18(25-16-26)24(19(28)31-8)14-17(24)11-10-13-27(20(29)32-22(2,3)4)21(30)33-23(5,6)7/h15-17H,9-14H2,1-8H3","XHKYYAOMHHKCJP-UHFFFAOYSA-N",null,97]
[553,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326359","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1cccnc1","InChI=1S/C27H38N4O6/c1-8-35-22(32)27(21-17-30(18-29-21)20-12-9-13-28-16-20)15-19(27)11-10-14-31(23(33)36-25(2,3)4)24(34)37-26(5,6)7/h9,12-13,16-19H,8,10-11,14-15H2,1-7H3","ODVCYHBLCRTKDE-UHFFFAOYSA-N",null,98]
[554,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326349","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(\\C=C\\c2ccccc2)cn1","InChI=1S/C29H39N3O6/c1-27(2,3)37-25(34)32(26(35)38-28(4,5)6)16-11-14-22-18-29(22,24(33)36-7)23-19-31(20-30-23)17-15-21-12-9-8-10-13-21/h8-10,12-13,15,17,19-20,22H,11,14,16,18H2,1-7H3/b17-15+","RFSLRCSKCVQREA-BMRADRMJSA-N",null,99]
[555,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089757","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCONC(N)=N)C(O)=O","InChI=1S/C25H44N6O5/c1-24(2)16-9-11-25(24,3)14-19(16)28-20(32)18(13-15-7-5-4-6-8-15)30-23(35)29-17(21(33)34)10-12-36-31-22(26)27/h15-19H,4-14H2,1-3H3,(H,28,32)(H,33,34)(H4,26,27,31)(H2,29,30,35)/t16?,17-,18+,19?,25?/m0/s1","IHAGBLBQHAZSFU-STDKCPAXSA-N",null,100]
[556,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326362","COC(=O)[C@@]1(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(CCC(C)(C)C)cn1","InChI=1S/C27H45N3O6/c1-24(2,3)13-15-29-17-20(28-18-29)27(21(31)34-10)16-19(27)12-11-14-30(22(32)35-25(4,5)6)23(33)36-26(7,8)9/h17-19H,11-16H2,1-10H3/t19-,27+/m0/s1","XFYXHUURPYELSU-UZTOHYMASA-N",null,">100.0"]
[557,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326402","CCC[C@@H](CN)C[C@@H]1C[C@@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C18H24N4O2/c1-2-5-13(10-19)8-14-9-18(14,17(23)24)15-11-22(12-21-15)16-6-3-4-7-20-16/h3-4,6-7,11-14H,2,5,8-10,19H2,1H3,(H,23,24)/t13-,14-,18+/m1/s1","VWJRFIBJYVHSGS-LBTNJELSSA-N",null,">100.0"]
[558,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575741","NCCCC[C@]1(CN(Cc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C16H25N2O4P/c17-9-5-4-8-16(15(19)20)13-18(10-11-23(16,21)22)12-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13,17H2,(H,19,20)(H,21,22)/t16-/m0/s1","ZNSVXALGZJWZDW-INIZCTEOSA-N",null,100]
[559,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109251","C[C@H]1CC[C@@H](CC1)n1cnc(C[C@@H](CCCN)C(O)=O)c1","InChI=1S/C16H27N3O2/c1-12-4-6-15(7-5-12)19-10-14(18-11-19)9-13(16(20)21)3-2-8-17/h10-13,15H,2-9,17H2,1H3,(H,20,21)/t12-,13-,15-/m1/s1","AEHFUSPLVGWEEP-UMVBOHGHSA-N",null,">1.0e+2"]
[560,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109259","C[C@@H](CN)C[C@H](Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O","InChI=1S/C17H29N3O2/c1-12-3-5-16(6-4-12)20-10-15(19-11-20)8-14(17(21)22)7-13(2)9-18/h10-14,16H,3-9,18H2,1-2H3,(H,21,22)/t12-,13-,14-,16-/m1/s1","OMGSNJPCQBNRPB-IXYNUQLISA-N",null,">1.0e+2"]
[561,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008272","CC(C)CCn1cnc2C[C@@](CCCN)(CCc12)C(O)=O","InChI=1S/C16H27N3O2.ClH/c1-12(2)5-9-19-11-18-13-10-16(15(20)21,6-3-8-17)7-4-14(13)19;/h11-12H,3-10,17H2,1-2H3,(H,20,21);1H/t16-;/m1./s1","ZKDOGGVTIBLFAB-PKLMIRHRSA-N",null,100]
[562,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326372","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1cccs1","InChI=1S/C25H35N3O6S/c1-23(2,3)33-21(30)28(22(31)34-24(4,5)6)12-8-10-17-14-25(17,20(29)32-7)18-15-27(16-26-18)19-11-9-13-35-19/h9,11,13,15-17H,8,10,12,14H2,1-7H3","YUTZPEWUFUNCCP-UHFFFAOYSA-N",null,100]
[563,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144316","Cc1cc(CC(C(O)=O)c2cnc[nH]2)cnc1N","InChI=1S/C12H14N4O2/c1-7-2-8(4-15-11(7)13)3-9(12(17)18)10-5-14-6-16-10/h2,4-6,9H,3H2,1H3,(H2,13,15)(H,14,16)(H,17,18)","XKXDTPUXXDHNME-UHFFFAOYSA-N",null,100]
[564,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144325","CCn1cnc(c1)C(C[C@H]1CC[C@H](N)C1)C(O)=O","InChI=1S/C13H21N3O2/c1-2-16-7-12(15-8-16)11(13(17)18)6-9-3-4-10(14)5-9/h7-11H,2-6,14H2,1H3,(H,17,18)/t9-,10-,11?/m0/s1","VMERNPBLGUMYOA-QRHSGQBVSA-N",null,100]
[565,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575757","NCCCCC1(CN(Cc2ccc(O)cc2)CCP1(O)=O)C(O)=O","InChI=1S/C16H25N2O5P/c17-8-2-1-7-16(15(20)21)12-18(9-10-24(16,22)23)11-13-3-5-14(19)6-4-13/h3-6,19H,1-2,7-12,17H2,(H,20,21)(H,22,23)","RPSUUUMUOBONAG-UHFFFAOYSA-N",null,101]
[566,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173898","NCCCC[C@H](NC(=O)N[C@@H]1Cc2ccc(OCCCCOC[C@H](Cc3ccccc3)NC1=O)cc2)C(O)=O","InChI=1S/C29H40N4O6/c30-15-5-4-10-25(28(35)36)32-29(37)33-26-19-22-11-13-24(14-12-22)39-17-7-6-16-38-20-23(31-27(26)34)18-21-8-2-1-3-9-21/h1-3,8-9,11-14,23,25-26H,4-7,10,15-20,30H2,(H,31,34)(H,35,36)(H2,32,33,37)/t23-,25-,26+/m0/s1","ULIRNVGVKBVODJ-AYRHNUGRSA-N",null,105,{"$nulls":4},7.4,"25.00 C"]
[567,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008274","NCCC[C@]1(CCc2c(C1)ncn2Cc1cccc(c1)-c1ccccc1)C(O)=O","InChI=1S/C24H27N3O2/c25-13-5-11-24(23(28)29)12-10-22-21(15-24)26-17-27(22)16-18-6-4-9-20(14-18)19-7-2-1-3-8-19/h1-4,6-9,14,17H,5,10-13,15-16,25H2,(H,28,29)/t24-/m1/s1","XFDUWSDSIRIRFB-XMMPIXPASA-N",null,106]
[568,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089740","C[C@H](NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O)c1ccc(Cl)cc1","InChI=1S/C24H37ClN4O4/c1-16(18-10-12-19(25)13-11-18)27-22(30)21(15-17-7-3-2-4-8-17)29-24(33)28-20(23(31)32)9-5-6-14-26/h10-13,16-17,20-21H,2-9,14-15,26H2,1H3,(H,27,30)(H,31,32)(H2,28,29,33)/t16-,20-,21+/m0/s1","XPYKQDYZHBTVDV-ORYQWCPZSA-N",null,110]
[569,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089753","N[C@H]1C[C@H](CC(NC(=O)N[C@H](CC2CCCCC2)C(=O)NC2CC3CCC2C3)C(O)=O)C1","InChI=1S/C24H40N4O4/c25-18-9-16(10-18)13-21(23(30)31)28-24(32)27-20(11-14-4-2-1-3-5-14)22(29)26-19-12-15-6-7-17(19)8-15/h14-21H,1-13,25H2,(H,26,29)(H,30,31)(H2,27,28,32)/t15?,16-,17?,18-,19?,20-,21?/m1/s1","NLBFGJCTTDZYBN-NCZDBTGRSA-N",null,110]
[570,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008273","NCCC[C@]1(CCc2c(C1)ncn2C1CCCCC1)C(O)=O","InChI=1S/C17H27N3O2/c18-10-4-8-17(16(21)22)9-7-15-14(11-17)19-12-20(15)13-5-2-1-3-6-13/h12-13H,1-11,18H2,(H,21,22)/t17-/m1/s1","HYXCCZTWQBSAJR-QGZVFWFLSA-N",null,117]
[571,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089737","NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NCC(c1ccccc1)c1ccccc1)C(O)=O","InChI=1S/C30H42N4O4/c31-19-11-10-18-26(29(36)37)33-30(38)34-27(20-22-12-4-1-5-13-22)28(35)32-21-25(23-14-6-2-7-15-23)24-16-8-3-9-17-24/h2-3,6-9,14-17,22,25-27H,1,4-5,10-13,18-21,31H2,(H,32,35)(H,36,37)(H2,33,34,38)/t26-,27+/m0/s1","MAADCGOFVALXMT-RRPNLBNLSA-N",null,120]
[572,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197526","Cl.CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C25H46N4O5S.ClH/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26;/h17-21,28-29H,4-16,26H2,1-3H3,(H,27,30)(H,31,32);1H/t18-,19+,20+,21+,25+;/m1./s1","SXAUCWSUBICAAS-LZZNFXAASA-N",null,123]
[573,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008275","NCCCC1(CCc2c(C1)ncn2CCC1CCC(CC1)C1CCCCC1)C(O)=O","InChI=1S/C25H41N3O2/c26-15-4-13-25(24(29)30)14-11-23-22(17-25)27-18-28(23)16-12-19-7-9-21(10-8-19)20-5-2-1-3-6-20/h18-21H,1-17,26H2,(H,29,30)","KUVAYHVUNQWSPM-UHFFFAOYSA-N",null,124]
[574,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575761","NCCCCC1(CN(Cc2ccc(F)cc2)CCP1(O)=O)C(O)=O","InChI=1S/C16H24FN2O4P/c17-14-5-3-13(4-6-14)11-19-9-10-24(22,23)16(12-19,15(20)21)7-1-2-8-18/h3-6H,1-2,7-12,18H2,(H,20,21)(H,22,23)","BPGDVCHLKUNYCG-UHFFFAOYSA-N",null,127]
[575,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201437","OC(=O)C(CS)CC1CCCNC1","InChI=1S/C9H17NO2S/c11-9(12)8(6-13)4-7-2-1-3-10-5-7/h7-8,10,13H,1-6H2,(H,11,12)","XILWRBHKVRYWMD-UHFFFAOYSA-N",null,129]
[576,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089700","C[C@H](NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O)C1CCCCC1","InChI=1S/C24H44N4O4/c1-17(19-12-6-3-7-13-19)26-22(29)21(16-18-10-4-2-5-11-18)28-24(32)27-20(23(30)31)14-8-9-15-25/h17-21H,2-16,25H2,1H3,(H,26,29)(H,30,31)(H2,27,28,32)/t17-,20-,21+/m0/s1","AFPITHMSIWIQKS-DZFGPLHGSA-N",null,130]
[577,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197578","C[C@H]1[C@@H]2C[C@H](C[C@@H]1NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C2(C)C","InChI=1S/C25H46N4O5S/c1-16-19-14-18(25(19,2)3)15-21(16)27-23(30)22(13-17-9-5-4-6-10-17)29-35(33,34)28-20(24(31)32)11-7-8-12-26/h16-22,28-29H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)/t16-,18+,19-,20-,21-,22-/m0/s1","CVNHXUCHQVVMEP-QOLIXYQJSA-N",null,130]
[578,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201435","OC(=O)C(CS)CC1CCNCC1","InChI=1S/C9H17NO2S/c11-9(12)8(6-13)5-7-1-3-10-4-2-7/h7-8,10,13H,1-6H2,(H,11,12)","ZYVSJXROQJSTDA-UHFFFAOYSA-N",null,139]
[579,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326355","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccccc1Cl","InChI=1S/C28H38ClN3O6/c1-8-36-23(33)28(22-17-31(18-30-22)21-14-10-9-13-20(21)29)16-19(28)12-11-15-32(24(34)37-26(2,3)4)25(35)38-27(5,6)7/h9-10,13-14,17-19H,8,11-12,15-16H2,1-7H3","DJUGKLDQGDPBHX-UHFFFAOYSA-N",null,140]
[580,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326348","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(cc1)C(F)(F)F","InChI=1S/C28H36F3N3O6/c1-25(2,3)39-23(36)34(24(37)40-26(4,5)6)14-8-9-19-15-27(19,22(35)38-7)21-16-33(17-32-21)20-12-10-18(11-13-20)28(29,30)31/h10-13,16-17,19H,8-9,14-15H2,1-7H3","LNIIFDBADSSEJA-UHFFFAOYSA-N",null,140]
[581,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575760","NCCCCC1(CN(Cc2ccccc2Cl)CCP1(O)=O)C(O)=O","InChI=1S/C16H24ClN2O4P/c17-14-6-2-1-5-13(14)11-19-9-10-24(22,23)16(12-19,15(20)21)7-3-4-8-18/h1-2,5-6H,3-4,7-12,18H2,(H,20,21)(H,22,23)","MDZLUBDITWWUHN-UHFFFAOYSA-N",null,161]
[582,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201429","NC(=N)N1CCCC(C1)C(CS)C(O)=O","InChI=1S/C9H17N3O2S/c10-9(11)12-3-1-2-6(4-12)7(5-15)8(13)14/h6-7,15H,1-5H2,(H3,10,11)(H,13,14)","HNBJSRXHGCYXNR-UHFFFAOYSA-N",null,165]
[583,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197556","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C25H40N4O5S/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26/h4-6,9-10,18-21,28-29H,7-8,11-16,26H2,1-3H3,(H,27,30)(H,31,32)/t18-,19+,20+,21+,25+/m1/s1","CQFRJAFNJDXKLZ-PHGOAHNDSA-N",null,170]
[584,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197557","NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CC2CC1C1CCCC21)C(O)=O","InChI=1S/C25H44N4O5S/c26-12-5-4-11-21(25(31)32)28-35(33,34)29-23(13-16-7-2-1-3-8-16)24(30)27-22-15-17-14-20(22)19-10-6-9-18(17)19/h16-23,28-29H,1-15,26H2,(H,27,30)(H,31,32)/t17?,18?,19?,20?,21-,22?,23-/m0/s1","SLROOTQKYKGVCV-SWISWOKGSA-N",null,170]
[585,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089694","NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NC1CCCCC1)C(O)=O","InChI=1S/C22H40N4O4/c23-14-8-7-13-18(21(28)29)25-22(30)26-19(15-16-9-3-1-4-10-16)20(27)24-17-11-5-2-6-12-17/h16-19H,1-15,23H2,(H,24,27)(H,28,29)(H2,25,26,30)/t18-,19+/m0/s1","CMEXWCUZEGJTGX-RBUKOAKNSA-N",null,170]
[586,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326358","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccncc1","InChI=1S/C27H38N4O6/c1-8-35-22(32)27(21-17-30(18-29-21)20-11-13-28-14-12-20)16-19(27)10-9-15-31(23(33)36-25(2,3)4)24(34)37-26(5,6)7/h11-14,17-19H,8-10,15-16H2,1-7H3","SCXGYZUIGNKQEJ-UHFFFAOYSA-N",null,170]
[587,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575758","NCCCCC1(CN(Cc2ccc(Cl)cc2)CCP1(O)=O)C(O)=O","InChI=1S/C16H24ClN2O4P/c17-14-5-3-13(4-6-14)11-19-9-10-24(22,23)16(12-19,15(20)21)7-1-2-8-18/h3-6H,1-2,7-12,18H2,(H,20,21)(H,22,23)","VPMVFZPVAJMUAF-UHFFFAOYSA-N",null,183]
[588,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089695","CCC(C)C(C)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C22H42N4O4/c1-4-15(2)16(3)24-20(27)19(14-17-10-6-5-7-11-17)26-22(30)25-18(21(28)29)12-8-9-13-23/h15-19H,4-14,23H2,1-3H3,(H,24,27)(H,28,29)(H2,25,26,30)/t15?,16?,18-,19+/m0/s1","QESTYHACMRZORU-YVZJPGBNSA-N",null,190]
[589,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575755","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccsc2)CCP1(O)=O)C(O)=O","InChI=1S/C14H23N2O4PS.C2HF3O2/c15-5-2-1-4-14(13(17)18)11-16(6-7-21(14,19)20)9-12-3-8-22-10-12;3-2(4,5)1(6)7/h3,8,10H,1-2,4-7,9,11,15H2,(H,17,18)(H,19,20);(H,6,7)","NUTGTRXBOUVQLS-UHFFFAOYSA-N",null,200]
[590,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197543","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1cccnc1)C(O)=O","InChI=1S/C27H42N4O5S/c1-26(2)20-11-12-27(26,3)23(16-20)29-24(32)21(14-18-8-5-4-6-9-18)30-37(35,36)31-22(25(33)34)15-19-10-7-13-28-17-19/h7,10,13,17-18,20-23,30-31H,4-6,8-9,11-12,14-16H2,1-3H3,(H,29,32)(H,33,34)/t20-,21+,22+,23+,27+/m1/s1","XYTYVEVWWTZSIW-BXOWXZKISA-N",null,200]
[591,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575740","OC(=O)C(F)(F)F.NCCCCCC1(CN(Cc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C17H27N2O4P.C2HF3O2/c18-10-6-2-5-9-17(16(20)21)14-19(11-12-24(17,22)23)13-15-7-3-1-4-8-15;3-2(4,5)1(6)7/h1,3-4,7-8H,2,5-6,9-14,18H2,(H,20,21)(H,22,23);(H,6,7)","JBPSAJWTCSGNMX-UHFFFAOYSA-N",null,200]
[592,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575739","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C16H25N2O4P.C2HF3O2/c17-9-5-4-8-16(15(19)20)13-18(10-11-23(16,21)22)12-14-6-2-1-3-7-14;3-2(4,5)1(6)7/h1-3,6-7H,4-5,8-13,17H2,(H,19,20)(H,21,22);(H,6,7)","UXRVDUNGIGAHRC-UHFFFAOYSA-N",null,200]
[593,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197536","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CCC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C26H48N4O5S/c1-25(2)19-14-15-26(25,3)22(17-19)28-23(31)20(13-12-18-9-5-4-6-10-18)29-36(34,35)30-21(24(32)33)11-7-8-16-27/h18-22,29-30H,4-17,27H2,1-3H3,(H,28,31)(H,32,33)/t19-,20+,21+,22+,26+/m1/s1","XLOARNQKSYTPBM-RZFRIWOHSA-N",null,220]
[594,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197555","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C22H40N4O5S/c1-21(2)15-9-10-22(21,3)18(13-15)24-19(27)17(12-14-7-8-14)26-32(30,31)25-16(20(28)29)6-4-5-11-23/h14-18,25-26H,4-13,23H2,1-3H3,(H,24,27)(H,28,29)/t15-,16+,17+,18+,22+/m1/s1","NMXBBBBKSIKPCR-JVOBEXOSSA-N",null,230]
[595,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089778","CC12CCC(C(C1)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@H](Cc1ccc(N)nc1)C(O)=O)C2(C)C","InChI=1S/C28H43N5O4/c1-27(2)19-11-12-28(27,3)15-22(19)31-24(34)20(13-17-7-5-4-6-8-17)32-26(37)33-21(25(35)36)14-18-9-10-23(29)30-16-18/h9-10,16-17,19-22H,4-8,11-15H2,1-3H3,(H2,29,30)(H,31,34)(H,35,36)(H2,32,33,37)/t19?,20-,21-,22?,28?/m1/s1","IHZPIKIYQNIWSX-BYSUOTFYSA-N",null,250]
[596,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173894","CC1(C)COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C24H38N4O6/c1-24(2)16-33-13-5-6-14-34-18-10-8-17(9-11-18)15-20(21(29)28-24)27-23(32)26-19(22(30)31)7-3-4-12-25/h8-11,19-20H,3-7,12-16,25H2,1-2H3,(H,28,29)(H,30,31)(H2,26,27,32)/t19-,20+/m0/s1","FBMIZNMJBGCCDP-VQTJNVASSA-N",null,269,{"$nulls":4},7.4,"25.00 C"]
[597,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144322","CC(CN)CCC(C(O)=O)c1cnc[nH]1","InChI=1S/C10H17N3O2/c1-7(4-11)2-3-8(10(14)15)9-5-12-6-13-9/h5-8H,2-4,11H2,1H3,(H,12,13)(H,14,15)","GNCKWAGRDBWVQA-UHFFFAOYSA-N",null,270]
[598,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326387","CC(C)(CN)CC1CC1(C(O)=O)c1cn(cn1)-c1ccccc1","InChI=1S/C18H23N3O2/c1-17(2,11-19)8-13-9-18(13,16(22)23)15-10-21(12-20-15)14-6-4-3-5-7-14/h3-7,10,12-13H,8-9,11,19H2,1-2H3,(H,22,23)","WWNSWPHSWQCJIZ-UHFFFAOYSA-N",null,">300"]
[599,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326344","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccccc1C","InChI=1S/C28H39N3O6/c1-19-12-9-10-14-21(19)30-17-22(29-18-30)28(23(32)35-8)16-20(28)13-11-15-31(24(33)36-26(2,3)4)25(34)37-27(5,6)7/h9-10,12,14,17-18,20H,11,13,15-16H2,1-8H3","YRWIXHBNWHSNHU-UHFFFAOYSA-N",null,">300"]
[600,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197533","NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)C(O)=O","InChI=1S/C22H40N4O5S/c23-11-5-4-8-18(22(28)29)25-32(30,31)26-20(13-15-6-2-1-3-7-15)21(27)24-19-14-16-9-10-17(19)12-16/h15-20,25-26H,1-14,23H2,(H,24,27)(H,28,29)/t16-,17-,18-,19+,20-/m0/s1","PZCYVEWXVUJWOV-FSGKZVOOSA-N",null,330]
[601,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326370","CCOC(=O)C1(CC1CCCNC(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(Br)cn1","InChI=1S/C22H29BrN4O4/c1-5-30-19(28)22(11-15(22)7-6-10-24-20(29)31-21(2,3)4)17-13-27(14-26-17)18-9-8-16(23)12-25-18/h8-9,12-15H,5-7,10-11H2,1-4H3,(H,24,29)","COHIAVKBVGMITP-UHFFFAOYSA-N",null,340]
[602,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197575","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C23H42N4O5S/c1-22(2)16-10-11-23(22,3)19(14-16)25-20(28)18(13-15-7-6-8-15)27-33(31,32)26-17(21(29)30)9-4-5-12-24/h15-19,26-27H,4-14,24H2,1-3H3,(H,25,28)(H,29,30)/t16-,17+,18+,19+,23+/m1/s1","XCBZCAGPFKZFDD-KYGACCNGSA-N",null,360]
[603,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326396","CC[C@@H](CN)C[C@@H]1C[C@@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C17H22N4O2/c1-2-12(9-18)7-13-8-17(13,16(22)23)14-10-21(11-20-14)15-5-3-4-6-19-15/h3-6,10-13H,2,7-9,18H2,1H3,(H,22,23)/t12-,13-,17+/m1/s1","BEUXTDNZDSFKGE-XNJGSVPQSA-N",null,360]
[604,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144320","CC(C)(CN)CCC(C(O)=O)c1cnc[nH]1","InChI=1S/C11H19N3O2/c1-11(2,6-12)4-3-8(10(15)16)9-5-13-7-14-9/h5,7-8H,3-4,6,12H2,1-2H3,(H,13,14)(H,15,16)","HNCZMIXMYAMRQL-UHFFFAOYSA-N",null,380]
[605,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089699","CC(C)[C@@H](C)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C21H40N4O4/c1-14(2)15(3)23-19(26)18(13-16-9-5-4-6-10-16)25-21(29)24-17(20(27)28)11-7-8-12-22/h14-18H,4-13,22H2,1-3H3,(H,23,26)(H,27,28)(H2,24,25,29)/t15-,17+,18-/m1/s1","PGKTWPKLTNYPMW-BPQIPLTHSA-N",null,390]
[606,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089689","CC[C@@H](C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O","InChI=1S/C45H59N7O10/c1-5-27(2)38-42(58)47-35(23-18-29-14-19-32(53)20-15-29)43(59)52(4)28(3)39(55)48-36(25-30-11-7-6-8-12-30)40(56)46-24-10-9-13-34(41(57)51-38)49-45(62)50-37(44(60)61)26-31-16-21-33(54)22-17-31/h6-8,11-12,14-17,19-22,27-28,34-38,53-54H,5,9-10,13,18,23-26H2,1-4H3,(H,46,56)(H,47,58)(H,48,55)(H,51,57)(H,60,61)(H2,49,50,62)/t27-,28+,34-,35+,36+,37+,38+/m1/s1","KCAKUFQSCADGHZ-JNFDXLRCSA-N",null,400]
[607,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197559","CC(C)C12CC3CC(CC(C3)(C1)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C2","InChI=1S/C28H50N4O5S/c1-19(2)27-14-21-12-22(15-27)17-28(16-21,18-27)30-25(33)24(13-20-8-4-3-5-9-20)32-38(36,37)31-23(26(34)35)10-6-7-11-29/h19-24,31-32H,3-18,29H2,1-2H3,(H,30,33)(H,34,35)/t21?,22?,23-,24-,27?,28?/m0/s1","ZVCJHTCCYIGTGU-IBLNZPRFSA-N",null,400]
[608,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008269","C[C@@H](S)[C@@H](Cc1ccc(N)nc1)C(O)=O","InChI=1S/C10H14N2O2S/c1-6(15)8(10(13)14)4-7-2-3-9(11)12-5-7/h2-3,5-6,8,15H,4H2,1H3,(H2,11,12)(H,13,14)/t6-,8-/m1/s1","GYIYAOUGKJSCCG-HTRCEHHLSA-N",null,400]
[609,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197570","NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2)C(O)=O","InChI=1S/C22H40N4O5S/c23-11-5-4-8-18(22(28)29)25-32(30,31)26-20(13-15-6-2-1-3-7-15)21(27)24-19-14-16-9-10-17(19)12-16/h15-20,25-26H,1-14,23H2,(H,24,27)(H,28,29)/t16-,17-,18-,19-,20-/m0/s1","PZCYVEWXVUJWOV-HVTWWXFQSA-N",null,420]
[610,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326337","CC(C)(C)CCn1cnc(c1)[C@]1(C[C@H]1CCCN)C(O)=O","InChI=1S/C16H27N3O2/c1-15(2,3)6-8-19-10-13(18-11-19)16(14(20)21)9-12(16)5-4-7-17/h10-12H,4-9,17H2,1-3H3,(H,20,21)/t12-,16-/m1/s1","OATNNVUVQQXLHN-MLGOLLRUSA-N",null,420]
[611,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201434","OC(=O)C(CS)C1CCCNC1","InChI=1S/C8H15NO2S/c10-8(11)7(5-12)6-2-1-3-9-4-6/h6-7,9,12H,1-5H2,(H,10,11)","ZEKJYPSRDZCIDP-UHFFFAOYSA-N",null,445]
[612,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226610","CCCn1cnc(C[C@H](CCCN)C(O)=O)c1","InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s1","OTDGPKRCQXSTPV-JTQLQIEISA-N",null,450]
[613,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089744","CC(C)[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC1CC2(C)CCC1C2(C)C","InChI=1S/C22H40N4O4/c1-13(2)17(26-20(30)25-15(19(28)29)8-6-7-11-23)18(27)24-16-12-22(5)10-9-14(16)21(22,3)4/h13-17H,6-12,23H2,1-5H3,(H,24,27)(H,28,29)(H2,25,26,30)/t14?,15-,16?,17+,22?/m0/s1","VRXVYEBSAQCPLH-CTUUPLLYSA-N",null,460]
[614,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197540","NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O","InChI=1S/C25H44N4O5S/c26-9-5-4-8-21(24(31)32)28-35(33,34)29-22(13-17-6-2-1-3-7-17)23(30)27-25-14-18-10-19(15-25)12-20(11-18)16-25/h17-22,28-29H,1-16,26H2,(H,27,30)(H,31,32)/t18?,19?,20?,21-,22-,25?/m0/s1","ABGAZACYUFFMDV-LYSMGBOCSA-N",null,490]
[615,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326392","C[C@H](CN)C[C@@H]1C[C@@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C16H20N4O2/c1-11(8-17)6-12-7-16(12,15(21)22)13-9-20(10-19-13)14-4-2-3-5-18-14/h2-5,9-12H,6-8,17H2,1H3,(H,21,22)/t11-,12+,16-/m0/s1","FKDQZBMTXAMQNM-OZVIIMIRSA-N",null,490]
[616,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575743","NCCCCC1(CC(Cc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C17H26NO4P/c18-10-5-4-9-17(16(19)20)13-15(8-11-23(17,21)22)12-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13,18H2,(H,19,20)(H,21,22)","OWYIPXCIDKTXAY-UHFFFAOYSA-N",null,500]
[617,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575752","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccccn2)CCP1(O)=O)C(O)=O","InChI=1S/C15H24N3O4P.C2HF3O2/c16-7-3-2-6-15(14(19)20)12-18(9-10-23(15,21)22)11-13-5-1-4-8-17-13;3-2(4,5)1(6)7/h1,4-5,8H,2-3,6-7,9-12,16H2,(H,19,20)(H,21,22);(H,6,7)","RLTFNRHVYOETOJ-UHFFFAOYSA-N",null,500]
[618,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326394","C[C@@H](CN)C[C@@H]1C[C@@]1(C(O)=O)c1cn(cn1)-c1ccc(C)cn1","InChI=1S/C17H22N4O2/c1-11-3-4-15(19-8-11)21-9-14(20-10-21)17(16(22)23)6-13(17)5-12(2)7-18/h3-4,8-10,12-13H,5-7,18H2,1-2H3,(H,22,23)/t12-,13-,17+/m1/s1","AAEAYCWJPQORII-XNJGSVPQSA-N",null,500]
[619,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575762","NCCCCC1(CN(Cc2ccccc2F)CCP1(O)=O)C(O)=O","InChI=1S/C16H24FN2O4P/c17-14-6-2-1-5-13(14)11-19-9-10-24(22,23)16(12-19,15(20)21)7-3-4-8-18/h1-2,5-6H,3-4,7-12,18H2,(H,20,21)(H,22,23)","JYJPJVPEHYANHW-UHFFFAOYSA-N",null,515]
[620,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089781","CC12CCC(C(C1)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](Cc1ccc(N)nc1)C(N)=O)C2(C)C","InChI=1S/C28H44N6O3/c1-27(2)19-11-12-28(27,3)15-22(19)32-25(36)21(13-17-7-5-4-6-8-17)34-26(37)33-20(24(30)35)14-18-9-10-23(29)31-16-18/h9-10,16-17,19-22H,4-8,11-15H2,1-3H3,(H2,29,31)(H2,30,35)(H,32,36)(H2,33,34,37)/t19?,20-,21+,22?,28?/m0/s1","ZFFKLIGSDMVSKR-ZSKJDULESA-N",null,570]
[621,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008276","NCCCC1(CCc2c(C1)ncn2-c1ccccc1)C(O)=O","InChI=1S/C17H21N3O2/c18-10-4-8-17(16(21)22)9-7-15-14(11-17)19-12-20(15)13-5-2-1-3-6-13/h1-3,5-6,12H,4,7-11,18H2,(H,21,22)","GBGNYJCWTUIJPT-UHFFFAOYSA-N",null,585]
[622,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144334","NCCCCC(C(O)=O)c1cnc[nH]1","InChI=1S/C9H15N3O2/c10-4-2-1-3-7(9(13)14)8-5-11-6-12-8/h5-7H,1-4,10H2,(H,11,12)(H,13,14)","ATNHCKIPIWIEGH-UHFFFAOYSA-N",null,590]
[623,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008270","CCCn1cnc(CC(NCCN)C(O)=O)c1","InChI=1S/C11H20N4O2/c1-2-5-15-7-9(14-8-15)6-10(11(16)17)13-4-3-12/h7-8,10,13H,2-6,12H2,1H3,(H,16,17)","UVTMXVBQOPVNHA-UHFFFAOYSA-N",null,620]
[624,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173911","CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CS(=O)(=O)CCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C24H38N4O8S/c1-16(2)20-14-35-10-3-4-11-36-18-7-5-17(6-8-18)13-19(22(29)26-20)27-24(32)28-21(23(30)31)15-37(33,34)12-9-25/h5-8,16,19-21H,3-4,9-15,25H2,1-2H3,(H,26,29)(H,30,31)(H2,27,28,32)/t19-,20-,21+/m1/s1","OIDOVTVIWNAVJY-NJYVYQBISA-N",null,649,{"$nulls":4},7.4,"25.00 C"]
[625,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197550","NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CCC2CCCCC2C1)C(O)=O","InChI=1S/C25H46N4O5S/c26-15-7-6-12-22(25(31)32)28-35(33,34)29-23(16-18-8-2-1-3-9-18)24(30)27-21-14-13-19-10-4-5-11-20(19)17-21/h18-23,28-29H,1-17,26H2,(H,27,30)(H,31,32)/t19?,20?,21?,22-,23-/m0/s1","ACZMKSFVIZOHQL-WBLOSPSNSA-N",null,670]
[626,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089697","CC(C)(C)CNC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C21H40N4O4/c1-21(2,3)14-23-18(26)17(13-15-9-5-4-6-10-15)25-20(29)24-16(19(27)28)11-7-8-12-22/h15-17H,4-14,22H2,1-3H3,(H,23,26)(H,27,28)(H2,24,25,29)/t16-,17+/m0/s1","XWDGSLJVTQYSEC-DLBZAZTESA-N",null,690]
[627,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575759","NCCCCC1(CN(Cc2cccc(Cl)c2)CCP1(O)=O)C(O)=O","InChI=1S/C16H24ClN2O4P/c17-14-5-3-4-13(10-14)11-19-8-9-24(22,23)16(12-19,15(20)21)6-1-2-7-18/h3-5,10H,1-2,6-9,11-12,18H2,(H,20,21)(H,22,23)","CYMKCJYHJMQMBX-UHFFFAOYSA-N",null,750]
[628,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089780","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(N)=O","InChI=1S/C26H47N5O3/c1-25(2)18-12-13-26(25,3)16-21(18)29-23(33)20(15-17-9-5-4-6-10-17)31-24(34)30-19(22(28)32)11-7-8-14-27/h17-21H,4-16,27H2,1-3H3,(H2,28,32)(H,29,33)(H2,30,31,34)/t18?,19-,20+,21?,26?/m0/s1","ASRHEUPBKKUJIH-HPIYHLJDSA-N",null,750]
[629,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201431","Nc1cccc(c1)C(CS)C(O)=O","InChI=1S/C9H11NO2S/c10-7-3-1-2-6(4-7)8(5-13)9(11)12/h1-4,8,13H,5,10H2,(H,11,12)","WOYCAJIRNXWVLG-UHFFFAOYSA-N",null,785]
[630,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173899","NCCCC[C@H](NC(=O)N[C@@H]1Cc2ccc(OCCCCOC[C@@H](NC1=O)C1CCCCC1)cc2)C(O)=O","InChI=1S/C28H44N4O6/c29-15-5-4-10-23(27(34)35)31-28(36)32-24-18-20-11-13-22(14-12-20)38-17-7-6-16-37-19-25(30-26(24)33)21-8-2-1-3-9-21/h11-14,21,23-25H,1-10,15-19,29H2,(H,30,33)(H,34,35)(H2,31,32,36)/t23-,24+,25+/m0/s1","GGWRPAFPNBTEKN-ISJGIBHGSA-N",null,811,{"$nulls":4},7.4,"25.00 C"]
[631,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089696","CC(C)CNC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C20H38N4O4/c1-14(2)13-22-18(25)17(12-15-8-4-3-5-9-15)24-20(28)23-16(19(26)27)10-6-7-11-21/h14-17H,3-13,21H2,1-2H3,(H,22,25)(H,26,27)(H2,23,24,28)/t16-,17+/m0/s1","RUWUSBDCRNJOMS-DLBZAZTESA-N",null,850]
[632,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197572","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CC1CCNCC1)C(O)=O","InChI=1S/C27H48N4O5S/c1-26(2)20-9-12-27(26,3)23(17-20)29-24(32)21(15-18-7-5-4-6-8-18)30-37(35,36)31-22(25(33)34)16-19-10-13-28-14-11-19/h18-23,28,30-31H,4-17H2,1-3H3,(H,29,32)(H,33,34)/t20-,21+,22+,23+,27+/m1/s1","LTLYKPLPFHCOED-BXOWXZKISA-N",null,880]
[633,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089738","COc1ccc(CNC(=O)[C@@H](CC2CCCCC2)NC(=O)N[C@@H](CCCCN)C(O)=O)cc1","InChI=1S/C24H38N4O5/c1-33-19-12-10-18(11-13-19)16-26-22(29)21(15-17-7-3-2-4-8-17)28-24(32)27-20(23(30)31)9-5-6-14-25/h10-13,17,20-21H,2-9,14-16,25H2,1H3,(H,26,29)(H,30,31)(H2,27,28,32)/t20-,21+/m0/s1","VEDZNKIGSSHCLR-LEWJYISDSA-N",null,900]
[634,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201430","NC(=N)c1ccc(cc1)C(CS)C(O)=O","InChI=1S/C10H12N2O2S/c11-9(12)7-3-1-6(2-4-7)8(5-15)10(13)14/h1-4,8,15H,5H2,(H3,11,12)(H,13,14)","RIFDSZLUNQNXHW-UHFFFAOYSA-N",null,905]
[635,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326369","COC(=O)C1(CC1CC(C)CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(cc1)S(C)(=O)=O","InChI=1S/C29H41N3O8S/c1-19(16-32(25(34)39-27(2,3)4)26(35)40-28(5,6)7)14-20-15-29(20,24(33)38-8)23-17-31(18-30-23)21-10-12-22(13-11-21)41(9,36)37/h10-13,17-20H,14-16H2,1-9H3","GENODDLVKDNANN-UHFFFAOYSA-N",null,930]
[636,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008271","CCCn1cnc2C[C@@](CCCN)(CCc12)C(O)=O","InChI=1S/C14H23N3O2/c1-2-8-17-10-16-11-9-14(13(18)19,5-3-7-15)6-4-12(11)17/h10H,2-9,15H2,1H3,(H,18,19)/t14-/m1/s1","DPDWQELEXVLQSO-CQSZACIVSA-N",null,1000]
[637,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089745","CC1(C)C2CCC1(C)CC2NC(=O)[C@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C1CCCCC1","InChI=1S/C25H44N4O4/c1-24(2)17-12-13-25(24,3)15-19(17)27-21(30)20(16-9-5-4-6-10-16)29-23(33)28-18(22(31)32)11-7-8-14-26/h16-20H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)(H2,28,29,33)/t17?,18-,19?,20+,25?/m0/s1","JGZDQIFIFHMKDO-QMXHKPFUSA-N",null,1000]
[638,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201433","NC(=N)N1CCC(CC1)C(CS)C(O)=O","InChI=1S/C9H17N3O2S/c10-9(11)12-3-1-6(2-4-12)7(5-15)8(13)14/h6-7,15H,1-5H2,(H3,10,11)(H,13,14)","NDKUATGVOUGBIH-UHFFFAOYSA-N",null,1070]
[639,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575754","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccoc2)CCP1(O)=O)C(O)=O","InChI=1S/C14H23N2O5P.C2HF3O2/c15-5-2-1-4-14(13(17)18)11-16(6-8-22(14,19)20)9-12-3-7-21-10-12;3-2(4,5)1(6)7/h3,7,10H,1-2,4-6,8-9,11,15H2,(H,17,18)(H,19,20);(H,6,7)","WAYVWYLTVVVTBB-UHFFFAOYSA-N",null,1100]
[640,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197531","CC12CC3CC(C)(C1)CC(C3)(C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C27H48N4O5S/c1-25-13-20-14-26(2,16-25)18-27(15-20,17-25)29-23(32)22(12-19-8-4-3-5-9-19)31-37(35,36)30-21(24(33)34)10-6-7-11-28/h19-22,30-31H,3-18,28H2,1-2H3,(H,29,32)(H,33,34)/t20?,21-,22-,25?,26?,27?/m0/s1","CZSZMCHTTSACDU-SQFQGINYSA-N",null,1100]
[641,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575736","OC(=O)C(F)(F)F.NCCCCCC1(CCCCCCP1(O)=O)C(O)=O","InChI=1S/C13H26NO4P.C2HF3O2/c14-10-6-3-5-9-13(12(15)16)8-4-1-2-7-11-19(13,17)18;3-2(4,5)1(6)7/h1-11,14H2,(H,15,16)(H,17,18);(H,6,7)","NHOABYGHHQAXAK-UHFFFAOYSA-N",null,1100]
[642,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197574","CCC[C@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C","InChI=1S/C21H40N4O5S/c1-5-8-15(24-31(29,30)25-16(19(27)28)9-6-7-12-22)18(26)23-17-13-14-10-11-21(17,4)20(14,2)3/h14-17,24-25H,5-13,22H2,1-4H3,(H,23,26)(H,27,28)/t14-,15+,16+,17+,21+/m1/s1","TUNXZSSDGLMJOX-RZSFDFLPSA-N",null,1100]
[643,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197558","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCN)C(O)=O","InChI=1S/C24H44N4O5S/c1-23(2)17-11-12-24(23,3)20(15-17)26-21(29)19(14-16-8-5-4-6-9-16)28-34(32,33)27-18(22(30)31)10-7-13-25/h16-20,27-28H,4-15,25H2,1-3H3,(H,26,29)(H,30,31)/t17-,18+,19+,20+,24+/m1/s1","UFLJZTNISDJMGN-LJTNYMJHSA-N",null,1100]
[644,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089739","NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NCc1ccc(Cl)cc1)C(O)=O","InChI=1S/C23H35ClN4O4/c24-18-11-9-17(10-12-18)15-26-21(29)20(14-16-6-2-1-3-7-16)28-23(32)27-19(22(30)31)8-4-5-13-25/h9-12,16,19-20H,1-8,13-15,25H2,(H,26,29)(H,30,31)(H2,27,28,32)/t19-,20+/m0/s1","VBPKSMGVSGMMAR-VQTJNVASSA-N",null,1200]
[645,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008278","NCCC[C@]1(CCn2c(C1)ncc2-c1ccccc1)C(O)=O","InChI=1S/C17H21N3O2/c18-9-4-7-17(16(21)22)8-10-20-14(12-19-15(20)11-17)13-5-2-1-3-6-13/h1-3,5-6,12H,4,7-11,18H2,(H,21,22)/t17-/m1/s1","QUVXXNLGVUXFKY-QGZVFWFLSA-N",null,1300]
[646,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089685","CC(C)CCNC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C26H43N5O6/c1-19(2)14-17-28-23(32)21(30-25(35)31-22(24(33)34)13-6-8-15-27)12-7-9-16-29-26(36)37-18-20-10-4-3-5-11-20/h3-5,10-11,19,21-22H,6-9,12-18,27H2,1-2H3,(H,28,32)(H,29,36)(H,33,34)(H2,30,31,35)/t21-,22+/m1/s1","CHTDAZARBWINCK-YADHBBJMSA-N",null,1400]
[647,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395736","CCOC(=O)C(CCCCCN)C[Se]C(=O)CC","InChI=1S/C13H25NO3Se/c1-3-12(15)18-10-11(13(16)17-4-2)8-6-5-7-9-14/h11H,3-10,14H2,1-2H3","BOAPBPBQRLRKGC-UHFFFAOYSA-N",null,1400]
[648,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575753","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccco2)CCP1(O)=O)C(O)=O","InChI=1S/C14H23N2O5P.C2HF3O2/c15-6-2-1-5-14(13(17)18)11-16(7-9-22(14,19)20)10-12-4-3-8-21-12;3-2(4,5)1(6)7/h3-4,8H,1-2,5-7,9-11,15H2,(H,17,18)(H,19,20);(H,6,7)","NHUTWXDCZGPHKX-UHFFFAOYSA-N",null,1500]
[649,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197579","CC(=N)NCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C)C(O)=O","InChI=1S/C26H47N5O5S/c1-17(27)28-14-8-11-20(24(33)34)30-37(35,36)31-21(15-18-9-6-5-7-10-18)23(32)29-22-16-19-12-13-26(22,4)25(19,2)3/h18-22,30-31H,5-16H2,1-4H3,(H2,27,28)(H,29,32)(H,33,34)/t19-,20+,21+,22+,26+/m1/s1","OLGARYXRJUKFAM-RZFRIWOHSA-N",null,1500]
[650,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089692","CC(C)CCNC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C21H40N4O4/c1-15(2)11-13-23-19(26)18(14-16-8-4-3-5-9-16)25-21(29)24-17(20(27)28)10-6-7-12-22/h15-18H,3-14,22H2,1-2H3,(H,23,26)(H,27,28)(H2,24,25,29)/t17-,18+/m0/s1","PNONBGCPQRQQBB-ZWKOTPCHSA-N",null,1500]
[651,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144323","Cc1cc(N)ncc1CC(C(O)=O)c1cnc[nH]1","InChI=1S/C12H14N4O2/c1-7-2-11(13)15-4-8(7)3-9(12(17)18)10-5-14-6-16-10/h2,4-6,9H,3H2,1H3,(H2,13,15)(H,14,16)(H,17,18)","KALXZOHMRQIEQG-UHFFFAOYSA-N",null,1500]
[652,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135933","Nc1ccc(CC(C(O)=O)c2cnc[nH]2)cn1","InChI=1S/C11H12N4O2/c12-10-2-1-7(4-14-10)3-8(11(16)17)9-5-13-6-15-9/h1-2,4-6,8H,3H2,(H2,12,14)(H,13,15)(H,16,17)","IFHWJTOFROTZBD-UHFFFAOYSA-N",null,1500]
[653,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575737","OC(=O)C(F)(F)F.NCCCCCC1(CCCCCCCP1(O)=O)C(O)=O","InChI=1S/C14H28NO4P.C2HF3O2/c15-11-7-4-6-10-14(13(16)17)9-5-2-1-3-8-12-20(14,18)19;3-2(4,5)1(6)7/h1-12,15H2,(H,16,17)(H,18,19);(H,6,7)","YKJIFLVZYLYOAK-UHFFFAOYSA-N",null,1500]
[654,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50121929","OC(=O)CC(Cc1ccccc1)C(O)=O","InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)","GTOFKXZQQDSVFH-UHFFFAOYSA-N",null,1600]
[655,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395734","NCCCCCC(C[Se]C(=O)CCCc1ccccc1)C(O)=O","InChI=1S/C18H27NO3Se/c19-13-6-2-5-11-16(18(21)22)14-23-17(20)12-7-10-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14,19H2,(H,21,22)","KMMJFXKNWGNVOX-UHFFFAOYSA-N",null,1600]
[656,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197544","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1ccncc1)C(O)=O","InChI=1S/C27H42N4O5S/c1-26(2)20-9-12-27(26,3)23(17-20)29-24(32)21(15-18-7-5-4-6-8-18)30-37(35,36)31-22(25(33)34)16-19-10-13-28-14-11-19/h10-11,13-14,18,20-23,30-31H,4-9,12,15-17H2,1-3H3,(H,29,32)(H,33,34)/t20-,21+,22+,23+,27+/m1/s1","HDEKKTYMNZXVPF-BXOWXZKISA-N",null,1700]
[657,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197560","NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CCCCC1)C(O)=O","InChI=1S/C21H40N4O5S/c22-14-8-7-13-18(21(27)28)24-31(29,30)25-19(15-16-9-3-1-4-10-16)20(26)23-17-11-5-2-6-12-17/h16-19,24-25H,1-15,22H2,(H,23,26)(H,27,28)/t18-,19-/m0/s1","JAJRRGCSNAXOQY-OALUTQOASA-N",null,1700]
[658,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197562","CC1CCCC(C1)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C22H42N4O5S/c1-16-8-7-11-18(14-16)24-21(27)20(15-17-9-3-2-4-10-17)26-32(30,31)25-19(22(28)29)12-5-6-13-23/h16-20,25-26H,2-15,23H2,1H3,(H,24,27)(H,28,29)/t16?,18?,19-,20-/m0/s1","NMIJCOOOMNGWHA-QUDVFMAMSA-N",null,1700]
[659,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197564","CC(C)(C)C1CCC(CC1)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C25H48N4O5S/c1-25(2,3)19-12-14-20(15-13-19)27-23(30)22(17-18-9-5-4-6-10-18)29-35(33,34)28-21(24(31)32)11-7-8-16-26/h18-22,28-29H,4-17,26H2,1-3H3,(H,27,30)(H,31,32)/t19?,20?,21-,22-/m0/s1","WXMPWZLDDZZEQU-UJKMTWAASA-N",null,1700]
[660,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575734","OC(=O)C(F)(F)F.NCCCCCC1(CCCCCP1(O)=O)C(O)=O","InChI=1S/C12H24NO4P.C2HF3O2/c13-9-5-1-3-7-12(11(14)15)8-4-2-6-10-18(12,16)17;3-2(4,5)1(6)7/h1-10,13H2,(H,14,15)(H,16,17);(H,6,7)","QMULMHHDRFZRDX-UHFFFAOYSA-N",null,1800]
[661,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395733","NCCCCCC(C[Se]C(=O)CCc1ccccc1)C(O)=O","InChI=1S/C17H25NO3Se/c18-12-6-2-5-9-15(17(20)21)13-22-16(19)11-10-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13,18H2,(H,20,21)","JNRHODQLZKDDMA-UHFFFAOYSA-N",null,2000]
[662,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197539","NCCCC[C@H](NS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O","InChI=1S/C25H38N4O5S/c26-9-5-4-8-21(24(31)32)28-35(33,34)29-22(13-17-6-2-1-3-7-17)23(30)27-25-14-18-10-19(15-25)12-20(11-18)16-25/h1-3,6-7,18-22,28-29H,4-5,8-16,26H2,(H,27,30)(H,31,32)/t18?,19?,20?,21-,22-,25?/m0/s1","PMFATEWIKGNXDY-LYSMGBOCSA-N",null,2100]
[663,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008277","CCc1cnc2CC(CCCN)(CCn12)C(O)=O","InChI=1S/C13H21N3O2/c1-2-10-9-15-11-8-13(12(17)18,4-3-6-14)5-7-16(10)11/h9H,2-8,14H2,1H3,(H,17,18)","LZWVQAPNCQXHEO-UHFFFAOYSA-N",null,2270]
[664,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197552","CC[C@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C","InChI=1S/C20H38N4O5S/c1-5-14(23-30(28,29)24-15(18(26)27)8-6-7-11-21)17(25)22-16-12-13-9-10-20(16,4)19(13,2)3/h13-16,23-24H,5-12,21H2,1-4H3,(H,22,25)(H,26,27)/t13-,14+,15+,16+,20+/m1/s1","WCKOBJUGMBTSIE-HYUNPYRHSA-N",null,2300]
[665,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008274","NCCC[C@]1(CCc2c(C1)ncn2Cc1cccc(c1)-c1ccccc1)C(O)=O","InChI=1S/C24H27N3O2/c25-13-5-11-24(23(28)29)12-10-22-21(15-24)26-17-27(22)16-18-6-4-9-20(14-18)19-7-2-1-3-8-19/h1-4,6-9,14,17H,5,10-13,15-16,25H2,(H,28,29)/t24-/m1/s1","XFDUWSDSIRIRFB-XMMPIXPASA-N",null,2500]
[666,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395729","CCOC(=O)C(C[Se]C(=O)CC)Cc1cnc(N)c(Cl)c1","InChI=1S/C14H19ClN2O3Se/c1-3-12(18)21-8-10(14(19)20-4-2)5-9-6-11(15)13(16)17-7-9/h6-7,10H,3-5,8H2,1-2H3,(H2,16,17)","KUNRSCIAQGRNQR-UHFFFAOYSA-N",null,2600]
[667,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575735","OC(=O)C(F)(F)F.NCCCCC1(CCCCCCP1(O)=O)C(O)=O","InChI=1S/C12H24NO4P.C2HF3O2/c13-9-5-4-8-12(11(14)15)7-3-1-2-6-10-18(12,16)17;3-2(4,5)1(6)7/h1-10,13H2,(H,14,15)(H,16,17);(H,6,7)","JLQXSHRZLZSFOX-UHFFFAOYSA-N",null,2600]
[668,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326390","C[C@@H](CN)C[C@@H]1C[C@@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C16H20N4O2/c1-11(8-17)6-12-7-16(12,15(21)22)13-9-20(10-19-13)14-4-2-3-5-18-14/h2-5,9-12H,6-8,17H2,1H3,(H,21,22)/t11-,12-,16+/m1/s1","FKDQZBMTXAMQNM-HSMVNMDESA-N",null,">3000"]
[669,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575756","COc1ccc(CN2CCP(O)(=O)C(CCCCN)(C2)C(O)=O)cc1","InChI=1S/C17H27N2O5P/c1-24-15-6-4-14(5-7-15)12-19-10-11-25(22,23)17(13-19,16(20)21)8-2-3-9-18/h4-7H,2-3,8-13,18H2,1H3,(H,20,21)(H,22,23)","FXOKEWONEPPFLB-UHFFFAOYSA-N",null,3104]
[670,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008279","Cl.NCCC[C@]1(CCn2c(C1)ncc2-c1cccc(c1)-c1ccc(Cl)cc1Cl)C(O)=O","InChI=1S/C23H23Cl2N3O2.ClH/c24-17-5-6-18(19(25)12-17)15-3-1-4-16(11-15)20-14-27-21-13-23(22(29)30,7-2-9-26)8-10-28(20)21;/h1,3-6,11-12,14H,2,7-10,13,26H2,(H,29,30);1H/t23-;/m1./s1","IOOZRTSDGXVNMZ-GNAFDRTKSA-N",null,3200]
[671,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395730","Nc1ncc(CC(C[Se][Se]CC(Cc2cnc(N)c(Cl)c2)C(O)=O)C(O)=O)cc1Cl","InChI=1S/C18H20Cl2N4O4Se2/c19-13-3-9(5-23-15(13)21)1-11(17(25)26)7-29-30-8-12(18(27)28)2-10-4-14(20)16(22)24-6-10/h3-6,11-12H,1-2,7-8H2,(H2,21,23)(H2,22,24)(H,25,26)(H,27,28)","LKLRNWHRLUKWFJ-UHFFFAOYSA-N",null,3300]
[672,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144329","OC(=O)C(Cc1ccc2nccn2c1)c1cnc[nH]1","InChI=1S/C13H12N4O2/c18-13(19)10(11-6-14-8-16-11)5-9-1-2-12-15-3-4-17(12)7-9/h1-4,6-8,10H,5H2,(H,14,16)(H,18,19)","LRSURPFUBNBRFH-UHFFFAOYSA-N",null,3300]
[673,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089746","CC1(C)C2CCC1(C)CC2NC(=O)CNC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C19H34N4O4/c1-18(2)12-7-8-19(18,3)10-14(12)22-15(24)11-21-17(27)23-13(16(25)26)6-4-5-9-20/h12-14H,4-11,20H2,1-3H3,(H,22,24)(H,25,26)(H2,21,23,27)/t12?,13-,14?,19?/m0/s1","YGNRCDSARDVNRZ-NWRIMCLESA-N",null,3700]
[674,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395738","CC(=O)SCC(CCCCCN)C(O)=O","InChI=1S/C10H19NO3S/c1-8(12)15-7-9(10(13)14)5-3-2-4-6-11/h9H,2-7,11H2,1H3,(H,13,14)","AFSFNKKPRPMFHO-UHFFFAOYSA-N",null,3800]
[675,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197563","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O","InChI=1S/C25H41N5O5S/c1-24(2)17-9-10-25(24,3)21(12-17)28-22(31)19(11-16-7-5-4-6-8-16)29-36(34,35)30-20(23(32)33)13-18-14-26-15-27-18/h14-17,19-21,29-30H,4-13H2,1-3H3,(H,26,27)(H,28,31)(H,32,33)/t17-,19+,20+,21+,25+/m1/s1","MWDYDFUMFPIWRS-FAJCANAKSA-N",null,4400]
[676,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144324","NCCCCCC(C(O)=O)c1cnc[nH]1","InChI=1S/C10H17N3O2/c11-5-3-1-2-4-8(10(14)15)9-6-12-7-13-9/h6-8H,1-5,11H2,(H,12,13)(H,14,15)","XZPKPIITOZJCFP-UHFFFAOYSA-N",null,4700]
[677,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226610","CCCn1cnc(C[C@H](CCCN)C(O)=O)c1","InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s1","OTDGPKRCQXSTPV-JTQLQIEISA-N",null,5000]
[678,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575731","OC(=O)C(F)(F)F.NCCCCCC1(CCCCP1(O)=O)C(O)=O","InChI=1S/C11H22NO4P.C2HF3O2/c12-8-4-1-2-6-11(10(13)14)7-3-5-9-17(11,15)16;3-2(4,5)1(6)7/h1-9,12H2,(H,13,14)(H,15,16);(H,6,7)","QAGLSNXWEACUTA-UHFFFAOYSA-N",null,5000]
[679,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575733","OC(=O)C(F)(F)F.NCCCCC1(CCCCCP1(O)=O)C(O)=O","InChI=1S/C11H22NO4P.C2HF3O2/c12-8-4-3-7-11(10(13)14)6-2-1-5-9-17(11,15)16;3-2(4,5)1(6)7/h1-9,12H2,(H,13,14)(H,15,16);(H,6,7)","JZGRPJDDVVMQLZ-UHFFFAOYSA-N",null,5000]
[680,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144332","Nc1ncc(CC(C(O)=O)c2cnc[nH]2)cc1Cl","InChI=1S/C11H11ClN4O2/c12-8-2-6(3-15-10(8)13)1-7(11(17)18)9-4-14-5-16-9/h2-5,7H,1H2,(H2,13,15)(H,14,16)(H,17,18)","MJTFFPFQFJNAGQ-UHFFFAOYSA-N",null,5300]
[681,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201432","CC(=N)N1CCC(CC1)C(CS)C(O)=O","InChI=1S/C10H18N2O2S/c1-7(11)12-4-2-8(3-5-12)9(6-15)10(13)14/h8-9,11,15H,2-6H2,1H3,(H,13,14)","ODTIDKLOSIANQV-UHFFFAOYSA-N",null,5300]
[682,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197534","CC1CC(CC(C)(C)C1)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C24H46N4O5S/c1-17-13-19(16-24(2,3)15-17)26-22(29)21(14-18-9-5-4-6-10-18)28-34(32,33)27-20(23(30)31)11-7-8-12-25/h17-21,27-28H,4-16,25H2,1-3H3,(H,26,29)(H,30,31)/t17?,19?,20-,21-/m0/s1","YGZGRMDSLQIEKK-BOWFFMLLSA-N",null,5700]
[683,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144339","Cc1nc(N)ccc1CC(C(O)=O)c1cnc[nH]1","InChI=1S/C12H14N4O2/c1-7-8(2-3-11(13)16-7)4-9(12(17)18)10-5-14-6-15-10/h2-3,5-6,9H,4H2,1H3,(H2,13,16)(H,14,15)(H,17,18)","XGTNBKDLXCKTDY-UHFFFAOYSA-N",null,5800]
[684,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089747","CC(C)(NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC1CC2(C)CCC1C2(C)C","InChI=1S/C21H38N4O4/c1-19(2)13-9-10-21(19,5)12-15(13)23-17(28)20(3,4)25-18(29)24-14(16(26)27)8-6-7-11-22/h13-15H,6-12,22H2,1-5H3,(H,23,28)(H,26,27)(H2,24,25,29)/t13?,14-,15?,21?/m0/s1","UKTRIANNESCITF-WYIKUNGISA-N",null,6100]
[685,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197553","CC1(C)C2CCC1(C)C(C2)OC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C25H45N3O6S/c1-24(2)18-12-13-25(24,3)21(16-18)34-23(31)20(15-17-9-5-4-6-10-17)28-35(32,33)27-19(22(29)30)11-7-8-14-26/h17-21,27-28H,4-16,26H2,1-3H3,(H,29,30)/t18?,19-,20-,21?,25?/m0/s1","IGNKCFDUYAOGGL-VKTGUWLDSA-N",null,6400]
[686,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144327","Nc1ncc(CC(C(O)=O)c2cnc[nH]2)cc1F","InChI=1S/C11H11FN4O2/c12-8-2-6(3-15-10(8)13)1-7(11(17)18)9-4-14-5-16-9/h2-5,7H,1H2,(H2,13,15)(H,14,16)(H,17,18)","SMMKWWBBCKGWEQ-UHFFFAOYSA-N",null,6700]
[687,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197561","CC(C)(C)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C19H38N4O5S/c1-19(2,3)21-17(24)16(13-14-9-5-4-6-10-14)23-29(27,28)22-15(18(25)26)11-7-8-12-20/h14-16,22-23H,4-13,20H2,1-3H3,(H,21,24)(H,25,26)/t15-,16-/m0/s1","LVOZNJMCMRKNQO-HOTGVXAUSA-N",null,6700]
[688,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144321","NCCCC(C(O)=O)c1cnc[nH]1","InChI=1S/C8H13N3O2/c9-3-1-2-6(8(12)13)7-4-10-5-11-7/h4-6H,1-3,9H2,(H,10,11)(H,12,13)","BSUQXFIQHAIGHA-UHFFFAOYSA-N",null,6800]
[689,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144341","NC1CCC(CC(C(O)=O)c2cnc[nH]2)CC1","InChI=1S/C12H19N3O2/c13-9-3-1-8(2-4-9)5-10(12(16)17)11-6-14-7-15-11/h6-10H,1-5,13H2,(H,14,15)(H,16,17)","QDWZLLMKOBKAAN-UHFFFAOYSA-N",null,7000]
[690,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197545","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1ccc(N)cc1)C(O)=O","InChI=1S/C28H44N4O5S/c1-27(2)20-13-14-28(27,3)24(17-20)30-25(33)22(15-18-7-5-4-6-8-18)31-38(36,37)32-23(26(34)35)16-19-9-11-21(29)12-10-19/h9-12,18,20,22-24,31-32H,4-8,13-17,29H2,1-3H3,(H,30,33)(H,34,35)/t20-,22+,23+,24+,28+/m1/s1","JMPROEFTODXVTK-PBXXYNGLSA-N",null,7100]
[691,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008276","NCCCC1(CCc2c(C1)ncn2-c1ccccc1)C(O)=O","InChI=1S/C17H21N3O2/c18-10-4-8-17(16(21)22)9-7-15-14(11-17)19-12-20(15)13-5-2-1-3-6-13/h1-3,5-6,12H,4,7-11,18H2,(H,21,22)","GBGNYJCWTUIJPT-UHFFFAOYSA-N",null,7100]
[692,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201436","NCC(=O)N1CCC(CC1)C(CS)C(O)=O","InChI=1S/C10H18N2O3S/c11-5-9(13)12-3-1-7(2-4-12)8(6-16)10(14)15/h7-8,16H,1-6,11H2,(H,14,15)","NPCZDASYWFJQJA-UHFFFAOYSA-N",null,7350]
[693,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008270","CCCn1cnc(CC(NCCN)C(O)=O)c1","InChI=1S/C11H20N4O2/c1-2-5-15-7-9(14-8-15)6-10(11(16)17)13-4-3-12/h7-8,10,13H,2-6,12H2,1H3,(H,16,17)","UVTMXVBQOPVNHA-UHFFFAOYSA-N",null,8000]
[694,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575751","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2cccnc2)CCP1(O)=O)C(O)=O","InChI=1S/C15H24N3O4P.C2HF3O2/c16-6-2-1-5-15(14(19)20)12-18(8-9-23(15,21)22)11-13-4-3-7-17-10-13;3-2(4,5)1(6)7/h3-4,7,10H,1-2,5-6,8-9,11-12,16H2,(H,19,20)(H,21,22);(H,6,7)","YWJYYQOJGKUZDS-UHFFFAOYSA-N",null,8000]
[695,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575748","OC(=O)C(F)(F)F.NCCCCC1(CN(CCc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C17H27N2O4P.C2HF3O2/c18-10-5-4-9-17(16(20)21)14-19(12-13-24(17,22)23)11-8-15-6-2-1-3-7-15;3-2(4,5)1(6)7/h1-3,6-7H,4-5,8-14,18H2,(H,20,21)(H,22,23);(H,6,7)","ZOTFJHNLCQTIEX-UHFFFAOYSA-N",null,8700]
[696,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173893","NCCCC[C@H](NC(=O)N[C@@H]1Cc2ccc(OCCCCOCCNC1=O)cc2)C(O)=O","InChI=1S/C22H34N4O6/c23-10-2-1-5-18(21(28)29)25-22(30)26-19-15-16-6-8-17(9-7-16)32-13-4-3-12-31-14-11-24-20(19)27/h6-9,18-19H,1-5,10-15,23H2,(H,24,27)(H,28,29)(H2,25,26,30)/t18-,19+/m0/s1","FFCFLBMRACESBH-RBUKOAKNSA-N",null,9044,{"$nulls":4},7.4,"25.00 C"]
[697,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575744","OC(=O)C(F)(F)F.NCCCCC1(CNCCP1(O)=O)C(O)=O","InChI=1S/C9H19N2O4P.C2HF3O2/c10-4-2-1-3-9(8(12)13)7-11-5-6-16(9,14)15;3-2(4,5)1(6)7/h11H,1-7,10H2,(H,12,13)(H,14,15);(H,6,7)","SNYGSVSENJFZFI-UHFFFAOYSA-N",null,9300]
[698,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326361","CCOC(=O)C1(CC1CCCN)c1cn(cn1)-c1ccc(C)cc1","InChI=1S/C19H25N3O2/c1-3-24-18(23)19(11-15(19)5-4-10-20)17-12-22(13-21-17)16-8-6-14(2)7-9-16/h6-9,12-13,15H,3-5,10-11,20H2,1-2H3","LVXJMKKSUFMMJM-UHFFFAOYSA-N",null,10000]
[699,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326364","COC(=O)[C@@]1(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccccc1","InChI=1S/C27H37N3O6/c1-25(2,3)35-23(32)30(24(33)36-26(4,5)6)15-11-12-19-16-27(19,22(31)34-7)21-17-29(18-28-21)20-13-9-8-10-14-20/h8-10,13-14,17-19H,11-12,15-16H2,1-7H3/t19-,27+/m0/s1","UJVDFWJVJPJVJK-UZTOHYMASA-N",null,">10000"]
[700,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197566","CC(C)C[C@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC12CC3CC(CC(C3)C1)C2","InChI=1S/C22H40N4O5S/c1-14(2)7-19(26-32(30,31)25-18(21(28)29)5-3-4-6-23)20(27)24-22-11-15-8-16(12-22)10-17(9-15)13-22/h14-19,25-26H,3-13,23H2,1-2H3,(H,24,27)(H,28,29)/t15?,16?,17?,18-,19-,22?/m0/s1","LDFLBXVUTJIWLT-DDNHJUOSSA-N",null,10000]
[701,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575742","NCCCC[C@@]1(CN(Cc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C16H25N2O4P/c17-9-5-4-8-16(15(19)20)13-18(10-11-23(16,21)22)12-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13,17H2,(H,19,20)(H,21,22)/t16-/m1/s1","ZNSVXALGZJWZDW-MRXNPFEDSA-N",null,10700]
[702,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575730","OC(=O)C(F)(F)F.NCCCCC1(CCCCP1(O)=O)C(O)=O","InChI=1S/C10H20NO4P.C2HF3O2/c11-7-3-1-5-10(9(12)13)6-2-4-8-16(10,14)15;3-2(4,5)1(6)7/h1-8,11H2,(H,12,13)(H,14,15);(H,6,7)","QAYYIGFIHMZQCZ-UHFFFAOYSA-N",null,11700]
[703,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144330","Nc1cc(CC(C(O)=O)c2cnc[nH]2)ccn1","InChI=1S/C11H12N4O2/c12-10-4-7(1-2-14-10)3-8(11(16)17)9-5-13-6-15-9/h1-2,4-6,8H,3H2,(H2,12,14)(H,13,15)(H,16,17)","HYHAXVLPBRMADO-UHFFFAOYSA-N",null,12000]
[704,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144318","CNc1ccc(CC(C(O)=O)c2cnc[nH]2)cn1","InChI=1S/C12H14N4O2/c1-13-11-3-2-8(5-15-11)4-9(12(17)18)10-6-14-7-16-10/h2-3,5-7,9H,4H2,1H3,(H,13,15)(H,14,16)(H,17,18)","BOHWPWFPCZGWLB-UHFFFAOYSA-N",null,13000]
[705,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197527","NCCCC[C@H](NS(N)(=O)=O)C(O)=O","InChI=1S/C6H15N3O4S/c7-4-2-1-3-5(6(10)11)9-14(8,12)13/h5,9H,1-4,7H2,(H,10,11)(H2,8,12,13)/t5-/m0/s1","IASBEZUWLDLXMF-YFKPBYRVSA-N",null,15000]
[706,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144343","Nc1cccc(CC(C(O)=O)c2cnc[nH]2)n1","InChI=1S/C11H12N4O2/c12-10-3-1-2-7(15-10)4-8(11(16)17)9-5-13-6-14-9/h1-3,5-6,8H,4H2,(H2,12,15)(H,13,14)(H,16,17)","PAWOJNNZSAZPFM-UHFFFAOYSA-N",null,15000]
[707,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008275","NCCCC1(CCc2c(C1)ncn2CCC1CCC(CC1)C1CCCCC1)C(O)=O","InChI=1S/C25H41N3O2/c26-15-4-13-25(24(29)30)14-11-23-22(17-25)27-18-28(23)16-12-19-7-9-21(10-8-19)20-5-2-1-3-6-20/h18-21H,1-17,26H2,(H,29,30)","KUVAYHVUNQWSPM-UHFFFAOYSA-N",null,16000]
[708,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575728","OC(=O)C(F)(F)F.NCCCCCC1(CCCP1(O)=O)C(O)=O","InChI=1S/C10H20NO4P.C2HF3O2/c11-7-3-1-2-5-10(9(12)13)6-4-8-16(10,14)15;3-2(4,5)1(6)7/h1-8,11H2,(H,12,13)(H,14,15);(H,6,7)","XBJIYYNAOAZQNT-UHFFFAOYSA-N",null,18000]
[709,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575727","OC(=O)C(F)(F)F.NCCCCC1(CCCP1(O)=O)C(O)=O","InChI=1S/C9H18NO4P.C2HF3O2/c10-6-2-1-4-9(8(11)12)5-3-7-15(9,13)14;3-2(4,5)1(6)7/h1-7,10H2,(H,11,12)(H,13,14);(H,6,7)","MZQXZQRRRNTYIJ-UHFFFAOYSA-N",null,19000]
[710,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144328","OC(=O)C(CC1CNC1)c1cnc[nH]1","InChI=1S/C9H13N3O2/c13-9(14)7(1-6-2-10-3-6)8-4-11-5-12-8/h4-7,10H,1-3H2,(H,11,12)(H,13,14)","QOPLLDRZVJKFKZ-UHFFFAOYSA-N",null,">20000"]
[711,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144345","OC(=O)C(CCC1CCNCC1)c1cnc[nH]1","InChI=1S/C12H19N3O2/c16-12(17)10(11-7-14-8-15-11)2-1-9-3-5-13-6-4-9/h7-10,13H,1-6H2,(H,14,15)(H,16,17)","VGONPUQQNFWWKY-UHFFFAOYSA-N",null,">20000"]
[712,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144347","OC(=O)C(CC1CCCNCC1)c1cnc[nH]1","InChI=1S/C12H19N3O2/c16-12(17)10(11-7-14-8-15-11)6-9-2-1-4-13-5-3-9/h7-10,13H,1-6H2,(H,14,15)(H,16,17)","INJCJHZOMQZWIL-UHFFFAOYSA-N",null,">20000"]
[713,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144331","OC(=O)C(CCC1CCCNCC1)c1cnc[nH]1","InChI=1S/C13H21N3O2/c17-13(18)11(12-8-15-9-16-12)4-3-10-2-1-6-14-7-5-10/h8-11,14H,1-7H2,(H,15,16)(H,17,18)","GAIGLPJJMSVFPK-UHFFFAOYSA-N",null,">20000"]
[714,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144344","OC(=O)C(CCC1CNC1)c1cnc[nH]1","InChI=1S/C10H15N3O2/c14-10(15)8(9-5-12-6-13-9)2-1-7-3-11-4-7/h5-8,11H,1-4H2,(H,12,13)(H,14,15)","UQXHMWXXCVCNPW-UHFFFAOYSA-N",null,">20000"]
[715,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144346","NC1CCCC(CC(C(O)=O)c2cnc[nH]2)C1","InChI=1S/C12H19N3O2/c13-9-3-1-2-8(4-9)5-10(12(16)17)11-6-14-7-15-11/h6-10H,1-5,13H2,(H,14,15)(H,16,17)","IJYXPKYOLPUBTD-UHFFFAOYSA-N",null,">20000"]
[716,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144340","OC(=O)C(CC1CCNCC1)c1cnc[nH]1","InChI=1S/C11H17N3O2/c15-11(16)9(10-6-13-7-14-10)5-8-1-3-12-4-2-8/h6-9,12H,1-5H2,(H,13,14)(H,15,16)","DLGFDVPVEWXPED-UHFFFAOYSA-N",null,">20000"]
[717,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144315","OC(=O)C(CC1CCNC1)c1cnc[nH]1","InChI=1S/C10H15N3O2/c14-10(15)8(9-5-12-6-13-9)3-7-1-2-11-4-7/h5-8,11H,1-4H2,(H,12,13)(H,14,15)","INVOTOQAZAYERD-UHFFFAOYSA-N",null,">20000"]
[718,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144335","OC(=O)C(CCC1CCNC1)c1cnc[nH]1","InChI=1S/C11H17N3O2/c15-11(16)9(10-6-13-7-14-10)2-1-8-3-4-12-5-8/h6-9,12H,1-5H2,(H,13,14)(H,15,16)","JCLSZUPFUNWOHZ-UHFFFAOYSA-N",null,">20000"]
[719,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575746","OC(=O)C(F)(F)F.CCCCCN1CCP(O)(=O)C(CCCCN)(C1)C(O)=O","InChI=1S/C14H29N2O4P.C2HF3O2/c1-2-3-6-9-16-10-11-21(19,20)14(12-16,13(17)18)7-4-5-8-15;3-2(4,5)1(6)7/h2-12,15H2,1H3,(H,17,18)(H,19,20);(H,6,7)","GTJSIOCTVDRGGF-UHFFFAOYSA-N",null,20100]
[720,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197577","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1ccccc1)C(O)=O","InChI=1S/C28H43N3O5S/c1-27(2)21-14-15-28(27,3)24(18-21)29-25(32)22(16-19-10-6-4-7-11-19)30-37(35,36)31-23(26(33)34)17-20-12-8-5-9-13-20/h5,8-9,12-13,19,21-24,30-31H,4,6-7,10-11,14-18H2,1-3H3,(H,29,32)(H,33,34)/t21-,22+,23+,24+,28+/m1/s1","KJDYVYATVMPQOW-HOZMCVABSA-N",null,24000]
[721,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144319","CNCCCCC(C(O)=O)c1cnc[nH]1","InChI=1S/C10H17N3O2/c1-11-5-3-2-4-8(10(14)15)9-6-12-7-13-9/h6-8,11H,2-5H2,1H3,(H,12,13)(H,14,15)","FKWZRTDRIWYJKY-UHFFFAOYSA-N",null,26000]
[722,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197547","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCC(N)=O)C(O)=O","InChI=1S/C25H44N4O6S/c1-24(2)17-12-13-25(24,3)20(15-17)27-22(31)19(14-16-8-5-4-6-9-16)29-36(34,35)28-18(23(32)33)10-7-11-21(26)30/h16-20,28-29H,4-15H2,1-3H3,(H2,26,30)(H,27,31)(H,32,33)/t17-,18+,19+,20+,25+/m1/s1","DKUDMGHEJNAILF-PDGNJTGUSA-N",null,">30000"]
[723,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197546","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCNC(N)=O)C(O)=O","InChI=1S/C26H47N5O6S/c1-25(2)18-12-13-26(25,3)21(16-18)29-22(32)20(15-17-9-5-4-6-10-17)31-38(36,37)30-19(23(33)34)11-7-8-14-28-24(27)35/h17-21,30-31H,4-16H2,1-3H3,(H,29,32)(H,33,34)(H3,27,28,35)/t18-,19+,20+,21+,26+/m1/s1","ZGYPRMDALXFDCP-QDKCGITRSA-N",null,">30000"]
[724,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197538","CC(C)[C@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC12CC3CC(CC(C3)C1)C2","InChI=1S/C21H38N4O5S/c1-13(2)18(25-31(29,30)24-17(20(27)28)5-3-4-6-22)19(26)23-21-10-14-7-15(11-21)9-16(8-14)12-21/h13-18,24-25H,3-12,22H2,1-2H3,(H,23,26)(H,27,28)/t14?,15?,16?,17-,18-,21?/m0/s1","OUNNZIYXVZDQEH-OITRNQOZSA-N",null,">30000"]
[725,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575767","NCCCCC1(CN(Cc2ccccc2Oc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C22H29N2O5P/c23-13-7-6-12-22(21(25)26)17-24(14-15-30(22,27)28)16-18-8-4-5-11-20(18)29-19-9-2-1-3-10-19/h1-5,8-11H,6-7,12-17,23H2,(H,25,26)(H,27,28)","HJMUGZLCPOUGGN-UHFFFAOYSA-N",null,">30000"]
[726,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197535","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCO)C(O)=O","InChI=1S/C25H45N3O6S/c1-24(2)18-12-13-25(24,3)21(16-18)26-22(30)20(15-17-9-5-4-6-10-17)28-35(33,34)27-19(23(31)32)11-7-8-14-29/h17-21,27-29H,4-16H2,1-3H3,(H,26,30)(H,31,32)/t18-,19+,20+,21+,25+/m1/s1","JGBKTEBOXQKXIS-PHGOAHNDSA-N",null,">30000"]
[727,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197529","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CC1CCC(N)CC1)C(O)=O","InChI=1S/C28H50N4O5S/c1-27(2)20-13-14-28(27,3)24(17-20)30-25(33)22(15-18-7-5-4-6-8-18)31-38(36,37)32-23(26(34)35)16-19-9-11-21(29)12-10-19/h18-24,31-32H,4-17,29H2,1-3H3,(H,30,33)(H,34,35)/t19?,20-,21?,22+,23+,24+,28+/m1/s1","ZUVKLOWIUQUADU-MMFKTKKRSA-N",null,">30000"]
[728,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197537","C[C@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC12CC3CC(CC(C3)C1)C2","InChI=1S/C19H34N4O5S/c1-12(22-29(27,28)23-16(18(25)26)4-2-3-5-20)17(24)21-19-9-13-6-14(10-19)8-15(7-13)11-19/h12-16,22-23H,2-11,20H2,1H3,(H,21,24)(H,25,26)/t12-,13?,14?,15?,16-,19?/m0/s1","JCWJMQFYTRMVQI-VYXJFRSESA-N",null,">30000"]
[729,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575766","NCCCCC1(CN(Cc2ccc(cc2)-c2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C22H29N2O4P/c23-13-5-4-12-22(21(25)26)17-24(14-15-29(22,27)28)16-18-8-10-20(11-9-18)19-6-2-1-3-7-19/h1-3,6-11H,4-5,12-17,23H2,(H,25,26)(H,27,28)","XKEWZZHDFCZESH-UHFFFAOYSA-N",null,">30000"]
[730,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575765","NCCCCC1(CN(Cc2cccc(c2)-c2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C22H29N2O4P/c23-12-5-4-11-22(21(25)26)17-24(13-14-29(22,27)28)16-18-7-6-10-20(15-18)19-8-2-1-3-9-19/h1-3,6-10,15H,4-5,11-14,16-17,23H2,(H,25,26)(H,27,28)","KQZZDKNZPXKLSL-UHFFFAOYSA-N",null,">30000"]
[731,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575750","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccncc2)CCP1(O)=O)C(O)=O","InChI=1S/C15H24N3O4P.C2HF3O2/c16-6-2-1-5-15(14(19)20)12-18(9-10-23(15,21)22)11-13-3-7-17-8-4-13;3-2(4,5)1(6)7/h3-4,7-8H,1-2,5-6,9-12,16H2,(H,19,20)(H,21,22);(H,6,7)","QEBCYXQAFHKXPG-UHFFFAOYSA-N",null,">30000"]
[732,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575749","OC(=O)C(F)(F)F.NCCCCC1(CN(CCCc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C18H29N2O4P.C2HF3O2/c19-11-5-4-10-18(17(21)22)15-20(13-14-25(18,23)24)12-6-9-16-7-2-1-3-8-16;3-2(4,5)1(6)7/h1-3,7-8H,4-6,9-15,19H2,(H,21,22)(H,23,24);(H,6,7)","WABNGSKCJVZLRR-UHFFFAOYSA-N",null,">30000"]
[733,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575747","OC(=O)C(F)(F)F.NCCCCC1(CN(CC2CCCCC2)CCP1(O)=O)C(O)=O","InChI=1S/C16H31N2O4P.C2HF3O2/c17-9-5-4-8-16(15(19)20)13-18(10-11-23(16,21)22)12-14-6-2-1-3-7-14;3-2(4,5)1(6)7/h14H,1-13,17H2,(H,19,20)(H,21,22);(H,6,7)","XWJHIWXVFDQHNS-UHFFFAOYSA-N",null,">30000"]
[734,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575745","OC(=O)C(F)(F)F.CN1CCP(O)(=O)C(CCCCN)(C1)C(O)=O","InChI=1S/C10H21N2O4P.C2HF3O2/c1-12-6-7-17(15,16)10(8-12,9(13)14)4-2-3-5-11;3-2(4,5)1(6)7/h2-8,11H2,1H3,(H,13,14)(H,15,16);(H,6,7)","VDCVXOSANJZRMT-UHFFFAOYSA-N",null,">30000"]
[735,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575738","OC(=O)C(F)(F)F.NCCCC1(CN(Cc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C15H23N2O4P.C2HF3O2/c16-8-4-7-15(14(18)19)12-17(9-10-22(15,20)21)11-13-5-2-1-3-6-13;3-2(4,5)1(6)7/h1-3,5-6H,4,7-12,16H2,(H,18,19)(H,20,21);(H,6,7)","JSXJTBAFMDDNGE-UHFFFAOYSA-N",null,">30000"]
[736,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575732","OC(=O)C(F)(F)F.NCCCCCCC1(CCCCP1(O)=O)C(O)=O","InChI=1S/C12H24NO4P.C2HF3O2/c13-9-5-2-1-3-7-12(11(14)15)8-4-6-10-18(12,16)17;3-2(4,5)1(6)7/h1-10,13H2,(H,14,15)(H,16,17);(H,6,7)","XDGARBGWYWYZQY-UHFFFAOYSA-N",null,">30000"]
[737,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575729","OC(=O)C(F)(F)F.NCCCC1(CCCCP1(O)=O)C(O)=O","InChI=1S/C9H18NO4P.C2HF3O2/c10-6-3-5-9(8(11)12)4-1-2-7-15(9,13)14;3-2(4,5)1(6)7/h1-7,10H2,(H,11,12)(H,13,14);(H,6,7)","FFWSKXWONZITCN-UHFFFAOYSA-N",null,">30000"]
[738,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197569","NCCCC[C@H](NS(=O)(=O)N[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1)C(O)=O","InChI=1S/C24H36N4O5S/c25-9-5-4-8-20(23(30)31)27-34(32,33)28-21(19-6-2-1-3-7-19)22(29)26-24-13-16-10-17(14-24)12-18(11-16)15-24/h1-3,6-7,16-18,20-21,27-28H,4-5,8-15,25H2,(H,26,29)(H,30,31)/t16?,17?,18?,20-,21-,24?/m0/s1","GCICTGIAMWBFOG-BOSZTNLGSA-N",null,">30000"]
[739,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197551","NCCCC[C@H](NS(=O)(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O","InChI=1S/C18H32N4O5S/c19-4-2-1-3-15(17(24)25)22-28(26,27)20-11-16(23)21-18-8-12-5-13(9-18)7-14(6-12)10-18/h12-15,20,22H,1-11,19H2,(H,21,23)(H,24,25)/t12?,13?,14?,15-,18?/m0/s1","HTKDZHKDQXOVDZ-URZJAHPPSA-N",null,">30000"]
[740,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197568","CC(=O)NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C)C(O)=O","InChI=1S/C27H48N4O6S/c1-18(32)28-15-9-8-12-21(25(34)35)30-38(36,37)31-22(16-19-10-6-5-7-11-19)24(33)29-23-17-20-13-14-27(23,4)26(20,2)3/h19-23,30-31H,5-17H2,1-4H3,(H,28,32)(H,29,33)(H,34,35)/t20-,21+,22+,23+,27+/m1/s1","KICGILUGWUOIGK-BXOWXZKISA-N",null,">30000"]
[741,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575726","OC(=O)C(F)(F)F.NCCCC1(CCCP1(O)=O)C(O)=O","InChI=1S/C8H16NO4P.C2HF3O2/c9-5-1-3-8(7(10)11)4-2-6-14(8,12)13;3-2(4,5)1(6)7/h1-6,9H2,(H,10,11)(H,12,13);(H,6,7)","OTIVHGRHVNBQDX-UHFFFAOYSA-N",null,">30000"]
[742,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135933","Nc1ccc(CC(C(O)=O)c2cnc[nH]2)cn1","InChI=1S/C11H12N4O2/c12-10-2-1-7(4-14-10)3-8(11(16)17)9-5-13-6-15-9/h1-2,4-6,8H,3H2,(H2,12,14)(H,13,15)(H,16,17)","IFHWJTOFROTZBD-UHFFFAOYSA-N",null,31000]
[743,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197530","CN(C)CCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C)C(O)=O","InChI=1S/C27H50N4O5S/c1-26(2)20-14-15-27(26,3)23(18-20)28-24(32)22(17-19-11-7-6-8-12-19)30-37(35,36)29-21(25(33)34)13-9-10-16-31(4)5/h19-23,29-30H,6-18H2,1-5H3,(H,28,32)(H,33,34)/t20-,21+,22+,23+,27+/m1/s1","DCLUNENWFFCBQD-BXOWXZKISA-N",null,44000]
[744,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197532","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C1CCCCC1","InChI=1S/C24H44N4O5S/c1-23(2)17-12-13-24(23,3)19(15-17)26-21(29)20(16-9-5-4-6-10-16)28-34(32,33)27-18(22(30)31)11-7-8-14-25/h16-20,27-28H,4-15,25H2,1-3H3,(H,26,29)(H,30,31)/t17-,18+,19+,20+,24+/m1/s1","GIPPBCDUHJCGNM-LJTNYMJHSA-N",null,47000]
[745,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144338","CN(C)CCCCC(C(O)=O)c1cnc[nH]1","InChI=1S/C11H19N3O2/c1-14(2)6-4-3-5-9(11(15)16)10-7-12-8-13-10/h7-9H,3-6H2,1-2H3,(H,12,13)(H,15,16)","ZEASILFPEFTDJS-UHFFFAOYSA-N",null,">50000"]
[746,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089782","CC12CCC(C(C1)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](Cc1ccc(N)nc1)C#N)C2(C)C","InChI=1S/C28H42N6O2/c1-27(2)21-11-12-28(27,3)15-23(21)33-25(35)22(14-18-7-5-4-6-8-18)34-26(36)32-20(16-29)13-19-9-10-24(30)31-17-19/h9-10,17-18,20-23H,4-8,11-15H2,1-3H3,(H2,30,31)(H,33,35)(H2,32,34,36)/t20-,21?,22+,23?,28?/m0/s1","UWOKLNWAZGUKFI-WTYYAFBXSA-N",null,54000]
[747,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089693","NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)N1CCCC1)C(O)=O","InChI=1S/C20H36N4O4/c21-11-5-4-10-16(19(26)27)22-20(28)23-17(14-15-8-2-1-3-9-15)18(25)24-12-6-7-13-24/h15-17H,1-14,21H2,(H,26,27)(H2,22,23,28)/t16-,17+/m0/s1","GJAAVXDJHXJNFO-DLBZAZTESA-N",null,59000]
[748,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144326","Nc1ncc(CC(C(O)=O)c2cnc[nH]2)cn1","InChI=1S/C10H11N5O2/c11-10-13-2-6(3-14-10)1-7(9(16)17)8-4-12-5-15-8/h2-5,7H,1H2,(H,12,15)(H,16,17)(H2,11,13,14)","NJGUDXAPBJKTEW-UHFFFAOYSA-N",null,67000]
[749,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197571","NCCCC[C@H](NS(=O)(=O)N[C@H](CC1CCCCC1)C(=O)NC1CC2CCC1C2)C(O)=O","InChI=1S/C22H40N4O5S/c23-11-5-4-8-18(22(28)29)25-32(30,31)26-20(13-15-6-2-1-3-7-15)21(27)24-19-14-16-9-10-17(19)12-16/h15-20,25-26H,1-14,23H2,(H,24,27)(H,28,29)/t16?,17?,18-,19?,20+/m0/s1","PZCYVEWXVUJWOV-AXGZHYKBSA-N",null,75000]
[750,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50100009","OC(=O)C(Cc1ccccc1)c1cnc[nH]1","InChI=1S/C12H12N2O2/c15-12(16)10(11-7-13-8-14-11)6-9-4-2-1-3-5-9/h1-5,7-8,10H,6H2,(H,13,14)(H,15,16)","SDEFAJDBJOMGJE-UHFFFAOYSA-N",null,">100000"]
[751,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008277","CCc1cnc2CC(CCCN)(CCn12)C(O)=O","InChI=1S/C13H21N3O2/c1-2-10-9-15-11-8-13(12(17)18,4-3-6-14)5-7-16(10)11/h9H,2-8,14H2,1H3,(H,17,18)","LZWVQAPNCQXHEO-UHFFFAOYSA-N",null,">100000"]
[752,"6zp2_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401900","O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30)","CJPMSUUANYLPET-UHFFFAOYSA-N",null,58]
[753,"6zp2_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401918","CC(C)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C21H31N7O/c1-14(2)28-13-17(11-25-28)26-21-24-12-18(15-7-8-15)19(27-21)22-9-4-10-23-20(29)16-5-3-6-16/h11-16H,3-10H2,1-2H3,(H,23,29)(H2,22,24,26,27)","MLWMBKMQVQOSSC-UHFFFAOYSA-N",null,81]
[754,"6zp2_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401903","O=C(NCCCNc1nc(Nc2cccc(Cn3cncn3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H30N8O/c33-23(19-5-2-6-19)27-11-3-10-26-22-21(18-8-9-18)13-28-24(31-22)30-20-7-1-4-17(12-20)14-32-16-25-15-29-32/h1,4,7,12-13,15-16,18-19H,2-3,5-6,8-11,14H2,(H,27,33)(H2,26,28,30,31)","GDYSINUURRPNLP-UHFFFAOYSA-N",null,88]
[755,"6zp2_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401920","Cc1nn(C)c2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C24H31N7O/c1-15-19-10-9-18(13-21(19)31(2)30-15)28-24-27-14-20(16-7-8-16)22(29-24)25-11-4-12-26-23(32)17-5-3-6-17/h9-10,13-14,16-17H,3-8,11-12H2,1-2H3,(H,26,32)(H2,25,27,28,29)","YQQIVRZPQZTHDO-UHFFFAOYSA-N",null,90]
[756,"6zp2_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401914","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O/c31-22(17-5-3-6-17)25-12-4-11-24-21-20(16-9-10-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-1-2-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BGULRIZNMKERDJ-UHFFFAOYSA-N",null,93]
[757,"6zp2_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401916","O=C(NCCCNc1nc(Nc2cnn(c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C21H29N7O/c29-20(15-3-1-4-15)23-10-2-9-22-19-18(14-5-6-14)12-24-21(27-19)26-16-11-25-28(13-16)17-7-8-17/h11-15,17H,1-10H2,(H,23,29)(H2,22,24,26,27)","PLHGRDHBKJDBAW-UHFFFAOYSA-N",null,130]
[758,"6zp2_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401917","CCn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C20H29N7O/c1-2-27-13-16(11-24-27)25-20-23-12-17(14-7-8-14)18(26-20)21-9-4-10-22-19(28)15-5-3-6-15/h11-15H,2-10H2,1H3,(H,22,28)(H2,21,23,25,26)","ATGOJZIHHQXMBT-UHFFFAOYSA-N",null,140]
[759,"6zp2_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401927","O=C(NCCCNc1nc(Nc2ccc(cc2)-n2cncn2)ncc1C1CC1)C1CCC1","InChI=1S/C23H28N8O/c32-22(17-3-1-4-17)26-12-2-11-25-21-20(16-5-6-16)13-27-23(30-21)29-18-7-9-19(10-8-18)31-15-24-14-28-31/h7-10,13-17H,1-6,11-12H2,(H,26,32)(H2,25,27,29,30)","UNJQFYGCPVIKPA-UHFFFAOYSA-N",null,150]
[760,"6zp2_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401899","Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25)","YOFJPZPGHXWQJB-UHFFFAOYSA-N",null,170]
[761,"6zp2_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401915","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCC2)ncc1C1CC1)C1CCC1","InChI=1S/C22H31N7O/c30-21(16-4-1-5-16)24-11-3-10-23-20-19(15-8-9-15)13-25-22(28-20)27-17-12-26-29(14-17)18-6-2-7-18/h12-16,18H,1-11H2,(H,24,30)(H2,23,25,27,28)","WFLUXPNQSNOSDL-UHFFFAOYSA-N",null,220]
[762,"6zp2_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401913","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O2/c31-22(17-3-1-4-17)25-10-2-9-24-21-20(16-5-6-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-11-32-12-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BPUHLRZXPRJIDO-UHFFFAOYSA-N",null,280]
[763,"6zp2_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401921","Cn1ncc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C23H29N7O/c1-30-20-9-8-18(12-17(20)13-27-30)28-23-26-14-19(15-6-7-15)21(29-23)24-10-3-11-25-22(31)16-4-2-5-16/h8-9,12-16H,2-7,10-11H2,1H3,(H,25,31)(H2,24,26,28,29)","ZWBYSALZHQDDEL-UHFFFAOYSA-N",null,380]
[764,"6zp2_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401925","O=C(NCCCNc1nc(Nc2ccc(nc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C24H33N7O2/c32-23(18-3-1-4-18)26-10-2-9-25-22-20(17-5-6-17)16-28-24(30-22)29-19-7-8-21(27-15-19)31-11-13-33-14-12-31/h7-8,15-18H,1-6,9-14H2,(H,26,32)(H2,25,28,29,30)","OGBCWLLWFKPBKH-UHFFFAOYSA-N",null,490]
[765,"6zp2_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401902","CN(C)Cc1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C24H34N6O/c1-30(2)16-17-7-11-20(12-8-17)28-24-27-15-21(18-9-10-18)22(29-24)25-13-4-14-26-23(31)19-5-3-6-19/h7-8,11-12,15,18-19H,3-6,9-10,13-14,16H2,1-2H3,(H,26,31)(H2,25,27,28,29)","FVHHRIHFFRQXRD-UHFFFAOYSA-N",null,550]
[766,"6zp2_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401905","O=C(NCCCNc1nc(Nc2cccc(c2)-c2cnco2)ncc1C1CC1)C1CCC1","InChI=1S/C24H28N6O2/c31-23(17-4-1-5-17)27-11-3-10-26-22-20(16-8-9-16)13-28-24(30-22)29-19-7-2-6-18(12-19)21-14-25-15-32-21/h2,6-7,12-17H,1,3-5,8-11H2,(H,27,31)(H2,26,28,29,30)","DHEGBWHMLXDRTE-UHFFFAOYSA-N",null,560]
[767,"6zp2_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401922","O=C(NCCCNc1nc(Nc2ccc3CCN(Cc3c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C27H36N6O/c34-26(20-3-1-4-20)29-13-2-12-28-25-24(19-5-6-19)16-30-27(32-25)31-22-8-7-18-11-14-33(23-9-10-23)17-21(18)15-22/h7-8,15-16,19-20,23H,1-6,9-14,17H2,(H,29,34)(H2,28,30,31,32)","MDSQSUYVBCKIKT-UHFFFAOYSA-N",null,570]
[768,"6zp2_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401904","O=C(NCCCNc1nc(Nc2cccc(c2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-4-1-5-19)27-11-3-10-26-23-22(18-8-9-18)17-28-25(30-23)29-20-6-2-7-21(16-20)31-12-14-33-15-13-31/h2,6-7,16-19H,1,3-5,8-15H2,(H,27,32)(H2,26,28,29,30)","IBJXOEFBZCQHEA-UHFFFAOYSA-N",null,580]
[769,"6zp2_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401901","CN1CCC(CC1)c1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C27H38N6O/c1-33-16-12-20(13-17-33)19-8-10-23(11-9-19)31-27-30-18-24(21-6-7-21)25(32-27)28-14-3-15-29-26(34)22-4-2-5-22/h8-11,18,20-22H,2-7,12-17H2,1H3,(H,29,34)(H2,28,30,31,32)","KDVSDCOOYFNFIM-UHFFFAOYSA-N",null,660]
[770,"6zp2_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401926","O=C(NCCCNc1nc(Nc2cccnc2)ncc1C1CC1)C1CCC1","InChI=1S/C20H26N6O/c27-19(15-4-1-5-15)23-11-3-10-22-18-17(14-7-8-14)13-24-20(26-18)25-16-6-2-9-21-12-16/h2,6,9,12-15H,1,3-5,7-8,10-11H2,(H,23,27)(H2,22,24,25,26)","DAAZPAUBEVGXFD-UHFFFAOYSA-N",null,">1000"]
[771,"6zp2_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401924","O=C(NCCCNc1nc(Nc2ccc(CN3CCCCC3)nc2)ncc1C1CC1)C1CCC1","InChI=1S/C26H37N7O/c34-25(20-6-4-7-20)28-13-5-12-27-24-23(19-8-9-19)17-30-26(32-24)31-21-10-11-22(29-16-21)18-33-14-2-1-3-15-33/h10-11,16-17,19-20H,1-9,12-15,18H2,(H,28,34)(H2,27,30,31,32)","YMKUQCYWRPVRGE-UHFFFAOYSA-N",null,1200]
[772,"6zp2_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401906","Fc1cccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)c1","InChI=1S/C21H26FN5O/c22-16-6-2-7-17(12-16)26-21-25-13-18(14-8-9-14)19(27-21)23-10-3-11-24-20(28)15-4-1-5-15/h2,6-7,12-15H,1,3-5,8-11H2,(H,24,28)(H2,23,25,26,27)","URECOWLJWSLQCN-UHFFFAOYSA-N",null,1300]
[773,"6zp2_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401911","CC(C)N1CCC(CC1)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C26H40N8O/c1-18(2)33-13-9-22(10-14-33)34-17-21(15-30-34)31-26-29-16-23(19-7-8-19)24(32-26)27-11-4-12-28-25(35)20-5-3-6-20/h15-20,22H,3-14H2,1-2H3,(H,28,35)(H2,27,29,31,32)","MJCWEXGCJMNQGR-UHFFFAOYSA-N",null,3000]
[774,"6zp2_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401912","O=C(NCCCNc1nc(Nc2cnn(CCN3CCOCC3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H36N8O2/c33-23(19-3-1-4-19)26-8-2-7-25-22-21(18-5-6-18)16-27-24(30-22)29-20-15-28-32(17-20)10-9-31-11-13-34-14-12-31/h15-19H,1-14H2,(H,26,33)(H2,25,27,29,30)","OOXCKYWNRURMMA-UHFFFAOYSA-N",null,9000]
[775,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50575780","Cn1cncc1-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O","InChI=1S/C20H28FN4O4P/c1-24-14-23-11-18(24)17-10-16(21)5-4-15(17)12-25-8-9-30(28,29)20(13-25,19(26)27)6-2-3-7-22/h4-5,10-11,14H,2-3,6-9,12-13,22H2,1H3,(H,26,27)(H,28,29)/t20-/m0/s1","ZBWZIBATIOSFOY-FQEVSTJZSA-N",0.75]
[776,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305346","NCCO[C@@H](Cc1cn(cn1)-c1ccccc1)C(O)=O","InChI=1S/C14H17N3O3/c15-6-7-20-13(14(18)19)8-11-9-17(10-16-11)12-4-2-1-3-5-12/h1-5,9-10,13H,6-8,15H2,(H,18,19)/t13-/m0/s1","LVCATUGNENEDGZ-ZDUSSCGKSA-N",3.5]
[777,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201438","NC(N)=NCCCC(CS)C(O)=O","InChI=1S/C7H15N3O2S/c8-7(9)10-3-1-2-5(4-13)6(11)12/h5,13H,1-4H2,(H,11,12)(H4,8,9,10)","JOVIPJZDTSYNNW-UHFFFAOYSA-N",4]
[778,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305347","CC(C)(C)c1ccc(cc1)-n1cnc(C[C@H](OCCN)C(O)=O)c1","InChI=1S/C18H25N3O3/c1-18(2,3)13-4-6-15(7-5-13)21-11-14(20-12-21)10-16(17(22)23)24-9-8-19/h4-7,11-12,16H,8-10,19H2,1-3H3,(H,22,23)/t16-/m0/s1","JVLMBIHTJZKJHM-INIZCTEOSA-N",5.7]
[779,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305351","C[C@H](CN)O[C@@H](Cc1cn(cn1)-c1ccccn1)C(O)=O","InChI=1S/C14H18N4O3/c1-10(7-15)21-12(14(19)20)6-11-8-18(9-17-11)13-4-2-3-5-16-13/h2-5,8-10,12H,6-7,15H2,1H3,(H,19,20)/t10-,12+/m1/s1","QOJWERXDJOWTNM-PWSUYJOCSA-N",5.8]
[780,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305345","CCCn1cnc(C[C@H](OCCN)C(O)=O)c1","InChI=1S/C11H19N3O3/c1-2-4-14-7-9(13-8-14)6-10(11(15)16)17-5-3-12/h7-8,10H,2-6,12H2,1H3,(H,15,16)/t10-/m0/s1","JAMWMFGAEKLEEJ-JTQLQIEISA-N",6.7]
[781,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305352","C[C@H](CN)O[C@@H](Cc1cn(cn1)-c1ccccc1)C(O)=O","InChI=1S/C15H19N3O3/c1-11(8-16)21-14(15(19)20)7-12-9-18(10-17-12)13-5-3-2-4-6-13/h2-6,9-11,14H,7-8,16H2,1H3,(H,19,20)/t11-,14+/m1/s1","MAWYISWEMHTKMO-RISCZKNCSA-N",7.5]
[782,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305348","NCCO[C@@H](Cc1cn(CCC2CCCCC2)cn1)C(O)=O","InChI=1S/C16H27N3O3/c17-7-9-22-15(16(20)21)10-14-11-19(12-18-14)8-6-13-4-2-1-3-5-13/h11-13,15H,1-10,17H2,(H,20,21)/t15-/m0/s1","VAABNDTVXFVLFU-HNNXBMFYSA-N",8.2]
[783,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226610","CCCn1cnc(C[C@H](CCCN)C(O)=O)c1","InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s1","OTDGPKRCQXSTPV-JTQLQIEISA-N",10]
[784,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305349","CCCCn1cnc(CC(OCCN)C(O)=O)c1","InChI=1S/C12H21N3O3/c1-2-3-5-15-8-10(14-9-15)7-11(12(16)17)18-6-4-13/h8-9,11H,2-7,13H2,1H3,(H,16,17)","OKKIGEKMWNYVMZ-UHFFFAOYSA-N",15]
[785,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226610","CCCn1cnc(C[C@H](CCCN)C(O)=O)c1","InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s1","OTDGPKRCQXSTPV-JTQLQIEISA-N",16]
[786,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226605","CCCn1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)","OTDGPKRCQXSTPV-UHFFFAOYSA-N",46]
[787,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305350","Cc1ccccc1-n1cnc(CC(OCCN)C(O)=O)c1","InChI=1S/C15H19N3O3/c1-11-4-2-3-5-13(11)18-9-12(17-10-18)8-14(15(19)20)21-7-6-16/h2-5,9-10,14H,6-8,16H2,1H3,(H,19,20)","WUAXKGSLSYPFBN-UHFFFAOYSA-N",65]
[788,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226598","CCCCn1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C12H22N4O2/c1-2-3-6-16-8-10(15-9-16)7-11(12(17)18)14-5-4-13/h8-9,11,14H,2-7,13H2,1H3,(H,17,18)/t11-/m0/s1","LLJMTPSWZYCMHR-NSHDSACASA-N",70]
[789,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226606","CCCn1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C11H20N4O2/c1-2-5-15-7-9(14-8-15)6-10(11(16)17)13-4-3-12/h7-8,10,13H,2-6,12H2,1H3,(H,16,17)/t10-/m0/s1","UVTMXVBQOPVNHA-JTQLQIEISA-N",84]
[790,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226597","CC(C)Cn1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C12H22N4O2/c1-9(2)6-16-7-10(15-8-16)5-11(12(17)18)14-4-3-13/h7-9,11,14H,3-6,13H2,1-2H3,(H,17,18)/t11-/m0/s1","MLBDFQDXKAYTON-NSHDSACASA-N",100]
[791,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226611","NCCN[C@@H](Cc1cn(CCCO)cn1)C(O)=O","InChI=1S/C11H20N4O3/c12-2-3-13-10(11(17)18)6-9-7-15(8-14-9)4-1-5-16/h7-8,10,13,16H,1-6,12H2,(H,17,18)/t10-/m0/s1","RCYDGVHMVIQVSF-JTQLQIEISA-N",111]
[792,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226614","NCCN[C@@H](Cc1cn(CC2CCC2)cn1)C(O)=O","InChI=1S/C13H22N4O2/c14-4-5-15-12(13(18)19)6-11-8-17(9-16-11)7-10-2-1-3-10/h8-10,12,15H,1-7,14H2,(H,18,19)/t12-/m0/s1","BYGNYBXYEDTEJQ-LBPRGKRZSA-N",124]
[793,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226613","NCCN[C@@H](Cc1cn(CCc2ccccc2)cn1)C(O)=O","InChI=1S/C16H22N4O2/c17-7-8-18-15(16(21)22)10-14-11-20(12-19-14)9-6-13-4-2-1-3-5-13/h1-5,11-12,15,18H,6-10,17H2,(H,21,22)/t15-/m0/s1","KIBISFXBVFKORC-HNNXBMFYSA-N",140]
[794,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226607","NCCCC(Cc1cnc[nH]1)C(O)=O","InChI=1S/C9H15N3O2/c10-3-1-2-7(9(13)14)4-8-5-11-6-12-8/h5-7H,1-4,10H2,(H,11,12)(H,13,14)","BJQWDKXNACRDDN-UHFFFAOYSA-N",140]
[795,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226606","CCCn1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C11H20N4O2/c1-2-5-15-7-9(14-8-15)6-10(11(16)17)13-4-3-12/h7-8,10,13H,2-6,12H2,1H3,(H,16,17)/t10-/m0/s1","UVTMXVBQOPVNHA-JTQLQIEISA-N",150]
[796,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226602","CCCCCn1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C13H24N4O2/c1-2-3-4-7-17-9-11(16-10-17)8-12(13(18)19)15-6-5-14/h9-10,12,15H,2-8,14H2,1H3,(H,18,19)/t12-/m0/s1","IIHFQOHRJWWSRA-LBPRGKRZSA-N",160]
[797,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226601","Cn1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C9H16N4O2/c1-13-5-7(12-6-13)4-8(9(14)15)11-3-2-10/h5-6,8,11H,2-4,10H2,1H3,(H,14,15)/t8-/m0/s1","ZIGWTNNVVANKME-QMMMGPOBSA-N",235]
[798,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226599","CCn1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C10H18N4O2/c1-2-14-6-8(13-7-14)5-9(10(15)16)12-4-3-11/h6-7,9,12H,2-5,11H2,1H3,(H,15,16)/t9-/m0/s1","RVUXHJZTETWWDB-VIFPVBQESA-N",250]
[799,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226608","NCCN[C@@H](Cc1cn(Cc2ccccc2)cn1)C(O)=O","InChI=1S/C15H20N4O2/c16-6-7-17-14(15(20)21)8-13-10-19(11-18-13)9-12-4-2-1-3-5-12/h1-5,10-11,14,17H,6-9,16H2,(H,20,21)/t14-/m0/s1","RZHAWQYSDSVTHN-AWEZNQCLSA-N",269]
[800,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226603","NCCCC(CS)C(O)=O","InChI=1S/C6H13NO2S/c7-3-1-2-5(4-10)6(8)9/h5,10H,1-4,7H2,(H,8,9)","IKYCTNVIQZAWIB-UHFFFAOYSA-N",300]
[801,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226600","NCCN[C@@H](Cc1cnc[nH]1)C(O)=O","InChI=1S/C8H14N4O2/c9-1-2-11-7(8(13)14)3-6-4-10-5-12-6/h4-5,7,11H,1-3,9H2,(H,10,12)(H,13,14)/t7-/m0/s1","HRGIXOAUBWGTCB-ZETCQYMHSA-N",344]
[802,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305353","CCCn1cnc(CC(OCCNC)C(O)=O)c1","InChI=1S/C12H21N3O3/c1-3-5-15-8-10(14-9-15)7-11(12(16)17)18-6-4-13-2/h8-9,11,13H,3-7H2,1-2H3,(H,16,17)","ZVHHWSNDCRFPAT-UHFFFAOYSA-N",407]
[803,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226609","CC(C)n1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C11H20N4O2/c1-8(2)15-6-9(14-7-15)5-10(11(16)17)13-4-3-12/h6-8,10,13H,3-5,12H2,1-2H3,(H,16,17)/t10-/m0/s1","DSCXKBLEKKGFNS-JTQLQIEISA-N",430]
[804,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226604","CCCn1cnc(C[C@@H](CCCN)C(O)=O)c1","InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m1/s1","OTDGPKRCQXSTPV-SNVBAGLBSA-N",">700"]
[805,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50305354","CCCn1cnc(C[C@@H](OCCN)C(O)=O)c1","InChI=1S/C11H19N3O3/c1-2-4-14-7-9(13-8-14)6-10(11(15)16)17-5-3-12/h7-8,10H,2-6,12H2,1H3,(H,15,16)/t10-/m1/s1","JAMWMFGAEKLEEJ-SNVBAGLBSA-N",">1000"]
[806,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81910","CC(NC(=S)N(Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O)c1ccccc1","InChI=1S/C25H25N3OS2/c1-17-10-11-23-20(13-17)14-21(24(29)27-23)15-28(16-22-9-6-12-31-22)25(30)26-18(2)19-7-4-3-5-8-19/h3-14,18H,15-16H2,1-2H3,(H,26,30)(H,27,29)","JRVSRQFBILPVCS-UHFFFAOYSA-N",1600]
[807,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81906","Cc1ccc(cc1)C(=O)CSc1nnc(COc2ccc3ccccc3c2)o1","InChI=1S/C22H18N2O3S/c1-15-6-8-17(9-7-15)20(25)14-28-22-24-23-21(27-22)13-26-19-11-10-16-4-2-3-5-18(16)12-19/h2-12H,13-14H2,1H3","CTYSPWAJMNQYOQ-UHFFFAOYSA-N",1900]
[808,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81905","Cc1cc(C)cc(c1)-c1nnc(SCC(=O)N2CCCc3ccccc23)o1","InChI=1S/C21H21N3O2S/c1-14-10-15(2)12-17(11-14)20-22-23-21(26-20)27-13-19(25)24-9-5-7-16-6-3-4-8-18(16)24/h3-4,6,8,10-12H,5,7,9,13H2,1-2H3","SVVCCBBUWWVOLZ-UHFFFAOYSA-N",7400]
[809,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81908","OC(=O)CCSc1nnc(COc2cccc3ccccc23)n1-c1ccccc1","InChI=1S/C22H19N3O3S/c26-21(27)13-14-29-22-24-23-20(25(22)17-9-2-1-3-10-17)15-28-19-12-6-8-16-7-4-5-11-18(16)19/h1-12H,13-15H2,(H,26,27)","ONEYQUFCKREJEN-UHFFFAOYSA-N",11800]
[810,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81911","COC(=O)c1ccccc1NC(=S)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O","InChI=1S/C25H23N3O4S/c1-16-7-5-8-17-13-18(23(29)27-22(16)17)14-28(15-19-9-6-12-32-19)25(33)26-21-11-4-3-10-20(21)24(30)31-2/h3-13H,14-15H2,1-2H3,(H,26,33)(H,27,29)","FMEZNJBXBHDEHR-UHFFFAOYSA-N",13300]
[811,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM81909","Fc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1","InChI=1S/C22H18FN3O3S/c23-17-10-12-18(13-11-17)30(28,29)26(14-16-6-2-1-3-7-16)15-21-24-20-9-5-4-8-19(20)22(27)25-21/h1-13H,14-15H2,(H,24,25,27)","SJKIDORXXVJOAY-UHFFFAOYSA-N",14300]
[812,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50226612","NCCN[C@H](Cc1cnc[nH]1)C(O)=O","InChI=1S/C8H14N4O2/c9-1-2-11-7(8(13)14)3-6-4-10-5-12-6/h4-5,7,11H,1-3,9H2,(H,10,12)(H,13,14)/t7-/m1/s1","HRGIXOAUBWGTCB-SSDOTTSWSA-N",17000]
[813,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81907","COc1ccc2[nH]c(=O)c(CN(CCO)C(=S)Nc3ccc(C)cc3)cc2c1","InChI=1S/C21H23N3O3S/c1-14-3-5-17(6-4-14)22-21(28)24(9-10-25)13-16-11-15-12-18(27-2)7-8-19(15)23-20(16)26/h3-8,11-12,25H,9-10,13H2,1-2H3,(H,22,28)(H,23,26)","AXRMMQKZPNXSNV-UHFFFAOYSA-N",22500]
[814,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81904","O=C(Cn1nnc(n1)-c1cccs1)N1CCc2ccccc2C1","InChI=1S/C16H15N5OS/c22-15(20-8-7-12-4-1-2-5-13(12)10-20)11-21-18-16(17-19-21)14-6-3-9-23-14/h1-6,9H,7-8,10-11H2","TWSRTYYHXLBOCX-UHFFFAOYSA-N",32000]
[815,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM47512","Cc1ccc(cc1)C(=O)CSc1nnc(COc2cccc3cccnc23)o1","InChI=1S/C21H17N3O3S/c1-14-7-9-15(10-8-14)17(25)13-28-21-24-23-19(27-21)12-26-18-6-2-4-16-5-3-11-22-20(16)18/h2-11H,12-13H2,1H3","BLNVPVBRBVPWPF-UHFFFAOYSA-N",50000]
[816,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81903","NC(Cc1ccc2ccnc(N)c2c1)C(O)=O","InChI=1S/C12H13N3O2/c13-10(12(16)17)6-7-1-2-8-3-4-15-11(14)9(8)5-7/h1-5,10H,6,13H2,(H2,14,15)(H,16,17)","IFFBNDWTLOCJIQ-UHFFFAOYSA-N",145000]
[817,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81902","NC(Cc1ccc2c(N)nccc2c1)C(O)=O","InChI=1S/C12H13N3O2/c13-10(12(16)17)6-7-1-2-9-8(5-7)3-4-15-11(9)14/h1-5,10H,6,13H2,(H2,14,15)(H,16,17)","VYOXWSYCVMFVEP-UHFFFAOYSA-N",220000]
[818,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50575776","Cc1ccc(cc1)-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O","InChI=1S/C23H30FN2O4P/c1-17-4-6-18(7-5-17)21-14-20(24)9-8-19(21)15-26-12-13-31(29,30)23(16-26,22(27)28)10-2-3-11-25/h4-9,14H,2-3,10-13,15-16,25H2,1H3,(H,27,28)(H,29,30)/t23-/m0/s1","FZBBTYWRMKWFCQ-QHCPKHFHSA-N",null,1]
[819,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089758","CC12CCC(C(C1)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](Cc1ccc(N)nc1)C(O)=O)C2(C)C","InChI=1S/C28H43N5O4/c1-27(2)19-11-12-28(27,3)15-22(19)31-24(34)20(13-17-7-5-4-6-8-17)32-26(37)33-21(25(35)36)14-18-9-10-23(29)30-16-18/h9-10,16-17,19-22H,4-8,11-15H2,1-3H3,(H2,29,30)(H,31,34)(H,35,36)(H2,32,33,37)/t19?,20-,21+,22?,28?/m1/s1","IHZPIKIYQNIWSX-XVCFFUJGSA-N",null,1]
[820,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144342","CC(C)(C)CCn1cnc(c1)C(C[C@H]1CC[C@H](N)C1)C(O)=O","InChI=1S/C17H29N3O2/c1-17(2,3)6-7-20-10-15(19-11-20)14(16(21)22)9-12-4-5-13(18)8-12/h10-14H,4-9,18H2,1-3H3,(H,21,22)/t12-,13-,14?/m0/s1","LDXGTVIJFDTJIE-RFHHWMCGSA-N",null,1]
[821,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395735","CCC(=O)[Se]CC(CCCCCN)C(O)=O","InChI=1S/C11H21NO3Se/c1-2-10(13)16-8-9(11(14)15)6-4-3-5-7-12/h9H,2-8,12H2,1H3,(H,14,15)","BLOWBFVUAGFPRC-UHFFFAOYSA-N",null,1.1]
[822,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50275212","CCC(=O)[Se]CC(Cc1cnc(N)c(Cl)c1)C(O)=O","InChI=1S/C12H15ClN2O3Se/c1-2-10(16)19-6-8(12(17)18)3-7-4-9(13)11(14)15-5-7/h4-5,8H,2-3,6H2,1H3,(H2,14,15)(H,17,18)","DMSZKGIZIIXNLW-UHFFFAOYSA-N",null,1.5]
[823,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089688","CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](CCCNC(N)=N)C(O)=O","InChI=1S/C41H60N10O9/c1-24(2)33-37(56)46-30(20-17-26-15-18-28(52)19-16-26)38(57)51(4)25(3)34(53)47-32(23-27-11-6-5-7-12-27)35(54)44-21-9-8-13-29(36(55)50-33)48-41(60)49-31(39(58)59)14-10-22-45-40(42)43/h5-7,11-12,15-16,18-19,24-25,29-33,52H,8-10,13-14,17,20-23H2,1-4H3,(H,44,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H4,42,43,45)(H2,48,49,60)/t25-,29+,30-,31-,32-,33-/m0/s1","ZDOVFDLIJJGVQM-APNXPRSCSA-N",null,1.5]
[824,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089687","CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](CCCNC(N)=N)C(O)=O","InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26-,30+,31-,32-,33-,34-/m0/s1","RAUPUVQHUFXDQT-IYLLGVDMSA-N",null,1.5]
[825,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395731","CCOC(=O)C(C[Se]C(=O)CC)Cc1ccc(N)nc1","InChI=1S/C14H20N2O3Se/c1-3-13(17)20-9-11(14(18)19-4-2)7-10-5-6-12(15)16-8-10/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,15,16)","UHQFZYXCXBJDLU-UHFFFAOYSA-N",null,1.8]
[826,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089686","CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C41H60N8O9/c1-25(2)34-38(54)44-31(21-18-27-16-19-29(50)20-17-27)39(55)49(4)26(3)35(51)45-33(24-28-12-6-5-7-13-28)36(52)43-23-11-9-14-30(37(53)48-34)46-41(58)47-32(40(56)57)15-8-10-22-42/h5-7,12-13,16-17,19-20,25-26,30-34,50H,8-11,14-15,18,21-24,42H2,1-4H3,(H,43,52)(H,44,54)(H,45,51)(H,48,53)(H,56,57)(H2,46,47,58)/t26-,30+,31-,32-,33-,34-/m0/s1","VNOIUJQJSYNRHB-NCUXDPMLSA-N",null,1.9]
[827,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395737","NCCCCCC(C[Se][Se]CC(CCCCCN)C(O)=O)C(O)=O","InChI=1S/C16H32N2O4Se2/c17-9-5-1-3-7-13(15(19)20)11-23-24-12-14(16(21)22)8-4-2-6-10-18/h13-14H,1-12,17-18H2,(H,19,20)(H,21,22)","RUZIZPNQGMERCW-UHFFFAOYSA-N",null,2]
[828,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144337","CC(C)CCCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O","InChI=1S/C17H24N4O2/c1-12(2)4-3-7-21-10-15(20-11-21)14(17(22)23)8-13-5-6-16(18)19-9-13/h5-6,9-12,14H,3-4,7-8H2,1-2H3,(H2,18,19)(H,22,23)","UFHFBHSKTSVCMN-UHFFFAOYSA-N",null,2]
[829,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50395732","Nc1ccc(CC(C[Se][Se]CC(Cc2ccc(N)nc2)C(O)=O)C(O)=O)cn1","InChI=1S/C18H22N4O4Se2/c19-15-3-1-11(7-21-15)5-13(17(23)24)9-27-28-10-14(18(25)26)6-12-2-4-16(20)22-8-12/h1-4,7-8,13-14H,5-6,9-10H2,(H2,19,21)(H2,20,22)(H,23,24)(H,25,26)","MYECLQPAUDYVIW-UHFFFAOYSA-N",null,2]
[830,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50575768","NCCCCC1(CN(Cc2ccccc2-c2cccnc2)CCP1(O)=O)C(O)=O","InChI=1S/C21H28N3O4P/c22-10-4-3-9-21(20(25)26)16-24(12-13-29(21,27)28)15-18-6-1-2-8-19(18)17-7-5-11-23-14-17/h1-2,5-8,11,14H,3-4,9-10,12-13,15-16,22H2,(H,25,26)(H,27,28)","ZARDBEAQXXDVBK-UHFFFAOYSA-N",null,2]
[831,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395732","Nc1ccc(CC(C[Se][Se]CC(Cc2ccc(N)nc2)C(O)=O)C(O)=O)cn1","InChI=1S/C18H22N4O4Se2/c19-15-3-1-11(7-21-15)5-13(17(23)24)9-27-28-10-14(18(25)26)6-12-2-4-16(20)22-8-12/h1-4,7-8,13-14H,5-6,9-10H2,(H2,19,21)(H2,20,22)(H,23,24)(H,25,26)","MYECLQPAUDYVIW-UHFFFAOYSA-N",null,2.2]
[832,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50395730","Nc1ncc(CC(C[Se][Se]CC(Cc2cnc(N)c(Cl)c2)C(O)=O)C(O)=O)cc1Cl","InChI=1S/C18H20Cl2N4O4Se2/c19-13-3-9(5-23-15(13)21)1-11(17(25)26)7-29-30-8-12(18(27)28)2-10-4-14(20)16(22)24-6-10/h3-6,11-12H,1-2,7-8H2,(H2,21,23)(H2,22,24)(H,25,26)(H,27,28)","LKLRNWHRLUKWFJ-UHFFFAOYSA-N",null,2.5]
[833,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM109264","C[C@H]1CC[C@@H](CC1)n1cnc(C[C@H](CCCN)C(O)=O)c1","InChI=1S/C16H27N3O2/c1-12-4-6-15(7-5-12)19-10-14(18-11-19)9-13(16(20)21)3-2-8-17/h10-13,15H,2-9,17H2,1H3,(H,20,21)/t12-,13-,15-/m0/s1","AEHFUSPLVGWEEP-YDHLFZDLSA-N",null,2.6]
[834,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135934","CC(C)CCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O","InChI=1S/C16H22N4O2/c1-11(2)5-6-20-9-14(19-10-20)13(16(21)22)7-12-3-4-15(17)18-8-12/h3-4,8-11,13H,5-7H2,1-2H3,(H2,17,18)(H,21,22)","FUZLEHIZFGSVSF-UHFFFAOYSA-N",null,2.7]
[835,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089691","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C26H46N4O4/c1-25(2)18-12-13-26(25,3)16-21(18)28-22(31)20(15-17-9-5-4-6-10-17)30-24(34)29-19(23(32)33)11-7-8-14-27/h17-21H,4-16,27H2,1-3H3,(H,28,31)(H,32,33)(H2,29,30,34)/t18?,19-,20+,21?,26?/m0/s1","MARJTHQRTDYWGB-HPIYHLJDSA-N",null,3]
[836,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197573","CC1(C)C2CCC1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C26H46N4O4/c1-25(2)18-12-13-26(25,3)21(16-18)30-22(31)20(15-17-9-5-4-6-10-17)29-24(34)28-19(23(32)33)11-7-8-14-27/h17-21H,4-16,27H2,1-3H3,(H,30,31)(H,32,33)(H2,28,29,34)/t18?,19-,20-,21-,26?/m0/s1","AUFLFYNRNWZZKB-SONHOIRQSA-N",null,3]
[837,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395736","CCOC(=O)C(CCCCCN)C[Se]C(=O)CC","InChI=1S/C13H25NO3Se/c1-3-12(15)18-10-11(13(16)17-4-2)8-6-5-7-9-14/h11H,3-10,14H2,1-2H3","BOAPBPBQRLRKGC-UHFFFAOYSA-N",null,3]
[838,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395740","CCOC(=O)C(CCCCCN)CSC(C)=O","InChI=1S/C12H23NO3S/c1-3-16-12(15)11(9-17-10(2)14)7-5-4-6-8-13/h11H,3-9,13H2,1-2H3","FHCMTCNRCACFAB-UHFFFAOYSA-N",null,3.1]
[839,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395741","NCCCCCC(CS)C(O)=O","InChI=1S/C8H17NO2S/c9-5-3-1-2-4-7(6-12)8(10)11/h7,12H,1-6,9H2,(H,10,11)","OWVFNXQLXNWAHW-UHFFFAOYSA-N",null,3.4]
[840,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50275212","CCC(=O)[Se]CC(Cc1cnc(N)c(Cl)c1)C(O)=O","InChI=1S/C12H15ClN2O3Se/c1-2-10(16)19-6-8(12(17)18)3-7-4-9(13)11(14)15-5-7/h4-5,8H,2-3,6H2,1H3,(H2,14,15)(H,17,18)","DMSZKGIZIIXNLW-UHFFFAOYSA-N",null,3.7]
[841,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395737","NCCCCCC(C[Se][Se]CC(CCCCCN)C(O)=O)C(O)=O","InChI=1S/C16H32N2O4Se2/c17-9-5-1-3-7-13(15(19)20)11-23-24-12-14(16(21)22)8-4-2-6-10-18/h13-14H,1-12,17-18H2,(H,19,20)(H,21,22)","RUZIZPNQGMERCW-UHFFFAOYSA-N",null,">3.8"]
[842,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395729","CCOC(=O)C(C[Se]C(=O)CC)Cc1cnc(N)c(Cl)c1","InChI=1S/C14H19ClN2O3Se/c1-3-12(18)21-8-10(14(19)20-4-2)5-9-6-11(15)13(16)17-7-9/h6-7,10H,3-5,8H2,1-2H3,(H2,16,17)","KUNRSCIAQGRNQR-UHFFFAOYSA-N",null,">3.8"]
[843,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089756","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCNC(N)=N)C(O)=O","InChI=1S/C26H46N6O4/c1-25(2)17-11-12-26(25,3)15-20(17)30-21(33)19(14-16-8-5-4-6-9-16)32-24(36)31-18(22(34)35)10-7-13-29-23(27)28/h16-20H,4-15H2,1-3H3,(H,30,33)(H,34,35)(H4,27,28,29)(H2,31,32,36)/t17?,18-,19+,20?,26?/m0/s1","FRONFJPZPPGYAX-WKCFZQPLSA-N",null,4]
[844,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201427","NC(N)=Nc1cccc(c1)C(CS)C(O)=O","InChI=1S/C10H13N3O2S/c11-10(12)13-7-3-1-2-6(4-7)8(5-16)9(14)15/h1-4,8,16H,5H2,(H,14,15)(H4,11,12,13)","YHBCRXAIIVZWEW-UHFFFAOYSA-N",null,4]
[845,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089751","CC1(C)C2CCC1(C)CC2NC(=O)C(CC1CCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C25H44N4O4/c1-24(2)17-11-12-25(24,3)15-20(17)27-21(30)19(14-16-8-4-5-9-16)29-23(33)28-18(22(31)32)10-6-7-13-26/h16-20H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)(H2,28,29,33)/t17?,18-,19?,20?,25?/m0/s1","AFDQLRFIAXCERE-UQGFRLLMSA-N",null,4]
[846,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089755","CC12CCC(C(C1)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CSCCN)C(O)=O)C2(C)C","InChI=1S/C25H44N4O4S/c1-24(2)17-9-10-25(24,3)14-19(17)27-21(30)18(13-16-7-5-4-6-8-16)28-23(33)29-20(22(31)32)15-34-12-11-26/h16-20H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)(H2,28,29,33)/t17?,18-,19?,20+,25?/m1/s1","LVFHNJLSTSKIOI-IFVPPNBGSA-N",null,4]
[847,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50395734","NCCCCCC(C[Se]C(=O)CCCc1ccccc1)C(O)=O","InChI=1S/C18H27NO3Se/c19-13-6-2-5-11-16(18(21)22)14-23-17(20)12-7-10-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14,19H2,(H,21,22)","KMMJFXKNWGNVOX-UHFFFAOYSA-N",null,4.1]
[848,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326336","CC(C)(C)CCn1cnc(c1)[C@]1(C[C@@H]1CCCN)C(O)=O","InChI=1S/C16H27N3O2/c1-15(2,3)6-8-19-10-13(18-11-19)16(14(20)21)9-12(16)5-4-7-17/h10-12H,4-9,17H2,1-3H3,(H,20,21)/t12-,16+/m0/s1","OATNNVUVQQXLHN-BLLLJJGKSA-N",null,4.5]
[849,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575770","COc1ccc(cn1)-c1ccccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O","InChI=1S/C22H30N3O5P/c1-30-20-9-8-17(14-24-20)19-7-3-2-6-18(19)15-25-12-13-31(28,29)22(16-25,21(26)27)10-4-5-11-23/h2-3,6-9,14H,4-5,10-13,15-16,23H2,1H3,(H,26,27)(H,28,29)/t22-/m0/s1","AVHRAGMQIMFUSI-QFIPXVFZSA-N",null,5]
[850,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50575775","NCCCC[C@]1(CN(Cc2ccc(F)cc2-c2cncnc2)CCP1(O)=O)C(O)=O","InChI=1S/C20H26FN4O4P/c21-17-4-3-15(18(9-17)16-10-23-14-24-11-16)12-25-7-8-30(28,29)20(13-25,19(26)27)5-1-2-6-22/h3-4,9-11,14H,1-2,5-8,12-13,22H2,(H,26,27)(H,28,29)/t20-/m0/s1","OMPACBMICGZNQY-FQEVSTJZSA-N",null,5]
[851,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50135934","CC(C)CCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O","InChI=1S/C16H22N4O2/c1-11(2)5-6-20-9-14(19-10-20)13(16(21)22)7-12-3-4-15(17)18-8-12/h3-4,8-11,13H,5-7H2,1-2H3,(H2,17,18)(H,21,22)","FUZLEHIZFGSVSF-UHFFFAOYSA-N",null,5]
[852,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM109265","C[C@@H](CN)C[C@@H](Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O","InChI=1S/C17H29N3O2/c1-12-3-5-16(6-4-12)20-10-15(19-11-20)8-14(17(21)22)7-13(2)9-18/h10-14,16H,3-9,18H2,1-2H3,(H,21,22)/t12-,13-,14+,16-/m1/s1","OMGSNJPCQBNRPB-HGTKMLMNSA-N",null,5.1]
[853,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50395733","NCCCCCC(C[Se]C(=O)CCc1ccccc1)C(O)=O","InChI=1S/C17H25NO3Se/c18-12-6-2-5-9-15(17(20)21)13-22-16(19)11-10-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13,18H2,(H,20,21)","JNRHODQLZKDDMA-UHFFFAOYSA-N",null,5.3]
[854,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM109258","C[C@H](CN)C[C@@H](Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O","InChI=1S/C17H29N3O2/c1-12-3-5-16(6-4-12)20-10-15(19-11-20)8-14(17(21)22)7-13(2)9-18/h10-14,16H,3-9,18H2,1-2H3,(H,21,22)/t12-,13-,14-,16-/m0/s1","OMGSNJPCQBNRPB-YXWQFLTLSA-N",null,5.4]
[855,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50395728","CC(C)[C@H](NC(=O)CCc1ccccc1)P(O)(=O)C[C@@H](CCCCCN)C(O)=O","InChI=1S/C21H35N2O5P/c1-16(2)20(23-19(24)13-12-17-9-5-3-6-10-17)29(27,28)15-18(21(25)26)11-7-4-8-14-22/h3,5-6,9-10,16,18,20H,4,7-8,11-15,22H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/t18-,20-/m1/s1","DEWOTLFUKYSXIE-UYAOXDASSA-N",null,5.5]
[856,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173886","CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C25H40N4O6/c1-17(2)22-16-34-13-5-6-14-35-19-10-8-18(9-11-19)15-21(23(30)27-22)29-25(33)28-20(24(31)32)7-3-4-12-26/h8-11,17,20-22H,3-7,12-16,26H2,1-2H3,(H,27,30)(H,31,32)(H2,28,29,33)/t20-,21+,22+/m0/s1","LULOJIQVOUOYMX-BHDDXSALSA-N",null,6,{"$nulls":4},7.4,"25.00 C"]
[857,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50575780","Cn1cncc1-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O","InChI=1S/C20H28FN4O4P/c1-24-14-23-11-18(24)17-10-16(21)5-4-15(17)12-25-8-9-30(28,29)20(13-25,19(26)27)6-2-3-7-22/h4-5,10-11,14H,2-3,6-9,12-13,22H2,1H3,(H,26,27)(H,28,29)/t20-/m0/s1","ZBWZIBATIOSFOY-FQEVSTJZSA-N",null,6]
[858,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135936","CCCCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O","InChI=1S/C15H20N4O2/c1-2-3-6-19-9-13(18-10-19)12(15(20)21)7-11-4-5-14(16)17-8-11/h4-5,8-10,12H,2-3,6-7H2,1H3,(H2,16,17)(H,20,21)","RCFXGCBFYOZPJW-UHFFFAOYSA-N",null,6]
[859,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395739","CCOC(=O)C(CS)CCCCCN","InChI=1S/C10H21NO2S/c1-2-13-10(12)9(8-14)6-4-3-5-7-11/h9,14H,2-8,11H2,1H3","OCHZJRQCQXNQFN-UHFFFAOYSA-N",null,6.2]
[860,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50089691","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C26H46N4O4/c1-25(2)18-12-13-26(25,3)16-21(18)28-22(31)20(15-17-9-5-4-6-10-17)30-24(34)29-19(23(32)33)11-7-8-14-27/h17-21H,4-16,27H2,1-3H3,(H,28,31)(H,32,33)(H2,29,30,34)/t18?,19-,20+,21?,26?/m0/s1","MARJTHQRTDYWGB-HPIYHLJDSA-N",null,7]
[861,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575769","NCCCCC1(CN(Cc2ccccc2-c2cncnc2)CCP1(O)=O)C(O)=O","InChI=1S/C20H27N4O4P/c21-8-4-3-7-20(19(25)26)14-24(9-10-29(20,27)28)13-16-5-1-2-6-18(16)17-11-22-15-23-12-17/h1-2,5-6,11-12,15H,3-4,7-10,13-14,21H2,(H,25,26)(H,27,28)","PNESMYMKIXRGDJ-UHFFFAOYSA-N",null,7]
[862,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM109254","C[C@H](CN)OC(Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O","InChI=1S/C16H27N3O3/c1-11-3-5-14(6-4-11)19-9-13(18-10-19)7-15(16(20)21)22-12(2)8-17/h9-12,14-15H,3-8,17H2,1-2H3,(H,20,21)/t11-,12-,14-,15?/m1/s1","SXFRUTCVXKOOAP-TVAMOIRASA-N",null,7]
[863,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50089749","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C23H40N4O4/c1-22(2)15-9-10-23(22,3)13-18(15)25-19(28)17(12-14-7-8-14)27-21(31)26-16(20(29)30)6-4-5-11-24/h14-18H,4-13,24H2,1-3H3,(H,25,28)(H,29,30)(H2,26,27,31)/t15?,16-,17+,18?,23?/m0/s1","PFLUEQHIMCTTNI-PPFFOOAHSA-N",null,7]
[864,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM109256","CC1(C)CCCC(C1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C17H29N3O2/c1-17(2)7-3-6-15(10-17)20-11-14(19-12-20)9-13(16(21)22)5-4-8-18/h11-13,15H,3-10,18H2,1-2H3,(H,21,22)","ILWZFIDDSWMJSL-UHFFFAOYSA-N",null,7.5]
[865,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50395735","CCC(=O)[Se]CC(CCCCCN)C(O)=O","InChI=1S/C11H21NO3Se/c1-2-10(13)16-8-9(11(14)15)6-4-3-5-7-12/h9H,2-8,12H2,1H3,(H,14,15)","BLOWBFVUAGFPRC-UHFFFAOYSA-N",null,7.6]
[866,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173906","CC(C)[C@H]1COC\\C=C\\COc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C25H38N4O6/c1-17(2)22-16-34-13-5-6-14-35-19-10-8-18(9-11-19)15-21(23(30)27-22)29-25(33)28-20(24(31)32)7-3-4-12-26/h5-6,8-11,17,20-22H,3-4,7,12-16,26H2,1-2H3,(H,27,30)(H,31,32)(H2,28,29,33)/b6-5+/t20-,21+,22+/m0/s1","DWGPZJBQYFUONC-HVKQOZRQSA-N",null,7.7,{"$nulls":4},7.4,"25.00 C"]
[867,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109252","C[C@H]1CC[C@@H](CC1)n1cnc(C[C@H](CCCN)C(O)=O)c1","InChI=1S/C16H27N3O2/c1-12-4-6-15(7-5-12)19-10-14(18-11-19)9-13(16(20)21)3-2-8-17/h10-13,15H,2-9,17H2,1H3,(H,20,21)/t12-,13-,15-/m0/s1","AEHFUSPLVGWEEP-YDHLFZDLSA-N",null,7.8]
[868,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326397","CC[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C[C@]1(C(=O)OC)c1cn(cn1)-c1ccccc1","InChI=1S/C24H33N3O4/c1-6-17(14-25-22(29)31-23(2,3)4)12-18-13-24(18,21(28)30-5)20-15-27(16-26-20)19-10-8-7-9-11-19/h7-11,15-18H,6,12-14H2,1-5H3,(H,25,29)/t17-,18+,24-/m1/s1","XEAMWQOAIXEZGF-NXMSCROESA-N",null,7.9]
[869,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575777","COc1ccc(cc1)-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O","InChI=1S/C23H30FN2O5P/c1-31-20-8-5-17(6-9-20)21-14-19(24)7-4-18(21)15-26-12-13-32(29,30)23(16-26,22(27)28)10-2-3-11-25/h4-9,14H,2-3,10-13,15-16,25H2,1H3,(H,27,28)(H,29,30)/t23-/m0/s1","FEJKEWIWGSFZML-QHCPKHFHSA-N",null,8]
[870,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50575779","COc1ccc(cc1OC)-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O","InChI=1S/C24H32FN2O6P/c1-32-21-8-6-17(13-22(21)33-2)20-14-19(25)7-5-18(20)15-27-11-12-34(30,31)24(16-27,23(28)29)9-3-4-10-26/h5-8,13-14H,3-4,9-12,15-16,26H2,1-2H3,(H,28,29)(H,30,31)/t24-/m0/s1","OMNZYBADSYJRIF-DEOSSOPVSA-N",null,8]
[871,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008271","CCCn1cnc2C[C@@](CCCN)(CCc12)C(O)=O","InChI=1S/C14H23N3O2/c1-2-8-17-10-16-11-9-14(13(18)19,5-3-7-15)6-4-12(11)17/h10H,2-9,15H2,1H3,(H,18,19)/t14-/m1/s1","DPDWQELEXVLQSO-CQSZACIVSA-N",null,8]
[872,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50201438","NC(N)=NCCCC(CS)C(O)=O","InChI=1S/C7H15N3O2S/c8-7(9)10-3-1-2-5(4-13)6(11)12/h5,13H,1-4H2,(H,11,12)(H4,8,9,10)","JOVIPJZDTSYNNW-UHFFFAOYSA-N",null,8]
[873,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM109253","C[C@H]1CC[C@@H](CC1)n1cnc(CC(OCCN)C(O)=O)c1","InChI=1S/C15H25N3O3/c1-11-2-4-13(5-3-11)18-9-12(17-10-18)8-14(15(19)20)21-7-6-16/h9-11,13-14H,2-8,16H2,1H3,(H,19,20)/t11-,13-,14?","MYFSJRVPQSXHMT-LTXMZBCZSA-N",null,8.1]
[874,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50135939","NC(=N)CCCSCC(CS)C(O)=O","InChI=1S/C8H16N2O2S2/c9-7(10)2-1-3-14-5-6(4-13)8(11)12/h6,13H,1-5H2,(H3,9,10)(H,11,12)","NEFADNFNASLUBS-UHFFFAOYSA-N",null,8.2]
[875,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109238","C[C@H]1CC[C@@H](CC1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C16H27N3O2/c1-12-4-6-15(7-5-12)19-10-14(18-11-19)9-13(16(20)21)3-2-8-17/h10-13,15H,2-9,17H2,1H3,(H,20,21)/t12-,13?,15-","AEHFUSPLVGWEEP-FFAOXRCVSA-N",null,8.3]
[876,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326395","CC[C@@H](CN)CC1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C17H22N4O2/c1-2-12(9-18)7-13-8-17(13,16(22)23)14-10-21(11-20-14)15-5-3-4-6-19-15/h3-6,10-13H,2,7-9,18H2,1H3,(H,22,23)/t12-,13?,17-/m1/s1","BEUXTDNZDSFKGE-HTCLMOQTSA-N",null,8.3]
[877,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326336","CC(C)(C)CCn1cnc(c1)[C@]1(C[C@@H]1CCCN)C(O)=O","InChI=1S/C16H27N3O2/c1-15(2,3)6-8-19-10-13(18-11-19)16(14(20)21)9-12(16)5-4-7-17/h10-12H,4-9,17H2,1-3H3,(H,20,21)/t12-,16+/m0/s1","OATNNVUVQQXLHN-BLLLJJGKSA-N",null,8.7]
[878,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326393","C[C@@H](CN)C[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccc(C)cn1","InChI=1S/C17H22N4O2/c1-11-3-4-15(19-8-11)21-9-14(20-10-21)17(16(22)23)6-13(17)5-12(2)7-18/h3-4,8-10,12-13H,5-7,18H2,1-2H3,(H,22,23)/t12-,13+,17-/m1/s1","AAEAYCWJPQORII-IIYDPXPESA-N",null,8.7]
[879,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109239","CC[C@H]1CC[C@@H](CC1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C17H29N3O2/c1-2-13-5-7-16(8-6-13)20-11-15(19-12-20)10-14(17(21)22)4-3-9-18/h11-14,16H,2-10,18H2,1H3,(H,21,22)/t13-,14?,16-","FDZCUYWSKODDEJ-AHJVLWBFSA-N",null,8.8]
[880,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM173904","CC(C)[C@H]1COCCCCCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C29H48N4O6/c1-21(2)26-20-38-17-9-5-3-4-6-10-18-39-23-14-12-22(13-15-23)19-25(27(34)31-26)33-29(37)32-24(28(35)36)11-7-8-16-30/h12-15,21,24-26H,3-11,16-20,30H2,1-2H3,(H,31,34)(H,35,36)(H2,32,33,37)/t24-,25+,26+/m0/s1","QXXFIOYJSRYYSJ-JIMJEQGWSA-N",null,8.8,{"$nulls":4},7.4,"25.00 C"]
[881,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50395731","CCOC(=O)C(C[Se]C(=O)CC)Cc1ccc(N)nc1","InChI=1S/C14H20N2O3Se/c1-3-13(17)20-9-11(14(18)19-4-2)7-10-5-6-12(15)16-8-10/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,15,16)","UHQFZYXCXBJDLU-UHFFFAOYSA-N",null,8.9]
[882,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173918","CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)cc2","InChI=1S/C27H37N5O6/c1-17(2)23-16-37-11-3-4-12-38-20-8-5-18(6-9-20)13-21(25(33)30-23)31-27(36)32-22(26(34)35)14-19-7-10-24(28)29-15-19/h5-10,15,17,21-23H,3-4,11-14,16H2,1-2H3,(H2,28,29)(H,30,33)(H,34,35)(H2,31,32,36)/t21-,22+,23-/m1/s1","ZVEVQADHVAIPND-XPWALMASSA-N",null,9,{"$nulls":4},7.4,"25.00 C"]
[883,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575771","Cn1nc(cc1-c1ccccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O)C(F)(F)F","InChI=1S/C21H28F3N4O4P/c1-27-17(12-18(26-27)21(22,23)24)16-7-3-2-6-15(16)13-28-10-11-33(31,32)20(14-28,19(29)30)8-4-5-9-25/h2-3,6-7,12H,4-5,8-11,13-14,25H2,1H3,(H,29,30)(H,31,32)/t20-/m0/s1","IUPWHEVNFCKRAD-FQEVSTJZSA-N",null,9]
[884,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50575772","NCCCC[C@]1(CN(Cc2ccc(O)cc2-c2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C22H29N2O5P/c23-11-5-4-10-22(21(26)27)16-24(12-13-30(22,28)29)15-18-8-9-19(25)14-20(18)17-6-2-1-3-7-17/h1-3,6-9,14,25H,4-5,10-13,15-16,23H2,(H,26,27)(H,28,29)/t22-/m0/s1","UUDVFKVEPYQVEW-QFIPXVFZSA-N",null,9]
[885,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50089750","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C24H42N4O4/c1-23(2)16-10-11-24(23,3)14-19(16)26-20(29)18(13-15-7-6-8-15)28-22(32)27-17(21(30)31)9-4-5-12-25/h15-19H,4-14,25H2,1-3H3,(H,26,29)(H,30,31)(H2,27,28,32)/t16?,17-,18+,19?,24?/m0/s1","IUEFDVNIRHIKQG-CVYVEZKBSA-N",null,9]
[886,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109263","C[C@H]1CC[C@H](CC1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C16H27N3O2/c1-12-4-6-15(7-5-12)19-10-14(18-11-19)9-13(16(20)21)3-2-8-17/h10-13,15H,2-9,17H2,1H3,(H,20,21)/t12-,13?,15+","AEHFUSPLVGWEEP-UYULQCGDSA-N",null,9.3]
[887,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM109262","NCCCC(Cc1cn(cn1)[C@H]1CC[C@@H](CC1)Oc1ccncc1)C(O)=O","InChI=1S/C20H28N4O3/c21-9-1-2-15(20(25)26)12-16-13-24(14-23-16)17-3-5-18(6-4-17)27-19-7-10-22-11-8-19/h7-8,10-11,13-15,17-18H,1-6,9,12,21H2,(H,25,26)/t15?,17-,18-","WYBOFISFENYTDE-DNLFPKPLSA-N",null,9.8]
[888,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50547476","CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)c2csc1n2)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C21H34N6O5S/c1-12(2)16-19-24-15(11-33-19)17(28)23-10-6-4-7-13(18(29)27-16)25-21(32)26-14(20(30)31)8-3-5-9-22/h11-14,16H,3-10,22H2,1-2H3,(H,23,28)(H,27,29)(H,30,31)(H2,25,26,32)/t13-,14+,16+/m1/s1","ZCHNTIJYUMFUTH-YCPHGPKFSA-N",null,10]
[889,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575773","NCCCC[C@]1(CN(Cc2ccc(Cl)cc2-c2ccc(Cl)cc2)CCP1(O)=O)C(O)=O","InChI=1S/C22H27Cl2N2O4P/c23-18-6-3-16(4-7-18)20-13-19(24)8-5-17(20)14-26-11-12-31(29,30)22(15-26,21(27)28)9-1-2-10-25/h3-8,13H,1-2,9-12,14-15,25H2,(H,27,28)(H,29,30)/t22-/m0/s1","VBCOTJUTZGERNO-QFIPXVFZSA-N",null,10]
[890,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109260","CCC(CN)CC(Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O","InChI=1S/C18H31N3O2/c1-3-14(10-19)8-15(18(22)23)9-16-11-21(12-20-16)17-6-4-13(2)5-7-17/h11-15,17H,3-10,19H2,1-2H3,(H,22,23)/t13-,14?,15?,17-","XGTOBTPXSATSQK-QHEDMNIESA-N",null,10]
[891,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326383","NCCC[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C15H18N4O2/c16-6-3-4-11-8-15(11,14(20)21)12-9-19(10-18-12)13-5-1-2-7-17-13/h1-2,5,7,9-11H,3-4,6,8,16H2,(H,20,21)/t11-,15+/m0/s1","AQKZQQRNPNJJEQ-XHDPSFHLSA-N",null,11]
[892,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326389","C[C@@H](CN)CC1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C16H20N4O2/c1-11(8-17)6-12-7-16(12,15(21)22)13-9-20(10-19-13)14-4-2-3-5-18-14/h2-5,9-12H,6-8,17H2,1H3,(H,21,22)/t11-,12?,16-/m1/s1","FKDQZBMTXAMQNM-DLTQXHKRSA-N",null,11]
[893,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50575774","NCCCC[C@]1(CN(Cc2ccc(F)cc2-c2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C22H28FN2O4P/c23-19-9-8-18(20(14-19)17-6-2-1-3-7-17)15-25-12-13-30(28,29)22(16-25,21(26)27)10-4-5-11-24/h1-3,6-9,14H,4-5,10-13,15-16,24H2,(H,26,27)(H,28,29)/t22-/m0/s1","MUVQYNFUWURBHA-QFIPXVFZSA-N",null,11]
[894,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50201439","NC(N)=Nc1ccc(Cl)c(c1)C(CS)C(O)=O","InChI=1S/C10H12ClN3O2S/c11-8-2-1-5(14-10(12)13)3-6(8)7(4-17)9(15)16/h1-3,7,17H,4H2,(H,15,16)(H4,12,13,14)","DDXTYELBFUMBFH-UHFFFAOYSA-N",null,11]
[895,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM173923","CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)cc2F","InChI=1S/C27H36FN5O6/c1-16(2)22-15-38-9-3-4-10-39-23-7-5-17(11-19(23)28)12-20(25(34)31-22)32-27(37)33-21(26(35)36)13-18-6-8-24(29)30-14-18/h5-8,11,14,16,20-22H,3-4,9-10,12-13,15H2,1-2H3,(H2,29,30)(H,31,34)(H,35,36)(H2,32,33,37)/t20-,21+,22-/m1/s1","PXDQHVXCCCTJKZ-BHIFYINESA-N",null,12,{"$nulls":4},7.4,"25.00 C"]
[896,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50197580","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C25H46N4O5S/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26/h17-21,28-29H,4-16,26H2,1-3H3,(H,27,30)(H,31,32)/t18-,19+,20+,21+,25+/m1/s1","IQHARPQKKWCGEY-PHGOAHNDSA-N",null,12]
[897,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326398","CC[C@H](CN)C[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccc1","InChI=1S/C18H23N3O2/c1-2-13(10-19)8-14-9-18(14,17(22)23)16-11-21(12-20-16)15-6-4-3-5-7-15/h3-7,11-14H,2,8-10,19H2,1H3,(H,22,23)/t13-,14-,18+/m0/s1","AUTWIRMPGHMXAD-SUNYJGFJSA-N",null,12]
[898,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326403","C[C@H](CCN)C1CC1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C16H20N4O2/c1-11(5-6-17)12-8-16(12,15(21)22)13-9-20(10-19-13)14-4-2-3-7-18-14/h2-4,7,9-12H,5-6,8,17H2,1H3,(H,21,22)/t11-,12?,16?/m1/s1","BBYNWGREASBBGG-OPGSHWCFSA-N",null,12]
[899,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM109249","NCCCC(Cc1cn(cn1)C1C2CC3CC(C2)CC1C3)C(O)=O","InChI=1S/C19H29N3O2/c20-3-1-2-14(19(23)24)9-17-10-22(11-21-17)18-15-5-12-4-13(7-15)8-16(18)6-12/h10-16,18H,1-9,20H2,(H,23,24)","WSBZOSHMXZRDKY-UHFFFAOYSA-N",null,12]
[900,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50144333","CC(C)CCCn1cnc(c1)C(Cc1cnc(N)c(C)c1)C(O)=O","InChI=1S/C18H26N4O2/c1-12(2)5-4-6-22-10-16(21-11-22)15(18(23)24)8-14-7-13(3)17(19)20-9-14/h7,9-12,15H,4-6,8H2,1-3H3,(H2,19,20)(H,23,24)","SCNVVBWMMXFKQU-UHFFFAOYSA-N",null,12]
[901,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326365","NCCC[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccc1","InChI=1S/C16H19N3O2/c17-8-4-5-12-9-16(12,15(20)21)14-10-19(11-18-14)13-6-2-1-3-7-13/h1-3,6-7,10-12H,4-5,8-9,17H2,(H,20,21)/t12-,16+/m0/s1","YKCVEFPDNCZBMZ-BLLLJJGKSA-N",null,13]
[902,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326388","CCC(CN)CC1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccc1","InChI=1S/C18H23N3O2/c1-2-13(10-19)8-14-9-18(14,17(22)23)16-11-21(12-20-16)15-6-4-3-5-7-15/h3-7,11-14H,2,8-10,19H2,1H3,(H,22,23)/t13?,14?,18-/m1/s1","AUTWIRMPGHMXAD-WTNGLUPJSA-N",null,13]
[903,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109250","NCCCC(Cc1cn(cn1)[C@H]1CC[C@@H](CC1)Oc1ccccc1)C(O)=O","InChI=1S/C21H29N3O3/c22-12-4-5-16(21(25)26)13-17-14-24(15-23-17)18-8-10-20(11-9-18)27-19-6-2-1-3-7-19/h1-3,6-7,14-16,18,20H,4-5,8-13,22H2,(H,25,26)/t16?,18-,20-","ZALSOORDNKVPOI-WTXWRMNVSA-N",null,13]
[904,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326340","C[C@H]1CC[C@@H](CC1)n1cnc(c1)C1(CC1CCCN)C(O)=O","InChI=1S/C17H27N3O2/c1-12-4-6-14(7-5-12)20-10-15(19-11-20)17(16(21)22)9-13(17)3-2-8-18/h10-14H,2-9,18H2,1H3,(H,21,22)/t12-,13?,14-,17?","IRURIAOJBDPHHN-YMMWLQRMSA-N",null,14]
[905,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326385","COC(=O)[C@@]1(C[C@@H]1C[C@@H](C)CNC(=O)OC(C)(C)C)c1cn(cn1)-c1ccccc1","InChI=1S/C23H31N3O4/c1-16(13-24-21(28)30-22(2,3)4)11-17-12-23(17,20(27)29-5)19-14-26(15-25-19)18-9-7-6-8-10-18/h6-10,14-17H,11-13H2,1-5H3,(H,24,28)/t16-,17+,23-/m1/s1","HWBAEPQFGSMWCU-SAHWJRBASA-N",null,14]
[906,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109240","CCC1CC(C1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C15H25N3O2/c1-2-11-6-14(7-11)18-9-13(17-10-18)8-12(15(19)20)4-3-5-16/h9-12,14H,2-8,16H2,1H3,(H,19,20)","NAMYEQZWSGWUPW-UHFFFAOYSA-N",null,14]
[907,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109247","NCCCC(Cc1cn(cn1)[C@@H]1CC2CCC1C2)C(O)=O","InChI=1S/C16H25N3O2/c17-5-1-2-13(16(20)21)8-14-9-19(10-18-14)15-7-11-3-4-12(15)6-11/h9-13,15H,1-8,17H2,(H,20,21)/t11?,12?,13?,15-/m1/s1","MSFPTFZXHMPOFF-CDKPOMLUSA-N",null,14]
[908,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM326365","NCCC[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccc1","InChI=1S/C16H19N3O2/c17-8-4-5-12-9-16(12,15(20)21)14-10-19(11-18-14)13-6-2-1-3-7-13/h1-3,6-7,10-12H,4-5,8-9,17H2,(H,20,21)/t12-,16+/m0/s1","YKCVEFPDNCZBMZ-BLLLJJGKSA-N",null,15]
[909,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089742","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](Cc1ccccc1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C26H40N4O4/c1-25(2)18-12-13-26(25,3)16-21(18)28-22(31)20(15-17-9-5-4-6-10-17)30-24(34)29-19(23(32)33)11-7-8-14-27/h4-6,9-10,18-21H,7-8,11-16,27H2,1-3H3,(H,28,31)(H,32,33)(H2,29,30,34)/t18?,19-,20+,21?,26?/m0/s1","AANQTNMGFYVHSF-HPIYHLJDSA-N",null,15]
[910,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50089748","CCC[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC1CC2(C)CCC1C2(C)C","InChI=1S/C22H40N4O4/c1-5-8-15(25-20(30)26-16(19(28)29)9-6-7-12-23)18(27)24-17-13-22(4)11-10-14(17)21(22,2)3/h14-17H,5-13,23H2,1-4H3,(H,24,27)(H,28,29)(H2,25,26,30)/t14?,15-,16+,17?,22?/m1/s1","DXLYYZBSYPQQBL-VFNIDKIXSA-N",null,15]
[911,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326342","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(C)cc1","InChI=1S/C28H39N3O6/c1-19-11-13-21(14-12-19)30-17-22(29-18-30)28(23(32)35-8)16-20(28)10-9-15-31(24(33)36-26(2,3)4)25(34)37-27(5,6)7/h11-14,17-18,20H,9-10,15-16H2,1-8H3","DQTFKEIZUTYKSB-UHFFFAOYSA-N",null,16]
[912,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326379","COc1ccc(nc1)-n1cnc(c1)C1(CC1CCCNC(=O)OC(C)(C)C)C#N","InChI=1S/C21H27N5O3/c1-20(2,3)29-19(27)23-9-5-6-15-10-21(15,13-22)17-12-26(14-25-17)18-8-7-16(28-4)11-24-18/h7-8,11-12,14-15H,5-6,9-10H2,1-4H3,(H,23,27)","QELFMTDIVROIAE-UHFFFAOYSA-N",null,16]
[913,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326381","CC(C)(C)OC(=O)NCCCC1CC1(C#N)c1cn(cn1)-c1cc2ccccc2cn1","InChI=1S/C24H27N5O2/c1-23(2,3)31-22(30)26-10-6-9-19-12-24(19,15-25)20-14-29(16-28-20)21-11-17-7-4-5-8-18(17)13-27-21/h4-5,7-8,11,13-14,16,19H,6,9-10,12H2,1-3H3,(H,26,30)","XMTPTCDXVJZEJE-UHFFFAOYSA-N",null,16]
[914,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173908","NCCCCC(NC(=O)N[C@@H]1CCCCCCCCOCCNC1=O)C(O)=O","InChI=1S/C19H36N4O5/c20-11-7-6-10-16(18(25)26)23-19(27)22-15-9-5-3-1-2-4-8-13-28-14-12-21-17(15)24/h15-16H,1-14,20H2,(H,21,24)(H,25,26)(H2,22,23,27)/t15-,16?/m1/s1","DVULGIIJYZWCHK-AAFJCEBUSA-N",null,17,{"$nulls":4},7.4,"25.00 C"]
[915,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575764","NCCCCC1(CN(Cc2ccccc2-c2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C22H29N2O4P/c23-13-7-6-12-22(21(25)26)17-24(14-15-29(22,27)28)16-19-10-4-5-11-20(19)18-8-2-1-3-9-18/h1-5,8-11H,6-7,12-17,23H2,(H,25,26)(H,27,28)","TZBHVEYERYTMRS-UHFFFAOYSA-N",null,17]
[916,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326384","Cc1ccc(nc1)-n1cnc(c1)C1(CC1CCCN)C(O)=O","InChI=1S/C16H20N4O2/c1-11-4-5-14(18-8-11)20-9-13(19-10-20)16(15(21)22)7-12(16)3-2-6-17/h4-5,8-10,12H,2-3,6-7,17H2,1H3,(H,21,22)","ZPFMNMNWJGHXRK-UHFFFAOYSA-N",null,18]
[917,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM109245","CC1CCCC(C1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C16H27N3O2/c1-12-4-2-6-15(8-12)19-10-14(18-11-19)9-13(16(20)21)5-3-7-17/h10-13,15H,2-9,17H2,1H3,(H,20,21)","RUGXMJXNVBQNEE-UHFFFAOYSA-N",null,18]
[918,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50089752","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCN)C(O)=O","InChI=1S/C25H44N4O4/c1-24(2)17-11-12-25(24,3)15-20(17)27-21(30)19(14-16-8-5-4-6-9-16)29-23(33)28-18(22(31)32)10-7-13-26/h16-20H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)(H2,28,29,33)/t17?,18-,19+,20?,25?/m0/s1","DIMNQIOXFWXAEU-QNRKRJGYSA-N",null,18]
[919,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173903","CC(C)(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C26H42N4O6/c1-26(2,3)22-17-35-14-6-7-15-36-19-11-9-18(10-12-19)16-21(23(31)30-22)29-25(34)28-20(24(32)33)8-4-5-13-27/h9-12,20-22H,4-8,13-17,27H2,1-3H3,(H,30,31)(H,32,33)(H2,28,29,34)/t20-,21+,22+/m0/s1","YWHUEJHOMUURMA-BHDDXSALSA-N",null,19,{"$nulls":4},7.4,"25.00 C"]
[920,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326376","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(F)cn1","InChI=1S/C27H37FN4O6/c1-8-36-22(33)27(20-16-31(17-30-20)21-12-11-19(28)15-29-21)14-18(27)10-9-13-32(23(34)37-25(2,3)4)24(35)38-26(5,6)7/h11-12,15-18H,8-10,13-14H2,1-7H3","GCUVSXYFBMENNG-UHFFFAOYSA-N",null,19]
[921,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326399","Cc1ccnc(c1)-n1cnc(c1)C1(CC1CCCN)C(O)=O","InChI=1S/C16H20N4O2/c1-11-4-6-18-14(7-11)20-9-13(19-10-20)16(15(21)22)8-12(16)3-2-5-17/h4,6-7,9-10,12H,2-3,5,8,17H2,1H3,(H,21,22)","CRYYMVRUSLUZSY-UHFFFAOYSA-N",null,19]
[922,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109244","CC1(O)CCC(CC1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C16H27N3O3/c1-16(22)6-4-14(5-7-16)19-10-13(18-11-19)9-12(15(20)21)3-2-8-17/h10-12,14,22H,2-9,17H2,1H3,(H,20,21)","GESSUOCTJXXJDY-UHFFFAOYSA-N",null,19]
[923,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM109261","NCCCC(Cc1cn(cn1)[C@@H]1CC[C@H](O)CC1)C(O)=O","InChI=1S/C15H25N3O3/c16-7-1-2-11(15(20)21)8-12-9-18(10-17-12)13-3-5-14(19)6-4-13/h9-11,13-14,19H,1-8,16H2,(H,20,21)/t11?,13-,14+","CEXOYROFZTUKIF-QXMXGUDHSA-N",null,19]
[924,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50089707","NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NC1C2CC3CC(C2)CC1C3)C(O)=O","InChI=1S/C26H44N4O4/c27-9-5-4-8-21(25(32)33)28-26(34)29-22(15-16-6-2-1-3-7-16)24(31)30-23-19-11-17-10-18(13-19)14-20(23)12-17/h16-23H,1-15,27H2,(H,30,31)(H,32,33)(H2,28,29,34)/t17?,18?,19?,20?,21-,22+,23?/m0/s1","UHQNMIWTWXKYFL-DUZZCOBJSA-N",null,19]
[925,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173922","CC(C)[C@H]1COCCCCc2ccc(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)cc2","InChI=1S/C27H37N5O5/c1-17(2)23-16-37-12-4-3-5-18-6-8-19(9-7-18)13-21(25(33)30-23)31-27(36)32-22(26(34)35)14-20-10-11-24(28)29-15-20/h6-11,15,17,21-23H,3-5,12-14,16H2,1-2H3,(H2,28,29)(H,30,33)(H,34,35)(H2,31,32,36)/t21-,22+,23-/m1/s1","OAJFUQYROAKCKW-XPWALMASSA-N",null,21,{"$nulls":4},7.4,"25.00 C"]
[926,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326350","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(F)cc1","InChI=1S/C27H36FN3O6/c1-25(2,3)36-23(33)31(24(34)37-26(4,5)6)14-8-9-18-15-27(18,22(32)35-7)21-16-30(17-29-21)20-12-10-19(28)11-13-20/h10-13,16-18H,8-9,14-15H2,1-7H3","MBMPZGJMHDYWBV-UHFFFAOYSA-N",null,21]
[927,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109237","NCCCC(Cc1cn(cn1)C1CCCCC1)C(O)=O","InChI=1S/C15H25N3O2/c16-8-4-5-12(15(19)20)9-13-10-18(11-17-13)14-6-2-1-3-7-14/h10-12,14H,1-9,16H2,(H,19,20)","FNFACZYHQHRMSK-UHFFFAOYSA-N",null,21]
[928,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109242","NCCCC(Cc1cn(cn1)[C@H]1C[C@@H]2C[C@@H]2C1)C(O)=O","InChI=1S/C15H23N3O2/c16-3-1-2-10(15(19)20)5-13-8-18(9-17-13)14-6-11-4-12(11)7-14/h8-12,14H,1-7,16H2,(H,19,20)/t10?,11-,12+,14-","ZZLRTOGULJOLII-NPORBRKHSA-N",null,21]
[929,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109246","NCCCC(Cc1cn(cn1)C1CCCCCC1)C(O)=O","InChI=1S/C16H27N3O2/c17-9-5-6-13(16(20)21)10-14-11-19(12-18-14)15-7-3-1-2-4-8-15/h11-13,15H,1-10,17H2,(H,20,21)","MHKMIQNCAHVRCX-UHFFFAOYSA-N",null,21]
[930,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM109255","C[C@H]1CC[C@@H](CC1)n1cnc(CC(N2CC[C@H](N)C2)C(O)=O)c1","InChI=1S/C17H28N4O2/c1-12-2-4-15(5-3-12)21-10-14(19-11-21)8-16(17(22)23)20-7-6-13(18)9-20/h10-13,15-16H,2-9,18H2,1H3,(H,22,23)/t12-,13-,15-,16?/m0/s1","VWNRFOAGDPZBET-ALLFYKQTSA-N",null,21]
[931,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50135935","Nc1ccc(CC(C(O)=O)c2cn(Cc3ccccc3)cn2)cn1","InChI=1S/C18H18N4O2/c19-17-7-6-14(9-20-17)8-15(18(23)24)16-11-22(12-21-16)10-13-4-2-1-3-5-13/h1-7,9,11-12,15H,8,10H2,(H2,19,20)(H,23,24)","JEQHGJNDKUBBFJ-UHFFFAOYSA-N",null,21]
[932,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM173926","CC(C)[C@H]1COCCC(=O)Nc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C24H37N5O6/c1-15(2)20-14-35-12-10-21(30)26-17-8-6-16(7-9-17)13-19(22(31)27-20)29-24(34)28-18(23(32)33)5-3-4-11-25/h6-9,15,18-20H,3-5,10-14,25H2,1-2H3,(H,26,30)(H,27,31)(H,32,33)(H2,28,29,34)/t18-,19+,20+/m0/s1","VSIDOZVYCSEJST-XUVXKRRUSA-N",null,22,{"$nulls":4},7.4,"25.00 C"]
[933,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173926","CC(C)[C@H]1COCCC(=O)Nc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C24H37N5O6/c1-15(2)20-14-35-12-10-21(30)26-17-8-6-16(7-9-17)13-19(22(31)27-20)29-24(34)28-18(23(32)33)5-3-4-11-25/h6-9,15,18-20H,3-5,10-14,25H2,1-2H3,(H,26,30)(H,27,31)(H,32,33)(H2,28,29,34)/t18-,19+,20+/m0/s1","VSIDOZVYCSEJST-XUVXKRRUSA-N",null,22]
[934,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM173929","CC(C)[C@H]1COCC(O)C(O)COc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C25H40N4O8/c1-15(2)20-12-36-13-21(30)22(31)14-37-17-8-6-16(7-9-17)11-19(23(32)27-20)29-25(35)28-18(24(33)34)5-3-4-10-26/h6-9,15,18-22,30-31H,3-5,10-14,26H2,1-2H3,(H,27,32)(H,33,34)(H2,28,29,35)/t18-,19+,20+,21?,22?/m0/s1","SMXQWQOLIUDIHX-HOGRCIIVSA-N",null,23,{"$nulls":4},7.4,"25.00 C"]
[935,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144336","CC(C)CCn1cnc(c1)C(Cc1cnc(N)c(C)c1)C(O)=O","InChI=1S/C17H24N4O2/c1-11(2)4-5-21-9-15(20-10-21)14(17(22)23)7-13-6-12(3)16(18)19-8-13/h6,8-11,14H,4-5,7H2,1-3H3,(H2,18,19)(H,22,23)","OZYRJZYEHVFCDS-UHFFFAOYSA-N",null,23]
[936,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50144317","CC(C)CCn1cnc(c1)C(CCCCN)C(O)=O","InChI=1S/C14H25N3O2/c1-11(2)6-8-17-9-13(16-10-17)12(14(18)19)5-3-4-7-15/h9-12H,3-8,15H2,1-2H3,(H,18,19)","AOIWFDFLMKUPPW-UHFFFAOYSA-N",null,24]
[937,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326353","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(Cl)cc1","InChI=1S/C28H38ClN3O6/c1-8-36-23(33)28(22-17-31(18-30-22)21-13-11-20(29)12-14-21)16-19(28)10-9-15-32(24(34)37-26(2,3)4)25(35)38-27(5,6)7/h11-14,17-19H,8-10,15-16H2,1-7H3","QQHICDIVRINOOI-UHFFFAOYSA-N",null,25]
[938,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109248","NCCCC(Cc1cn(cn1)[C@H]1CC2CCC1C2)C(O)=O","InChI=1S/C16H25N3O2/c17-5-1-2-13(16(20)21)8-14-9-19(10-18-14)15-7-11-3-4-12(15)6-11/h9-13,15H,1-8,17H2,(H,20,21)/t11?,12?,13?,15-/m0/s1","MSFPTFZXHMPOFF-WOFVOEOOSA-N",null,25]
[939,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326378","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc2occc2c1","InChI=1S/C29H37N3O7/c1-27(2,3)38-25(34)32(26(35)39-28(4,5)6)13-8-9-20-16-29(20,24(33)36-7)23-17-31(18-30-23)21-10-11-22-19(15-21)12-14-37-22/h10-12,14-15,17-18,20H,8-9,13,16H2,1-7H3","HWWBGIAPNXCOMA-UHFFFAOYSA-N",null,26]
[940,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM109243","NCCCC(Cc1cn(cn1)[C@H]1CC[C@H](O)CC1)C(O)=O","InChI=1S/C15H25N3O3/c16-7-1-2-11(15(20)21)8-12-9-18(10-17-12)13-3-5-14(19)6-4-13/h9-11,13-14,19H,1-8,16H2,(H,20,21)/t11?,13-,14-","CEXOYROFZTUKIF-RCWADLFESA-N",null,26]
[941,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50197528","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1ccc(N)nc1)C(O)=O","InChI=1S/C27H43N5O5S/c1-26(2)19-11-12-27(26,3)22(15-19)30-24(33)20(13-17-7-5-4-6-8-17)31-38(36,37)32-21(25(34)35)14-18-9-10-23(28)29-16-18/h9-10,16-17,19-22,31-32H,4-8,11-15H2,1-3H3,(H2,28,29)(H,30,33)(H,34,35)/t19-,20+,21+,22+,27+/m1/s1","QHXMEEQJYRVZQW-HKVSAHRDSA-N",null,26]
[942,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326356","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc2ccccc2c1","InChI=1S/C32H41N3O6/c1-8-39-27(36)32(26-20-34(21-33-26)25-16-15-22-12-9-10-13-23(22)18-25)19-24(32)14-11-17-35(28(37)40-30(2,3)4)29(38)41-31(5,6)7/h9-10,12-13,15-16,18,20-21,24H,8,11,14,17,19H2,1-7H3","OOSFUHURBBEUAN-UHFFFAOYSA-N",null,27]
[943,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326341","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccccc1","InChI=1S/C27H37N3O6/c1-25(2,3)35-23(32)30(24(33)36-26(4,5)6)15-11-12-19-16-27(19,22(31)34-7)21-17-29(18-28-21)20-13-9-8-10-14-20/h8-10,13-14,17-19H,11-12,15-16H2,1-7H3","UJVDFWJVJPJVJK-UHFFFAOYSA-N",null,27]
[944,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173902","C[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C23H36N4O6/c1-16-15-32-12-4-5-13-33-18-9-7-17(8-10-18)14-20(21(28)25-16)27-23(31)26-19(22(29)30)6-2-3-11-24/h7-10,16,19-20H,2-6,11-15,24H2,1H3,(H,25,28)(H,29,30)(H2,26,27,31)/t16-,19-,20+/m0/s1","YWCJFURUASFZHP-FFZOFVMBSA-N",null,29,{"$nulls":4},7.4,"25.00 C"]
[945,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326339","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)C1CCCCC1","InChI=1S/C27H43N3O6/c1-25(2,3)35-23(32)30(24(33)36-26(4,5)6)15-11-12-19-16-27(19,22(31)34-7)21-17-29(18-28-21)20-13-9-8-10-14-20/h17-20H,8-16H2,1-7H3","QEDCJYLUJWBGTA-UHFFFAOYSA-N",null,29]
[946,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326360","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccccn1","InChI=1S/C27H38N4O6/c1-8-35-22(32)27(20-17-30(18-29-20)21-13-9-10-14-28-21)16-19(27)12-11-15-31(23(33)36-25(2,3)4)24(34)37-26(5,6)7/h9-10,13-14,17-19H,8,11-12,15-16H2,1-7H3","IUDKZRZTRYNEKG-UHFFFAOYSA-N",null,29]
[947,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326375","CC(C)(C)OC(=O)N(CCCC1CC1(C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(cc1)[N+]#[C-])C(=O)OC(C)(C)C","InChI=1S/C31H42N4O6/c1-28(2,3)39-25(36)31(24-19-34(20-33-24)23-15-13-22(32-10)14-16-23)18-21(31)12-11-17-35(26(37)40-29(4,5)6)27(38)41-30(7,8)9/h13-16,19-21H,11-12,17-18H2,1-9H3","FLSIKRXJRXEXHX-UHFFFAOYSA-N",null,29]
[948,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326374","CC(C)(C)OC(=O)N(CCCC1CC1(C(=O)OC(C)(C)C)c1cn(cn1)-c1ncccn1)C(=O)OC(C)(C)C","InChI=1S/C28H41N5O6/c1-25(2,3)37-21(34)28(20-17-32(18-31-20)22-29-13-11-14-30-22)16-19(28)12-10-15-33(23(35)38-26(4,5)6)24(36)39-27(7,8)9/h11,13-14,17-19H,10,12,15-16H2,1-9H3","OJVIIJZFNGAOQG-UHFFFAOYSA-N",null,30]
[949,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM326346","CCc1ccc(cc1)-n1cnc(c1)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC","InChI=1S/C29H41N3O6/c1-9-20-12-14-22(15-13-20)31-18-23(30-19-31)29(24(33)36-8)17-21(29)11-10-16-32(25(34)37-27(2,3)4)26(35)38-28(5,6)7/h12-15,18-19,21H,9-11,16-17H2,1-8H3","LLJRRPLGGDYOEA-UHFFFAOYSA-N",null,31]
[950,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50089702","NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O","InChI=1S/C26H44N4O4/c27-9-5-4-8-21(24(32)33)28-25(34)29-22(13-17-6-2-1-3-7-17)23(31)30-26-14-18-10-19(15-26)12-20(11-18)16-26/h17-22H,1-16,27H2,(H,30,31)(H,32,33)(H2,28,29,34)/t18?,19?,20?,21-,22+,26?/m0/s1","VKZAQVIYSIRHRU-LJHZMQABSA-N",null,31]
[951,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575778","COc1ccc(cc1)-c1cccc(F)c1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O","InChI=1S/C23H30FN2O5P/c1-31-18-9-7-17(8-10-18)19-5-4-6-21(24)20(19)15-26-13-14-32(29,30)23(16-26,22(27)28)11-2-3-12-25/h4-10H,2-3,11-16,25H2,1H3,(H,27,28)(H,29,30)/t23-/m0/s1","ODYNRMOUMKLRNU-QHCPKHFHSA-N",null,31]
[952,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173920","Nc1ccc(C[C@H](NC(=O)N[C@@H]2Cc3ccc(OCCCCOC[C@@H](NC2=O)C2CC2)cc3)C(O)=O)cn1","InChI=1S/C27H35N5O6/c28-24-10-5-18(15-29-24)14-22(26(34)35)32-27(36)31-21-13-17-3-8-20(9-4-17)38-12-2-1-11-37-16-23(19-6-7-19)30-25(21)33/h3-5,8-10,15,19,21-23H,1-2,6-7,11-14,16H2,(H2,28,29)(H,30,33)(H,34,35)(H2,31,32,36)/t21-,22+,23-/m1/s1","PZGKNOUEAVBGDC-XPWALMASSA-N",null,32,{"$nulls":4},7.4,"25.00 C"]
[953,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326391","C[C@H](CN)CC1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C16H20N4O2/c1-11(8-17)6-12-7-16(12,15(21)22)13-9-20(10-19-13)14-4-2-3-5-18-14/h2-5,9-12H,6-8,17H2,1H3,(H,21,22)/t11-,12?,16+/m0/s1","FKDQZBMTXAMQNM-QRUKAPELSA-N",null,33]
[954,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173930","CC(C)[C@H]1COCC(O)CCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C25H40N4O7/c1-16(2)22-15-35-14-18(30)10-12-36-19-8-6-17(7-9-19)13-21(23(31)27-22)29-25(34)28-20(24(32)33)5-3-4-11-26/h6-9,16,18,20-22,30H,3-5,10-15,26H2,1-2H3,(H,27,31)(H,32,33)(H2,28,29,34)/t18?,20-,21+,22+/m0/s1","HRYCSZDOJDGWOJ-DGWNDXHESA-N",null,33,{"$nulls":4},7.4,"25.00 C"]
[955,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109257","C[C@H](CN)C[C@H](Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O","InChI=1S/C17H29N3O2/c1-12-3-5-16(6-4-12)20-10-15(19-11-20)8-14(17(21)22)7-13(2)9-18/h10-14,16H,3-9,18H2,1-2H3,(H,21,22)/t12-,13-,14+,16-/m0/s1","OMGSNJPCQBNRPB-AYDFFVQHSA-N",null,34]
[956,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326367","COC(=O)C1(CC1CC(C)CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccccc1","InChI=1S/C28H39N3O6/c1-19(16-31(24(33)36-26(2,3)4)25(34)37-27(5,6)7)14-20-15-28(20,23(32)35-8)22-17-30(18-29-22)21-12-10-9-11-13-21/h9-13,17-20H,14-16H2,1-8H3","LUBPGZAVMNOCDD-UHFFFAOYSA-N",null,35]
[957,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326386","C[C@H](CN)C[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccc1","InChI=1S/C17H21N3O2/c1-12(9-18)7-13-8-17(13,16(21)22)15-10-20(11-19-15)14-5-3-2-4-6-14/h2-6,10-13H,7-9,18H2,1H3,(H,21,22)/t12-,13-,17+/m0/s1","TYNKRGKXUGBUBH-GDZNZVCISA-N",null,35]
[958,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109241","CC1CC(C1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C14H23N3O2/c1-10-5-13(6-10)17-8-12(16-9-17)7-11(14(18)19)3-2-4-15/h8-11,13H,2-7,15H2,1H3,(H,18,19)","RVVSJGCFVKMYPN-UHFFFAOYSA-N",null,35]
[959,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM326371","CC(CCN)C1CC1(C(O)=O)c1cn(cn1)-c1ccccc1","InChI=1S/C17H21N3O2/c1-12(7-8-18)14-9-17(14,16(21)22)15-10-20(11-19-15)13-5-3-2-4-6-13/h2-6,10-12,14H,7-9,18H2,1H3,(H,21,22)","LIFRHKYTAAVMDJ-UHFFFAOYSA-N",null,36]
[960,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50135940","CCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O","InChI=1S/C13H16N4O2/c1-2-17-7-11(16-8-17)10(13(18)19)5-9-3-4-12(14)15-6-9/h3-4,6-8,10H,2,5H2,1H3,(H2,14,15)(H,18,19)","HWISMQLAUIIGRF-UHFFFAOYSA-N",null,36]
[961,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326347","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(OC)cc1","InChI=1S/C28H39N3O7/c1-26(2,3)37-24(33)31(25(34)38-27(4,5)6)15-9-10-19-16-28(19,23(32)36-8)22-17-30(18-29-22)20-11-13-21(35-7)14-12-20/h11-14,17-19H,9-10,15-16H2,1-8H3","SLLSMVYOQQRTFQ-UHFFFAOYSA-N",null,36]
[962,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM326343","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1cccc(C)c1","InChI=1S/C28H39N3O6/c1-19-11-9-13-21(15-19)30-17-22(29-18-30)28(23(32)35-8)16-20(28)12-10-14-31(24(33)36-26(2,3)4)25(34)37-27(5,6)7/h9,11,13,15,17-18,20H,10,12,14,16H2,1-8H3","JKNYRAZXPDRPMD-UHFFFAOYSA-N",null,37]
[963,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201428","OC(=O)C(CS)C1CCNCC1","InChI=1S/C8H15NO2S/c10-8(11)7(5-12)6-1-3-9-4-2-6/h6-7,9,12H,1-5H2,(H,10,11)","AYOUKDACKXEDFA-UHFFFAOYSA-N",null,37]
[964,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089754","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CS(=O)(=O)CCN)C(O)=O","InChI=1S/C25H44N4O6S/c1-24(2)17-9-10-25(24,3)14-19(17)27-21(30)18(13-16-7-5-4-6-8-16)28-23(33)29-20(22(31)32)15-36(34,35)12-11-26/h16-20H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)(H2,28,29,33)/t17?,18-,19?,20+,25?/m1/s1","NMYGKFJQKUMIDO-IFVPPNBGSA-N",null,38]
[965,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50197541","NCCCC[C@H](NC(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CC2CCC1C2)C(O)=O","InChI=1S/C23H40N4O4/c24-11-5-4-8-18(22(29)30)26-23(31)27-20(13-15-6-2-1-3-7-15)21(28)25-19-14-16-9-10-17(19)12-16/h15-20H,1-14,24H2,(H,25,28)(H,29,30)(H2,26,27,31)/t16?,17?,18-,19?,20-/m0/s1","HKPGTWCJLYFZSN-KJPRWFPHSA-N",null,38]
[966,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM326368","COC(=O)C1(CC1CC(C)CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(C)cc1","InChI=1S/C29H41N3O6/c1-19-10-12-22(13-11-19)31-17-23(30-18-31)29(24(33)36-9)15-21(29)14-20(2)16-32(25(34)37-27(3,4)5)26(35)38-28(6,7)8/h10-13,17-18,20-21H,14-16H2,1-9H3","WUABPXZRIPMTOY-UHFFFAOYSA-N",null,39]
[967,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50089741","NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NC1CC2CCC1C2)C(O)=O","InChI=1S/C23H40N4O4/c24-11-5-4-8-18(22(29)30)26-23(31)27-20(13-15-6-2-1-3-7-15)21(28)25-19-14-16-9-10-17(19)12-16/h15-20H,1-14,24H2,(H,25,28)(H,29,30)(H2,26,27,31)/t16?,17?,18-,19?,20+/m0/s1","HKPGTWCJLYFZSN-AXGZHYKBSA-N",null,39]
[968,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326357","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1cccc(F)c1","InChI=1S/C28H38FN3O6/c1-8-36-23(33)28(22-17-31(18-30-22)21-13-9-12-20(29)15-21)16-19(28)11-10-14-32(24(34)37-26(2,3)4)25(35)38-27(5,6)7/h9,12-13,15,17-19H,8,10-11,14,16H2,1-7H3","GNXBOSHAQUUWGX-UHFFFAOYSA-N",null,40]
[969,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173928","CC(C)[C@H]1COCCNC(=O)c2ccc(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)cc2","InChI=1S/C26H34N6O6/c1-15(2)21-14-38-10-9-28-23(33)18-6-3-16(4-7-18)11-19(24(34)30-21)31-26(37)32-20(25(35)36)12-17-5-8-22(27)29-13-17/h3-8,13,15,19-21H,9-12,14H2,1-2H3,(H2,27,29)(H,28,33)(H,30,34)(H,35,36)(H2,31,32,37)/t19-,20+,21-/m1/s1","TXPMYHVVLIAOAI-QHAWAJNXSA-N",null,40,{"$nulls":4},7.4,"25.00 C"]
[970,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM326401","CCC[C@@H](CN)C[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C18H24N4O2/c1-2-5-13(10-19)8-14-9-18(14,17(23)24)15-11-22(12-21-15)16-6-3-4-7-20-16/h3-4,6-7,11-14H,2,5,8-10,19H2,1H3,(H,23,24)/t13-,14+,18-/m1/s1","VWJRFIBJYVHSGS-QWQRMKEZSA-N",null,41]
[971,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008272","CC(C)CCn1cnc2C[C@@](CCCN)(CCc12)C(O)=O","InChI=1S/C16H27N3O2.ClH/c1-12(2)5-9-19-11-18-13-10-16(15(20)21,6-3-8-17)7-4-14(13)19;/h11-12H,3-10,17H2,1-2H3,(H,20,21);1H/t16-;/m1./s1","ZKDOGGVTIBLFAB-PKLMIRHRSA-N",null,"<41"]
[972,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50008279","Cl.NCCC[C@]1(CCn2c(C1)ncc2-c1cccc(c1)-c1ccc(Cl)cc1Cl)C(O)=O","InChI=1S/C23H23Cl2N3O2.ClH/c24-17-5-6-18(19(25)12-17)15-3-1-4-16(11-15)20-14-27-21-13-23(22(29)30,7-2-9-26)8-10-28(20)21;/h1,3-6,11-12,14H,2,7-10,13,26H2,(H,29,30);1H/t23-;/m1./s1","IOOZRTSDGXVNMZ-GNAFDRTKSA-N",null,"<41"]
[973,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM326345","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(C)c(C)c1","InChI=1S/C29H41N3O6/c1-19-12-13-22(15-20(19)2)31-17-23(30-18-31)29(24(33)36-9)16-21(29)11-10-14-32(25(34)37-27(3,4)5)26(35)38-28(6,7)8/h12-13,15,17-18,21H,10-11,14,16H2,1-9H3","MBUJRUXYFIOFLK-UHFFFAOYSA-N",null,42]
[974,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50547477","CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)c2coc1n2)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C21H34N6O6/c1-12(2)16-19-24-15(11-33-19)17(28)23-10-6-4-7-13(18(29)27-16)25-21(32)26-14(20(30)31)8-3-5-9-22/h11-14,16H,3-10,22H2,1-2H3,(H,23,28)(H,27,29)(H,30,31)(H2,25,26,32)/t13-,14+,16+/m1/s1","IVSZWCXUYIMPML-YCPHGPKFSA-N",null,42]
[975,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50197542","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCNC(N)=N)C(O)=O","InChI=1S/C25H46N6O5S/c1-24(2)17-11-12-25(24,3)20(15-17)29-21(32)19(14-16-8-5-4-6-9-16)31-37(35,36)30-18(22(33)34)10-7-13-28-23(26)27/h16-20,30-31H,4-15H2,1-3H3,(H,29,32)(H,33,34)(H4,26,27,28)/t17-,18+,19+,20+,25+/m1/s1","IXONGSRYYIUNOM-PDGNJTGUSA-N",null,49]
[976,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM173900","CCC[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C25H40N4O6/c1-2-7-19-17-34-14-5-6-15-35-20-11-9-18(10-12-20)16-22(23(30)27-19)29-25(33)28-21(24(31)32)8-3-4-13-26/h9-12,19,21-22H,2-8,13-17,26H2,1H3,(H,27,30)(H,31,32)(H2,28,29,33)/t19-,21-,22+/m0/s1","MUSDITPAESWTFE-ILWGZMRPSA-N",null,49,{"$nulls":4},7.4,"25.00 C"]
[977,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135937","Cn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O","InChI=1S/C12H14N4O2/c1-16-6-10(15-7-16)9(12(17)18)4-8-2-3-11(13)14-5-8/h2-3,5-7,9H,4H2,1H3,(H2,13,14)(H,17,18)","LWFBPJVVEKHBIQ-UHFFFAOYSA-N",null,50]
[978,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50197526","Cl.CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C25H46N4O5S.ClH/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26;/h17-21,28-29H,4-16,26H2,1-3H3,(H,27,30)(H,31,32);1H/t18-,19+,20+,21+,25+;/m1./s1","SXAUCWSUBICAAS-LZZNFXAASA-N",null,51]
[979,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM326351","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(Oc2ccccc2)cc1","InChI=1S/C33H41N3O7/c1-31(2,3)42-29(38)36(30(39)43-32(4,5)6)19-11-12-23-20-33(23,28(37)40-7)27-21-35(22-34-27)24-15-17-26(18-16-24)41-25-13-9-8-10-14-25/h8-10,13-18,21-23H,11-12,19-20H2,1-7H3","IZYLTBGVWKUOEO-UHFFFAOYSA-N",null,52]
[980,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135938","CC(C)n1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O","InChI=1S/C14H18N4O2/c1-9(2)18-7-12(17-8-18)11(14(19)20)5-10-3-4-13(15)16-6-10/h3-4,6-9,11H,5H2,1-2H3,(H2,15,16)(H,19,20)","FOEIIYROBVUQFU-UHFFFAOYSA-N",null,52]
[981,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50547478","CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccc(NC(=O)c3coc1n3)cc2)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C24H32N6O6/c1-13(2)19-22-27-18(12-36-22)21(32)26-15-8-6-14(7-9-15)11-17(20(31)30-19)29-24(35)28-16(23(33)34)5-3-4-10-25/h6-9,12-13,16-17,19H,3-5,10-11,25H2,1-2H3,(H,26,32)(H,30,31)(H,33,34)(H2,28,29,35)/t16-,17+,19-/m0/s1","YGCAFIQDVRSRNM-SCTDSRPQSA-N",null,52]
[982,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173921","CC(C)[C@H]1COCCCCC2=CC(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)=CC2","InChI=1S/C26H37N5O5/c1-16(2)22-15-36-10-4-3-5-17-6-7-18(11-17)12-20(24(32)29-22)30-26(35)31-21(25(33)34)13-19-8-9-23(27)28-14-19/h7-9,11,14,16,20-22H,3-6,10,12-13,15H2,1-2H3,(H2,27,28)(H,29,32)(H,33,34)(H2,30,31,35)/t20-,21+,22-/m1/s1","BOLKYYSEIHZCKO-BHIFYINESA-N",null,52,{"$nulls":4},7.4,"25.00 C"]
[983,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173932","CC(C)[C@H]1COCCCCOC[C@@H](NC(=O)N[C@H](CCCCN)C(O)=O)C(=O)N1","InChI=1S/C19H36N4O6/c1-13(2)15-11-28-9-5-6-10-29-12-16(17(24)21-15)23-19(27)22-14(18(25)26)7-3-4-8-20/h13-16H,3-12,20H2,1-2H3,(H,21,24)(H,25,26)(H2,22,23,27)/t14-,15-,16-/m1/s1","FQONWTZXYFYCBR-BZUAXINKSA-N",null,53,{"$nulls":4},7.4,"25.00 C"]
[984,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326382","NCCCC1CC1(C(O)=O)c1cn(cn1)-c1cccc2ccccc12","InChI=1S/C20H21N3O2/c21-10-4-7-15-11-20(15,19(24)25)18-12-23(13-22-18)17-9-3-6-14-5-1-2-8-16(14)17/h1-3,5-6,8-9,12-13,15H,4,7,10-11,21H2,(H,24,25)","UDAZMQUJRCWMDT-UHFFFAOYSA-N",null,54]
[985,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM173924","CC(C)[C@H]1COCCCCOC[C@@H](NC(=O)N[C@H](Cc2ccc(N)nc2)C(O)=O)C(=O)N1","InChI=1S/C21H33N5O6/c1-13(2)16-11-31-7-3-4-8-32-12-17(19(27)24-16)26-21(30)25-15(20(28)29)9-14-5-6-18(22)23-10-14/h5-6,10,13,15-17H,3-4,7-9,11-12H2,1-2H3,(H2,22,23)(H,24,27)(H,28,29)(H2,25,26,30)/t15-,16-,17-/m1/s1","YUFHUHQAWMPSLE-BRWVUGGUSA-N",null,55,{"$nulls":4},7.4,"25.00 C"]
[986,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50089743","CC(C)C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC1CC2(C)CCC1C2(C)C","InChI=1S/C23H42N4O4/c1-14(2)12-17(27-21(31)26-16(20(29)30)8-6-7-11-24)19(28)25-18-13-23(5)10-9-15(18)22(23,3)4/h14-18H,6-13,24H2,1-5H3,(H,25,28)(H,29,30)(H2,26,27,31)/t15?,16-,17+,18?,23?/m0/s1","DPOMCPGADCDXDE-PPFFOOAHSA-N",null,57]
[987,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326377","CC(C)(C)OC(=O)N(CCCC1CC1(C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc2ccccc2n1)C(=O)OC(C)(C)C","InChI=1S/C33H44N4O6/c1-30(2,3)41-27(38)33(25-20-36(21-34-25)26-17-16-22-13-10-11-15-24(22)35-26)19-23(33)14-12-18-37(28(39)42-31(4,5)6)29(40)43-32(7,8)9/h10-11,13,15-17,20-21,23H,12,14,18-19H2,1-9H3","YXBMHZSYHQXKBM-UHFFFAOYSA-N",null,58]
[988,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326373","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1nccs1","InChI=1S/C24H34N4O6S/c1-22(2,3)33-20(30)28(21(31)34-23(4,5)6)11-8-9-16-13-24(16,18(29)32-7)17-14-27(15-26-17)19-25-10-12-35-19/h10,12,14-16H,8-9,11,13H2,1-7H3","GIGUTGHDSMNTJU-UHFFFAOYSA-N",null,58]
[989,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173931","CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C24H40N4O7S/c1-17(2)22-16-34-13-5-6-14-35-19-10-8-18(9-11-19)15-21(23(29)26-22)28-36(32,33)27-20(24(30)31)7-3-4-12-25/h8-11,17,20-22,27-28H,3-7,12-16,25H2,1-2H3,(H,26,29)(H,30,31)/t20-,21+,22+/m0/s1","UHDSHGDMNRMYEP-BHDDXSALSA-N",null,59,{"$nulls":4},7.4,"25.00 C"]
[990,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326352","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(F)c(F)c1","InChI=1S/C27H35F2N3O6/c1-25(2,3)37-23(34)32(24(35)38-26(4,5)6)12-8-9-17-14-27(17,22(33)36-7)21-15-31(16-30-21)18-10-11-19(28)20(29)13-18/h10-11,13,15-17H,8-9,12,14H2,1-7H3","UZMGUAFNSMLASL-UHFFFAOYSA-N",null,61]
[991,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM326380","CC(C)(C)OC(=O)NCCCC1CC1(C#N)c1cn(cn1)-c1ccc(Cl)cn1","InChI=1S/C20H24ClN5O2/c1-19(2,3)28-18(27)23-8-4-5-14-9-20(14,12-22)16-11-26(13-25-16)17-7-6-15(21)10-24-17/h6-7,10-11,13-14H,4-5,8-9H2,1-3H3,(H,23,27)","IUDMMFRBQQBMGJ-UHFFFAOYSA-N",null,63]
[992,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008278","NCCC[C@]1(CCn2c(C1)ncc2-c1ccccc1)C(O)=O","InChI=1S/C17H21N3O2/c18-9-4-7-17(16(21)22)8-10-20-14(12-19-15(20)11-17)13-5-2-1-3-6-13/h1-3,5-6,12H,4,7-11,18H2,(H,21,22)/t17-/m1/s1","QUVXXNLGVUXFKY-QGZVFWFLSA-N",null,66]
[993,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135933","Nc1ccc(CC(C(O)=O)c2cnc[nH]2)cn1","InChI=1S/C11H12N4O2/c12-10-2-1-7(4-14-10)3-8(11(16)17)9-5-13-6-15-9/h1-2,4-6,8H,3H2,(H2,12,14)(H,13,15)(H,16,17)","IFHWJTOFROTZBD-UHFFFAOYSA-N",null,67]
[994,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50197549","CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C25H46N4O5S/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26/h17-21,28-29H,4-16,26H2,1-3H3,(H,27,30)(H,31,32)/t18-,19+,20+,21-,25+/m1/s1","IQHARPQKKWCGEY-ZJTKBAOVSA-N",null,69]
[995,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM326354","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1cccc(Cl)c1","InChI=1S/C28H38ClN3O6/c1-8-36-23(33)28(22-17-31(18-30-22)21-13-9-12-20(29)15-21)16-19(28)11-10-14-32(24(34)37-26(2,3)4)25(35)38-27(5,6)7/h9,12-13,15,17-19H,8,10-11,14,16H2,1-7H3","KTLVMHNIYOLAOG-UHFFFAOYSA-N",null,70]
[996,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50197565","CC(=N)NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C)C(O)=O","InChI=1S/C27H49N5O5S/c1-18(28)29-15-9-8-12-21(25(34)35)31-38(36,37)32-22(16-19-10-6-5-7-11-19)24(33)30-23-17-20-13-14-27(23,4)26(20,2)3/h19-23,31-32H,5-17H2,1-4H3,(H2,28,29)(H,30,33)(H,34,35)/t20-,21+,22+,23+,27+/m1/s1","KDZLEJFZLYETPK-BXOWXZKISA-N",null,71]
[997,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173897","NCCCC[C@H](NC(=O)N[C@@H]1Cc2ccc(OCCCCOC[C@@H](NC1=O)c1ccccc1)cc2)C(O)=O","InChI=1S/C28H38N4O6/c29-15-5-4-10-23(27(34)35)31-28(36)32-24-18-20-11-13-22(14-12-20)38-17-7-6-16-37-19-25(30-26(24)33)21-8-2-1-3-9-21/h1-3,8-9,11-14,23-25H,4-7,10,15-19,29H2,(H,30,33)(H,34,35)(H2,31,32,36)/t23-,24+,25+/m0/s1","WBXDQFAEOODUOF-ISJGIBHGSA-N",null,71,{"$nulls":4},7.4,"25.00 C"]
[998,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM326400","Cc1cccc(n1)-n1cnc(c1)C1(CC1CCCN)C(O)=O","InChI=1S/C16H20N4O2/c1-11-4-2-6-14(19-11)20-9-13(18-10-20)16(15(21)22)8-12(16)5-3-7-17/h2,4,6,9-10,12H,3,5,7-8,17H2,1H3,(H,21,22)","PQJZOQPXUZKPLX-UHFFFAOYSA-N",null,73]
[999,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008271","CCCn1cnc2C[C@@](CCCN)(CCc12)C(O)=O","InChI=1S/C14H23N3O2/c1-2-8-17-10-16-11-9-14(13(18)19,5-3-7-15)6-4-12(11)17/h10H,2-9,15H2,1H3,(H,18,19)/t14-/m1/s1","DPDWQELEXVLQSO-CQSZACIVSA-N",null,76]
[1000,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135933","Nc1ccc(CC(C(O)=O)c2cnc[nH]2)cn1","InChI=1S/C11H12N4O2/c12-10-2-1-7(4-14-10)3-8(11(16)17)9-5-13-6-15-9/h1-2,4-6,8H,3H2,(H2,12,14)(H,13,15)(H,16,17)","IFHWJTOFROTZBD-UHFFFAOYSA-N",null,80]
[1001,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008273","NCCC[C@]1(CCc2c(C1)ncn2C1CCCCC1)C(O)=O","InChI=1S/C17H27N3O2/c18-10-4-8-17(16(21)22)9-7-15-14(11-17)19-12-20(15)13-5-2-1-3-6-13/h12-13H,1-11,18H2,(H,21,22)/t17-/m1/s1","HYXCCZTWQBSAJR-QGZVFWFLSA-N",null,80]
[1002,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50197576","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C24H44N4O5S/c1-23(2)17-11-12-24(23,3)20(15-17)26-21(29)19(14-16-8-4-5-9-16)28-34(32,33)27-18(22(30)31)10-6-7-13-25/h16-20,27-28H,4-15,25H2,1-3H3,(H,26,29)(H,30,31)/t17-,18+,19+,20+,24+/m1/s1","XZBPLRVPQOOLLT-LJTNYMJHSA-N",null,81]
[1003,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50575763","NCCCCC1(CN(Cc2ccccc2Br)CCP1(O)=O)C(O)=O","InChI=1S/C16H24BrN2O4P/c17-14-6-2-1-5-13(14)11-19-9-10-24(22,23)16(12-19,15(20)21)7-3-4-8-18/h1-2,5-6H,3-4,7-12,18H2,(H,20,21)(H,22,23)","UTNAZQAXWAOANT-UHFFFAOYSA-N",null,87]
[1004,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50008269","C[C@@H](S)[C@@H](Cc1ccc(N)nc1)C(O)=O","InChI=1S/C10H14N2O2S/c1-6(15)8(10(13)14)4-7-2-3-9(11)12-5-7/h2-3,5-6,8,15H,4H2,1H3,(H2,11,12)(H,13,14)/t6-,8-/m1/s1","GYIYAOUGKJSCCG-HTRCEHHLSA-N",null,87]
[1005,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326338","CCCn1cnc(c1)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC","InChI=1S/C24H39N3O6/c1-9-12-26-15-18(25-16-26)24(19(28)31-8)14-17(24)11-10-13-27(20(29)32-22(2,3)4)21(30)33-23(5,6)7/h15-17H,9-14H2,1-8H3","XHKYYAOMHHKCJP-UHFFFAOYSA-N",null,97]
[1006,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326359","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1cccnc1","InChI=1S/C27H38N4O6/c1-8-35-22(32)27(21-17-30(18-29-21)20-12-9-13-28-16-20)15-19(27)11-10-14-31(23(33)36-25(2,3)4)24(34)37-26(5,6)7/h9,12-13,16-19H,8,10-11,14-15H2,1-7H3","ODVCYHBLCRTKDE-UHFFFAOYSA-N",null,98]
[1007,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM326349","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(\\C=C\\c2ccccc2)cn1","InChI=1S/C29H39N3O6/c1-27(2,3)37-25(34)32(26(35)38-28(4,5)6)16-11-14-22-18-29(22,24(33)36-7)23-19-31(20-30-23)17-15-21-12-9-8-10-13-21/h8-10,12-13,15,17,19-20,22H,11,14,16,18H2,1-7H3/b17-15+","RFSLRCSKCVQREA-BMRADRMJSA-N",null,99]
[1008,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50089757","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCONC(N)=N)C(O)=O","InChI=1S/C25H44N6O5/c1-24(2)16-9-11-25(24,3)14-19(16)28-20(32)18(13-15-7-5-4-6-8-15)30-23(35)29-17(21(33)34)10-12-36-31-22(26)27/h15-19H,4-14H2,1-3H3,(H,28,32)(H,33,34)(H4,26,27,31)(H2,29,30,35)/t16?,17-,18+,19?,25?/m0/s1","IHAGBLBQHAZSFU-STDKCPAXSA-N",null,100]
[1009,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326362","COC(=O)[C@@]1(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(CCC(C)(C)C)cn1","InChI=1S/C27H45N3O6/c1-24(2,3)13-15-29-17-20(28-18-29)27(21(31)34-10)16-19(27)12-11-14-30(22(32)35-25(4,5)6)23(33)36-26(7,8)9/h17-19H,11-16H2,1-10H3/t19-,27+/m0/s1","XFYXHUURPYELSU-UZTOHYMASA-N",null,">100.0"]
[1010,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326402","CCC[C@@H](CN)C[C@@H]1C[C@@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C18H24N4O2/c1-2-5-13(10-19)8-14-9-18(14,17(23)24)15-11-22(12-21-15)16-6-3-4-7-20-16/h3-4,6-7,11-14H,2,5,8-10,19H2,1H3,(H,23,24)/t13-,14-,18+/m1/s1","VWJRFIBJYVHSGS-LBTNJELSSA-N",null,">100.0"]
[1011,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575741","NCCCC[C@]1(CN(Cc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C16H25N2O4P/c17-9-5-4-8-16(15(19)20)13-18(10-11-23(16,21)22)12-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13,17H2,(H,19,20)(H,21,22)/t16-/m0/s1","ZNSVXALGZJWZDW-INIZCTEOSA-N",null,100]
[1012,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109251","C[C@H]1CC[C@@H](CC1)n1cnc(C[C@@H](CCCN)C(O)=O)c1","InChI=1S/C16H27N3O2/c1-12-4-6-15(7-5-12)19-10-14(18-11-19)9-13(16(20)21)3-2-8-17/h10-13,15H,2-9,17H2,1H3,(H,20,21)/t12-,13-,15-/m1/s1","AEHFUSPLVGWEEP-UMVBOHGHSA-N",null,">1.0e+2"]
[1013,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM109259","C[C@@H](CN)C[C@H](Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O","InChI=1S/C17H29N3O2/c1-12-3-5-16(6-4-12)20-10-15(19-11-20)8-14(17(21)22)7-13(2)9-18/h10-14,16H,3-9,18H2,1-2H3,(H,21,22)/t12-,13-,14-,16-/m1/s1","OMGSNJPCQBNRPB-IXYNUQLISA-N",null,">1.0e+2"]
[1014,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50008272","CC(C)CCn1cnc2C[C@@](CCCN)(CCc12)C(O)=O","InChI=1S/C16H27N3O2.ClH/c1-12(2)5-9-19-11-18-13-10-16(15(20)21,6-3-8-17)7-4-14(13)19;/h11-12H,3-10,17H2,1-2H3,(H,20,21);1H/t16-;/m1./s1","ZKDOGGVTIBLFAB-PKLMIRHRSA-N",null,100]
[1015,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM326372","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1cccs1","InChI=1S/C25H35N3O6S/c1-23(2,3)33-21(30)28(22(31)34-24(4,5)6)12-8-10-17-14-25(17,20(29)32-7)18-15-27(16-26-18)19-11-9-13-35-19/h9,11,13,15-17H,8,10,12,14H2,1-7H3","YUTZPEWUFUNCCP-UHFFFAOYSA-N",null,100]
[1016,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144316","Cc1cc(CC(C(O)=O)c2cnc[nH]2)cnc1N","InChI=1S/C12H14N4O2/c1-7-2-8(4-15-11(7)13)3-9(12(17)18)10-5-14-6-16-10/h2,4-6,9H,3H2,1H3,(H2,13,15)(H,14,16)(H,17,18)","XKXDTPUXXDHNME-UHFFFAOYSA-N",null,100]
[1017,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50144325","CCn1cnc(c1)C(C[C@H]1CC[C@H](N)C1)C(O)=O","InChI=1S/C13H21N3O2/c1-2-16-7-12(15-8-16)11(13(17)18)6-9-3-4-10(14)5-9/h7-11H,2-6,14H2,1H3,(H,17,18)/t9-,10-,11?/m0/s1","VMERNPBLGUMYOA-QRHSGQBVSA-N",null,100]
[1018,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575757","NCCCCC1(CN(Cc2ccc(O)cc2)CCP1(O)=O)C(O)=O","InChI=1S/C16H25N2O5P/c17-8-2-1-7-16(15(20)21)12-18(9-10-24(16,22)23)11-13-3-5-14(19)6-4-13/h3-6,19H,1-2,7-12,17H2,(H,20,21)(H,22,23)","RPSUUUMUOBONAG-UHFFFAOYSA-N",null,101]
[1019,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM173898","NCCCC[C@H](NC(=O)N[C@@H]1Cc2ccc(OCCCCOC[C@H](Cc3ccccc3)NC1=O)cc2)C(O)=O","InChI=1S/C29H40N4O6/c30-15-5-4-10-25(28(35)36)32-29(37)33-26-19-22-11-13-24(14-12-22)39-17-7-6-16-38-20-23(31-27(26)34)18-21-8-2-1-3-9-21/h1-3,8-9,11-14,23,25-26H,4-7,10,15-20,30H2,(H,31,34)(H,35,36)(H2,32,33,37)/t23-,25-,26+/m0/s1","ULIRNVGVKBVODJ-AYRHNUGRSA-N",null,105,{"$nulls":4},7.4,"25.00 C"]
[1020,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008274","NCCC[C@]1(CCc2c(C1)ncn2Cc1cccc(c1)-c1ccccc1)C(O)=O","InChI=1S/C24H27N3O2/c25-13-5-11-24(23(28)29)12-10-22-21(15-24)26-17-27(22)16-18-6-4-9-20(14-18)19-7-2-1-3-8-19/h1-4,6-9,14,17H,5,10-13,15-16,25H2,(H,28,29)/t24-/m1/s1","XFDUWSDSIRIRFB-XMMPIXPASA-N",null,106]
[1021,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089740","C[C@H](NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O)c1ccc(Cl)cc1","InChI=1S/C24H37ClN4O4/c1-16(18-10-12-19(25)13-11-18)27-22(30)21(15-17-7-3-2-4-8-17)29-24(33)28-20(23(31)32)9-5-6-14-26/h10-13,16-17,20-21H,2-9,14-15,26H2,1H3,(H,27,30)(H,31,32)(H2,28,29,33)/t16-,20-,21+/m0/s1","XPYKQDYZHBTVDV-ORYQWCPZSA-N",null,110]
[1022,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089753","N[C@H]1C[C@H](CC(NC(=O)N[C@H](CC2CCCCC2)C(=O)NC2CC3CCC2C3)C(O)=O)C1","InChI=1S/C24H40N4O4/c25-18-9-16(10-18)13-21(23(30)31)28-24(32)27-20(11-14-4-2-1-3-5-14)22(29)26-19-12-15-6-7-17(19)8-15/h14-21H,1-13,25H2,(H,26,29)(H,30,31)(H2,27,28,32)/t15?,16-,17?,18-,19?,20-,21?/m1/s1","NLBFGJCTTDZYBN-NCZDBTGRSA-N",null,110]
[1023,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008273","NCCC[C@]1(CCc2c(C1)ncn2C1CCCCC1)C(O)=O","InChI=1S/C17H27N3O2/c18-10-4-8-17(16(21)22)9-7-15-14(11-17)19-12-20(15)13-5-2-1-3-6-13/h12-13H,1-11,18H2,(H,21,22)/t17-/m1/s1","HYXCCZTWQBSAJR-QGZVFWFLSA-N",null,117]
[1024,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089737","NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NCC(c1ccccc1)c1ccccc1)C(O)=O","InChI=1S/C30H42N4O4/c31-19-11-10-18-26(29(36)37)33-30(38)34-27(20-22-12-4-1-5-13-22)28(35)32-21-25(23-14-6-2-7-15-23)24-16-8-3-9-17-24/h2-3,6-9,14-17,22,25-27H,1,4-5,10-13,18-21,31H2,(H,32,35)(H,36,37)(H2,33,34,38)/t26-,27+/m0/s1","MAADCGOFVALXMT-RRPNLBNLSA-N",null,120]
[1025,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197526","Cl.CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C25H46N4O5S.ClH/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26;/h17-21,28-29H,4-16,26H2,1-3H3,(H,27,30)(H,31,32);1H/t18-,19+,20+,21+,25+;/m1./s1","SXAUCWSUBICAAS-LZZNFXAASA-N",null,123]
[1026,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50008275","NCCCC1(CCc2c(C1)ncn2CCC1CCC(CC1)C1CCCCC1)C(O)=O","InChI=1S/C25H41N3O2/c26-15-4-13-25(24(29)30)14-11-23-22(17-25)27-18-28(23)16-12-19-7-9-21(10-8-19)20-5-2-1-3-6-20/h18-21H,1-17,26H2,(H,29,30)","KUVAYHVUNQWSPM-UHFFFAOYSA-N",null,124]
[1027,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50575761","NCCCCC1(CN(Cc2ccc(F)cc2)CCP1(O)=O)C(O)=O","InChI=1S/C16H24FN2O4P/c17-14-5-3-13(4-6-14)11-19-9-10-24(22,23)16(12-19,15(20)21)7-1-2-8-18/h3-6H,1-2,7-12,18H2,(H,20,21)(H,22,23)","BPGDVCHLKUNYCG-UHFFFAOYSA-N",null,127]
[1028,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201437","OC(=O)C(CS)CC1CCCNC1","InChI=1S/C9H17NO2S/c11-9(12)8(6-13)4-7-2-1-3-10-5-7/h7-8,10,13H,1-6H2,(H,11,12)","XILWRBHKVRYWMD-UHFFFAOYSA-N",null,129]
[1029,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089700","C[C@H](NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O)C1CCCCC1","InChI=1S/C24H44N4O4/c1-17(19-12-6-3-7-13-19)26-22(29)21(16-18-10-4-2-5-11-18)28-24(32)27-20(23(30)31)14-8-9-15-25/h17-21H,2-16,25H2,1H3,(H,26,29)(H,30,31)(H2,27,28,32)/t17-,20-,21+/m0/s1","AFPITHMSIWIQKS-DZFGPLHGSA-N",null,130]
[1030,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197578","C[C@H]1[C@@H]2C[C@H](C[C@@H]1NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C2(C)C","InChI=1S/C25H46N4O5S/c1-16-19-14-18(25(19,2)3)15-21(16)27-23(30)22(13-17-9-5-4-6-10-17)29-35(33,34)28-20(24(31)32)11-7-8-12-26/h16-22,28-29H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)/t16-,18+,19-,20-,21-,22-/m0/s1","CVNHXUCHQVVMEP-QOLIXYQJSA-N",null,130]
[1031,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50201435","OC(=O)C(CS)CC1CCNCC1","InChI=1S/C9H17NO2S/c11-9(12)8(6-13)5-7-1-3-10-4-2-7/h7-8,10,13H,1-6H2,(H,11,12)","ZYVSJXROQJSTDA-UHFFFAOYSA-N",null,139]
[1032,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326355","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccccc1Cl","InChI=1S/C28H38ClN3O6/c1-8-36-23(33)28(22-17-31(18-30-22)21-14-10-9-13-20(21)29)16-19(28)12-11-15-32(24(34)37-26(2,3)4)25(35)38-27(5,6)7/h9-10,13-14,17-19H,8,11-12,15-16H2,1-7H3","DJUGKLDQGDPBHX-UHFFFAOYSA-N",null,140]
[1033,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326348","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(cc1)C(F)(F)F","InChI=1S/C28H36F3N3O6/c1-25(2,3)39-23(36)34(24(37)40-26(4,5)6)14-8-9-19-15-27(19,22(35)38-7)21-16-33(17-32-21)20-12-10-18(11-13-20)28(29,30)31/h10-13,16-17,19H,8-9,14-15H2,1-7H3","LNIIFDBADSSEJA-UHFFFAOYSA-N",null,140]
[1034,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50575760","NCCCCC1(CN(Cc2ccccc2Cl)CCP1(O)=O)C(O)=O","InChI=1S/C16H24ClN2O4P/c17-14-6-2-1-5-13(14)11-19-9-10-24(22,23)16(12-19,15(20)21)7-3-4-8-18/h1-2,5-6H,3-4,7-12,18H2,(H,20,21)(H,22,23)","MDZLUBDITWWUHN-UHFFFAOYSA-N",null,161]
[1035,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201429","NC(=N)N1CCCC(C1)C(CS)C(O)=O","InChI=1S/C9H17N3O2S/c10-9(11)12-3-1-2-6(4-12)7(5-15)8(13)14/h6-7,15H,1-5H2,(H3,10,11)(H,13,14)","HNBJSRXHGCYXNR-UHFFFAOYSA-N",null,165]
[1036,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197556","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C25H40N4O5S/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26/h4-6,9-10,18-21,28-29H,7-8,11-16,26H2,1-3H3,(H,27,30)(H,31,32)/t18-,19+,20+,21+,25+/m1/s1","CQFRJAFNJDXKLZ-PHGOAHNDSA-N",null,170]
[1037,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197557","NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CC2CC1C1CCCC21)C(O)=O","InChI=1S/C25H44N4O5S/c26-12-5-4-11-21(25(31)32)28-35(33,34)29-23(13-16-7-2-1-3-8-16)24(30)27-22-15-17-14-20(22)19-10-6-9-18(17)19/h16-23,28-29H,1-15,26H2,(H,27,30)(H,31,32)/t17?,18?,19?,20?,21-,22?,23-/m0/s1","SLROOTQKYKGVCV-SWISWOKGSA-N",null,170]
[1038,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50089694","NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NC1CCCCC1)C(O)=O","InChI=1S/C22H40N4O4/c23-14-8-7-13-18(21(28)29)25-22(30)26-19(15-16-9-3-1-4-10-16)20(27)24-17-11-5-2-6-12-17/h16-19H,1-15,23H2,(H,24,27)(H,28,29)(H2,25,26,30)/t18-,19+/m0/s1","CMEXWCUZEGJTGX-RBUKOAKNSA-N",null,170]
[1039,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326358","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccncc1","InChI=1S/C27H38N4O6/c1-8-35-22(32)27(21-17-30(18-29-21)20-11-13-28-14-12-20)16-19(27)10-9-15-31(23(33)36-25(2,3)4)24(34)37-26(5,6)7/h11-14,17-19H,8-10,15-16H2,1-7H3","SCXGYZUIGNKQEJ-UHFFFAOYSA-N",null,170]
[1040,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50575758","NCCCCC1(CN(Cc2ccc(Cl)cc2)CCP1(O)=O)C(O)=O","InChI=1S/C16H24ClN2O4P/c17-14-5-3-13(4-6-14)11-19-9-10-24(22,23)16(12-19,15(20)21)7-1-2-8-18/h3-6H,1-2,7-12,18H2,(H,20,21)(H,22,23)","VPMVFZPVAJMUAF-UHFFFAOYSA-N",null,183]
[1041,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50089695","CCC(C)C(C)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C22H42N4O4/c1-4-15(2)16(3)24-20(27)19(14-17-10-6-5-7-11-17)26-22(30)25-18(21(28)29)12-8-9-13-23/h15-19H,4-14,23H2,1-3H3,(H,24,27)(H,28,29)(H2,25,26,30)/t15?,16?,18-,19+/m0/s1","QESTYHACMRZORU-YVZJPGBNSA-N",null,190]
[1042,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50575755","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccsc2)CCP1(O)=O)C(O)=O","InChI=1S/C14H23N2O4PS.C2HF3O2/c15-5-2-1-4-14(13(17)18)11-16(6-7-21(14,19)20)9-12-3-8-22-10-12;3-2(4,5)1(6)7/h3,8,10H,1-2,4-7,9,11,15H2,(H,17,18)(H,19,20);(H,6,7)","NUTGTRXBOUVQLS-UHFFFAOYSA-N",null,200]
[1043,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50197543","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1cccnc1)C(O)=O","InChI=1S/C27H42N4O5S/c1-26(2)20-11-12-27(26,3)23(16-20)29-24(32)21(14-18-8-5-4-6-9-18)30-37(35,36)31-22(25(33)34)15-19-10-7-13-28-17-19/h7,10,13,17-18,20-23,30-31H,4-6,8-9,11-12,14-16H2,1-3H3,(H,29,32)(H,33,34)/t20-,21+,22+,23+,27+/m1/s1","XYTYVEVWWTZSIW-BXOWXZKISA-N",null,200]
[1044,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575740","OC(=O)C(F)(F)F.NCCCCCC1(CN(Cc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C17H27N2O4P.C2HF3O2/c18-10-6-2-5-9-17(16(20)21)14-19(11-12-24(17,22)23)13-15-7-3-1-4-8-15;3-2(4,5)1(6)7/h1,3-4,7-8H,2,5-6,9-14,18H2,(H,20,21)(H,22,23);(H,6,7)","JBPSAJWTCSGNMX-UHFFFAOYSA-N",null,200]
[1045,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50575739","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C16H25N2O4P.C2HF3O2/c17-9-5-4-8-16(15(19)20)13-18(10-11-23(16,21)22)12-14-6-2-1-3-7-14;3-2(4,5)1(6)7/h1-3,6-7H,4-5,8-13,17H2,(H,19,20)(H,21,22);(H,6,7)","UXRVDUNGIGAHRC-UHFFFAOYSA-N",null,200]
[1046,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197536","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CCC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C26H48N4O5S/c1-25(2)19-14-15-26(25,3)22(17-19)28-23(31)20(13-12-18-9-5-4-6-10-18)29-36(34,35)30-21(24(32)33)11-7-8-16-27/h18-22,29-30H,4-17,27H2,1-3H3,(H,28,31)(H,32,33)/t19-,20+,21+,22+,26+/m1/s1","XLOARNQKSYTPBM-RZFRIWOHSA-N",null,220]
[1047,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197555","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C22H40N4O5S/c1-21(2)15-9-10-22(21,3)18(13-15)24-19(27)17(12-14-7-8-14)26-32(30,31)25-16(20(28)29)6-4-5-11-23/h14-18,25-26H,4-13,23H2,1-3H3,(H,24,27)(H,28,29)/t15-,16+,17+,18+,22+/m1/s1","NMXBBBBKSIKPCR-JVOBEXOSSA-N",null,230]
[1048,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50089778","CC12CCC(C(C1)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@H](Cc1ccc(N)nc1)C(O)=O)C2(C)C","InChI=1S/C28H43N5O4/c1-27(2)19-11-12-28(27,3)15-22(19)31-24(34)20(13-17-7-5-4-6-8-17)32-26(37)33-21(25(35)36)14-18-9-10-23(29)30-16-18/h9-10,16-17,19-22H,4-8,11-15H2,1-3H3,(H2,29,30)(H,31,34)(H,35,36)(H2,32,33,37)/t19?,20-,21-,22?,28?/m1/s1","IHZPIKIYQNIWSX-BYSUOTFYSA-N",null,250]
[1049,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM173894","CC1(C)COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C24H38N4O6/c1-24(2)16-33-13-5-6-14-34-18-10-8-17(9-11-18)15-20(21(29)28-24)27-23(32)26-19(22(30)31)7-3-4-12-25/h8-11,19-20H,3-7,12-16,25H2,1-2H3,(H,28,29)(H,30,31)(H2,26,27,32)/t19-,20+/m0/s1","FBMIZNMJBGCCDP-VQTJNVASSA-N",null,269,{"$nulls":4},7.4,"25.00 C"]
[1050,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50144322","CC(CN)CCC(C(O)=O)c1cnc[nH]1","InChI=1S/C10H17N3O2/c1-7(4-11)2-3-8(10(14)15)9-5-12-6-13-9/h5-8H,2-4,11H2,1H3,(H,12,13)(H,14,15)","GNCKWAGRDBWVQA-UHFFFAOYSA-N",null,270]
[1051,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326387","CC(C)(CN)CC1CC1(C(O)=O)c1cn(cn1)-c1ccccc1","InChI=1S/C18H23N3O2/c1-17(2,11-19)8-13-9-18(13,16(22)23)15-10-21(12-20-15)14-6-4-3-5-7-14/h3-7,10,12-13H,8-9,11,19H2,1-2H3,(H,22,23)","WWNSWPHSWQCJIZ-UHFFFAOYSA-N",null,">300"]
[1052,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM326344","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccccc1C","InChI=1S/C28H39N3O6/c1-19-12-9-10-14-21(19)30-17-22(29-18-30)28(23(32)35-8)16-20(28)13-11-15-31(24(33)36-26(2,3)4)25(34)37-27(5,6)7/h9-10,12,14,17-18,20H,11,13,15-16H2,1-8H3","YRWIXHBNWHSNHU-UHFFFAOYSA-N",null,">300"]
[1053,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50197533","NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)C(O)=O","InChI=1S/C22H40N4O5S/c23-11-5-4-8-18(22(28)29)25-32(30,31)26-20(13-15-6-2-1-3-7-15)21(27)24-19-14-16-9-10-17(19)12-16/h15-20,25-26H,1-14,23H2,(H,24,27)(H,28,29)/t16-,17-,18-,19+,20-/m0/s1","PZCYVEWXVUJWOV-FSGKZVOOSA-N",null,330]
[1054,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM326370","CCOC(=O)C1(CC1CCCNC(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(Br)cn1","InChI=1S/C22H29BrN4O4/c1-5-30-19(28)22(11-15(22)7-6-10-24-20(29)31-21(2,3)4)17-13-27(14-26-17)18-9-8-16(23)12-25-18/h8-9,12-15H,5-7,10-11H2,1-4H3,(H,24,29)","COHIAVKBVGMITP-UHFFFAOYSA-N",null,340]
[1055,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50197575","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C23H42N4O5S/c1-22(2)16-10-11-23(22,3)19(14-16)25-20(28)18(13-15-7-6-8-15)27-33(31,32)26-17(21(29)30)9-4-5-12-24/h15-19,26-27H,4-14,24H2,1-3H3,(H,25,28)(H,29,30)/t16-,17+,18+,19+,23+/m1/s1","XCBZCAGPFKZFDD-KYGACCNGSA-N",null,360]
[1056,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM326396","CC[C@@H](CN)C[C@@H]1C[C@@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C17H22N4O2/c1-2-12(9-18)7-13-8-17(13,16(22)23)14-10-21(11-20-14)15-5-3-4-6-19-15/h3-6,10-13H,2,7-9,18H2,1H3,(H,22,23)/t12-,13-,17+/m1/s1","BEUXTDNZDSFKGE-XNJGSVPQSA-N",null,360]
[1057,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144320","CC(C)(CN)CCC(C(O)=O)c1cnc[nH]1","InChI=1S/C11H19N3O2/c1-11(2,6-12)4-3-8(10(15)16)9-5-13-7-14-9/h5,7-8H,3-4,6,12H2,1-2H3,(H,13,14)(H,15,16)","HNCZMIXMYAMRQL-UHFFFAOYSA-N",null,380]
[1058,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089699","CC(C)[C@@H](C)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C21H40N4O4/c1-14(2)15(3)23-19(26)18(13-16-9-5-4-6-10-16)25-21(29)24-17(20(27)28)11-7-8-12-22/h14-18H,4-13,22H2,1-3H3,(H,23,26)(H,27,28)(H2,24,25,29)/t15-,17+,18-/m1/s1","PGKTWPKLTNYPMW-BPQIPLTHSA-N",null,390]
[1059,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089689","CC[C@@H](C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O","InChI=1S/C45H59N7O10/c1-5-27(2)38-42(58)47-35(23-18-29-14-19-32(53)20-15-29)43(59)52(4)28(3)39(55)48-36(25-30-11-7-6-8-12-30)40(56)46-24-10-9-13-34(41(57)51-38)49-45(62)50-37(44(60)61)26-31-16-21-33(54)22-17-31/h6-8,11-12,14-17,19-22,27-28,34-38,53-54H,5,9-10,13,18,23-26H2,1-4H3,(H,46,56)(H,47,58)(H,48,55)(H,51,57)(H,60,61)(H2,49,50,62)/t27-,28+,34-,35+,36+,37+,38+/m1/s1","KCAKUFQSCADGHZ-JNFDXLRCSA-N",null,400]
[1060,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197559","CC(C)C12CC3CC(CC(C3)(C1)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C2","InChI=1S/C28H50N4O5S/c1-19(2)27-14-21-12-22(15-27)17-28(16-21,18-27)30-25(33)24(13-20-8-4-3-5-9-20)32-38(36,37)31-23(26(34)35)10-6-7-11-29/h19-24,31-32H,3-18,29H2,1-2H3,(H,30,33)(H,34,35)/t21?,22?,23-,24-,27?,28?/m0/s1","ZVCJHTCCYIGTGU-IBLNZPRFSA-N",null,400]
[1061,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008269","C[C@@H](S)[C@@H](Cc1ccc(N)nc1)C(O)=O","InChI=1S/C10H14N2O2S/c1-6(15)8(10(13)14)4-7-2-3-9(11)12-5-7/h2-3,5-6,8,15H,4H2,1H3,(H2,11,12)(H,13,14)/t6-,8-/m1/s1","GYIYAOUGKJSCCG-HTRCEHHLSA-N",null,400]
[1062,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50197570","NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2)C(O)=O","InChI=1S/C22H40N4O5S/c23-11-5-4-8-18(22(28)29)25-32(30,31)26-20(13-15-6-2-1-3-7-15)21(27)24-19-14-16-9-10-17(19)12-16/h15-20,25-26H,1-14,23H2,(H,24,27)(H,28,29)/t16-,17-,18-,19-,20-/m0/s1","PZCYVEWXVUJWOV-HVTWWXFQSA-N",null,420]
[1063,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM326337","CC(C)(C)CCn1cnc(c1)[C@]1(C[C@H]1CCCN)C(O)=O","InChI=1S/C16H27N3O2/c1-15(2,3)6-8-19-10-13(18-11-19)16(14(20)21)9-12(16)5-4-7-17/h10-12H,4-9,17H2,1-3H3,(H,20,21)/t12-,16-/m1/s1","OATNNVUVQQXLHN-MLGOLLRUSA-N",null,420]
[1064,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201434","OC(=O)C(CS)C1CCCNC1","InChI=1S/C8H15NO2S/c10-8(11)7(5-12)6-2-1-3-9-4-6/h6-7,9,12H,1-5H2,(H,10,11)","ZEKJYPSRDZCIDP-UHFFFAOYSA-N",null,445]
[1065,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226610","CCCn1cnc(C[C@H](CCCN)C(O)=O)c1","InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s1","OTDGPKRCQXSTPV-JTQLQIEISA-N",null,450]
[1066,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089744","CC(C)[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC1CC2(C)CCC1C2(C)C","InChI=1S/C22H40N4O4/c1-13(2)17(26-20(30)25-15(19(28)29)8-6-7-11-23)18(27)24-16-12-22(5)10-9-14(16)21(22,3)4/h13-17H,6-12,23H2,1-5H3,(H,24,27)(H,28,29)(H2,25,26,30)/t14?,15-,16?,17+,22?/m0/s1","VRXVYEBSAQCPLH-CTUUPLLYSA-N",null,460]
[1067,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50197540","NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O","InChI=1S/C25H44N4O5S/c26-9-5-4-8-21(24(31)32)28-35(33,34)29-22(13-17-6-2-1-3-7-17)23(30)27-25-14-18-10-19(15-25)12-20(11-18)16-25/h17-22,28-29H,1-16,26H2,(H,27,30)(H,31,32)/t18?,19?,20?,21-,22-,25?/m0/s1","ABGAZACYUFFMDV-LYSMGBOCSA-N",null,490]
[1068,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326392","C[C@H](CN)C[C@@H]1C[C@@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C16H20N4O2/c1-11(8-17)6-12-7-16(12,15(21)22)13-9-20(10-19-13)14-4-2-3-5-18-14/h2-5,9-12H,6-8,17H2,1H3,(H,21,22)/t11-,12+,16-/m0/s1","FKDQZBMTXAMQNM-OZVIIMIRSA-N",null,490]
[1069,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575743","NCCCCC1(CC(Cc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C17H26NO4P/c18-10-5-4-9-17(16(19)20)13-15(8-11-23(17,21)22)12-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13,18H2,(H,19,20)(H,21,22)","OWYIPXCIDKTXAY-UHFFFAOYSA-N",null,500]
[1070,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575752","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccccn2)CCP1(O)=O)C(O)=O","InChI=1S/C15H24N3O4P.C2HF3O2/c16-7-3-2-6-15(14(19)20)12-18(9-10-23(15,21)22)11-13-5-1-4-8-17-13;3-2(4,5)1(6)7/h1,4-5,8H,2-3,6-7,9-12,16H2,(H,19,20)(H,21,22);(H,6,7)","RLTFNRHVYOETOJ-UHFFFAOYSA-N",null,500]
[1071,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326394","C[C@@H](CN)C[C@@H]1C[C@@]1(C(O)=O)c1cn(cn1)-c1ccc(C)cn1","InChI=1S/C17H22N4O2/c1-11-3-4-15(19-8-11)21-9-14(20-10-21)17(16(22)23)6-13(17)5-12(2)7-18/h3-4,8-10,12-13H,5-7,18H2,1-2H3,(H,22,23)/t12-,13-,17+/m1/s1","AAEAYCWJPQORII-XNJGSVPQSA-N",null,500]
[1072,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50575762","NCCCCC1(CN(Cc2ccccc2F)CCP1(O)=O)C(O)=O","InChI=1S/C16H24FN2O4P/c17-14-6-2-1-5-13(14)11-19-9-10-24(22,23)16(12-19,15(20)21)7-3-4-8-18/h1-2,5-6H,3-4,7-12,18H2,(H,20,21)(H,22,23)","JYJPJVPEHYANHW-UHFFFAOYSA-N",null,515]
[1073,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089781","CC12CCC(C(C1)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](Cc1ccc(N)nc1)C(N)=O)C2(C)C","InChI=1S/C28H44N6O3/c1-27(2)19-11-12-28(27,3)15-22(19)32-25(36)21(13-17-7-5-4-6-8-17)34-26(37)33-20(24(30)35)14-18-9-10-23(29)31-16-18/h9-10,16-17,19-22H,4-8,11-15H2,1-3H3,(H2,29,31)(H2,30,35)(H,32,36)(H2,33,34,37)/t19?,20-,21+,22?,28?/m0/s1","ZFFKLIGSDMVSKR-ZSKJDULESA-N",null,570]
[1074,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008276","NCCCC1(CCc2c(C1)ncn2-c1ccccc1)C(O)=O","InChI=1S/C17H21N3O2/c18-10-4-8-17(16(21)22)9-7-15-14(11-17)19-12-20(15)13-5-2-1-3-6-13/h1-3,5-6,12H,4,7-11,18H2,(H,21,22)","GBGNYJCWTUIJPT-UHFFFAOYSA-N",null,585]
[1075,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144334","NCCCCC(C(O)=O)c1cnc[nH]1","InChI=1S/C9H15N3O2/c10-4-2-1-3-7(9(13)14)8-5-11-6-12-8/h5-7H,1-4,10H2,(H,11,12)(H,13,14)","ATNHCKIPIWIEGH-UHFFFAOYSA-N",null,590]
[1076,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50008270","CCCn1cnc(CC(NCCN)C(O)=O)c1","InChI=1S/C11H20N4O2/c1-2-5-15-7-9(14-8-15)6-10(11(16)17)13-4-3-12/h7-8,10,13H,2-6,12H2,1H3,(H,16,17)","UVTMXVBQOPVNHA-UHFFFAOYSA-N",null,620]
[1077,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM173911","CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CS(=O)(=O)CCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C24H38N4O8S/c1-16(2)20-14-35-10-3-4-11-36-18-7-5-17(6-8-18)13-19(22(29)26-20)27-24(32)28-21(23(30)31)15-37(33,34)12-9-25/h5-8,16,19-21H,3-4,9-15,25H2,1-2H3,(H,26,29)(H,30,31)(H2,27,28,32)/t19-,20-,21+/m1/s1","OIDOVTVIWNAVJY-NJYVYQBISA-N",null,649,{"$nulls":4},7.4,"25.00 C"]
[1078,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197550","NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CCC2CCCCC2C1)C(O)=O","InChI=1S/C25H46N4O5S/c26-15-7-6-12-22(25(31)32)28-35(33,34)29-23(16-18-8-2-1-3-9-18)24(30)27-21-14-13-19-10-4-5-11-20(19)17-21/h18-23,28-29H,1-17,26H2,(H,27,30)(H,31,32)/t19?,20?,21?,22-,23-/m0/s1","ACZMKSFVIZOHQL-WBLOSPSNSA-N",null,670]
[1079,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50089697","CC(C)(C)CNC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C21H40N4O4/c1-21(2,3)14-23-18(26)17(13-15-9-5-4-6-10-15)25-20(29)24-16(19(27)28)11-7-8-12-22/h15-17H,4-14,22H2,1-3H3,(H,23,26)(H,27,28)(H2,24,25,29)/t16-,17+/m0/s1","XWDGSLJVTQYSEC-DLBZAZTESA-N",null,690]
[1080,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50575759","NCCCCC1(CN(Cc2cccc(Cl)c2)CCP1(O)=O)C(O)=O","InChI=1S/C16H24ClN2O4P/c17-14-5-3-4-13(10-14)11-19-8-9-24(22,23)16(12-19,15(20)21)6-1-2-7-18/h3-5,10H,1-2,6-9,11-12,18H2,(H,20,21)(H,22,23)","CYMKCJYHJMQMBX-UHFFFAOYSA-N",null,750]
[1081,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089780","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(N)=O","InChI=1S/C26H47N5O3/c1-25(2)18-12-13-26(25,3)16-21(18)29-23(33)20(15-17-9-5-4-6-10-17)31-24(34)30-19(22(28)32)11-7-8-14-27/h17-21H,4-16,27H2,1-3H3,(H2,28,32)(H,29,33)(H2,30,31,34)/t18?,19-,20+,21?,26?/m0/s1","ASRHEUPBKKUJIH-HPIYHLJDSA-N",null,750]
[1082,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50201431","Nc1cccc(c1)C(CS)C(O)=O","InChI=1S/C9H11NO2S/c10-7-3-1-2-6(4-7)8(5-13)9(11)12/h1-4,8,13H,5,10H2,(H,11,12)","WOYCAJIRNXWVLG-UHFFFAOYSA-N",null,785]
[1083,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM173899","NCCCC[C@H](NC(=O)N[C@@H]1Cc2ccc(OCCCCOC[C@@H](NC1=O)C1CCCCC1)cc2)C(O)=O","InChI=1S/C28H44N4O6/c29-15-5-4-10-23(27(34)35)31-28(36)32-24-18-20-11-13-22(14-12-20)38-17-7-6-16-37-19-25(30-26(24)33)21-8-2-1-3-9-21/h11-14,21,23-25H,1-10,15-19,29H2,(H,30,33)(H,34,35)(H2,31,32,36)/t23-,24+,25+/m0/s1","GGWRPAFPNBTEKN-ISJGIBHGSA-N",null,811,{"$nulls":4},7.4,"25.00 C"]
[1084,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089696","CC(C)CNC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C20H38N4O4/c1-14(2)13-22-18(25)17(12-15-8-4-3-5-9-15)24-20(28)23-16(19(26)27)10-6-7-11-21/h14-17H,3-13,21H2,1-2H3,(H,22,25)(H,26,27)(H2,23,24,28)/t16-,17+/m0/s1","RUWUSBDCRNJOMS-DLBZAZTESA-N",null,850]
[1085,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197572","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CC1CCNCC1)C(O)=O","InChI=1S/C27H48N4O5S/c1-26(2)20-9-12-27(26,3)23(17-20)29-24(32)21(15-18-7-5-4-6-8-18)30-37(35,36)31-22(25(33)34)16-19-10-13-28-14-11-19/h18-23,28,30-31H,4-17H2,1-3H3,(H,29,32)(H,33,34)/t20-,21+,22+,23+,27+/m1/s1","LTLYKPLPFHCOED-BXOWXZKISA-N",null,880]
[1086,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089738","COc1ccc(CNC(=O)[C@@H](CC2CCCCC2)NC(=O)N[C@@H](CCCCN)C(O)=O)cc1","InChI=1S/C24H38N4O5/c1-33-19-12-10-18(11-13-19)16-26-22(29)21(15-17-7-3-2-4-8-17)28-24(32)27-20(23(30)31)9-5-6-14-25/h10-13,17,20-21H,2-9,14-16,25H2,1H3,(H,26,29)(H,30,31)(H2,27,28,32)/t20-,21+/m0/s1","VEDZNKIGSSHCLR-LEWJYISDSA-N",null,900]
[1087,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50201430","NC(=N)c1ccc(cc1)C(CS)C(O)=O","InChI=1S/C10H12N2O2S/c11-9(12)7-3-1-6(2-4-7)8(5-15)10(13)14/h1-4,8,15H,5H2,(H3,11,12)(H,13,14)","RIFDSZLUNQNXHW-UHFFFAOYSA-N",null,905]
[1088,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM326369","COC(=O)C1(CC1CC(C)CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(cc1)S(C)(=O)=O","InChI=1S/C29H41N3O8S/c1-19(16-32(25(34)39-27(2,3)4)26(35)40-28(5,6)7)14-20-15-29(20,24(33)38-8)23-17-31(18-30-23)21-10-12-22(13-11-21)41(9,36)37/h10-13,17-20H,14-16H2,1-9H3","GENODDLVKDNANN-UHFFFAOYSA-N",null,930]
[1089,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008271","CCCn1cnc2C[C@@](CCCN)(CCc12)C(O)=O","InChI=1S/C14H23N3O2/c1-2-8-17-10-16-11-9-14(13(18)19,5-3-7-15)6-4-12(11)17/h10H,2-9,15H2,1H3,(H,18,19)/t14-/m1/s1","DPDWQELEXVLQSO-CQSZACIVSA-N",null,1000]
[1090,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089745","CC1(C)C2CCC1(C)CC2NC(=O)[C@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C1CCCCC1","InChI=1S/C25H44N4O4/c1-24(2)17-12-13-25(24,3)15-19(17)27-21(30)20(16-9-5-4-6-10-16)29-23(33)28-18(22(31)32)11-7-8-14-26/h16-20H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)(H2,28,29,33)/t17?,18-,19?,20+,25?/m0/s1","JGZDQIFIFHMKDO-QMXHKPFUSA-N",null,1000]
[1091,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50201433","NC(=N)N1CCC(CC1)C(CS)C(O)=O","InChI=1S/C9H17N3O2S/c10-9(11)12-3-1-6(2-4-12)7(5-15)8(13)14/h6-7,15H,1-5H2,(H3,10,11)(H,13,14)","NDKUATGVOUGBIH-UHFFFAOYSA-N",null,1070]
[1092,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50575754","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccoc2)CCP1(O)=O)C(O)=O","InChI=1S/C14H23N2O5P.C2HF3O2/c15-5-2-1-4-14(13(17)18)11-16(6-8-22(14,19)20)9-12-3-7-21-10-12;3-2(4,5)1(6)7/h3,7,10H,1-2,4-6,8-9,11,15H2,(H,17,18)(H,19,20);(H,6,7)","WAYVWYLTVVVTBB-UHFFFAOYSA-N",null,1100]
[1093,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50197531","CC12CC3CC(C)(C1)CC(C3)(C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C27H48N4O5S/c1-25-13-20-14-26(2,16-25)18-27(15-20,17-25)29-23(32)22(12-19-8-4-3-5-9-19)31-37(35,36)30-21(24(33)34)10-6-7-11-28/h19-22,30-31H,3-18,28H2,1-2H3,(H,29,32)(H,33,34)/t20?,21-,22-,25?,26?,27?/m0/s1","CZSZMCHTTSACDU-SQFQGINYSA-N",null,1100]
[1094,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50575736","OC(=O)C(F)(F)F.NCCCCCC1(CCCCCCP1(O)=O)C(O)=O","InChI=1S/C13H26NO4P.C2HF3O2/c14-10-6-3-5-9-13(12(15)16)8-4-1-2-7-11-19(13,17)18;3-2(4,5)1(6)7/h1-11,14H2,(H,15,16)(H,17,18);(H,6,7)","NHOABYGHHQAXAK-UHFFFAOYSA-N",null,1100]
[1095,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197574","CCC[C@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C","InChI=1S/C21H40N4O5S/c1-5-8-15(24-31(29,30)25-16(19(27)28)9-6-7-12-22)18(26)23-17-13-14-10-11-21(17,4)20(14,2)3/h14-17,24-25H,5-13,22H2,1-4H3,(H,23,26)(H,27,28)/t14-,15+,16+,17+,21+/m1/s1","TUNXZSSDGLMJOX-RZSFDFLPSA-N",null,1100]
[1096,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197558","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCN)C(O)=O","InChI=1S/C24H44N4O5S/c1-23(2)17-11-12-24(23,3)20(15-17)26-21(29)19(14-16-8-5-4-6-9-16)28-34(32,33)27-18(22(30)31)10-7-13-25/h16-20,27-28H,4-15,25H2,1-3H3,(H,26,29)(H,30,31)/t17-,18+,19+,20+,24+/m1/s1","UFLJZTNISDJMGN-LJTNYMJHSA-N",null,1100]
[1097,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089739","NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NCc1ccc(Cl)cc1)C(O)=O","InChI=1S/C23H35ClN4O4/c24-18-11-9-17(10-12-18)15-26-21(29)20(14-16-6-2-1-3-7-16)28-23(32)27-19(22(30)31)8-4-5-13-25/h9-12,16,19-20H,1-8,13-15,25H2,(H,26,29)(H,30,31)(H2,27,28,32)/t19-,20+/m0/s1","VBPKSMGVSGMMAR-VQTJNVASSA-N",null,1200]
[1098,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008278","NCCC[C@]1(CCn2c(C1)ncc2-c1ccccc1)C(O)=O","InChI=1S/C17H21N3O2/c18-9-4-7-17(16(21)22)8-10-20-14(12-19-15(20)11-17)13-5-2-1-3-6-13/h1-3,5-6,12H,4,7-11,18H2,(H,21,22)/t17-/m1/s1","QUVXXNLGVUXFKY-QGZVFWFLSA-N",null,1300]
[1099,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089685","CC(C)CCNC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C26H43N5O6/c1-19(2)14-17-28-23(32)21(30-25(35)31-22(24(33)34)13-6-8-15-27)12-7-9-16-29-26(36)37-18-20-10-4-3-5-11-20/h3-5,10-11,19,21-22H,6-9,12-18,27H2,1-2H3,(H,28,32)(H,29,36)(H,33,34)(H2,30,31,35)/t21-,22+/m1/s1","CHTDAZARBWINCK-YADHBBJMSA-N",null,1400]
[1100,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50395736","CCOC(=O)C(CCCCCN)C[Se]C(=O)CC","InChI=1S/C13H25NO3Se/c1-3-12(15)18-10-11(13(16)17-4-2)8-6-5-7-9-14/h11H,3-10,14H2,1-2H3","BOAPBPBQRLRKGC-UHFFFAOYSA-N",null,1400]
[1101,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50575753","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccco2)CCP1(O)=O)C(O)=O","InChI=1S/C14H23N2O5P.C2HF3O2/c15-6-2-1-5-14(13(17)18)11-16(7-9-22(14,19)20)10-12-4-3-8-21-12;3-2(4,5)1(6)7/h3-4,8H,1-2,5-7,9-11,15H2,(H,17,18)(H,19,20);(H,6,7)","NHUTWXDCZGPHKX-UHFFFAOYSA-N",null,1500]
[1102,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197579","CC(=N)NCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C)C(O)=O","InChI=1S/C26H47N5O5S/c1-17(27)28-14-8-11-20(24(33)34)30-37(35,36)31-21(15-18-9-6-5-7-10-18)23(32)29-22-16-19-12-13-26(22,4)25(19,2)3/h18-22,30-31H,5-16H2,1-4H3,(H2,27,28)(H,29,32)(H,33,34)/t19-,20+,21+,22+,26+/m1/s1","OLGARYXRJUKFAM-RZFRIWOHSA-N",null,1500]
[1103,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089692","CC(C)CCNC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C21H40N4O4/c1-15(2)11-13-23-19(26)18(14-16-8-4-3-5-9-16)25-21(29)24-17(20(27)28)10-6-7-12-22/h15-18H,3-14,22H2,1-2H3,(H,23,26)(H,27,28)(H2,24,25,29)/t17-,18+/m0/s1","PNONBGCPQRQQBB-ZWKOTPCHSA-N",null,1500]
[1104,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144323","Cc1cc(N)ncc1CC(C(O)=O)c1cnc[nH]1","InChI=1S/C12H14N4O2/c1-7-2-11(13)15-4-8(7)3-9(12(17)18)10-5-14-6-16-10/h2,4-6,9H,3H2,1H3,(H2,13,15)(H,14,16)(H,17,18)","KALXZOHMRQIEQG-UHFFFAOYSA-N",null,1500]
[1105,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50135933","Nc1ccc(CC(C(O)=O)c2cnc[nH]2)cn1","InChI=1S/C11H12N4O2/c12-10-2-1-7(4-14-10)3-8(11(16)17)9-5-13-6-15-9/h1-2,4-6,8H,3H2,(H2,12,14)(H,13,15)(H,16,17)","IFHWJTOFROTZBD-UHFFFAOYSA-N",null,1500]
[1106,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50575737","OC(=O)C(F)(F)F.NCCCCCC1(CCCCCCCP1(O)=O)C(O)=O","InChI=1S/C14H28NO4P.C2HF3O2/c15-11-7-4-6-10-14(13(16)17)9-5-2-1-3-8-12-20(14,18)19;3-2(4,5)1(6)7/h1-12,15H2,(H,16,17)(H,18,19);(H,6,7)","YKJIFLVZYLYOAK-UHFFFAOYSA-N",null,1500]
[1107,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50121929","OC(=O)CC(Cc1ccccc1)C(O)=O","InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)","GTOFKXZQQDSVFH-UHFFFAOYSA-N",null,1600]
[1108,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395734","NCCCCCC(C[Se]C(=O)CCCc1ccccc1)C(O)=O","InChI=1S/C18H27NO3Se/c19-13-6-2-5-11-16(18(21)22)14-23-17(20)12-7-10-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14,19H2,(H,21,22)","KMMJFXKNWGNVOX-UHFFFAOYSA-N",null,1600]
[1109,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197544","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1ccncc1)C(O)=O","InChI=1S/C27H42N4O5S/c1-26(2)20-9-12-27(26,3)23(17-20)29-24(32)21(15-18-7-5-4-6-8-18)30-37(35,36)31-22(25(33)34)16-19-10-13-28-14-11-19/h10-11,13-14,18,20-23,30-31H,4-9,12,15-17H2,1-3H3,(H,29,32)(H,33,34)/t20-,21+,22+,23+,27+/m1/s1","HDEKKTYMNZXVPF-BXOWXZKISA-N",null,1700]
[1110,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197560","NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CCCCC1)C(O)=O","InChI=1S/C21H40N4O5S/c22-14-8-7-13-18(21(27)28)24-31(29,30)25-19(15-16-9-3-1-4-10-16)20(26)23-17-11-5-2-6-12-17/h16-19,24-25H,1-15,22H2,(H,23,26)(H,27,28)/t18-,19-/m0/s1","JAJRRGCSNAXOQY-OALUTQOASA-N",null,1700]
[1111,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197562","CC1CCCC(C1)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C22H42N4O5S/c1-16-8-7-11-18(14-16)24-21(27)20(15-17-9-3-2-4-10-17)26-32(30,31)25-19(22(28)29)12-5-6-13-23/h16-20,25-26H,2-15,23H2,1H3,(H,24,27)(H,28,29)/t16?,18?,19-,20-/m0/s1","NMIJCOOOMNGWHA-QUDVFMAMSA-N",null,1700]
[1112,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50197564","CC(C)(C)C1CCC(CC1)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C25H48N4O5S/c1-25(2,3)19-12-14-20(15-13-19)27-23(30)22(17-18-9-5-4-6-10-18)29-35(33,34)28-21(24(31)32)11-7-8-16-26/h18-22,28-29H,4-17,26H2,1-3H3,(H,27,30)(H,31,32)/t19?,20?,21-,22-/m0/s1","WXMPWZLDDZZEQU-UJKMTWAASA-N",null,1700]
[1113,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50575734","OC(=O)C(F)(F)F.NCCCCCC1(CCCCCP1(O)=O)C(O)=O","InChI=1S/C12H24NO4P.C2HF3O2/c13-9-5-1-3-7-12(11(14)15)8-4-2-6-10-18(12,16)17;3-2(4,5)1(6)7/h1-10,13H2,(H,14,15)(H,16,17);(H,6,7)","QMULMHHDRFZRDX-UHFFFAOYSA-N",null,1800]
[1114,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395733","NCCCCCC(C[Se]C(=O)CCc1ccccc1)C(O)=O","InChI=1S/C17H25NO3Se/c18-12-6-2-5-9-15(17(20)21)13-22-16(19)11-10-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13,18H2,(H,20,21)","JNRHODQLZKDDMA-UHFFFAOYSA-N",null,2000]
[1115,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197539","NCCCC[C@H](NS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O","InChI=1S/C25H38N4O5S/c26-9-5-4-8-21(24(31)32)28-35(33,34)29-22(13-17-6-2-1-3-7-17)23(30)27-25-14-18-10-19(15-25)12-20(11-18)16-25/h1-3,6-7,18-22,28-29H,4-5,8-16,26H2,(H,27,30)(H,31,32)/t18?,19?,20?,21-,22-,25?/m0/s1","PMFATEWIKGNXDY-LYSMGBOCSA-N",null,2100]
[1116,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008277","CCc1cnc2CC(CCCN)(CCn12)C(O)=O","InChI=1S/C13H21N3O2/c1-2-10-9-15-11-8-13(12(17)18,4-3-6-14)5-7-16(10)11/h9H,2-8,14H2,1H3,(H,17,18)","LZWVQAPNCQXHEO-UHFFFAOYSA-N",null,2270]
[1117,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197552","CC[C@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C","InChI=1S/C20H38N4O5S/c1-5-14(23-30(28,29)24-15(18(26)27)8-6-7-11-21)17(25)22-16-12-13-9-10-20(16,4)19(13,2)3/h13-16,23-24H,5-12,21H2,1-4H3,(H,22,25)(H,26,27)/t13-,14+,15+,16+,20+/m1/s1","WCKOBJUGMBTSIE-HYUNPYRHSA-N",null,2300]
[1118,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008274","NCCC[C@]1(CCc2c(C1)ncn2Cc1cccc(c1)-c1ccccc1)C(O)=O","InChI=1S/C24H27N3O2/c25-13-5-11-24(23(28)29)12-10-22-21(15-24)26-17-27(22)16-18-6-4-9-20(14-18)19-7-2-1-3-8-19/h1-4,6-9,14,17H,5,10-13,15-16,25H2,(H,28,29)/t24-/m1/s1","XFDUWSDSIRIRFB-XMMPIXPASA-N",null,2500]
[1119,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50395729","CCOC(=O)C(C[Se]C(=O)CC)Cc1cnc(N)c(Cl)c1","InChI=1S/C14H19ClN2O3Se/c1-3-12(18)21-8-10(14(19)20-4-2)5-9-6-11(15)13(16)17-7-9/h6-7,10H,3-5,8H2,1-2H3,(H2,16,17)","KUNRSCIAQGRNQR-UHFFFAOYSA-N",null,2600]
[1120,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575735","OC(=O)C(F)(F)F.NCCCCC1(CCCCCCP1(O)=O)C(O)=O","InChI=1S/C12H24NO4P.C2HF3O2/c13-9-5-4-8-12(11(14)15)7-3-1-2-6-10-18(12,16)17;3-2(4,5)1(6)7/h1-10,13H2,(H,14,15)(H,16,17);(H,6,7)","JLQXSHRZLZSFOX-UHFFFAOYSA-N",null,2600]
[1121,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326390","C[C@@H](CN)C[C@@H]1C[C@@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C16H20N4O2/c1-11(8-17)6-12-7-16(12,15(21)22)13-9-20(10-19-13)14-4-2-3-5-18-14/h2-5,9-12H,6-8,17H2,1H3,(H,21,22)/t11-,12-,16+/m1/s1","FKDQZBMTXAMQNM-HSMVNMDESA-N",null,">3000"]
[1122,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50575756","COc1ccc(CN2CCP(O)(=O)C(CCCCN)(C2)C(O)=O)cc1","InChI=1S/C17H27N2O5P/c1-24-15-6-4-14(5-7-15)12-19-10-11-25(22,23)17(13-19,16(20)21)8-2-3-9-18/h4-7H,2-3,8-13,18H2,1H3,(H,20,21)(H,22,23)","FXOKEWONEPPFLB-UHFFFAOYSA-N",null,3104]
[1123,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008279","Cl.NCCC[C@]1(CCn2c(C1)ncc2-c1cccc(c1)-c1ccc(Cl)cc1Cl)C(O)=O","InChI=1S/C23H23Cl2N3O2.ClH/c24-17-5-6-18(19(25)12-17)15-3-1-4-16(11-15)20-14-27-21-13-23(22(29)30,7-2-9-26)8-10-28(20)21;/h1,3-6,11-12,14H,2,7-10,13,26H2,(H,29,30);1H/t23-;/m1./s1","IOOZRTSDGXVNMZ-GNAFDRTKSA-N",null,3200]
[1124,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395730","Nc1ncc(CC(C[Se][Se]CC(Cc2cnc(N)c(Cl)c2)C(O)=O)C(O)=O)cc1Cl","InChI=1S/C18H20Cl2N4O4Se2/c19-13-3-9(5-23-15(13)21)1-11(17(25)26)7-29-30-8-12(18(27)28)2-10-4-14(20)16(22)24-6-10/h3-6,11-12H,1-2,7-8H2,(H2,21,23)(H2,22,24)(H,25,26)(H,27,28)","LKLRNWHRLUKWFJ-UHFFFAOYSA-N",null,3300]
[1125,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144329","OC(=O)C(Cc1ccc2nccn2c1)c1cnc[nH]1","InChI=1S/C13H12N4O2/c18-13(19)10(11-6-14-8-16-11)5-9-1-2-12-15-3-4-17(12)7-9/h1-4,6-8,10H,5H2,(H,14,16)(H,18,19)","LRSURPFUBNBRFH-UHFFFAOYSA-N",null,3300]
[1126,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089746","CC1(C)C2CCC1(C)CC2NC(=O)CNC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C19H34N4O4/c1-18(2)12-7-8-19(18,3)10-14(12)22-15(24)11-21-17(27)23-13(16(25)26)6-4-5-9-20/h12-14H,4-11,20H2,1-3H3,(H,22,24)(H,25,26)(H2,21,23,27)/t12?,13-,14?,19?/m0/s1","YGNRCDSARDVNRZ-NWRIMCLESA-N",null,3700]
[1127,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395738","CC(=O)SCC(CCCCCN)C(O)=O","InChI=1S/C10H19NO3S/c1-8(12)15-7-9(10(13)14)5-3-2-4-6-11/h9H,2-7,11H2,1H3,(H,13,14)","AFSFNKKPRPMFHO-UHFFFAOYSA-N",null,3800]
[1128,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197563","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O","InChI=1S/C25H41N5O5S/c1-24(2)17-9-10-25(24,3)21(12-17)28-22(31)19(11-16-7-5-4-6-8-16)29-36(34,35)30-20(23(32)33)13-18-14-26-15-27-18/h14-17,19-21,29-30H,4-13H2,1-3H3,(H,26,27)(H,28,31)(H,32,33)/t17-,19+,20+,21+,25+/m1/s1","MWDYDFUMFPIWRS-FAJCANAKSA-N",null,4400]
[1129,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144324","NCCCCCC(C(O)=O)c1cnc[nH]1","InChI=1S/C10H17N3O2/c11-5-3-1-2-4-8(10(14)15)9-6-12-7-13-9/h6-8H,1-5,11H2,(H,12,13)(H,14,15)","XZPKPIITOZJCFP-UHFFFAOYSA-N",null,4700]
[1130,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50226610","CCCn1cnc(C[C@H](CCCN)C(O)=O)c1","InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s1","OTDGPKRCQXSTPV-JTQLQIEISA-N",null,5000]
[1131,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575731","OC(=O)C(F)(F)F.NCCCCCC1(CCCCP1(O)=O)C(O)=O","InChI=1S/C11H22NO4P.C2HF3O2/c12-8-4-1-2-6-11(10(13)14)7-3-5-9-17(11,15)16;3-2(4,5)1(6)7/h1-9,12H2,(H,13,14)(H,15,16);(H,6,7)","QAGLSNXWEACUTA-UHFFFAOYSA-N",null,5000]
[1132,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50575733","OC(=O)C(F)(F)F.NCCCCC1(CCCCCP1(O)=O)C(O)=O","InChI=1S/C11H22NO4P.C2HF3O2/c12-8-4-3-7-11(10(13)14)6-2-1-5-9-17(11,15)16;3-2(4,5)1(6)7/h1-9,12H2,(H,13,14)(H,15,16);(H,6,7)","JZGRPJDDVVMQLZ-UHFFFAOYSA-N",null,5000]
[1133,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144332","Nc1ncc(CC(C(O)=O)c2cnc[nH]2)cc1Cl","InChI=1S/C11H11ClN4O2/c12-8-2-6(3-15-10(8)13)1-7(11(17)18)9-4-14-5-16-9/h2-5,7H,1H2,(H2,13,15)(H,14,16)(H,17,18)","MJTFFPFQFJNAGQ-UHFFFAOYSA-N",null,5300]
[1134,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201432","CC(=N)N1CCC(CC1)C(CS)C(O)=O","InChI=1S/C10H18N2O2S/c1-7(11)12-4-2-8(3-5-12)9(6-15)10(13)14/h8-9,11,15H,2-6H2,1H3,(H,13,14)","ODTIDKLOSIANQV-UHFFFAOYSA-N",null,5300]
[1135,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197534","CC1CC(CC(C)(C)C1)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C24H46N4O5S/c1-17-13-19(16-24(2,3)15-17)26-22(29)21(14-18-9-5-4-6-10-18)28-34(32,33)27-20(23(30)31)11-7-8-12-25/h17-21,27-28H,4-16,25H2,1-3H3,(H,26,29)(H,30,31)/t17?,19?,20-,21-/m0/s1","YGZGRMDSLQIEKK-BOWFFMLLSA-N",null,5700]
[1136,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144339","Cc1nc(N)ccc1CC(C(O)=O)c1cnc[nH]1","InChI=1S/C12H14N4O2/c1-7-8(2-3-11(13)16-7)4-9(12(17)18)10-5-14-6-15-10/h2-3,5-6,9H,4H2,1H3,(H2,13,16)(H,14,15)(H,17,18)","XGTNBKDLXCKTDY-UHFFFAOYSA-N",null,5800]
[1137,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089747","CC(C)(NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC1CC2(C)CCC1C2(C)C","InChI=1S/C21H38N4O4/c1-19(2)13-9-10-21(19,5)12-15(13)23-17(28)20(3,4)25-18(29)24-14(16(26)27)8-6-7-11-22/h13-15H,6-12,22H2,1-5H3,(H,23,28)(H,26,27)(H2,24,25,29)/t13?,14-,15?,21?/m0/s1","UKTRIANNESCITF-WYIKUNGISA-N",null,6100]
[1138,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197553","CC1(C)C2CCC1(C)C(C2)OC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C25H45N3O6S/c1-24(2)18-12-13-25(24,3)21(16-18)34-23(31)20(15-17-9-5-4-6-10-17)28-35(32,33)27-19(22(29)30)11-7-8-14-26/h17-21,27-28H,4-16,26H2,1-3H3,(H,29,30)/t18?,19-,20-,21?,25?/m0/s1","IGNKCFDUYAOGGL-VKTGUWLDSA-N",null,6400]
[1139,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144327","Nc1ncc(CC(C(O)=O)c2cnc[nH]2)cc1F","InChI=1S/C11H11FN4O2/c12-8-2-6(3-15-10(8)13)1-7(11(17)18)9-4-14-5-16-9/h2-5,7H,1H2,(H2,13,15)(H,14,16)(H,17,18)","SMMKWWBBCKGWEQ-UHFFFAOYSA-N",null,6700]
[1140,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197561","CC(C)(C)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C19H38N4O5S/c1-19(2,3)21-17(24)16(13-14-9-5-4-6-10-14)23-29(27,28)22-15(18(25)26)11-7-8-12-20/h14-16,22-23H,4-13,20H2,1-3H3,(H,21,24)(H,25,26)/t15-,16-/m0/s1","LVOZNJMCMRKNQO-HOTGVXAUSA-N",null,6700]
[1141,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144321","NCCCC(C(O)=O)c1cnc[nH]1","InChI=1S/C8H13N3O2/c9-3-1-2-6(8(12)13)7-4-10-5-11-7/h4-6H,1-3,9H2,(H,10,11)(H,12,13)","BSUQXFIQHAIGHA-UHFFFAOYSA-N",null,6800]
[1142,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144341","NC1CCC(CC(C(O)=O)c2cnc[nH]2)CC1","InChI=1S/C12H19N3O2/c13-9-3-1-8(2-4-9)5-10(12(16)17)11-6-14-7-15-11/h6-10H,1-5,13H2,(H,14,15)(H,16,17)","QDWZLLMKOBKAAN-UHFFFAOYSA-N",null,7000]
[1143,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197545","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1ccc(N)cc1)C(O)=O","InChI=1S/C28H44N4O5S/c1-27(2)20-13-14-28(27,3)24(17-20)30-25(33)22(15-18-7-5-4-6-8-18)31-38(36,37)32-23(26(34)35)16-19-9-11-21(29)12-10-19/h9-12,18,20,22-24,31-32H,4-8,13-17,29H2,1-3H3,(H,30,33)(H,34,35)/t20-,22+,23+,24+,28+/m1/s1","JMPROEFTODXVTK-PBXXYNGLSA-N",null,7100]
[1144,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008276","NCCCC1(CCc2c(C1)ncn2-c1ccccc1)C(O)=O","InChI=1S/C17H21N3O2/c18-10-4-8-17(16(21)22)9-7-15-14(11-17)19-12-20(15)13-5-2-1-3-6-13/h1-3,5-6,12H,4,7-11,18H2,(H,21,22)","GBGNYJCWTUIJPT-UHFFFAOYSA-N",null,7100]
[1145,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201436","NCC(=O)N1CCC(CC1)C(CS)C(O)=O","InChI=1S/C10H18N2O3S/c11-5-9(13)12-3-1-7(2-4-12)8(6-16)10(14)15/h7-8,16H,1-6,11H2,(H,14,15)","NPCZDASYWFJQJA-UHFFFAOYSA-N",null,7350]
[1146,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50008270","CCCn1cnc(CC(NCCN)C(O)=O)c1","InChI=1S/C11H20N4O2/c1-2-5-15-7-9(14-8-15)6-10(11(16)17)13-4-3-12/h7-8,10,13H,2-6,12H2,1H3,(H,16,17)","UVTMXVBQOPVNHA-UHFFFAOYSA-N",null,8000]
[1147,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575751","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2cccnc2)CCP1(O)=O)C(O)=O","InChI=1S/C15H24N3O4P.C2HF3O2/c16-6-2-1-5-15(14(19)20)12-18(8-9-23(15,21)22)11-13-4-3-7-17-10-13;3-2(4,5)1(6)7/h3-4,7,10H,1-2,5-6,8-9,11-12,16H2,(H,19,20)(H,21,22);(H,6,7)","YWJYYQOJGKUZDS-UHFFFAOYSA-N",null,8000]
[1148,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575748","OC(=O)C(F)(F)F.NCCCCC1(CN(CCc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C17H27N2O4P.C2HF3O2/c18-10-5-4-9-17(16(20)21)14-19(12-13-24(17,22)23)11-8-15-6-2-1-3-7-15;3-2(4,5)1(6)7/h1-3,6-7H,4-5,8-14,18H2,(H,20,21)(H,22,23);(H,6,7)","ZOTFJHNLCQTIEX-UHFFFAOYSA-N",null,8700]
[1149,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173893","NCCCC[C@H](NC(=O)N[C@@H]1Cc2ccc(OCCCCOCCNC1=O)cc2)C(O)=O","InChI=1S/C22H34N4O6/c23-10-2-1-5-18(21(28)29)25-22(30)26-19-15-16-6-8-17(9-7-16)32-13-4-3-12-31-14-11-24-20(19)27/h6-9,18-19H,1-5,10-15,23H2,(H,24,27)(H,28,29)(H2,25,26,30)/t18-,19+/m0/s1","FFCFLBMRACESBH-RBUKOAKNSA-N",null,9044,{"$nulls":4},7.4,"25.00 C"]
[1150,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575744","OC(=O)C(F)(F)F.NCCCCC1(CNCCP1(O)=O)C(O)=O","InChI=1S/C9H19N2O4P.C2HF3O2/c10-4-2-1-3-9(8(12)13)7-11-5-6-16(9,14)15;3-2(4,5)1(6)7/h11H,1-7,10H2,(H,12,13)(H,14,15);(H,6,7)","SNYGSVSENJFZFI-UHFFFAOYSA-N",null,9300]
[1151,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326361","CCOC(=O)C1(CC1CCCN)c1cn(cn1)-c1ccc(C)cc1","InChI=1S/C19H25N3O2/c1-3-24-18(23)19(11-15(19)5-4-10-20)17-12-22(13-21-17)16-8-6-14(2)7-9-16/h6-9,12-13,15H,3-5,10-11,20H2,1-2H3","LVXJMKKSUFMMJM-UHFFFAOYSA-N",null,10000]
[1152,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM326364","COC(=O)[C@@]1(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccccc1","InChI=1S/C27H37N3O6/c1-25(2,3)35-23(32)30(24(33)36-26(4,5)6)15-11-12-19-16-27(19,22(31)34-7)21-17-29(18-28-21)20-13-9-8-10-14-20/h8-10,13-14,17-19H,11-12,15-16H2,1-7H3/t19-,27+/m0/s1","UJVDFWJVJPJVJK-UZTOHYMASA-N",null,">10000"]
[1153,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50197566","CC(C)C[C@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC12CC3CC(CC(C3)C1)C2","InChI=1S/C22H40N4O5S/c1-14(2)7-19(26-32(30,31)25-18(21(28)29)5-3-4-6-23)20(27)24-22-11-15-8-16(12-22)10-17(9-15)13-22/h14-19,25-26H,3-13,23H2,1-2H3,(H,24,27)(H,28,29)/t15?,16?,17?,18-,19-,22?/m0/s1","LDFLBXVUTJIWLT-DDNHJUOSSA-N",null,10000]
[1154,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575742","NCCCC[C@@]1(CN(Cc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C16H25N2O4P/c17-9-5-4-8-16(15(19)20)13-18(10-11-23(16,21)22)12-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13,17H2,(H,19,20)(H,21,22)/t16-/m1/s1","ZNSVXALGZJWZDW-MRXNPFEDSA-N",null,10700]
[1155,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50575730","OC(=O)C(F)(F)F.NCCCCC1(CCCCP1(O)=O)C(O)=O","InChI=1S/C10H20NO4P.C2HF3O2/c11-7-3-1-5-10(9(12)13)6-2-4-8-16(10,14)15;3-2(4,5)1(6)7/h1-8,11H2,(H,12,13)(H,14,15);(H,6,7)","QAYYIGFIHMZQCZ-UHFFFAOYSA-N",null,11700]
[1156,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144330","Nc1cc(CC(C(O)=O)c2cnc[nH]2)ccn1","InChI=1S/C11H12N4O2/c12-10-4-7(1-2-14-10)3-8(11(16)17)9-5-13-6-15-9/h1-2,4-6,8H,3H2,(H2,12,14)(H,13,15)(H,16,17)","HYHAXVLPBRMADO-UHFFFAOYSA-N",null,12000]
[1157,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144318","CNc1ccc(CC(C(O)=O)c2cnc[nH]2)cn1","InChI=1S/C12H14N4O2/c1-13-11-3-2-8(5-15-11)4-9(12(17)18)10-6-14-7-16-10/h2-3,5-7,9H,4H2,1H3,(H,13,15)(H,14,16)(H,17,18)","BOHWPWFPCZGWLB-UHFFFAOYSA-N",null,13000]
[1158,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197527","NCCCC[C@H](NS(N)(=O)=O)C(O)=O","InChI=1S/C6H15N3O4S/c7-4-2-1-3-5(6(10)11)9-14(8,12)13/h5,9H,1-4,7H2,(H,10,11)(H2,8,12,13)/t5-/m0/s1","IASBEZUWLDLXMF-YFKPBYRVSA-N",null,15000]
[1159,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144343","Nc1cccc(CC(C(O)=O)c2cnc[nH]2)n1","InChI=1S/C11H12N4O2/c12-10-3-1-2-7(15-10)4-8(11(16)17)9-5-13-6-14-9/h1-3,5-6,8H,4H2,(H2,12,15)(H,13,14)(H,16,17)","PAWOJNNZSAZPFM-UHFFFAOYSA-N",null,15000]
[1160,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50008275","NCCCC1(CCc2c(C1)ncn2CCC1CCC(CC1)C1CCCCC1)C(O)=O","InChI=1S/C25H41N3O2/c26-15-4-13-25(24(29)30)14-11-23-22(17-25)27-18-28(23)16-12-19-7-9-21(10-8-19)20-5-2-1-3-6-20/h18-21H,1-17,26H2,(H,29,30)","KUVAYHVUNQWSPM-UHFFFAOYSA-N",null,16000]
[1161,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575728","OC(=O)C(F)(F)F.NCCCCCC1(CCCP1(O)=O)C(O)=O","InChI=1S/C10H20NO4P.C2HF3O2/c11-7-3-1-2-5-10(9(12)13)6-4-8-16(10,14)15;3-2(4,5)1(6)7/h1-8,11H2,(H,12,13)(H,14,15);(H,6,7)","XBJIYYNAOAZQNT-UHFFFAOYSA-N",null,18000]
[1162,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50575727","OC(=O)C(F)(F)F.NCCCCC1(CCCP1(O)=O)C(O)=O","InChI=1S/C9H18NO4P.C2HF3O2/c10-6-2-1-4-9(8(11)12)5-3-7-15(9,13)14;3-2(4,5)1(6)7/h1-7,10H2,(H,11,12)(H,13,14);(H,6,7)","MZQXZQRRRNTYIJ-UHFFFAOYSA-N",null,19000]
[1163,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144328","OC(=O)C(CC1CNC1)c1cnc[nH]1","InChI=1S/C9H13N3O2/c13-9(14)7(1-6-2-10-3-6)8-4-11-5-12-8/h4-7,10H,1-3H2,(H,11,12)(H,13,14)","QOPLLDRZVJKFKZ-UHFFFAOYSA-N",null,">20000"]
[1164,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144345","OC(=O)C(CCC1CCNCC1)c1cnc[nH]1","InChI=1S/C12H19N3O2/c16-12(17)10(11-7-14-8-15-11)2-1-9-3-5-13-6-4-9/h7-10,13H,1-6H2,(H,14,15)(H,16,17)","VGONPUQQNFWWKY-UHFFFAOYSA-N",null,">20000"]
[1165,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144347","OC(=O)C(CC1CCCNCC1)c1cnc[nH]1","InChI=1S/C12H19N3O2/c16-12(17)10(11-7-14-8-15-11)6-9-2-1-4-13-5-3-9/h7-10,13H,1-6H2,(H,14,15)(H,16,17)","INJCJHZOMQZWIL-UHFFFAOYSA-N",null,">20000"]
[1166,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144331","OC(=O)C(CCC1CCCNCC1)c1cnc[nH]1","InChI=1S/C13H21N3O2/c17-13(18)11(12-8-15-9-16-12)4-3-10-2-1-6-14-7-5-10/h8-11,14H,1-7H2,(H,15,16)(H,17,18)","GAIGLPJJMSVFPK-UHFFFAOYSA-N",null,">20000"]
[1167,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144344","OC(=O)C(CCC1CNC1)c1cnc[nH]1","InChI=1S/C10H15N3O2/c14-10(15)8(9-5-12-6-13-9)2-1-7-3-11-4-7/h5-8,11H,1-4H2,(H,12,13)(H,14,15)","UQXHMWXXCVCNPW-UHFFFAOYSA-N",null,">20000"]
[1168,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144346","NC1CCCC(CC(C(O)=O)c2cnc[nH]2)C1","InChI=1S/C12H19N3O2/c13-9-3-1-2-8(4-9)5-10(12(16)17)11-6-14-7-15-11/h6-10H,1-5,13H2,(H,14,15)(H,16,17)","IJYXPKYOLPUBTD-UHFFFAOYSA-N",null,">20000"]
[1169,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144340","OC(=O)C(CC1CCNCC1)c1cnc[nH]1","InChI=1S/C11H17N3O2/c15-11(16)9(10-6-13-7-14-10)5-8-1-3-12-4-2-8/h6-9,12H,1-5H2,(H,13,14)(H,15,16)","DLGFDVPVEWXPED-UHFFFAOYSA-N",null,">20000"]
[1170,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144315","OC(=O)C(CC1CCNC1)c1cnc[nH]1","InChI=1S/C10H15N3O2/c14-10(15)8(9-5-12-6-13-9)3-7-1-2-11-4-7/h5-8,11H,1-4H2,(H,12,13)(H,14,15)","INVOTOQAZAYERD-UHFFFAOYSA-N",null,">20000"]
[1171,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50144335","OC(=O)C(CCC1CCNC1)c1cnc[nH]1","InChI=1S/C11H17N3O2/c15-11(16)9(10-6-13-7-14-10)2-1-8-3-4-12-5-8/h6-9,12H,1-5H2,(H,13,14)(H,15,16)","JCLSZUPFUNWOHZ-UHFFFAOYSA-N",null,">20000"]
[1172,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50575746","OC(=O)C(F)(F)F.CCCCCN1CCP(O)(=O)C(CCCCN)(C1)C(O)=O","InChI=1S/C14H29N2O4P.C2HF3O2/c1-2-3-6-9-16-10-11-21(19,20)14(12-16,13(17)18)7-4-5-8-15;3-2(4,5)1(6)7/h2-12,15H2,1H3,(H,17,18)(H,19,20);(H,6,7)","GTJSIOCTVDRGGF-UHFFFAOYSA-N",null,20100]
[1173,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197577","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1ccccc1)C(O)=O","InChI=1S/C28H43N3O5S/c1-27(2)21-14-15-28(27,3)24(18-21)29-25(32)22(16-19-10-6-4-7-11-19)30-37(35,36)31-23(26(33)34)17-20-12-8-5-9-13-20/h5,8-9,12-13,19,21-24,30-31H,4,6-7,10-11,14-18H2,1-3H3,(H,29,32)(H,33,34)/t21-,22+,23+,24+,28+/m1/s1","KJDYVYATVMPQOW-HOZMCVABSA-N",null,24000]
[1174,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144319","CNCCCCC(C(O)=O)c1cnc[nH]1","InChI=1S/C10H17N3O2/c1-11-5-3-2-4-8(10(14)15)9-6-12-7-13-9/h6-8,11H,2-5H2,1H3,(H,12,13)(H,14,15)","FKWZRTDRIWYJKY-UHFFFAOYSA-N",null,26000]
[1175,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197547","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCC(N)=O)C(O)=O","InChI=1S/C25H44N4O6S/c1-24(2)17-12-13-25(24,3)20(15-17)27-22(31)19(14-16-8-5-4-6-9-16)29-36(34,35)28-18(23(32)33)10-7-11-21(26)30/h16-20,28-29H,4-15H2,1-3H3,(H2,26,30)(H,27,31)(H,32,33)/t17-,18+,19+,20+,25+/m1/s1","DKUDMGHEJNAILF-PDGNJTGUSA-N",null,">30000"]
[1176,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197546","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCNC(N)=O)C(O)=O","InChI=1S/C26H47N5O6S/c1-25(2)18-12-13-26(25,3)21(16-18)29-22(32)20(15-17-9-5-4-6-10-17)31-38(36,37)30-19(23(33)34)11-7-8-14-28-24(27)35/h17-21,30-31H,4-16H2,1-3H3,(H,29,32)(H,33,34)(H3,27,28,35)/t18-,19+,20+,21+,26+/m1/s1","ZGYPRMDALXFDCP-QDKCGITRSA-N",null,">30000"]
[1177,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50197538","CC(C)[C@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC12CC3CC(CC(C3)C1)C2","InChI=1S/C21H38N4O5S/c1-13(2)18(25-31(29,30)24-17(20(27)28)5-3-4-6-22)19(26)23-21-10-14-7-15(11-21)9-16(8-14)12-21/h13-18,24-25H,3-12,22H2,1-2H3,(H,23,26)(H,27,28)/t14?,15?,16?,17-,18-,21?/m0/s1","OUNNZIYXVZDQEH-OITRNQOZSA-N",null,">30000"]
[1178,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50575767","NCCCCC1(CN(Cc2ccccc2Oc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C22H29N2O5P/c23-13-7-6-12-22(21(25)26)17-24(14-15-30(22,27)28)16-18-8-4-5-11-20(18)29-19-9-2-1-3-10-19/h1-5,8-11H,6-7,12-17,23H2,(H,25,26)(H,27,28)","HJMUGZLCPOUGGN-UHFFFAOYSA-N",null,">30000"]
[1179,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197535","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCO)C(O)=O","InChI=1S/C25H45N3O6S/c1-24(2)18-12-13-25(24,3)21(16-18)26-22(30)20(15-17-9-5-4-6-10-17)28-35(33,34)27-19(23(31)32)11-7-8-14-29/h17-21,27-29H,4-16H2,1-3H3,(H,26,30)(H,31,32)/t18-,19+,20+,21+,25+/m1/s1","JGBKTEBOXQKXIS-PHGOAHNDSA-N",null,">30000"]
[1180,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197529","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CC1CCC(N)CC1)C(O)=O","InChI=1S/C28H50N4O5S/c1-27(2)20-13-14-28(27,3)24(17-20)30-25(33)22(15-18-7-5-4-6-8-18)31-38(36,37)32-23(26(34)35)16-19-9-11-21(29)12-10-19/h18-24,31-32H,4-17,29H2,1-3H3,(H,30,33)(H,34,35)/t19?,20-,21?,22+,23+,24+,28+/m1/s1","ZUVKLOWIUQUADU-MMFKTKKRSA-N",null,">30000"]
[1181,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50197537","C[C@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC12CC3CC(CC(C3)C1)C2","InChI=1S/C19H34N4O5S/c1-12(22-29(27,28)23-16(18(25)26)4-2-3-5-20)17(24)21-19-9-13-6-14(10-19)8-15(7-13)11-19/h12-16,22-23H,2-11,20H2,1H3,(H,21,24)(H,25,26)/t12-,13?,14?,15?,16-,19?/m0/s1","JCWJMQFYTRMVQI-VYXJFRSESA-N",null,">30000"]
[1182,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575766","NCCCCC1(CN(Cc2ccc(cc2)-c2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C22H29N2O4P/c23-13-5-4-12-22(21(25)26)17-24(14-15-29(22,27)28)16-18-8-10-20(11-9-18)19-6-2-1-3-7-19/h1-3,6-11H,4-5,12-17,23H2,(H,25,26)(H,27,28)","XKEWZZHDFCZESH-UHFFFAOYSA-N",null,">30000"]
[1183,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575765","NCCCCC1(CN(Cc2cccc(c2)-c2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C22H29N2O4P/c23-12-5-4-11-22(21(25)26)17-24(13-14-29(22,27)28)16-18-7-6-10-20(15-18)19-8-2-1-3-9-19/h1-3,6-10,15H,4-5,11-14,16-17,23H2,(H,25,26)(H,27,28)","KQZZDKNZPXKLSL-UHFFFAOYSA-N",null,">30000"]
[1184,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575750","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccncc2)CCP1(O)=O)C(O)=O","InChI=1S/C15H24N3O4P.C2HF3O2/c16-6-2-1-5-15(14(19)20)12-18(9-10-23(15,21)22)11-13-3-7-17-8-4-13;3-2(4,5)1(6)7/h3-4,7-8H,1-2,5-6,9-12,16H2,(H,19,20)(H,21,22);(H,6,7)","QEBCYXQAFHKXPG-UHFFFAOYSA-N",null,">30000"]
[1185,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575749","OC(=O)C(F)(F)F.NCCCCC1(CN(CCCc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C18H29N2O4P.C2HF3O2/c19-11-5-4-10-18(17(21)22)15-20(13-14-25(18,23)24)12-6-9-16-7-2-1-3-8-16;3-2(4,5)1(6)7/h1-3,7-8H,4-6,9-15,19H2,(H,21,22)(H,23,24);(H,6,7)","WABNGSKCJVZLRR-UHFFFAOYSA-N",null,">30000"]
[1186,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575747","OC(=O)C(F)(F)F.NCCCCC1(CN(CC2CCCCC2)CCP1(O)=O)C(O)=O","InChI=1S/C16H31N2O4P.C2HF3O2/c17-9-5-4-8-16(15(19)20)13-18(10-11-23(16,21)22)12-14-6-2-1-3-7-14;3-2(4,5)1(6)7/h14H,1-13,17H2,(H,19,20)(H,21,22);(H,6,7)","XWJHIWXVFDQHNS-UHFFFAOYSA-N",null,">30000"]
[1187,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575745","OC(=O)C(F)(F)F.CN1CCP(O)(=O)C(CCCCN)(C1)C(O)=O","InChI=1S/C10H21N2O4P.C2HF3O2/c1-12-6-7-17(15,16)10(8-12,9(13)14)4-2-3-5-11;3-2(4,5)1(6)7/h2-8,11H2,1H3,(H,13,14)(H,15,16);(H,6,7)","VDCVXOSANJZRMT-UHFFFAOYSA-N",null,">30000"]
[1188,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575738","OC(=O)C(F)(F)F.NCCCC1(CN(Cc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C15H23N2O4P.C2HF3O2/c16-8-4-7-15(14(18)19)12-17(9-10-22(15,20)21)11-13-5-2-1-3-6-13;3-2(4,5)1(6)7/h1-3,5-6H,4,7-12,16H2,(H,18,19)(H,20,21);(H,6,7)","JSXJTBAFMDDNGE-UHFFFAOYSA-N",null,">30000"]
[1189,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575732","OC(=O)C(F)(F)F.NCCCCCCC1(CCCCP1(O)=O)C(O)=O","InChI=1S/C12H24NO4P.C2HF3O2/c13-9-5-2-1-3-7-12(11(14)15)8-4-6-10-18(12,16)17;3-2(4,5)1(6)7/h1-10,13H2,(H,14,15)(H,16,17);(H,6,7)","XDGARBGWYWYZQY-UHFFFAOYSA-N",null,">30000"]
[1190,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50575729","OC(=O)C(F)(F)F.NCCCC1(CCCCP1(O)=O)C(O)=O","InChI=1S/C9H18NO4P.C2HF3O2/c10-6-3-5-9(8(11)12)4-1-2-7-15(9,13)14;3-2(4,5)1(6)7/h1-7,10H2,(H,11,12)(H,13,14);(H,6,7)","FFWSKXWONZITCN-UHFFFAOYSA-N",null,">30000"]
[1191,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197569","NCCCC[C@H](NS(=O)(=O)N[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1)C(O)=O","InChI=1S/C24H36N4O5S/c25-9-5-4-8-20(23(30)31)27-34(32,33)28-21(19-6-2-1-3-7-19)22(29)26-24-13-16-10-17(14-24)12-18(11-16)15-24/h1-3,6-7,16-18,20-21,27-28H,4-5,8-15,25H2,(H,26,29)(H,30,31)/t16?,17?,18?,20-,21-,24?/m0/s1","GCICTGIAMWBFOG-BOSZTNLGSA-N",null,">30000"]
[1192,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197551","NCCCC[C@H](NS(=O)(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O","InChI=1S/C18H32N4O5S/c19-4-2-1-3-15(17(24)25)22-28(26,27)20-11-16(23)21-18-8-12-5-13(9-18)7-14(6-12)10-18/h12-15,20,22H,1-11,19H2,(H,21,23)(H,24,25)/t12?,13?,14?,15-,18?/m0/s1","HTKDZHKDQXOVDZ-URZJAHPPSA-N",null,">30000"]
[1193,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50197568","CC(=O)NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C)C(O)=O","InChI=1S/C27H48N4O6S/c1-18(32)28-15-9-8-12-21(25(34)35)30-38(36,37)31-22(16-19-10-6-5-7-11-19)24(33)29-23-17-20-13-14-27(23,4)26(20,2)3/h19-23,30-31H,5-17H2,1-4H3,(H,28,32)(H,29,33)(H,34,35)/t20-,21+,22+,23+,27+/m1/s1","KICGILUGWUOIGK-BXOWXZKISA-N",null,">30000"]
[1194,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50575726","OC(=O)C(F)(F)F.NCCCC1(CCCP1(O)=O)C(O)=O","InChI=1S/C8H16NO4P.C2HF3O2/c9-5-1-3-8(7(10)11)4-2-6-14(8,12)13;3-2(4,5)1(6)7/h1-6,9H2,(H,10,11)(H,12,13);(H,6,7)","OTIVHGRHVNBQDX-UHFFFAOYSA-N",null,">30000"]
[1195,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135933","Nc1ccc(CC(C(O)=O)c2cnc[nH]2)cn1","InChI=1S/C11H12N4O2/c12-10-2-1-7(4-14-10)3-8(11(16)17)9-5-13-6-15-9/h1-2,4-6,8H,3H2,(H2,12,14)(H,13,15)(H,16,17)","IFHWJTOFROTZBD-UHFFFAOYSA-N",null,31000]
[1196,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197530","CN(C)CCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C)C(O)=O","InChI=1S/C27H50N4O5S/c1-26(2)20-14-15-27(26,3)23(18-20)28-24(32)22(17-19-11-7-6-8-12-19)30-37(35,36)29-21(25(33)34)13-9-10-16-31(4)5/h19-23,29-30H,6-18H2,1-5H3,(H,28,32)(H,33,34)/t20-,21+,22+,23+,27+/m1/s1","DCLUNENWFFCBQD-BXOWXZKISA-N",null,44000]
[1197,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197532","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C1CCCCC1","InChI=1S/C24H44N4O5S/c1-23(2)17-12-13-24(23,3)19(15-17)26-21(29)20(16-9-5-4-6-10-16)28-34(32,33)27-18(22(30)31)11-7-8-14-25/h16-20,27-28H,4-15,25H2,1-3H3,(H,26,29)(H,30,31)/t17-,18+,19+,20+,24+/m1/s1","GIPPBCDUHJCGNM-LJTNYMJHSA-N",null,47000]
[1198,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144338","CN(C)CCCCC(C(O)=O)c1cnc[nH]1","InChI=1S/C11H19N3O2/c1-14(2)6-4-3-5-9(11(15)16)10-7-12-8-13-10/h7-9H,3-6H2,1-2H3,(H,12,13)(H,15,16)","ZEASILFPEFTDJS-UHFFFAOYSA-N",null,">50000"]
[1199,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089782","CC12CCC(C(C1)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](Cc1ccc(N)nc1)C#N)C2(C)C","InChI=1S/C28H42N6O2/c1-27(2)21-11-12-28(27,3)15-23(21)33-25(35)22(14-18-7-5-4-6-8-18)34-26(36)32-20(16-29)13-19-9-10-24(30)31-17-19/h9-10,17-18,20-23H,4-8,11-15H2,1-3H3,(H2,30,31)(H,33,35)(H2,32,34,36)/t20-,21?,22+,23?,28?/m0/s1","UWOKLNWAZGUKFI-WTYYAFBXSA-N",null,54000]
[1200,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089693","NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)N1CCCC1)C(O)=O","InChI=1S/C20H36N4O4/c21-11-5-4-10-16(19(26)27)22-20(28)23-17(14-15-8-2-1-3-9-15)18(25)24-12-6-7-13-24/h15-17H,1-14,21H2,(H,26,27)(H2,22,23,28)/t16-,17+/m0/s1","GJAAVXDJHXJNFO-DLBZAZTESA-N",null,59000]
[1201,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144326","Nc1ncc(CC(C(O)=O)c2cnc[nH]2)cn1","InChI=1S/C10H11N5O2/c11-10-13-2-6(3-14-10)1-7(9(16)17)8-4-12-5-15-8/h2-5,7H,1H2,(H,12,15)(H,16,17)(H2,11,13,14)","NJGUDXAPBJKTEW-UHFFFAOYSA-N",null,67000]
[1202,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197571","NCCCC[C@H](NS(=O)(=O)N[C@H](CC1CCCCC1)C(=O)NC1CC2CCC1C2)C(O)=O","InChI=1S/C22H40N4O5S/c23-11-5-4-8-18(22(28)29)25-32(30,31)26-20(13-15-6-2-1-3-7-15)21(27)24-19-14-16-9-10-17(19)12-16/h15-20,25-26H,1-14,23H2,(H,24,27)(H,28,29)/t16?,17?,18-,19?,20+/m0/s1","PZCYVEWXVUJWOV-AXGZHYKBSA-N",null,75000]
[1203,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50100009","OC(=O)C(Cc1ccccc1)c1cnc[nH]1","InChI=1S/C12H12N2O2/c15-12(16)10(11-7-13-8-14-11)6-9-4-2-1-3-5-9/h1-5,7-8,10H,6H2,(H,13,14)(H,15,16)","SDEFAJDBJOMGJE-UHFFFAOYSA-N",null,">100000"]
[1204,"6zp2_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008277","CCc1cnc2CC(CCCN)(CCn12)C(O)=O","InChI=1S/C13H21N3O2/c1-2-10-9-15-11-8-13(12(17)18,4-3-6-14)5-7-16(10)11/h9H,2-8,14H2,1H3,(H,17,18)","LZWVQAPNCQXHEO-UHFFFAOYSA-N",null,">100000"]
[1205,"6zp2_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401900","O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30)","CJPMSUUANYLPET-UHFFFAOYSA-N",null,58]
[1206,"6zp2_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401918","CC(C)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C21H31N7O/c1-14(2)28-13-17(11-25-28)26-21-24-12-18(15-7-8-15)19(27-21)22-9-4-10-23-20(29)16-5-3-6-16/h11-16H,3-10H2,1-2H3,(H,23,29)(H2,22,24,26,27)","MLWMBKMQVQOSSC-UHFFFAOYSA-N",null,81]
[1207,"6zp2_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401903","O=C(NCCCNc1nc(Nc2cccc(Cn3cncn3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H30N8O/c33-23(19-5-2-6-19)27-11-3-10-26-22-21(18-8-9-18)13-28-24(31-22)30-20-7-1-4-17(12-20)14-32-16-25-15-29-32/h1,4,7,12-13,15-16,18-19H,2-3,5-6,8-11,14H2,(H,27,33)(H2,26,28,30,31)","GDYSINUURRPNLP-UHFFFAOYSA-N",null,88]
[1208,"6zp2_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401920","Cc1nn(C)c2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C24H31N7O/c1-15-19-10-9-18(13-21(19)31(2)30-15)28-24-27-14-20(16-7-8-16)22(29-24)25-11-4-12-26-23(32)17-5-3-6-17/h9-10,13-14,16-17H,3-8,11-12H2,1-2H3,(H,26,32)(H2,25,27,28,29)","YQQIVRZPQZTHDO-UHFFFAOYSA-N",null,90]
[1209,"6zp2_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401914","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O/c31-22(17-5-3-6-17)25-12-4-11-24-21-20(16-9-10-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-1-2-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BGULRIZNMKERDJ-UHFFFAOYSA-N",null,93]
[1210,"6zp2_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401916","O=C(NCCCNc1nc(Nc2cnn(c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C21H29N7O/c29-20(15-3-1-4-15)23-10-2-9-22-19-18(14-5-6-14)12-24-21(27-19)26-16-11-25-28(13-16)17-7-8-17/h11-15,17H,1-10H2,(H,23,29)(H2,22,24,26,27)","PLHGRDHBKJDBAW-UHFFFAOYSA-N",null,130]
[1211,"6zp2_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401917","CCn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C20H29N7O/c1-2-27-13-16(11-24-27)25-20-23-12-17(14-7-8-14)18(26-20)21-9-4-10-22-19(28)15-5-3-6-15/h11-15H,2-10H2,1H3,(H,22,28)(H2,21,23,25,26)","ATGOJZIHHQXMBT-UHFFFAOYSA-N",null,140]
[1212,"6zp2_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401927","O=C(NCCCNc1nc(Nc2ccc(cc2)-n2cncn2)ncc1C1CC1)C1CCC1","InChI=1S/C23H28N8O/c32-22(17-3-1-4-17)26-12-2-11-25-21-20(16-5-6-16)13-27-23(30-21)29-18-7-9-19(10-8-18)31-15-24-14-28-31/h7-10,13-17H,1-6,11-12H2,(H,26,32)(H2,25,27,29,30)","UNJQFYGCPVIKPA-UHFFFAOYSA-N",null,150]
[1213,"6zp2_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401899","Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25)","YOFJPZPGHXWQJB-UHFFFAOYSA-N",null,170]
[1214,"6zp2_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401915","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCC2)ncc1C1CC1)C1CCC1","InChI=1S/C22H31N7O/c30-21(16-4-1-5-16)24-11-3-10-23-20-19(15-8-9-15)13-25-22(28-20)27-17-12-26-29(14-17)18-6-2-7-18/h12-16,18H,1-11H2,(H,24,30)(H2,23,25,27,28)","WFLUXPNQSNOSDL-UHFFFAOYSA-N",null,220]
[1215,"6zp2_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401913","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O2/c31-22(17-3-1-4-17)25-10-2-9-24-21-20(16-5-6-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-11-32-12-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BPUHLRZXPRJIDO-UHFFFAOYSA-N",null,280]
[1216,"6zp2_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401921","Cn1ncc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C23H29N7O/c1-30-20-9-8-18(12-17(20)13-27-30)28-23-26-14-19(15-6-7-15)21(29-23)24-10-3-11-25-22(31)16-4-2-5-16/h8-9,12-16H,2-7,10-11H2,1H3,(H,25,31)(H2,24,26,28,29)","ZWBYSALZHQDDEL-UHFFFAOYSA-N",null,380]
[1217,"6zp2_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401925","O=C(NCCCNc1nc(Nc2ccc(nc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C24H33N7O2/c32-23(18-3-1-4-18)26-10-2-9-25-22-20(17-5-6-17)16-28-24(30-22)29-19-7-8-21(27-15-19)31-11-13-33-14-12-31/h7-8,15-18H,1-6,9-14H2,(H,26,32)(H2,25,28,29,30)","OGBCWLLWFKPBKH-UHFFFAOYSA-N",null,490]
[1218,"6zp2_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401902","CN(C)Cc1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C24H34N6O/c1-30(2)16-17-7-11-20(12-8-17)28-24-27-15-21(18-9-10-18)22(29-24)25-13-4-14-26-23(31)19-5-3-6-19/h7-8,11-12,15,18-19H,3-6,9-10,13-14,16H2,1-2H3,(H,26,31)(H2,25,27,28,29)","FVHHRIHFFRQXRD-UHFFFAOYSA-N",null,550]
[1219,"6zp2_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401905","O=C(NCCCNc1nc(Nc2cccc(c2)-c2cnco2)ncc1C1CC1)C1CCC1","InChI=1S/C24H28N6O2/c31-23(17-4-1-5-17)27-11-3-10-26-22-20(16-8-9-16)13-28-24(30-22)29-19-7-2-6-18(12-19)21-14-25-15-32-21/h2,6-7,12-17H,1,3-5,8-11H2,(H,27,31)(H2,26,28,29,30)","DHEGBWHMLXDRTE-UHFFFAOYSA-N",null,560]
[1220,"6zp2_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401922","O=C(NCCCNc1nc(Nc2ccc3CCN(Cc3c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C27H36N6O/c34-26(20-3-1-4-20)29-13-2-12-28-25-24(19-5-6-19)16-30-27(32-25)31-22-8-7-18-11-14-33(23-9-10-23)17-21(18)15-22/h7-8,15-16,19-20,23H,1-6,9-14,17H2,(H,29,34)(H2,28,30,31,32)","MDSQSUYVBCKIKT-UHFFFAOYSA-N",null,570]
[1221,"6zp2_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401904","O=C(NCCCNc1nc(Nc2cccc(c2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-4-1-5-19)27-11-3-10-26-23-22(18-8-9-18)17-28-25(30-23)29-20-6-2-7-21(16-20)31-12-14-33-15-13-31/h2,6-7,16-19H,1,3-5,8-15H2,(H,27,32)(H2,26,28,29,30)","IBJXOEFBZCQHEA-UHFFFAOYSA-N",null,580]
[1222,"6zp2_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401901","CN1CCC(CC1)c1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C27H38N6O/c1-33-16-12-20(13-17-33)19-8-10-23(11-9-19)31-27-30-18-24(21-6-7-21)25(32-27)28-14-3-15-29-26(34)22-4-2-5-22/h8-11,18,20-22H,2-7,12-17H2,1H3,(H,29,34)(H2,28,30,31,32)","KDVSDCOOYFNFIM-UHFFFAOYSA-N",null,660]
[1223,"6zp2_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401926","O=C(NCCCNc1nc(Nc2cccnc2)ncc1C1CC1)C1CCC1","InChI=1S/C20H26N6O/c27-19(15-4-1-5-15)23-11-3-10-22-18-17(14-7-8-14)13-24-20(26-18)25-16-6-2-9-21-12-16/h2,6,9,12-15H,1,3-5,7-8,10-11H2,(H,23,27)(H2,22,24,25,26)","DAAZPAUBEVGXFD-UHFFFAOYSA-N",null,">1000"]
[1224,"6zp2_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401924","O=C(NCCCNc1nc(Nc2ccc(CN3CCCCC3)nc2)ncc1C1CC1)C1CCC1","InChI=1S/C26H37N7O/c34-25(20-6-4-7-20)28-13-5-12-27-24-23(19-8-9-19)17-30-26(32-24)31-21-10-11-22(29-16-21)18-33-14-2-1-3-15-33/h10-11,16-17,19-20H,1-9,12-15,18H2,(H,28,34)(H2,27,30,31,32)","YMKUQCYWRPVRGE-UHFFFAOYSA-N",null,1200]
[1225,"6zp2_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401906","Fc1cccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)c1","InChI=1S/C21H26FN5O/c22-16-6-2-7-17(12-16)26-21-25-13-18(14-8-9-14)19(27-21)23-10-3-11-24-20(28)15-4-1-5-15/h2,6-7,12-15H,1,3-5,8-11H2,(H,24,28)(H2,23,25,26,27)","URECOWLJWSLQCN-UHFFFAOYSA-N",null,1300]
[1226,"6zp2_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401911","CC(C)N1CCC(CC1)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C26H40N8O/c1-18(2)33-13-9-22(10-14-33)34-17-21(15-30-34)31-26-29-16-23(19-7-8-19)24(32-26)27-11-4-12-28-25(35)20-5-3-6-20/h15-20,22H,3-14H2,1-2H3,(H,28,35)(H2,27,29,31,32)","MJCWEXGCJMNQGR-UHFFFAOYSA-N",null,3000]
[1227,"6zp2_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401912","O=C(NCCCNc1nc(Nc2cnn(CCN3CCOCC3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H36N8O2/c33-23(19-3-1-4-19)26-8-2-7-25-22-21(18-5-6-18)16-27-24(30-22)29-20-15-28-32(17-20)10-9-31-11-13-34-14-12-31/h15-19H,1-14H2,(H,26,33)(H2,25,27,29,30)","OOXCKYWNRURMMA-UHFFFAOYSA-N",null,9000]
[1228,"7dzw_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401900","O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30)","CJPMSUUANYLPET-UHFFFAOYSA-N",null,58]
[1229,"7dzw_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401918","CC(C)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C21H31N7O/c1-14(2)28-13-17(11-25-28)26-21-24-12-18(15-7-8-15)19(27-21)22-9-4-10-23-20(29)16-5-3-6-16/h11-16H,3-10H2,1-2H3,(H,23,29)(H2,22,24,26,27)","MLWMBKMQVQOSSC-UHFFFAOYSA-N",null,81]
[1230,"7dzw_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401903","O=C(NCCCNc1nc(Nc2cccc(Cn3cncn3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H30N8O/c33-23(19-5-2-6-19)27-11-3-10-26-22-21(18-8-9-18)13-28-24(31-22)30-20-7-1-4-17(12-20)14-32-16-25-15-29-32/h1,4,7,12-13,15-16,18-19H,2-3,5-6,8-11,14H2,(H,27,33)(H2,26,28,30,31)","GDYSINUURRPNLP-UHFFFAOYSA-N",null,88]
[1231,"7dzw_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401920","Cc1nn(C)c2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C24H31N7O/c1-15-19-10-9-18(13-21(19)31(2)30-15)28-24-27-14-20(16-7-8-16)22(29-24)25-11-4-12-26-23(32)17-5-3-6-17/h9-10,13-14,16-17H,3-8,11-12H2,1-2H3,(H,26,32)(H2,25,27,28,29)","YQQIVRZPQZTHDO-UHFFFAOYSA-N",null,90]
[1232,"7dzw_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401914","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O/c31-22(17-5-3-6-17)25-12-4-11-24-21-20(16-9-10-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-1-2-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BGULRIZNMKERDJ-UHFFFAOYSA-N",null,93]
[1233,"7dzw_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401916","O=C(NCCCNc1nc(Nc2cnn(c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C21H29N7O/c29-20(15-3-1-4-15)23-10-2-9-22-19-18(14-5-6-14)12-24-21(27-19)26-16-11-25-28(13-16)17-7-8-17/h11-15,17H,1-10H2,(H,23,29)(H2,22,24,26,27)","PLHGRDHBKJDBAW-UHFFFAOYSA-N",null,130]
[1234,"7dzw_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401917","CCn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C20H29N7O/c1-2-27-13-16(11-24-27)25-20-23-12-17(14-7-8-14)18(26-20)21-9-4-10-22-19(28)15-5-3-6-15/h11-15H,2-10H2,1H3,(H,22,28)(H2,21,23,25,26)","ATGOJZIHHQXMBT-UHFFFAOYSA-N",null,140]
[1235,"7dzw_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401927","O=C(NCCCNc1nc(Nc2ccc(cc2)-n2cncn2)ncc1C1CC1)C1CCC1","InChI=1S/C23H28N8O/c32-22(17-3-1-4-17)26-12-2-11-25-21-20(16-5-6-16)13-27-23(30-21)29-18-7-9-19(10-8-18)31-15-24-14-28-31/h7-10,13-17H,1-6,11-12H2,(H,26,32)(H2,25,27,29,30)","UNJQFYGCPVIKPA-UHFFFAOYSA-N",null,150]
[1236,"7dzw_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401899","Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25)","YOFJPZPGHXWQJB-UHFFFAOYSA-N",null,170]
[1237,"7dzw_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401915","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCC2)ncc1C1CC1)C1CCC1","InChI=1S/C22H31N7O/c30-21(16-4-1-5-16)24-11-3-10-23-20-19(15-8-9-15)13-25-22(28-20)27-17-12-26-29(14-17)18-6-2-7-18/h12-16,18H,1-11H2,(H,24,30)(H2,23,25,27,28)","WFLUXPNQSNOSDL-UHFFFAOYSA-N",null,220]
[1238,"7dzw_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401913","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O2/c31-22(17-3-1-4-17)25-10-2-9-24-21-20(16-5-6-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-11-32-12-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BPUHLRZXPRJIDO-UHFFFAOYSA-N",null,280]
[1239,"7dzw_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401921","Cn1ncc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C23H29N7O/c1-30-20-9-8-18(12-17(20)13-27-30)28-23-26-14-19(15-6-7-15)21(29-23)24-10-3-11-25-22(31)16-4-2-5-16/h8-9,12-16H,2-7,10-11H2,1H3,(H,25,31)(H2,24,26,28,29)","ZWBYSALZHQDDEL-UHFFFAOYSA-N",null,380]
[1240,"7dzw_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401925","O=C(NCCCNc1nc(Nc2ccc(nc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C24H33N7O2/c32-23(18-3-1-4-18)26-10-2-9-25-22-20(17-5-6-17)16-28-24(30-22)29-19-7-8-21(27-15-19)31-11-13-33-14-12-31/h7-8,15-18H,1-6,9-14H2,(H,26,32)(H2,25,28,29,30)","OGBCWLLWFKPBKH-UHFFFAOYSA-N",null,490]
[1241,"7dzw_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401902","CN(C)Cc1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C24H34N6O/c1-30(2)16-17-7-11-20(12-8-17)28-24-27-15-21(18-9-10-18)22(29-24)25-13-4-14-26-23(31)19-5-3-6-19/h7-8,11-12,15,18-19H,3-6,9-10,13-14,16H2,1-2H3,(H,26,31)(H2,25,27,28,29)","FVHHRIHFFRQXRD-UHFFFAOYSA-N",null,550]
[1242,"7dzw_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401905","O=C(NCCCNc1nc(Nc2cccc(c2)-c2cnco2)ncc1C1CC1)C1CCC1","InChI=1S/C24H28N6O2/c31-23(17-4-1-5-17)27-11-3-10-26-22-20(16-8-9-16)13-28-24(30-22)29-19-7-2-6-18(12-19)21-14-25-15-32-21/h2,6-7,12-17H,1,3-5,8-11H2,(H,27,31)(H2,26,28,29,30)","DHEGBWHMLXDRTE-UHFFFAOYSA-N",null,560]
[1243,"7dzw_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401922","O=C(NCCCNc1nc(Nc2ccc3CCN(Cc3c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C27H36N6O/c34-26(20-3-1-4-20)29-13-2-12-28-25-24(19-5-6-19)16-30-27(32-25)31-22-8-7-18-11-14-33(23-9-10-23)17-21(18)15-22/h7-8,15-16,19-20,23H,1-6,9-14,17H2,(H,29,34)(H2,28,30,31,32)","MDSQSUYVBCKIKT-UHFFFAOYSA-N",null,570]
[1244,"7dzw_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401904","O=C(NCCCNc1nc(Nc2cccc(c2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-4-1-5-19)27-11-3-10-26-23-22(18-8-9-18)17-28-25(30-23)29-20-6-2-7-21(16-20)31-12-14-33-15-13-31/h2,6-7,16-19H,1,3-5,8-15H2,(H,27,32)(H2,26,28,29,30)","IBJXOEFBZCQHEA-UHFFFAOYSA-N",null,580]
[1245,"7dzw_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401901","CN1CCC(CC1)c1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C27H38N6O/c1-33-16-12-20(13-17-33)19-8-10-23(11-9-19)31-27-30-18-24(21-6-7-21)25(32-27)28-14-3-15-29-26(34)22-4-2-5-22/h8-11,18,20-22H,2-7,12-17H2,1H3,(H,29,34)(H2,28,30,31,32)","KDVSDCOOYFNFIM-UHFFFAOYSA-N",null,660]
[1246,"7dzw_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401926","O=C(NCCCNc1nc(Nc2cccnc2)ncc1C1CC1)C1CCC1","InChI=1S/C20H26N6O/c27-19(15-4-1-5-15)23-11-3-10-22-18-17(14-7-8-14)13-24-20(26-18)25-16-6-2-9-21-12-16/h2,6,9,12-15H,1,3-5,7-8,10-11H2,(H,23,27)(H2,22,24,25,26)","DAAZPAUBEVGXFD-UHFFFAOYSA-N",null,">1000"]
[1247,"7dzw_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401924","O=C(NCCCNc1nc(Nc2ccc(CN3CCCCC3)nc2)ncc1C1CC1)C1CCC1","InChI=1S/C26H37N7O/c34-25(20-6-4-7-20)28-13-5-12-27-24-23(19-8-9-19)17-30-26(32-24)31-21-10-11-22(29-16-21)18-33-14-2-1-3-15-33/h10-11,16-17,19-20H,1-9,12-15,18H2,(H,28,34)(H2,27,30,31,32)","YMKUQCYWRPVRGE-UHFFFAOYSA-N",null,1200]
[1248,"7dzw_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401906","Fc1cccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)c1","InChI=1S/C21H26FN5O/c22-16-6-2-7-17(12-16)26-21-25-13-18(14-8-9-14)19(27-21)23-10-3-11-24-20(28)15-4-1-5-15/h2,6-7,12-15H,1,3-5,8-11H2,(H,24,28)(H2,23,25,26,27)","URECOWLJWSLQCN-UHFFFAOYSA-N",null,1300]
[1249,"7dzw_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401911","CC(C)N1CCC(CC1)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C26H40N8O/c1-18(2)33-13-9-22(10-14-33)34-17-21(15-30-34)31-26-29-16-23(19-7-8-19)24(32-26)27-11-4-12-28-25(35)20-5-3-6-20/h15-20,22H,3-14H2,1-2H3,(H,28,35)(H2,27,29,31,32)","MJCWEXGCJMNQGR-UHFFFAOYSA-N",null,3000]
[1250,"7dzw_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401912","O=C(NCCCNc1nc(Nc2cnn(CCN3CCOCC3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H36N8O2/c33-23(19-3-1-4-19)26-8-2-7-25-22-21(18-5-6-18)16-27-24(30-22)29-20-15-28-32(17-20)10-9-31-11-13-34-14-12-31/h15-19H,1-14H2,(H,26,33)(H2,25,27,29,30)","OOXCKYWNRURMMA-UHFFFAOYSA-N",null,9000]
[1251,"7dzw_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50046145","CCCCCCCCCCCCCCC[C@@]1(O)C[N+](C)(C)C[C@@H](CC([O-])=O)O1","InChI=1S/C23H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)20-24(2,3)19-21(28-23)18-22(25)26/h21,27H,4-20H2,1-3H3/t21-,23+/m1/s1","SPDGRWIGMIHIAC-GGAORHGYSA-N",160]
[1252,"7dzw_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50046145","CCCCCCCCCCCCCCC[C@@]1(O)C[N+](C)(C)C[C@@H](CC([O-])=O)O1","InChI=1S/C23H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)20-24(2,3)19-21(28-23)18-22(25)26/h21,27H,4-20H2,1-3H3/t21-,23+/m1/s1","SPDGRWIGMIHIAC-GGAORHGYSA-N",2800]
[1253,"7dzw_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50046145","CCCCCCCCCCCCCCC[C@@]1(O)C[N+](C)(C)C[C@@H](CC([O-])=O)O1","InChI=1S/C23H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)20-24(2,3)19-21(28-23)18-22(25)26/h21,27H,4-20H2,1-3H3/t21-,23+/m1/s1","SPDGRWIGMIHIAC-GGAORHGYSA-N",4200]
[1254,"7dzw_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403033","CCCCCCCCCCCCCCCC(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C","InChI=1S/C23H46N2O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26)24-21(19-23(27)28)20-25(2,3)4/h21H,5-20H2,1-4H3,(H-,24,26,27,28)/t21-/m1/s1","IUBZDMWVMKIBIS-OAQYLSRUSA-N",null,140]
[1255,"7dzw_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50122839","CCCCCCCCCCCCCCNC(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C","InChI=1S/C22H45N3O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-23-22(28)24-20(18-21(26)27)19-25(2,3)4/h20H,5-19H2,1-4H3,(H2-,23,24,26,27,28)/t20-/m1/s1","BMZYTDRMCBZVNH-HXUWFJFHSA-N",null,160]
[1256,"7dzw_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403040","COc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccc(cc12)C(=O)Nc1ccc(cc1)C(O)=O","InChI=1S/C23H19ClN2O6S/c1-32-20-9-6-17(24)13-21(20)33(30,31)26-11-10-14-2-3-16(12-19(14)26)22(27)25-18-7-4-15(5-8-18)23(28)29/h2-9,12-13H,10-11H2,1H3,(H,25,27)(H,28,29)","SPZKHICEEDMLAD-UHFFFAOYSA-N",null,740]
[1257,"7dzw_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403038","COc1ccc(C)cc1S(=O)(=O)N1CCCc2ccc(cc12)C(=O)Nc1ccc(CC(O)=O)cc1","InChI=1S/C26H26N2O6S/c1-17-5-12-23(34-2)24(14-17)35(32,33)28-13-3-4-19-8-9-20(16-22(19)28)26(31)27-21-10-6-18(7-11-21)15-25(29)30/h5-12,14,16H,3-4,13,15H2,1-2H3,(H,27,31)(H,29,30)","SQOXYOBZJLLXKB-UHFFFAOYSA-N",null,2800]
[1258,"7dzw_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403034","C[N+](C)(C)C[C@H](N)CC([O-])=O","InChI=1S/C7H16N2O2/c1-9(2,3)5-6(8)4-7(10)11/h6H,4-5,8H2,1-3H3/t6-/m1/s1","DAWBGYHPBBDHMQ-ZCFIWIBFSA-N",null,3900]
[1259,"7dzw_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403031","OC(=O)C(=O)c1ccc(OCCOc2ccc3ccccc3c2)s1","InChI=1S/C18H14O5S/c19-17(18(20)21)15-7-8-16(24-15)23-10-9-22-14-6-5-12-3-1-2-4-13(12)11-14/h1-8,11H,9-10H2,(H,20,21)","IANOEARWEWNMSC-UHFFFAOYSA-N",null,4700]
[1260,"7dzw_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403037","O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(cs1)-c1ccccn1","InChI=1S/C21H21N3O2S/c25-20(14-26-16-8-2-1-3-9-16)24-13-7-5-11-19(24)21-23-18(15-27-21)17-10-4-6-12-22-17/h1-4,6,8-10,12,15,19H,5,7,11,13-14H2/t19-/m1/s1","BOUYMYAAZCWWFQ-LJQANCHMSA-N",null,4800]
[1261,"7dzw_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403032","CCCCCCOc1cccc(OCCCCNC(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C)c1","InChI=1S/C24H41N3O5/c1-5-6-7-9-15-31-21-12-11-13-22(18-21)32-16-10-8-14-25-24(30)26-20(17-23(28)29)19-27(2,3)4/h11-13,18,20H,5-10,14-17,19H2,1-4H3,(H2-,25,26,28,29,30)/t20-/m1/s1","PIIALPQJIBSJRM-HXUWFJFHSA-N",null,5400]
[1262,"7dzw_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM61402","C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1","InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2","CYXKNKQEMFBLER-UHFFFAOYSA-N",null,72800]
[1263,"7dzw_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50118093","OC(=O)C(=O)c1ccc(O)cc1","InChI=1S/C8H6O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,9H,(H,11,12)","KXFJZKUFXHWWAJ-UHFFFAOYSA-N",null,">100000"]
[1264,"7dzw_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM18957","CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1","InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3","IYIKLHRQXLHMJQ-UHFFFAOYSA-N",null,">100000"]
[1265,"7dzw_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403035","N[C@H](C(O)=O)c1ccc(O)cc1","InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1","LJCWONGJFPCTTL-ZETCQYMHSA-N",null,">100000"]
[1266,"7dzw_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM80613","COc1ccc(CN2CCNCC2)c(OC)c1OC","InChI=1S/C14H22N2O3/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3","UHWVSEOVJBQKBE-UHFFFAOYSA-N",null,">100000"]
[1267,"7dzw_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403039","COc1ccc(Cl)cc1S(=O)(=O)N1CC(Oc2ccc(cc12)C(=O)Nc1cccc(F)c1)C(O)=O","InChI=1S/C23H18ClFN2O7S/c1-33-19-8-6-14(24)10-21(19)35(31,32)27-12-20(23(29)30)34-18-7-5-13(9-17(18)27)22(28)26-16-4-2-3-15(25)11-16/h2-11,20H,12H2,1H3,(H,26,28)(H,29,30)","RMZZHWOSLFWWAJ-UHFFFAOYSA-N",null,">100000"]
[1268,"7dzw_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50284164","CCCCCCCCCCCCCCCC[C@@]1(O)C[N+](C)(C)CCO1","InChI=1S/C22H46NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(24)21-23(2,3)19-20-25-22/h24H,4-21H2,1-3H3/q+1/t22-/m0/s1","YEQJDGNZWPTPII-QFIPXVFZSA-N",null,235000]
[1269,"7dzw_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401900","O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30)","CJPMSUUANYLPET-UHFFFAOYSA-N",null,58]
[1270,"7dzw_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401918","CC(C)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C21H31N7O/c1-14(2)28-13-17(11-25-28)26-21-24-12-18(15-7-8-15)19(27-21)22-9-4-10-23-20(29)16-5-3-6-16/h11-16H,3-10H2,1-2H3,(H,23,29)(H2,22,24,26,27)","MLWMBKMQVQOSSC-UHFFFAOYSA-N",null,81]
[1271,"7dzw_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401903","O=C(NCCCNc1nc(Nc2cccc(Cn3cncn3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H30N8O/c33-23(19-5-2-6-19)27-11-3-10-26-22-21(18-8-9-18)13-28-24(31-22)30-20-7-1-4-17(12-20)14-32-16-25-15-29-32/h1,4,7,12-13,15-16,18-19H,2-3,5-6,8-11,14H2,(H,27,33)(H2,26,28,30,31)","GDYSINUURRPNLP-UHFFFAOYSA-N",null,88]
[1272,"7dzw_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401920","Cc1nn(C)c2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C24H31N7O/c1-15-19-10-9-18(13-21(19)31(2)30-15)28-24-27-14-20(16-7-8-16)22(29-24)25-11-4-12-26-23(32)17-5-3-6-17/h9-10,13-14,16-17H,3-8,11-12H2,1-2H3,(H,26,32)(H2,25,27,28,29)","YQQIVRZPQZTHDO-UHFFFAOYSA-N",null,90]
[1273,"7dzw_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401914","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O/c31-22(17-5-3-6-17)25-12-4-11-24-21-20(16-9-10-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-1-2-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BGULRIZNMKERDJ-UHFFFAOYSA-N",null,93]
[1274,"7dzw_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401916","O=C(NCCCNc1nc(Nc2cnn(c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C21H29N7O/c29-20(15-3-1-4-15)23-10-2-9-22-19-18(14-5-6-14)12-24-21(27-19)26-16-11-25-28(13-16)17-7-8-17/h11-15,17H,1-10H2,(H,23,29)(H2,22,24,26,27)","PLHGRDHBKJDBAW-UHFFFAOYSA-N",null,130]
[1275,"7dzw_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401917","CCn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C20H29N7O/c1-2-27-13-16(11-24-27)25-20-23-12-17(14-7-8-14)18(26-20)21-9-4-10-22-19(28)15-5-3-6-15/h11-15H,2-10H2,1H3,(H,22,28)(H2,21,23,25,26)","ATGOJZIHHQXMBT-UHFFFAOYSA-N",null,140]
[1276,"7dzw_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401927","O=C(NCCCNc1nc(Nc2ccc(cc2)-n2cncn2)ncc1C1CC1)C1CCC1","InChI=1S/C23H28N8O/c32-22(17-3-1-4-17)26-12-2-11-25-21-20(16-5-6-16)13-27-23(30-21)29-18-7-9-19(10-8-18)31-15-24-14-28-31/h7-10,13-17H,1-6,11-12H2,(H,26,32)(H2,25,27,29,30)","UNJQFYGCPVIKPA-UHFFFAOYSA-N",null,150]
[1277,"7dzw_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401899","Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25)","YOFJPZPGHXWQJB-UHFFFAOYSA-N",null,170]
[1278,"7dzw_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401915","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCC2)ncc1C1CC1)C1CCC1","InChI=1S/C22H31N7O/c30-21(16-4-1-5-16)24-11-3-10-23-20-19(15-8-9-15)13-25-22(28-20)27-17-12-26-29(14-17)18-6-2-7-18/h12-16,18H,1-11H2,(H,24,30)(H2,23,25,27,28)","WFLUXPNQSNOSDL-UHFFFAOYSA-N",null,220]
[1279,"7dzw_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401913","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O2/c31-22(17-3-1-4-17)25-10-2-9-24-21-20(16-5-6-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-11-32-12-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BPUHLRZXPRJIDO-UHFFFAOYSA-N",null,280]
[1280,"7dzw_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401921","Cn1ncc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C23H29N7O/c1-30-20-9-8-18(12-17(20)13-27-30)28-23-26-14-19(15-6-7-15)21(29-23)24-10-3-11-25-22(31)16-4-2-5-16/h8-9,12-16H,2-7,10-11H2,1H3,(H,25,31)(H2,24,26,28,29)","ZWBYSALZHQDDEL-UHFFFAOYSA-N",null,380]
[1281,"7dzw_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401925","O=C(NCCCNc1nc(Nc2ccc(nc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C24H33N7O2/c32-23(18-3-1-4-18)26-10-2-9-25-22-20(17-5-6-17)16-28-24(30-22)29-19-7-8-21(27-15-19)31-11-13-33-14-12-31/h7-8,15-18H,1-6,9-14H2,(H,26,32)(H2,25,28,29,30)","OGBCWLLWFKPBKH-UHFFFAOYSA-N",null,490]
[1282,"7dzw_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401902","CN(C)Cc1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C24H34N6O/c1-30(2)16-17-7-11-20(12-8-17)28-24-27-15-21(18-9-10-18)22(29-24)25-13-4-14-26-23(31)19-5-3-6-19/h7-8,11-12,15,18-19H,3-6,9-10,13-14,16H2,1-2H3,(H,26,31)(H2,25,27,28,29)","FVHHRIHFFRQXRD-UHFFFAOYSA-N",null,550]
[1283,"7dzw_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401905","O=C(NCCCNc1nc(Nc2cccc(c2)-c2cnco2)ncc1C1CC1)C1CCC1","InChI=1S/C24H28N6O2/c31-23(17-4-1-5-17)27-11-3-10-26-22-20(16-8-9-16)13-28-24(30-22)29-19-7-2-6-18(12-19)21-14-25-15-32-21/h2,6-7,12-17H,1,3-5,8-11H2,(H,27,31)(H2,26,28,29,30)","DHEGBWHMLXDRTE-UHFFFAOYSA-N",null,560]
[1284,"7dzw_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401922","O=C(NCCCNc1nc(Nc2ccc3CCN(Cc3c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C27H36N6O/c34-26(20-3-1-4-20)29-13-2-12-28-25-24(19-5-6-19)16-30-27(32-25)31-22-8-7-18-11-14-33(23-9-10-23)17-21(18)15-22/h7-8,15-16,19-20,23H,1-6,9-14,17H2,(H,29,34)(H2,28,30,31,32)","MDSQSUYVBCKIKT-UHFFFAOYSA-N",null,570]
[1285,"7dzw_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401904","O=C(NCCCNc1nc(Nc2cccc(c2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-4-1-5-19)27-11-3-10-26-23-22(18-8-9-18)17-28-25(30-23)29-20-6-2-7-21(16-20)31-12-14-33-15-13-31/h2,6-7,16-19H,1,3-5,8-15H2,(H,27,32)(H2,26,28,29,30)","IBJXOEFBZCQHEA-UHFFFAOYSA-N",null,580]
[1286,"7dzw_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401901","CN1CCC(CC1)c1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C27H38N6O/c1-33-16-12-20(13-17-33)19-8-10-23(11-9-19)31-27-30-18-24(21-6-7-21)25(32-27)28-14-3-15-29-26(34)22-4-2-5-22/h8-11,18,20-22H,2-7,12-17H2,1H3,(H,29,34)(H2,28,30,31,32)","KDVSDCOOYFNFIM-UHFFFAOYSA-N",null,660]
[1287,"7dzw_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401926","O=C(NCCCNc1nc(Nc2cccnc2)ncc1C1CC1)C1CCC1","InChI=1S/C20H26N6O/c27-19(15-4-1-5-15)23-11-3-10-22-18-17(14-7-8-14)13-24-20(26-18)25-16-6-2-9-21-12-16/h2,6,9,12-15H,1,3-5,7-8,10-11H2,(H,23,27)(H2,22,24,25,26)","DAAZPAUBEVGXFD-UHFFFAOYSA-N",null,">1000"]
[1288,"7dzw_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401924","O=C(NCCCNc1nc(Nc2ccc(CN3CCCCC3)nc2)ncc1C1CC1)C1CCC1","InChI=1S/C26H37N7O/c34-25(20-6-4-7-20)28-13-5-12-27-24-23(19-8-9-19)17-30-26(32-24)31-21-10-11-22(29-16-21)18-33-14-2-1-3-15-33/h10-11,16-17,19-20H,1-9,12-15,18H2,(H,28,34)(H2,27,30,31,32)","YMKUQCYWRPVRGE-UHFFFAOYSA-N",null,1200]
[1289,"7dzw_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401906","Fc1cccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)c1","InChI=1S/C21H26FN5O/c22-16-6-2-7-17(12-16)26-21-25-13-18(14-8-9-14)19(27-21)23-10-3-11-24-20(28)15-4-1-5-15/h2,6-7,12-15H,1,3-5,8-11H2,(H,24,28)(H2,23,25,26,27)","URECOWLJWSLQCN-UHFFFAOYSA-N",null,1300]
[1290,"7dzw_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401911","CC(C)N1CCC(CC1)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C26H40N8O/c1-18(2)33-13-9-22(10-14-33)34-17-21(15-30-34)31-26-29-16-23(19-7-8-19)24(32-26)27-11-4-12-28-25(35)20-5-3-6-20/h15-20,22H,3-14H2,1-2H3,(H,28,35)(H2,27,29,31,32)","MJCWEXGCJMNQGR-UHFFFAOYSA-N",null,3000]
[1291,"7dzw_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401912","O=C(NCCCNc1nc(Nc2cnn(CCN3CCOCC3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H36N8O2/c33-23(19-3-1-4-19)26-8-2-7-25-22-21(18-5-6-18)16-27-24(30-22)29-20-15-28-32(17-20)10-9-31-11-13-34-14-12-31/h15-19H,1-14H2,(H,26,33)(H2,25,27,29,30)","OOXCKYWNRURMMA-UHFFFAOYSA-N",null,9000]
[1292,"7dzw_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50046145","CCCCCCCCCCCCCCC[C@@]1(O)C[N+](C)(C)C[C@@H](CC([O-])=O)O1","InChI=1S/C23H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)20-24(2,3)19-21(28-23)18-22(25)26/h21,27H,4-20H2,1-3H3/t21-,23+/m1/s1","SPDGRWIGMIHIAC-GGAORHGYSA-N",160]
[1293,"7dzw_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50046145","CCCCCCCCCCCCCCC[C@@]1(O)C[N+](C)(C)C[C@@H](CC([O-])=O)O1","InChI=1S/C23H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)20-24(2,3)19-21(28-23)18-22(25)26/h21,27H,4-20H2,1-3H3/t21-,23+/m1/s1","SPDGRWIGMIHIAC-GGAORHGYSA-N",2800]
[1294,"7dzw_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50046145","CCCCCCCCCCCCCCC[C@@]1(O)C[N+](C)(C)C[C@@H](CC([O-])=O)O1","InChI=1S/C23H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)20-24(2,3)19-21(28-23)18-22(25)26/h21,27H,4-20H2,1-3H3/t21-,23+/m1/s1","SPDGRWIGMIHIAC-GGAORHGYSA-N",4200]
[1295,"7dzw_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403033","CCCCCCCCCCCCCCCC(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C","InChI=1S/C23H46N2O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26)24-21(19-23(27)28)20-25(2,3)4/h21H,5-20H2,1-4H3,(H-,24,26,27,28)/t21-/m1/s1","IUBZDMWVMKIBIS-OAQYLSRUSA-N",null,140]
[1296,"7dzw_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50122839","CCCCCCCCCCCCCCNC(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C","InChI=1S/C22H45N3O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-23-22(28)24-20(18-21(26)27)19-25(2,3)4/h20H,5-19H2,1-4H3,(H2-,23,24,26,27,28)/t20-/m1/s1","BMZYTDRMCBZVNH-HXUWFJFHSA-N",null,160]
[1297,"7dzw_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403040","COc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccc(cc12)C(=O)Nc1ccc(cc1)C(O)=O","InChI=1S/C23H19ClN2O6S/c1-32-20-9-6-17(24)13-21(20)33(30,31)26-11-10-14-2-3-16(12-19(14)26)22(27)25-18-7-4-15(5-8-18)23(28)29/h2-9,12-13H,10-11H2,1H3,(H,25,27)(H,28,29)","SPZKHICEEDMLAD-UHFFFAOYSA-N",null,740]
[1298,"7dzw_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403038","COc1ccc(C)cc1S(=O)(=O)N1CCCc2ccc(cc12)C(=O)Nc1ccc(CC(O)=O)cc1","InChI=1S/C26H26N2O6S/c1-17-5-12-23(34-2)24(14-17)35(32,33)28-13-3-4-19-8-9-20(16-22(19)28)26(31)27-21-10-6-18(7-11-21)15-25(29)30/h5-12,14,16H,3-4,13,15H2,1-2H3,(H,27,31)(H,29,30)","SQOXYOBZJLLXKB-UHFFFAOYSA-N",null,2800]
[1299,"7dzw_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403034","C[N+](C)(C)C[C@H](N)CC([O-])=O","InChI=1S/C7H16N2O2/c1-9(2,3)5-6(8)4-7(10)11/h6H,4-5,8H2,1-3H3/t6-/m1/s1","DAWBGYHPBBDHMQ-ZCFIWIBFSA-N",null,3900]
[1300,"7dzw_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403031","OC(=O)C(=O)c1ccc(OCCOc2ccc3ccccc3c2)s1","InChI=1S/C18H14O5S/c19-17(18(20)21)15-7-8-16(24-15)23-10-9-22-14-6-5-12-3-1-2-4-13(12)11-14/h1-8,11H,9-10H2,(H,20,21)","IANOEARWEWNMSC-UHFFFAOYSA-N",null,4700]
[1301,"7dzw_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403037","O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(cs1)-c1ccccn1","InChI=1S/C21H21N3O2S/c25-20(14-26-16-8-2-1-3-9-16)24-13-7-5-11-19(24)21-23-18(15-27-21)17-10-4-6-12-22-17/h1-4,6,8-10,12,15,19H,5,7,11,13-14H2/t19-/m1/s1","BOUYMYAAZCWWFQ-LJQANCHMSA-N",null,4800]
[1302,"7dzw_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403032","CCCCCCOc1cccc(OCCCCNC(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C)c1","InChI=1S/C24H41N3O5/c1-5-6-7-9-15-31-21-12-11-13-22(18-21)32-16-10-8-14-25-24(30)26-20(17-23(28)29)19-27(2,3)4/h11-13,18,20H,5-10,14-17,19H2,1-4H3,(H2-,25,26,28,29,30)/t20-/m1/s1","PIIALPQJIBSJRM-HXUWFJFHSA-N",null,5400]
[1303,"7dzw_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM61402","C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1","InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2","CYXKNKQEMFBLER-UHFFFAOYSA-N",null,72800]
[1304,"7dzw_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50118093","OC(=O)C(=O)c1ccc(O)cc1","InChI=1S/C8H6O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,9H,(H,11,12)","KXFJZKUFXHWWAJ-UHFFFAOYSA-N",null,">100000"]
[1305,"7dzw_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM18957","CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1","InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3","IYIKLHRQXLHMJQ-UHFFFAOYSA-N",null,">100000"]
[1306,"7dzw_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403035","N[C@H](C(O)=O)c1ccc(O)cc1","InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1","LJCWONGJFPCTTL-ZETCQYMHSA-N",null,">100000"]
[1307,"7dzw_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM80613","COc1ccc(CN2CCNCC2)c(OC)c1OC","InChI=1S/C14H22N2O3/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3","UHWVSEOVJBQKBE-UHFFFAOYSA-N",null,">100000"]
[1308,"7dzw_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403039","COc1ccc(Cl)cc1S(=O)(=O)N1CC(Oc2ccc(cc12)C(=O)Nc1cccc(F)c1)C(O)=O","InChI=1S/C23H18ClFN2O7S/c1-33-19-8-6-14(24)10-21(19)35(31,32)27-12-20(23(29)30)34-18-7-5-13(9-17(18)27)22(28)26-16-4-2-3-15(25)11-16/h2-11,20H,12H2,1H3,(H,26,28)(H,29,30)","RMZZHWOSLFWWAJ-UHFFFAOYSA-N",null,">100000"]
[1309,"7dzw_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50284164","CCCCCCCCCCCCCCCC[C@@]1(O)C[N+](C)(C)CCO1","InChI=1S/C22H46NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(24)21-23(2,3)19-20-25-22/h24H,4-21H2,1-3H3/q+1/t22-/m0/s1","YEQJDGNZWPTPII-QFIPXVFZSA-N",null,235000]
[1310,"7chb_C",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50173286","CNC(=O)NC(N)=NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",17]
[1311,"7chb_C",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",37000,126000,{"$nulls":4},5.5,"37.00 C"]
[1312,"7chb_C",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50559069","CNC(=O)NC(=N)NCCC[C@H]1CN(C)[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(=O)N[C@H](CC(=O)N[C@H](C)C(=O)N1)C(O)=O)C(O)=O","InChI=1S/C30H45N9O9/c1-17-25(42)35-19(10-7-13-33-29(31)38-30(48)32-2)16-39(3)22(14-18-8-5-4-6-9-18)26(43)37-20(27(44)45)11-12-23(40)36-21(28(46)47)15-24(41)34-17/h4-6,8-9,17,19-22H,7,10-16H2,1-3H3,(H,34,41)(H,35,42)(H,36,40)(H,37,43)(H,44,45)(H,46,47)(H4,31,32,33,38,48)/t17-,19+,20-,21-,22+/m1/s1","DHHVTIQSEZUVAG-BLCKVISQSA-N",null,27]
[1313,"7chb_C",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,27,{"$nulls":4},5.5]
[1314,"7chb_C",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM81508","Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12","InChI=1S/C17H20N8O4/c1-20-8-18-12-10(20)14(26)24(16(28)22(12)3)6-5-7-25-15(27)11-13(19-9-21(11)2)23(4)17(25)29/h8-9H,5-7H2,1-4H3","KEPIKAFUZRKZMT-UHFFFAOYSA-N",null,200]
[1315,"7chb_C",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,500,{"$nulls":4},5.5,"37.00 C"]
[1316,"7chb_C",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,1100,{"$nulls":4},5.5,"37.00 C"]
[1317,"7chb_C",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM81341","CNC(=O)NC(N)=NCCC[C@H](NC(=O)[C@@H](C)NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(O)=O","InChI=1S/C27H40N8O9/c1-15(31-16(2)36)22(39)32-18(11-8-12-30-26(28)34-27(44)29-3)24(41)35(4)20(13-17-9-6-5-7-10-17)23(40)33-19(25(42)43)14-21(37)38/h5-7,9-10,15,18-20H,8,11-14H2,1-4H3,(H,31,36)(H,32,39)(H,33,40)(H,37,38)(H,42,43)(H4,28,29,30,34,44)/t15-,18+,19+,20+/m1/s1","SJHMDURLSNWSOY-TTYHFUOFSA-N",null,4300,{"$nulls":4},5.5]
[1318,"7chb_C",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50388141","Cn1cnc2n(C)c(=O)n(CCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12","InChI=1S/C16H18N8O4/c1-19-7-17-11-9(19)13(25)23(15(27)21(11)3)5-6-24-14(26)10-12(18-8-20(10)2)22(4)16(24)28/h7-8H,5-6H2,1-4H3","DHOOHIKQTUGDOW-UHFFFAOYSA-N",null,4800]
[1319,"7chb_C",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM81342","CNC(=O)NC(N)=NCCC[C@H](NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(O)=O","InChI=1S/C24H35N7O8/c1-14(32)28-16(10-7-11-27-23(25)30-24(39)26-2)21(36)31(3)18(12-15-8-5-4-6-9-15)20(35)29-17(22(37)38)13-19(33)34/h4-6,8-9,16-18H,7,10-13H2,1-3H3,(H,28,32)(H,29,35)(H,33,34)(H,37,38)(H4,25,26,27,30,39)/t16-,17-,18-/m0/s1","UFMHANUUWPWJKF-BZSNNMDCSA-N",null,5100,{"$nulls":4},5.5]
[1320,"7chb_C",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50388143","Cn1cnc2n(C)c(=O)n(CCCCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12","InChI=1S/C19H24N8O4/c1-22-10-20-14-12(22)16(28)26(18(30)24(14)3)8-6-5-7-9-27-17(29)13-15(21-11-23(13)2)25(4)19(27)31/h10-11H,5-9H2,1-4H3","YJGXPSISVGOKLP-UHFFFAOYSA-N",null,5700]
[1321,"7chb_C",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50388142","Cn1cnc2n(C)c(=O)n(CCCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12","InChI=1S/C18H22N8O4/c1-21-9-19-13-11(21)15(27)25(17(29)23(13)3)7-5-6-8-26-16(28)12-14(20-10-22(12)2)24(4)18(26)30/h9-10H,5-8H2,1-4H3","PXFLHKVXISJBOA-UHFFFAOYSA-N",null,9000]
[1322,"7chb_C",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50257243","CNC(=O)NC(N)=NCCC[C@H](NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(O)=O","InChI=1S/C20H30N6O5/c1-13(27)24-15(10-7-11-23-19(21)25-20(31)22-2)17(28)26(3)16(18(29)30)12-14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-12H2,1-3H3,(H,24,27)(H,29,30)(H4,21,22,23,25,31)/t15-,16-/m0/s1","NXHZAKRRBAPHDQ-HOTGVXAUSA-N",null,12000,{"$nulls":4},5.5]
[1323,"7chb_C",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM81343","CNC(=O)NC(N)=NCCC[C@H](NC(C)=O)C(=O)NC","InChI=1S/C11H22N6O3/c1-7(18)16-8(9(19)13-2)5-4-6-15-10(12)17-11(20)14-3/h8H,4-6H2,1-3H3,(H,13,19)(H,16,18)(H4,12,14,15,17,20)/t8-/m0/s1","IHUKVJKKTBLTEE-QMMMGPOBSA-N",null,81000,{"$nulls":4},5.5]
[1324,"7chb_C",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10849","Cn1cnc2n(C)c(=O)n(C)c(=O)c12","InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3","RYYVLZVUVIJVGH-UHFFFAOYSA-N",null,469000,{"$nulls":4},5.5,"37.00 C"]
[1325,"7chb_C",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50559066","CNC(=N)NC(=O)NC","InChI=1S/C4H10N4O/c1-6-3(5)8-4(9)7-2/h1-2H3,(H4,5,6,7,8,9)","KGCIDHJBLPVUNN-UHFFFAOYSA-N",null,500000]
[1326,"7chb_C",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM81344","CNC(=O)NC(N)=NC","InChI=1S/C4H10N4O/c1-6-3(5)8-4(9)7-2/h1-2H3,(H4,5,6,7,8,9)","KGCIDHJBLPVUNN-UHFFFAOYSA-N",null,500000,{"$nulls":4},5.5]
[1327,"7chb_C",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10847","Cn1c2nc[nH]c2c(=O)n(C)c1=O","InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)","ZFXYFBGIUFBOJW-UHFFFAOYSA-N",null,1500000,{"$nulls":4},5.5,"37.00 C"]
[1328,"7chb_C",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,460]
[1329,"7chb_C",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,810]
[1330,"7chb_C",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,43000]
[1331,"7chb_C",0.3,"Spike protein S2","Endochitinase B1 [A217G]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,77000]
[1332,"7chb_C",0.3,"Spike protein S3","Endochitinase B1 [A217G]","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,2840]
[1333,"7chb_C",0.3,"Spike protein S4","Endochitinase B1 [A217G]","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,4240]
[1334,"7chb_C",0.3,"Spike protein S5","Endochitinase B1 [D175A]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,100000]
[1335,"7chb_C",0.3,"Spike protein S6","Endochitinase B1 [D175A]","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,3600]
[1336,"7chb_C",0.3,"Spike protein S7","Endochitinase B1 [D175A]","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,3810]
[1337,"7chb_C",0.3,"Spike protein S8","Endochitinase B1 [D246A]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,62000]
[1338,"7chb_C",0.3,"Spike protein S9","Endochitinase B1 [E322A]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,45000]
[1339,"7chb_C",0.3,"Spike protein S10","Endochitinase B1 [E322A]","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,2930]
[1340,"7chb_C",0.3,"Spike protein S11","Endochitinase B1 [E322A]","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,1370]
[1341,"7chb_C",0.3,"Spike protein S12","Endochitinase B1 [M243A]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,18000]
[1342,"7chb_C",0.3,"Spike protein S13","Endochitinase B1 [M243A]","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,9390]
[1343,"7chb_C",0.3,"Spike protein S14","Endochitinase B1 [M243A]","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,1730]
[1344,"7chb_C",0.3,"Spike protein S15","Endochitinase B1 [E177A]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,36000]
[1345,"7chb_C",0.3,"Spike protein S16","Endochitinase B1 [R301K]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,17000]
[1346,"7chb_C",0.3,"Spike protein S17","Endochitinase B1 [R301K]","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,1020]
[1347,"7chb_C",0.3,"Spike protein S18","Endochitinase B1 [R301K]","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,2160]
[1348,"7chb_C",0.3,"Spike protein S19","Endochitinase B1 [T138A]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,65000]
[1349,"7chb_C",0.3,"Spike protein S20","Endochitinase B1 [T138A]","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,3040]
[1350,"7chb_C",0.3,"Spike protein S21","Endochitinase B1 [T138A]","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,1210]
[1351,"7chb_C",0.3,"Spike protein S22","Endochitinase B1 [Y245F]","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,5570]
[1352,"7chb_C",0.3,"Spike protein S23","Endochitinase B1 [Y245F]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,64000]
[1353,"7chb_C",0.3,"Spike protein S24","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25460","OC(=O)CS(=O)c1ccc2-c3ccccc3C(=O)c3cccc1c23","InChI=1S/C19H12O4S/c20-17(21)10-24(23)16-9-8-12-11-4-1-2-5-13(11)19(22)15-7-3-6-14(16)18(12)15/h1-9H,10H2,(H,20,21)","WUJCZHVABXHBKL-UHFFFAOYSA-N",null,null,180350]
[1354,"7chb_C",0.3,"Spike protein S25","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25462","[O-][N+](=O)c1cc2C(=O)c3ccccc3-c2cc1[N+]([O-])=O","InChI=1S/C13H6N2O5/c16-13-8-4-2-1-3-7(8)9-5-11(14(17)18)12(15(19)20)6-10(9)13/h1-6H","BTCGQAJWZRCLRP-UHFFFAOYSA-N",null,null,37110]
[1355,"7chb_C",0.3,"Spike protein S26","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25463","OC(=O)CSc1nnc2c3ccccc3c3ccccc3c2n1","InChI=1S/C17H11N3O2S/c21-14(22)9-23-17-18-15-12-7-3-1-5-10(12)11-6-2-4-8-13(11)16(15)19-20-17/h1-8H,9H2,(H,21,22)","XZGDBVGWDJBZRI-UHFFFAOYSA-N",null,null,46850]
[1356,"7chb_C",0.3,"Spike protein S27","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25464","Nc1nc(Sc2ccc([N+]([O-])=O)c3nonc23)c2[nH]cnc2n1","InChI=1S/C11H6N8O3S/c12-11-15-9-8(13-3-14-9)10(16-11)23-5-2-1-4(19(20)21)6-7(5)18-22-17-6/h1-3H,(H3,12,13,14,15,16)","NPXXCZXQTLRXTP-UHFFFAOYSA-N",null,null,15190]
[1357,"7chb_C",0.3,"Spike protein S28","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25469","[O-][N+](=O)c1ccc(Sc2cccc[n+]2[O-])c2nonc12","InChI=1S/C11H6N4O4S/c16-14-6-2-1-3-9(14)20-8-5-4-7(15(17)18)10-11(8)13-19-12-10/h1-6H","ICCFXXDUYSPKOL-UHFFFAOYSA-N",null,null,19510]
[1358,"7chb_C",0.3,"Spike protein S29","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25466","CC(=O)Nc1cc2C(=O)c3ccccc3-c2cc1[N+]([O-])=O","InChI=1S/C15H10N2O4/c1-8(18)16-13-6-12-11(7-14(13)17(20)21)9-4-2-3-5-10(9)15(12)19/h2-7H,1H3,(H,16,18)","NKZAKQSPBYLXCN-UHFFFAOYSA-N",null,null,31790]
[1359,"7chb_C",0.3,"Spike protein S30","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25467","[O-][N+](=O)c1cc2C(=O)c3ccccc3-c2c(c1)[N+]([O-])=O","InChI=1S/C13H6N2O5/c16-13-9-4-2-1-3-8(9)12-10(13)5-7(14(17)18)6-11(12)15(19)20/h1-6H","HUNDKIPOXXHMOS-UHFFFAOYSA-N",null,null,48110]
[1360,"7chb_C",0.3,"Spike protein S31","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25468","[O-][N+](=O)c1cc2C(=O)c3cc(F)ccc3-c2cc1F","InChI=1S/C13H5F2NO3/c14-6-1-2-7-8-4-11(15)12(16(18)19)5-10(8)13(17)9(7)3-6/h1-5H","DYURKAXDBWRFLK-UHFFFAOYSA-N",null,null,44590]
[1361,"7chb_C",0.3,"Spike protein S32","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM22858","[O-][N+](=O)c1ccc-2c(c1)C(=O)C(=O)c1ccccc-21","InChI=1S/C14H7NO4/c16-13-11-4-2-1-3-9(11)10-6-5-8(15(18)19)7-12(10)14(13)17/h1-7H","KNAXWOBOCVVMST-UHFFFAOYSA-N",null,null,6810]
[1362,"7chb_C",0.3,"Spike protein S33","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25465","CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@@]3(C)CC[C@H](O)C[C@]33C=C[C@]21C(C3C(O)=O)C(O)=O","InChI=1S/C25H32O6/c1-13(26)15-4-5-16-22(15,2)8-7-17-23(3)9-6-14(27)12-24(23)10-11-25(16,17)19(21(30)31)18(24)20(28)29/h7,10-11,14-16,18-19,27H,4-6,8-9,12H2,1-3H3,(H,28,29)(H,30,31)/t14-,15+,16+,18?,19?,22+,23+,24-,25-/m0/s1","NEZTUQCJKXTWFV-JIQJOFIQSA-N",null,null,127190]
[1363,"7chb_C",0.3,"Spike protein S34","Histone-lysine N-methyltransferase ASH1L","Homo sapiens","BDBM50530712","N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1cccc(c1)C(N)=O)C(O)=O","InChI=1S/C24H27N7O6/c25-15(24(35)36)7-6-13(5-4-12-2-1-3-14(8-12)21(27)34)9-16-18(32)19(33)23(37-16)31-11-30-17-20(26)28-10-29-22(17)31/h1-3,8,10-11,13,15-16,18-19,23,32-33H,6-7,9,25H2,(H2,27,34)(H,35,36)(H2,26,28,29)/t13-,15-,16+,18+,19+,23+/m0/s1","QRKSTGPKAQGBDD-GGPTZFPQSA-N",null,">10000"]
[1364,"7chb_C",0.3,"Spike protein S35","Histone-lysine N-methyltransferase ASH1L","Homo sapiens","BDBM50530712","N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1cccc(c1)C(N)=O)C(O)=O","InChI=1S/C24H27N7O6/c25-15(24(35)36)7-6-13(5-4-12-2-1-3-14(8-12)21(27)34)9-16-18(32)19(33)23(37-16)31-11-30-17-20(26)28-10-29-22(17)31/h1-3,8,10-11,13,15-16,18-19,23,32-33H,6-7,9,25H2,(H2,27,34)(H,35,36)(H2,26,28,29)/t13-,15-,16+,18+,19+,23+/m0/s1","QRKSTGPKAQGBDD-GGPTZFPQSA-N",null,">10000"]
[1365,"6z97_A",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401900","O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30)","CJPMSUUANYLPET-UHFFFAOYSA-N",null,58]
[1366,"6z97_A",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401918","CC(C)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C21H31N7O/c1-14(2)28-13-17(11-25-28)26-21-24-12-18(15-7-8-15)19(27-21)22-9-4-10-23-20(29)16-5-3-6-16/h11-16H,3-10H2,1-2H3,(H,23,29)(H2,22,24,26,27)","MLWMBKMQVQOSSC-UHFFFAOYSA-N",null,81]
[1367,"6z97_A",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401903","O=C(NCCCNc1nc(Nc2cccc(Cn3cncn3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H30N8O/c33-23(19-5-2-6-19)27-11-3-10-26-22-21(18-8-9-18)13-28-24(31-22)30-20-7-1-4-17(12-20)14-32-16-25-15-29-32/h1,4,7,12-13,15-16,18-19H,2-3,5-6,8-11,14H2,(H,27,33)(H2,26,28,30,31)","GDYSINUURRPNLP-UHFFFAOYSA-N",null,88]
[1368,"6z97_A",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401920","Cc1nn(C)c2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C24H31N7O/c1-15-19-10-9-18(13-21(19)31(2)30-15)28-24-27-14-20(16-7-8-16)22(29-24)25-11-4-12-26-23(32)17-5-3-6-17/h9-10,13-14,16-17H,3-8,11-12H2,1-2H3,(H,26,32)(H2,25,27,28,29)","YQQIVRZPQZTHDO-UHFFFAOYSA-N",null,90]
[1369,"6z97_A",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401914","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O/c31-22(17-5-3-6-17)25-12-4-11-24-21-20(16-9-10-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-1-2-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BGULRIZNMKERDJ-UHFFFAOYSA-N",null,93]
[1370,"6z97_A",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401916","O=C(NCCCNc1nc(Nc2cnn(c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C21H29N7O/c29-20(15-3-1-4-15)23-10-2-9-22-19-18(14-5-6-14)12-24-21(27-19)26-16-11-25-28(13-16)17-7-8-17/h11-15,17H,1-10H2,(H,23,29)(H2,22,24,26,27)","PLHGRDHBKJDBAW-UHFFFAOYSA-N",null,130]
[1371,"6z97_A",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401917","CCn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C20H29N7O/c1-2-27-13-16(11-24-27)25-20-23-12-17(14-7-8-14)18(26-20)21-9-4-10-22-19(28)15-5-3-6-15/h11-15H,2-10H2,1H3,(H,22,28)(H2,21,23,25,26)","ATGOJZIHHQXMBT-UHFFFAOYSA-N",null,140]
[1372,"6z97_A",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401927","O=C(NCCCNc1nc(Nc2ccc(cc2)-n2cncn2)ncc1C1CC1)C1CCC1","InChI=1S/C23H28N8O/c32-22(17-3-1-4-17)26-12-2-11-25-21-20(16-5-6-16)13-27-23(30-21)29-18-7-9-19(10-8-18)31-15-24-14-28-31/h7-10,13-17H,1-6,11-12H2,(H,26,32)(H2,25,27,29,30)","UNJQFYGCPVIKPA-UHFFFAOYSA-N",null,150]
[1373,"6z97_A",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401899","Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25)","YOFJPZPGHXWQJB-UHFFFAOYSA-N",null,170]
[1374,"6z97_A",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401915","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCC2)ncc1C1CC1)C1CCC1","InChI=1S/C22H31N7O/c30-21(16-4-1-5-16)24-11-3-10-23-20-19(15-8-9-15)13-25-22(28-20)27-17-12-26-29(14-17)18-6-2-7-18/h12-16,18H,1-11H2,(H,24,30)(H2,23,25,27,28)","WFLUXPNQSNOSDL-UHFFFAOYSA-N",null,220]
[1375,"6z97_A",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401913","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O2/c31-22(17-3-1-4-17)25-10-2-9-24-21-20(16-5-6-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-11-32-12-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BPUHLRZXPRJIDO-UHFFFAOYSA-N",null,280]
[1376,"6z97_A",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401921","Cn1ncc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C23H29N7O/c1-30-20-9-8-18(12-17(20)13-27-30)28-23-26-14-19(15-6-7-15)21(29-23)24-10-3-11-25-22(31)16-4-2-5-16/h8-9,12-16H,2-7,10-11H2,1H3,(H,25,31)(H2,24,26,28,29)","ZWBYSALZHQDDEL-UHFFFAOYSA-N",null,380]
[1377,"6z97_A",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401925","O=C(NCCCNc1nc(Nc2ccc(nc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C24H33N7O2/c32-23(18-3-1-4-18)26-10-2-9-25-22-20(17-5-6-17)16-28-24(30-22)29-19-7-8-21(27-15-19)31-11-13-33-14-12-31/h7-8,15-18H,1-6,9-14H2,(H,26,32)(H2,25,28,29,30)","OGBCWLLWFKPBKH-UHFFFAOYSA-N",null,490]
[1378,"6z97_A",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401902","CN(C)Cc1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C24H34N6O/c1-30(2)16-17-7-11-20(12-8-17)28-24-27-15-21(18-9-10-18)22(29-24)25-13-4-14-26-23(31)19-5-3-6-19/h7-8,11-12,15,18-19H,3-6,9-10,13-14,16H2,1-2H3,(H,26,31)(H2,25,27,28,29)","FVHHRIHFFRQXRD-UHFFFAOYSA-N",null,550]
[1379,"6z97_A",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401905","O=C(NCCCNc1nc(Nc2cccc(c2)-c2cnco2)ncc1C1CC1)C1CCC1","InChI=1S/C24H28N6O2/c31-23(17-4-1-5-17)27-11-3-10-26-22-20(16-8-9-16)13-28-24(30-22)29-19-7-2-6-18(12-19)21-14-25-15-32-21/h2,6-7,12-17H,1,3-5,8-11H2,(H,27,31)(H2,26,28,29,30)","DHEGBWHMLXDRTE-UHFFFAOYSA-N",null,560]
[1380,"6z97_A",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401922","O=C(NCCCNc1nc(Nc2ccc3CCN(Cc3c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C27H36N6O/c34-26(20-3-1-4-20)29-13-2-12-28-25-24(19-5-6-19)16-30-27(32-25)31-22-8-7-18-11-14-33(23-9-10-23)17-21(18)15-22/h7-8,15-16,19-20,23H,1-6,9-14,17H2,(H,29,34)(H2,28,30,31,32)","MDSQSUYVBCKIKT-UHFFFAOYSA-N",null,570]
[1381,"6z97_A",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401904","O=C(NCCCNc1nc(Nc2cccc(c2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-4-1-5-19)27-11-3-10-26-23-22(18-8-9-18)17-28-25(30-23)29-20-6-2-7-21(16-20)31-12-14-33-15-13-31/h2,6-7,16-19H,1,3-5,8-15H2,(H,27,32)(H2,26,28,29,30)","IBJXOEFBZCQHEA-UHFFFAOYSA-N",null,580]
[1382,"6z97_A",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401901","CN1CCC(CC1)c1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C27H38N6O/c1-33-16-12-20(13-17-33)19-8-10-23(11-9-19)31-27-30-18-24(21-6-7-21)25(32-27)28-14-3-15-29-26(34)22-4-2-5-22/h8-11,18,20-22H,2-7,12-17H2,1H3,(H,29,34)(H2,28,30,31,32)","KDVSDCOOYFNFIM-UHFFFAOYSA-N",null,660]
[1383,"6z97_A",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401926","O=C(NCCCNc1nc(Nc2cccnc2)ncc1C1CC1)C1CCC1","InChI=1S/C20H26N6O/c27-19(15-4-1-5-15)23-11-3-10-22-18-17(14-7-8-14)13-24-20(26-18)25-16-6-2-9-21-12-16/h2,6,9,12-15H,1,3-5,7-8,10-11H2,(H,23,27)(H2,22,24,25,26)","DAAZPAUBEVGXFD-UHFFFAOYSA-N",null,">1000"]
[1384,"6z97_A",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401924","O=C(NCCCNc1nc(Nc2ccc(CN3CCCCC3)nc2)ncc1C1CC1)C1CCC1","InChI=1S/C26H37N7O/c34-25(20-6-4-7-20)28-13-5-12-27-24-23(19-8-9-19)17-30-26(32-24)31-21-10-11-22(29-16-21)18-33-14-2-1-3-15-33/h10-11,16-17,19-20H,1-9,12-15,18H2,(H,28,34)(H2,27,30,31,32)","YMKUQCYWRPVRGE-UHFFFAOYSA-N",null,1200]
[1385,"6z97_A",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401906","Fc1cccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)c1","InChI=1S/C21H26FN5O/c22-16-6-2-7-17(12-16)26-21-25-13-18(14-8-9-14)19(27-21)23-10-3-11-24-20(28)15-4-1-5-15/h2,6-7,12-15H,1,3-5,8-11H2,(H,24,28)(H2,23,25,26,27)","URECOWLJWSLQCN-UHFFFAOYSA-N",null,1300]
[1386,"6z97_A",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401911","CC(C)N1CCC(CC1)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C26H40N8O/c1-18(2)33-13-9-22(10-14-33)34-17-21(15-30-34)31-26-29-16-23(19-7-8-19)24(32-26)27-11-4-12-28-25(35)20-5-3-6-20/h15-20,22H,3-14H2,1-2H3,(H,28,35)(H2,27,29,31,32)","MJCWEXGCJMNQGR-UHFFFAOYSA-N",null,3000]
[1387,"6z97_A",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401912","O=C(NCCCNc1nc(Nc2cnn(CCN3CCOCC3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H36N8O2/c33-23(19-3-1-4-19)26-8-2-7-25-22-21(18-5-6-18)16-27-24(30-22)29-20-15-28-32(17-20)10-9-31-11-13-34-14-12-31/h15-19H,1-14H2,(H,26,33)(H2,25,27,29,30)","OOXCKYWNRURMMA-UHFFFAOYSA-N",null,9000]
[1388,"6z97_C",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401900","O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30)","CJPMSUUANYLPET-UHFFFAOYSA-N",null,58]
[1389,"6z97_C",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401918","CC(C)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C21H31N7O/c1-14(2)28-13-17(11-25-28)26-21-24-12-18(15-7-8-15)19(27-21)22-9-4-10-23-20(29)16-5-3-6-16/h11-16H,3-10H2,1-2H3,(H,23,29)(H2,22,24,26,27)","MLWMBKMQVQOSSC-UHFFFAOYSA-N",null,81]
[1390,"6z97_C",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401903","O=C(NCCCNc1nc(Nc2cccc(Cn3cncn3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H30N8O/c33-23(19-5-2-6-19)27-11-3-10-26-22-21(18-8-9-18)13-28-24(31-22)30-20-7-1-4-17(12-20)14-32-16-25-15-29-32/h1,4,7,12-13,15-16,18-19H,2-3,5-6,8-11,14H2,(H,27,33)(H2,26,28,30,31)","GDYSINUURRPNLP-UHFFFAOYSA-N",null,88]
[1391,"6z97_C",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401920","Cc1nn(C)c2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C24H31N7O/c1-15-19-10-9-18(13-21(19)31(2)30-15)28-24-27-14-20(16-7-8-16)22(29-24)25-11-4-12-26-23(32)17-5-3-6-17/h9-10,13-14,16-17H,3-8,11-12H2,1-2H3,(H,26,32)(H2,25,27,28,29)","YQQIVRZPQZTHDO-UHFFFAOYSA-N",null,90]
[1392,"6z97_C",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401914","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O/c31-22(17-5-3-6-17)25-12-4-11-24-21-20(16-9-10-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-1-2-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BGULRIZNMKERDJ-UHFFFAOYSA-N",null,93]
[1393,"6z97_C",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401916","O=C(NCCCNc1nc(Nc2cnn(c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C21H29N7O/c29-20(15-3-1-4-15)23-10-2-9-22-19-18(14-5-6-14)12-24-21(27-19)26-16-11-25-28(13-16)17-7-8-17/h11-15,17H,1-10H2,(H,23,29)(H2,22,24,26,27)","PLHGRDHBKJDBAW-UHFFFAOYSA-N",null,130]
[1394,"6z97_C",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401917","CCn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C20H29N7O/c1-2-27-13-16(11-24-27)25-20-23-12-17(14-7-8-14)18(26-20)21-9-4-10-22-19(28)15-5-3-6-15/h11-15H,2-10H2,1H3,(H,22,28)(H2,21,23,25,26)","ATGOJZIHHQXMBT-UHFFFAOYSA-N",null,140]
[1395,"6z97_C",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401927","O=C(NCCCNc1nc(Nc2ccc(cc2)-n2cncn2)ncc1C1CC1)C1CCC1","InChI=1S/C23H28N8O/c32-22(17-3-1-4-17)26-12-2-11-25-21-20(16-5-6-16)13-27-23(30-21)29-18-7-9-19(10-8-18)31-15-24-14-28-31/h7-10,13-17H,1-6,11-12H2,(H,26,32)(H2,25,27,29,30)","UNJQFYGCPVIKPA-UHFFFAOYSA-N",null,150]
[1396,"6z97_C",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401899","Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25)","YOFJPZPGHXWQJB-UHFFFAOYSA-N",null,170]
[1397,"6z97_C",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401915","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCC2)ncc1C1CC1)C1CCC1","InChI=1S/C22H31N7O/c30-21(16-4-1-5-16)24-11-3-10-23-20-19(15-8-9-15)13-25-22(28-20)27-17-12-26-29(14-17)18-6-2-7-18/h12-16,18H,1-11H2,(H,24,30)(H2,23,25,27,28)","WFLUXPNQSNOSDL-UHFFFAOYSA-N",null,220]
[1398,"6z97_C",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401913","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O2/c31-22(17-3-1-4-17)25-10-2-9-24-21-20(16-5-6-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-11-32-12-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BPUHLRZXPRJIDO-UHFFFAOYSA-N",null,280]
[1399,"6z97_C",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401921","Cn1ncc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C23H29N7O/c1-30-20-9-8-18(12-17(20)13-27-30)28-23-26-14-19(15-6-7-15)21(29-23)24-10-3-11-25-22(31)16-4-2-5-16/h8-9,12-16H,2-7,10-11H2,1H3,(H,25,31)(H2,24,26,28,29)","ZWBYSALZHQDDEL-UHFFFAOYSA-N",null,380]
[1400,"6z97_C",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401925","O=C(NCCCNc1nc(Nc2ccc(nc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C24H33N7O2/c32-23(18-3-1-4-18)26-10-2-9-25-22-20(17-5-6-17)16-28-24(30-22)29-19-7-8-21(27-15-19)31-11-13-33-14-12-31/h7-8,15-18H,1-6,9-14H2,(H,26,32)(H2,25,28,29,30)","OGBCWLLWFKPBKH-UHFFFAOYSA-N",null,490]
[1401,"6z97_C",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401902","CN(C)Cc1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C24H34N6O/c1-30(2)16-17-7-11-20(12-8-17)28-24-27-15-21(18-9-10-18)22(29-24)25-13-4-14-26-23(31)19-5-3-6-19/h7-8,11-12,15,18-19H,3-6,9-10,13-14,16H2,1-2H3,(H,26,31)(H2,25,27,28,29)","FVHHRIHFFRQXRD-UHFFFAOYSA-N",null,550]
[1402,"6z97_C",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401905","O=C(NCCCNc1nc(Nc2cccc(c2)-c2cnco2)ncc1C1CC1)C1CCC1","InChI=1S/C24H28N6O2/c31-23(17-4-1-5-17)27-11-3-10-26-22-20(16-8-9-16)13-28-24(30-22)29-19-7-2-6-18(12-19)21-14-25-15-32-21/h2,6-7,12-17H,1,3-5,8-11H2,(H,27,31)(H2,26,28,29,30)","DHEGBWHMLXDRTE-UHFFFAOYSA-N",null,560]
[1403,"6z97_C",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401922","O=C(NCCCNc1nc(Nc2ccc3CCN(Cc3c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C27H36N6O/c34-26(20-3-1-4-20)29-13-2-12-28-25-24(19-5-6-19)16-30-27(32-25)31-22-8-7-18-11-14-33(23-9-10-23)17-21(18)15-22/h7-8,15-16,19-20,23H,1-6,9-14,17H2,(H,29,34)(H2,28,30,31,32)","MDSQSUYVBCKIKT-UHFFFAOYSA-N",null,570]
[1404,"6z97_C",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401904","O=C(NCCCNc1nc(Nc2cccc(c2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-4-1-5-19)27-11-3-10-26-23-22(18-8-9-18)17-28-25(30-23)29-20-6-2-7-21(16-20)31-12-14-33-15-13-31/h2,6-7,16-19H,1,3-5,8-15H2,(H,27,32)(H2,26,28,29,30)","IBJXOEFBZCQHEA-UHFFFAOYSA-N",null,580]
[1405,"6z97_C",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401901","CN1CCC(CC1)c1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C27H38N6O/c1-33-16-12-20(13-17-33)19-8-10-23(11-9-19)31-27-30-18-24(21-6-7-21)25(32-27)28-14-3-15-29-26(34)22-4-2-5-22/h8-11,18,20-22H,2-7,12-17H2,1H3,(H,29,34)(H2,28,30,31,32)","KDVSDCOOYFNFIM-UHFFFAOYSA-N",null,660]
[1406,"6z97_C",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401926","O=C(NCCCNc1nc(Nc2cccnc2)ncc1C1CC1)C1CCC1","InChI=1S/C20H26N6O/c27-19(15-4-1-5-15)23-11-3-10-22-18-17(14-7-8-14)13-24-20(26-18)25-16-6-2-9-21-12-16/h2,6,9,12-15H,1,3-5,7-8,10-11H2,(H,23,27)(H2,22,24,25,26)","DAAZPAUBEVGXFD-UHFFFAOYSA-N",null,">1000"]
[1407,"6z97_C",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401924","O=C(NCCCNc1nc(Nc2ccc(CN3CCCCC3)nc2)ncc1C1CC1)C1CCC1","InChI=1S/C26H37N7O/c34-25(20-6-4-7-20)28-13-5-12-27-24-23(19-8-9-19)17-30-26(32-24)31-21-10-11-22(29-16-21)18-33-14-2-1-3-15-33/h10-11,16-17,19-20H,1-9,12-15,18H2,(H,28,34)(H2,27,30,31,32)","YMKUQCYWRPVRGE-UHFFFAOYSA-N",null,1200]
[1408,"6z97_C",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401906","Fc1cccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)c1","InChI=1S/C21H26FN5O/c22-16-6-2-7-17(12-16)26-21-25-13-18(14-8-9-14)19(27-21)23-10-3-11-24-20(28)15-4-1-5-15/h2,6-7,12-15H,1,3-5,8-11H2,(H,24,28)(H2,23,25,26,27)","URECOWLJWSLQCN-UHFFFAOYSA-N",null,1300]
[1409,"6z97_C",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401911","CC(C)N1CCC(CC1)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C26H40N8O/c1-18(2)33-13-9-22(10-14-33)34-17-21(15-30-34)31-26-29-16-23(19-7-8-19)24(32-26)27-11-4-12-28-25(35)20-5-3-6-20/h15-20,22H,3-14H2,1-2H3,(H,28,35)(H2,27,29,31,32)","MJCWEXGCJMNQGR-UHFFFAOYSA-N",null,3000]
[1410,"6z97_C",0.4,"Spike glycoprotein, Fibritin","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401912","O=C(NCCCNc1nc(Nc2cnn(CCN3CCOCC3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H36N8O2/c33-23(19-3-1-4-19)26-8-2-7-25-22-21(18-5-6-18)16-27-24(30-22)29-20-15-28-32(17-20)10-9-31-11-13-34-14-12-31/h15-19H,1-14H2,(H,26,33)(H2,25,27,29,30)","OOXCKYWNRURMMA-UHFFFAOYSA-N",null,9000]
[1411,"7c01_A",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50173286","CNC(=O)NC(N)=NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",17]
[1412,"7c01_A",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",37000,126000,{"$nulls":4},5.5,"37.00 C"]
[1413,"7c01_A",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50559069","CNC(=O)NC(=N)NCCC[C@H]1CN(C)[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(=O)N[C@H](CC(=O)N[C@H](C)C(=O)N1)C(O)=O)C(O)=O","InChI=1S/C30H45N9O9/c1-17-25(42)35-19(10-7-13-33-29(31)38-30(48)32-2)16-39(3)22(14-18-8-5-4-6-9-18)26(43)37-20(27(44)45)11-12-23(40)36-21(28(46)47)15-24(41)34-17/h4-6,8-9,17,19-22H,7,10-16H2,1-3H3,(H,34,41)(H,35,42)(H,36,40)(H,37,43)(H,44,45)(H,46,47)(H4,31,32,33,38,48)/t17-,19+,20-,21-,22+/m1/s1","DHHVTIQSEZUVAG-BLCKVISQSA-N",null,27]
[1414,"7c01_A",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,27,{"$nulls":4},5.5]
[1415,"7c01_A",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM81508","Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12","InChI=1S/C17H20N8O4/c1-20-8-18-12-10(20)14(26)24(16(28)22(12)3)6-5-7-25-15(27)11-13(19-9-21(11)2)23(4)17(25)29/h8-9H,5-7H2,1-4H3","KEPIKAFUZRKZMT-UHFFFAOYSA-N",null,200]
[1416,"7c01_A",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,500,{"$nulls":4},5.5,"37.00 C"]
[1417,"7c01_A",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,1100,{"$nulls":4},5.5,"37.00 C"]
[1418,"7c01_A",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM81341","CNC(=O)NC(N)=NCCC[C@H](NC(=O)[C@@H](C)NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(O)=O","InChI=1S/C27H40N8O9/c1-15(31-16(2)36)22(39)32-18(11-8-12-30-26(28)34-27(44)29-3)24(41)35(4)20(13-17-9-6-5-7-10-17)23(40)33-19(25(42)43)14-21(37)38/h5-7,9-10,15,18-20H,8,11-14H2,1-4H3,(H,31,36)(H,32,39)(H,33,40)(H,37,38)(H,42,43)(H4,28,29,30,34,44)/t15-,18+,19+,20+/m1/s1","SJHMDURLSNWSOY-TTYHFUOFSA-N",null,4300,{"$nulls":4},5.5]
[1419,"7c01_A",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50388141","Cn1cnc2n(C)c(=O)n(CCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12","InChI=1S/C16H18N8O4/c1-19-7-17-11-9(19)13(25)23(15(27)21(11)3)5-6-24-14(26)10-12(18-8-20(10)2)22(4)16(24)28/h7-8H,5-6H2,1-4H3","DHOOHIKQTUGDOW-UHFFFAOYSA-N",null,4800]
[1420,"7c01_A",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM81342","CNC(=O)NC(N)=NCCC[C@H](NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(O)=O","InChI=1S/C24H35N7O8/c1-14(32)28-16(10-7-11-27-23(25)30-24(39)26-2)21(36)31(3)18(12-15-8-5-4-6-9-15)20(35)29-17(22(37)38)13-19(33)34/h4-6,8-9,16-18H,7,10-13H2,1-3H3,(H,28,32)(H,29,35)(H,33,34)(H,37,38)(H4,25,26,27,30,39)/t16-,17-,18-/m0/s1","UFMHANUUWPWJKF-BZSNNMDCSA-N",null,5100,{"$nulls":4},5.5]
[1421,"7c01_A",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50388143","Cn1cnc2n(C)c(=O)n(CCCCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12","InChI=1S/C19H24N8O4/c1-22-10-20-14-12(22)16(28)26(18(30)24(14)3)8-6-5-7-9-27-17(29)13-15(21-11-23(13)2)25(4)19(27)31/h10-11H,5-9H2,1-4H3","YJGXPSISVGOKLP-UHFFFAOYSA-N",null,5700]
[1422,"7c01_A",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50388142","Cn1cnc2n(C)c(=O)n(CCCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12","InChI=1S/C18H22N8O4/c1-21-9-19-13-11(21)15(27)25(17(29)23(13)3)7-5-6-8-26-16(28)12-14(20-10-22(12)2)24(4)18(26)30/h9-10H,5-8H2,1-4H3","PXFLHKVXISJBOA-UHFFFAOYSA-N",null,9000]
[1423,"7c01_A",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50257243","CNC(=O)NC(N)=NCCC[C@H](NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(O)=O","InChI=1S/C20H30N6O5/c1-13(27)24-15(10-7-11-23-19(21)25-20(31)22-2)17(28)26(3)16(18(29)30)12-14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-12H2,1-3H3,(H,24,27)(H,29,30)(H4,21,22,23,25,31)/t15-,16-/m0/s1","NXHZAKRRBAPHDQ-HOTGVXAUSA-N",null,12000,{"$nulls":4},5.5]
[1424,"7c01_A",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM81343","CNC(=O)NC(N)=NCCC[C@H](NC(C)=O)C(=O)NC","InChI=1S/C11H22N6O3/c1-7(18)16-8(9(19)13-2)5-4-6-15-10(12)17-11(20)14-3/h8H,4-6H2,1-3H3,(H,13,19)(H,16,18)(H4,12,14,15,17,20)/t8-/m0/s1","IHUKVJKKTBLTEE-QMMMGPOBSA-N",null,81000,{"$nulls":4},5.5]
[1425,"7c01_A",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10849","Cn1cnc2n(C)c(=O)n(C)c(=O)c12","InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3","RYYVLZVUVIJVGH-UHFFFAOYSA-N",null,469000,{"$nulls":4},5.5,"37.00 C"]
[1426,"7c01_A",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50559066","CNC(=N)NC(=O)NC","InChI=1S/C4H10N4O/c1-6-3(5)8-4(9)7-2/h1-2H3,(H4,5,6,7,8,9)","KGCIDHJBLPVUNN-UHFFFAOYSA-N",null,500000]
[1427,"7c01_A",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM81344","CNC(=O)NC(N)=NC","InChI=1S/C4H10N4O/c1-6-3(5)8-4(9)7-2/h1-2H3,(H4,5,6,7,8,9)","KGCIDHJBLPVUNN-UHFFFAOYSA-N",null,500000,{"$nulls":4},5.5]
[1428,"7c01_A",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10847","Cn1c2nc[nH]c2c(=O)n(C)c1=O","InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)","ZFXYFBGIUFBOJW-UHFFFAOYSA-N",null,1500000,{"$nulls":4},5.5,"37.00 C"]
[1429,"7c01_A",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,460]
[1430,"7c01_A",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,810]
[1431,"7c01_A",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,43000]
[1432,"7c01_A",0.3,"Spike protein S1","Endochitinase B1 [A217G]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,77000]
[1433,"7c01_A",0.3,"Spike protein S1","Endochitinase B1 [A217G]","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,2840]
[1434,"7c01_A",0.3,"Spike protein S1","Endochitinase B1 [A217G]","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,4240]
[1435,"7c01_A",0.3,"Spike protein S1","Endochitinase B1 [D175A]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,100000]
[1436,"7c01_A",0.3,"Spike protein S1","Endochitinase B1 [D175A]","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,3600]
[1437,"7c01_A",0.3,"Spike protein S1","Endochitinase B1 [D175A]","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,3810]
[1438,"7c01_A",0.3,"Spike protein S1","Endochitinase B1 [D246A]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,62000]
[1439,"7c01_A",0.3,"Spike protein S1","Endochitinase B1 [E322A]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,45000]
[1440,"7c01_A",0.3,"Spike protein S1","Endochitinase B1 [E322A]","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,2930]
[1441,"7c01_A",0.3,"Spike protein S1","Endochitinase B1 [E322A]","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,1370]
[1442,"7c01_A",0.3,"Spike protein S1","Endochitinase B1 [M243A]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,18000]
[1443,"7c01_A",0.3,"Spike protein S1","Endochitinase B1 [M243A]","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,9390]
[1444,"7c01_A",0.3,"Spike protein S1","Endochitinase B1 [M243A]","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,1730]
[1445,"7c01_A",0.3,"Spike protein S1","Endochitinase B1 [E177A]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,36000]
[1446,"7c01_A",0.3,"Spike protein S1","Endochitinase B1 [R301K]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,17000]
[1447,"7c01_A",0.3,"Spike protein S1","Endochitinase B1 [R301K]","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,1020]
[1448,"7c01_A",0.3,"Spike protein S1","Endochitinase B1 [R301K]","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,2160]
[1449,"7c01_A",0.3,"Spike protein S1","Endochitinase B1 [T138A]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,65000]
[1450,"7c01_A",0.3,"Spike protein S1","Endochitinase B1 [T138A]","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,3040]
[1451,"7c01_A",0.3,"Spike protein S1","Endochitinase B1 [T138A]","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,1210]
[1452,"7c01_A",0.3,"Spike protein S1","Endochitinase B1 [Y245F]","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,5570]
[1453,"7c01_A",0.3,"Spike protein S1","Endochitinase B1 [Y245F]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,64000]
[1454,"7c01_A",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25460","OC(=O)CS(=O)c1ccc2-c3ccccc3C(=O)c3cccc1c23","InChI=1S/C19H12O4S/c20-17(21)10-24(23)16-9-8-12-11-4-1-2-5-13(11)19(22)15-7-3-6-14(16)18(12)15/h1-9H,10H2,(H,20,21)","WUJCZHVABXHBKL-UHFFFAOYSA-N",null,null,180350,{"$nulls":3},7.5,"30.00 C"]
[1455,"7c01_A",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25462","[O-][N+](=O)c1cc2C(=O)c3ccccc3-c2cc1[N+]([O-])=O","InChI=1S/C13H6N2O5/c16-13-8-4-2-1-3-7(8)9-5-11(14(17)18)12(15(19)20)6-10(9)13/h1-6H","BTCGQAJWZRCLRP-UHFFFAOYSA-N",null,null,37110,{"$nulls":3},7.5,"30.00 C"]
[1456,"7c01_A",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25463","OC(=O)CSc1nnc2c3ccccc3c3ccccc3c2n1","InChI=1S/C17H11N3O2S/c21-14(22)9-23-17-18-15-12-7-3-1-5-10(12)11-6-2-4-8-13(11)16(15)19-20-17/h1-8H,9H2,(H,21,22)","XZGDBVGWDJBZRI-UHFFFAOYSA-N",null,null,46850,{"$nulls":3},7.5,"30.00 C"]
[1457,"7c01_A",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25464","Nc1nc(Sc2ccc([N+]([O-])=O)c3nonc23)c2[nH]cnc2n1","InChI=1S/C11H6N8O3S/c12-11-15-9-8(13-3-14-9)10(16-11)23-5-2-1-4(19(20)21)6-7(5)18-22-17-6/h1-3H,(H3,12,13,14,15,16)","NPXXCZXQTLRXTP-UHFFFAOYSA-N",null,null,15190,{"$nulls":3},7.5,"30.00 C"]
[1458,"7c01_A",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25469","[O-][N+](=O)c1ccc(Sc2cccc[n+]2[O-])c2nonc12","InChI=1S/C11H6N4O4S/c16-14-6-2-1-3-9(14)20-8-5-4-7(15(17)18)10-11(8)13-19-12-10/h1-6H","ICCFXXDUYSPKOL-UHFFFAOYSA-N",null,null,19510,{"$nulls":3},7.5,"30.00 C"]
[1459,"7c01_A",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25466","CC(=O)Nc1cc2C(=O)c3ccccc3-c2cc1[N+]([O-])=O","InChI=1S/C15H10N2O4/c1-8(18)16-13-6-12-11(7-14(13)17(20)21)9-4-2-3-5-10(9)15(12)19/h2-7H,1H3,(H,16,18)","NKZAKQSPBYLXCN-UHFFFAOYSA-N",null,null,31790,{"$nulls":3},7.5,"30.00 C"]
[1460,"7c01_A",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25467","[O-][N+](=O)c1cc2C(=O)c3ccccc3-c2c(c1)[N+]([O-])=O","InChI=1S/C13H6N2O5/c16-13-9-4-2-1-3-8(9)12-10(13)5-7(14(17)18)6-11(12)15(19)20/h1-6H","HUNDKIPOXXHMOS-UHFFFAOYSA-N",null,null,48110,{"$nulls":3},7.5,"30.00 C"]
[1461,"7c01_A",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25468","[O-][N+](=O)c1cc2C(=O)c3cc(F)ccc3-c2cc1F","InChI=1S/C13H5F2NO3/c14-6-1-2-7-8-4-11(15)12(16(18)19)5-10(8)13(17)9(7)3-6/h1-5H","DYURKAXDBWRFLK-UHFFFAOYSA-N",null,null,44590,{"$nulls":3},7.5,"30.00 C"]
[1462,"7c01_A",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM22858","[O-][N+](=O)c1ccc-2c(c1)C(=O)C(=O)c1ccccc-21","InChI=1S/C14H7NO4/c16-13-11-4-2-1-3-9(11)10-6-5-8(15(18)19)7-12(10)14(13)17/h1-7H","KNAXWOBOCVVMST-UHFFFAOYSA-N",null,null,6810,{"$nulls":3},7.5,"30.00 C"]
[1463,"7c01_A",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25465","CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@@]3(C)CC[C@H](O)C[C@]33C=C[C@]21C(C3C(O)=O)C(O)=O","InChI=1S/C25H32O6/c1-13(26)15-4-5-16-22(15,2)8-7-17-23(3)9-6-14(27)12-24(23)10-11-25(16,17)19(21(30)31)18(24)20(28)29/h7,10-11,14-16,18-19,27H,4-6,8-9,12H2,1-3H3,(H,28,29)(H,30,31)/t14-,15+,16+,18?,19?,22+,23+,24-,25-/m0/s1","NEZTUQCJKXTWFV-JIQJOFIQSA-N",null,null,127190,{"$nulls":3},7.5,"30.00 C"]
[1464,"7c01_A",0.3,"Spike protein S1","Histone-lysine N-methyltransferase ASH1L","Homo sapiens","BDBM50530712","N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1cccc(c1)C(N)=O)C(O)=O","InChI=1S/C24H27N7O6/c25-15(24(35)36)7-6-13(5-4-12-2-1-3-14(8-12)21(27)34)9-16-18(32)19(33)23(37-16)31-11-30-17-20(26)28-10-29-22(17)31/h1-3,8,10-11,13,15-16,18-19,23,32-33H,6-7,9,25H2,(H2,27,34)(H,35,36)(H2,26,28,29)/t13-,15-,16+,18+,19+,23+/m0/s1","QRKSTGPKAQGBDD-GGPTZFPQSA-N",null,">10000"]
[1465,"7c01_A",0.3,"Spike protein S1","Histone-lysine N-methyltransferase ASH1L","Homo sapiens","BDBM50530712","N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1cccc(c1)C(N)=O)C(O)=O","InChI=1S/C24H27N7O6/c25-15(24(35)36)7-6-13(5-4-12-2-1-3-14(8-12)21(27)34)9-16-18(32)19(33)23(37-16)31-11-30-17-20(26)28-10-29-22(17)31/h1-3,8,10-11,13,15-16,18-19,23,32-33H,6-7,9,25H2,(H2,27,34)(H,35,36)(H2,26,28,29)/t13-,15-,16+,18+,19+,23+/m0/s1","QRKSTGPKAQGBDD-GGPTZFPQSA-N",null,">10000"]
[1466,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575780","Cn1cncc1-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O","InChI=1S/C20H28FN4O4P/c1-24-14-23-11-18(24)17-10-16(21)5-4-15(17)12-25-8-9-30(28,29)20(13-25,19(26)27)6-2-3-7-22/h4-5,10-11,14H,2-3,6-9,12-13,22H2,1H3,(H,26,27)(H,28,29)/t20-/m0/s1","ZBWZIBATIOSFOY-FQEVSTJZSA-N",0.75]
[1467,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305346","NCCO[C@@H](Cc1cn(cn1)-c1ccccc1)C(O)=O","InChI=1S/C14H17N3O3/c15-6-7-20-13(14(18)19)8-11-9-17(10-16-11)12-4-2-1-3-5-12/h1-5,9-10,13H,6-8,15H2,(H,18,19)/t13-/m0/s1","LVCATUGNENEDGZ-ZDUSSCGKSA-N",3.5]
[1468,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201438","NC(N)=NCCCC(CS)C(O)=O","InChI=1S/C7H15N3O2S/c8-7(9)10-3-1-2-5(4-13)6(11)12/h5,13H,1-4H2,(H,11,12)(H4,8,9,10)","JOVIPJZDTSYNNW-UHFFFAOYSA-N",4]
[1469,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305347","CC(C)(C)c1ccc(cc1)-n1cnc(C[C@H](OCCN)C(O)=O)c1","InChI=1S/C18H25N3O3/c1-18(2,3)13-4-6-15(7-5-13)21-11-14(20-12-21)10-16(17(22)23)24-9-8-19/h4-7,11-12,16H,8-10,19H2,1-3H3,(H,22,23)/t16-/m0/s1","JVLMBIHTJZKJHM-INIZCTEOSA-N",5.7]
[1470,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305351","C[C@H](CN)O[C@@H](Cc1cn(cn1)-c1ccccn1)C(O)=O","InChI=1S/C14H18N4O3/c1-10(7-15)21-12(14(19)20)6-11-8-18(9-17-11)13-4-2-3-5-16-13/h2-5,8-10,12H,6-7,15H2,1H3,(H,19,20)/t10-,12+/m1/s1","QOJWERXDJOWTNM-PWSUYJOCSA-N",5.8]
[1471,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305345","CCCn1cnc(C[C@H](OCCN)C(O)=O)c1","InChI=1S/C11H19N3O3/c1-2-4-14-7-9(13-8-14)6-10(11(15)16)17-5-3-12/h7-8,10H,2-6,12H2,1H3,(H,15,16)/t10-/m0/s1","JAMWMFGAEKLEEJ-JTQLQIEISA-N",6.7]
[1472,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305352","C[C@H](CN)O[C@@H](Cc1cn(cn1)-c1ccccc1)C(O)=O","InChI=1S/C15H19N3O3/c1-11(8-16)21-14(15(19)20)7-12-9-18(10-17-12)13-5-3-2-4-6-13/h2-6,9-11,14H,7-8,16H2,1H3,(H,19,20)/t11-,14+/m1/s1","MAWYISWEMHTKMO-RISCZKNCSA-N",7.5]
[1473,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305348","NCCO[C@@H](Cc1cn(CCC2CCCCC2)cn1)C(O)=O","InChI=1S/C16H27N3O3/c17-7-9-22-15(16(20)21)10-14-11-19(12-18-14)8-6-13-4-2-1-3-5-13/h11-13,15H,1-10,17H2,(H,20,21)/t15-/m0/s1","VAABNDTVXFVLFU-HNNXBMFYSA-N",8.2]
[1474,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226610","CCCn1cnc(C[C@H](CCCN)C(O)=O)c1","InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s1","OTDGPKRCQXSTPV-JTQLQIEISA-N",10]
[1475,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305349","CCCCn1cnc(CC(OCCN)C(O)=O)c1","InChI=1S/C12H21N3O3/c1-2-3-5-15-8-10(14-9-15)7-11(12(16)17)18-6-4-13/h8-9,11H,2-7,13H2,1H3,(H,16,17)","OKKIGEKMWNYVMZ-UHFFFAOYSA-N",15]
[1476,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226610","CCCn1cnc(C[C@H](CCCN)C(O)=O)c1","InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s1","OTDGPKRCQXSTPV-JTQLQIEISA-N",16]
[1477,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226605","CCCn1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)","OTDGPKRCQXSTPV-UHFFFAOYSA-N",46]
[1478,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305350","Cc1ccccc1-n1cnc(CC(OCCN)C(O)=O)c1","InChI=1S/C15H19N3O3/c1-11-4-2-3-5-13(11)18-9-12(17-10-18)8-14(15(19)20)21-7-6-16/h2-5,9-10,14H,6-8,16H2,1H3,(H,19,20)","WUAXKGSLSYPFBN-UHFFFAOYSA-N",65]
[1479,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226598","CCCCn1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C12H22N4O2/c1-2-3-6-16-8-10(15-9-16)7-11(12(17)18)14-5-4-13/h8-9,11,14H,2-7,13H2,1H3,(H,17,18)/t11-/m0/s1","LLJMTPSWZYCMHR-NSHDSACASA-N",70]
[1480,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226606","CCCn1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C11H20N4O2/c1-2-5-15-7-9(14-8-15)6-10(11(16)17)13-4-3-12/h7-8,10,13H,2-6,12H2,1H3,(H,16,17)/t10-/m0/s1","UVTMXVBQOPVNHA-JTQLQIEISA-N",84]
[1481,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226597","CC(C)Cn1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C12H22N4O2/c1-9(2)6-16-7-10(15-8-16)5-11(12(17)18)14-4-3-13/h7-9,11,14H,3-6,13H2,1-2H3,(H,17,18)/t11-/m0/s1","MLBDFQDXKAYTON-NSHDSACASA-N",100]
[1482,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226611","NCCN[C@@H](Cc1cn(CCCO)cn1)C(O)=O","InChI=1S/C11H20N4O3/c12-2-3-13-10(11(17)18)6-9-7-15(8-14-9)4-1-5-16/h7-8,10,13,16H,1-6,12H2,(H,17,18)/t10-/m0/s1","RCYDGVHMVIQVSF-JTQLQIEISA-N",111]
[1483,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226614","NCCN[C@@H](Cc1cn(CC2CCC2)cn1)C(O)=O","InChI=1S/C13H22N4O2/c14-4-5-15-12(13(18)19)6-11-8-17(9-16-11)7-10-2-1-3-10/h8-10,12,15H,1-7,14H2,(H,18,19)/t12-/m0/s1","BYGNYBXYEDTEJQ-LBPRGKRZSA-N",124]
[1484,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226613","NCCN[C@@H](Cc1cn(CCc2ccccc2)cn1)C(O)=O","InChI=1S/C16H22N4O2/c17-7-8-18-15(16(21)22)10-14-11-20(12-19-14)9-6-13-4-2-1-3-5-13/h1-5,11-12,15,18H,6-10,17H2,(H,21,22)/t15-/m0/s1","KIBISFXBVFKORC-HNNXBMFYSA-N",140]
[1485,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226607","NCCCC(Cc1cnc[nH]1)C(O)=O","InChI=1S/C9H15N3O2/c10-3-1-2-7(9(13)14)4-8-5-11-6-12-8/h5-7H,1-4,10H2,(H,11,12)(H,13,14)","BJQWDKXNACRDDN-UHFFFAOYSA-N",140]
[1486,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226606","CCCn1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C11H20N4O2/c1-2-5-15-7-9(14-8-15)6-10(11(16)17)13-4-3-12/h7-8,10,13H,2-6,12H2,1H3,(H,16,17)/t10-/m0/s1","UVTMXVBQOPVNHA-JTQLQIEISA-N",150]
[1487,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226602","CCCCCn1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C13H24N4O2/c1-2-3-4-7-17-9-11(16-10-17)8-12(13(18)19)15-6-5-14/h9-10,12,15H,2-8,14H2,1H3,(H,18,19)/t12-/m0/s1","IIHFQOHRJWWSRA-LBPRGKRZSA-N",160]
[1488,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226601","Cn1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C9H16N4O2/c1-13-5-7(12-6-13)4-8(9(14)15)11-3-2-10/h5-6,8,11H,2-4,10H2,1H3,(H,14,15)/t8-/m0/s1","ZIGWTNNVVANKME-QMMMGPOBSA-N",235]
[1489,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226599","CCn1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C10H18N4O2/c1-2-14-6-8(13-7-14)5-9(10(15)16)12-4-3-11/h6-7,9,12H,2-5,11H2,1H3,(H,15,16)/t9-/m0/s1","RVUXHJZTETWWDB-VIFPVBQESA-N",250]
[1490,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226608","NCCN[C@@H](Cc1cn(Cc2ccccc2)cn1)C(O)=O","InChI=1S/C15H20N4O2/c16-6-7-17-14(15(20)21)8-13-10-19(11-18-13)9-12-4-2-1-3-5-12/h1-5,10-11,14,17H,6-9,16H2,(H,20,21)/t14-/m0/s1","RZHAWQYSDSVTHN-AWEZNQCLSA-N",269]
[1491,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226603","NCCCC(CS)C(O)=O","InChI=1S/C6H13NO2S/c7-3-1-2-5(4-10)6(8)9/h5,10H,1-4,7H2,(H,8,9)","IKYCTNVIQZAWIB-UHFFFAOYSA-N",300]
[1492,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226600","NCCN[C@@H](Cc1cnc[nH]1)C(O)=O","InChI=1S/C8H14N4O2/c9-1-2-11-7(8(13)14)3-6-4-10-5-12-6/h4-5,7,11H,1-3,9H2,(H,10,12)(H,13,14)/t7-/m0/s1","HRGIXOAUBWGTCB-ZETCQYMHSA-N",344]
[1493,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305353","CCCn1cnc(CC(OCCNC)C(O)=O)c1","InChI=1S/C12H21N3O3/c1-3-5-15-8-10(14-9-15)7-11(12(16)17)18-6-4-13-2/h8-9,11,13H,3-7H2,1-2H3,(H,16,17)","ZVHHWSNDCRFPAT-UHFFFAOYSA-N",407]
[1494,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226609","CC(C)n1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C11H20N4O2/c1-8(2)15-6-9(14-7-15)5-10(11(16)17)13-4-3-12/h6-8,10,13H,3-5,12H2,1-2H3,(H,16,17)/t10-/m0/s1","DSCXKBLEKKGFNS-JTQLQIEISA-N",430]
[1495,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226604","CCCn1cnc(C[C@@H](CCCN)C(O)=O)c1","InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m1/s1","OTDGPKRCQXSTPV-SNVBAGLBSA-N",">700"]
[1496,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305354","CCCn1cnc(C[C@@H](OCCN)C(O)=O)c1","InChI=1S/C11H19N3O3/c1-2-4-14-7-9(13-8-14)6-10(11(15)16)17-5-3-12/h7-8,10H,2-6,12H2,1H3,(H,15,16)/t10-/m1/s1","JAMWMFGAEKLEEJ-SNVBAGLBSA-N",">1000"]
[1497,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81910","CC(NC(=S)N(Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O)c1ccccc1","InChI=1S/C25H25N3OS2/c1-17-10-11-23-20(13-17)14-21(24(29)27-23)15-28(16-22-9-6-12-31-22)25(30)26-18(2)19-7-4-3-5-8-19/h3-14,18H,15-16H2,1-2H3,(H,26,30)(H,27,29)","JRVSRQFBILPVCS-UHFFFAOYSA-N",1600]
[1498,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81906","Cc1ccc(cc1)C(=O)CSc1nnc(COc2ccc3ccccc3c2)o1","InChI=1S/C22H18N2O3S/c1-15-6-8-17(9-7-15)20(25)14-28-22-24-23-21(27-22)13-26-19-11-10-16-4-2-3-5-18(16)12-19/h2-12H,13-14H2,1H3","CTYSPWAJMNQYOQ-UHFFFAOYSA-N",1900]
[1499,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81905","Cc1cc(C)cc(c1)-c1nnc(SCC(=O)N2CCCc3ccccc23)o1","InChI=1S/C21H21N3O2S/c1-14-10-15(2)12-17(11-14)20-22-23-21(26-20)27-13-19(25)24-9-5-7-16-6-3-4-8-18(16)24/h3-4,6,8,10-12H,5,7,9,13H2,1-2H3","SVVCCBBUWWVOLZ-UHFFFAOYSA-N",7400]
[1500,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81908","OC(=O)CCSc1nnc(COc2cccc3ccccc23)n1-c1ccccc1","InChI=1S/C22H19N3O3S/c26-21(27)13-14-29-22-24-23-20(25(22)17-9-2-1-3-10-17)15-28-19-12-6-8-16-7-4-5-11-18(16)19/h1-12H,13-15H2,(H,26,27)","ONEYQUFCKREJEN-UHFFFAOYSA-N",11800]
[1501,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81911","COC(=O)c1ccccc1NC(=S)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O","InChI=1S/C25H23N3O4S/c1-16-7-5-8-17-13-18(23(29)27-22(16)17)14-28(15-19-9-6-12-32-19)25(33)26-21-11-4-3-10-20(21)24(30)31-2/h3-13H,14-15H2,1-2H3,(H,26,33)(H,27,29)","FMEZNJBXBHDEHR-UHFFFAOYSA-N",13300]
[1502,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81909","Fc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1","InChI=1S/C22H18FN3O3S/c23-17-10-12-18(13-11-17)30(28,29)26(14-16-6-2-1-3-7-16)15-21-24-20-9-5-4-8-19(20)22(27)25-21/h1-13H,14-15H2,(H,24,25,27)","SJKIDORXXVJOAY-UHFFFAOYSA-N",14300]
[1503,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226612","NCCN[C@H](Cc1cnc[nH]1)C(O)=O","InChI=1S/C8H14N4O2/c9-1-2-11-7(8(13)14)3-6-4-10-5-12-6/h4-5,7,11H,1-3,9H2,(H,10,12)(H,13,14)/t7-/m1/s1","HRGIXOAUBWGTCB-SSDOTTSWSA-N",17000]
[1504,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81907","COc1ccc2[nH]c(=O)c(CN(CCO)C(=S)Nc3ccc(C)cc3)cc2c1","InChI=1S/C21H23N3O3S/c1-14-3-5-17(6-4-14)22-21(28)24(9-10-25)13-16-11-15-12-18(27-2)7-8-19(15)23-20(16)26/h3-8,11-12,25H,9-10,13H2,1-2H3,(H,22,28)(H,23,26)","AXRMMQKZPNXSNV-UHFFFAOYSA-N",22500]
[1505,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81904","O=C(Cn1nnc(n1)-c1cccs1)N1CCc2ccccc2C1","InChI=1S/C16H15N5OS/c22-15(20-8-7-12-4-1-2-5-13(12)10-20)11-21-18-16(17-19-21)14-6-3-9-23-14/h1-6,9H,7-8,10-11H2","TWSRTYYHXLBOCX-UHFFFAOYSA-N",32000]
[1506,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM47512","Cc1ccc(cc1)C(=O)CSc1nnc(COc2cccc3cccnc23)o1","InChI=1S/C21H17N3O3S/c1-14-7-9-15(10-8-14)17(25)13-28-21-24-23-19(27-21)12-26-18-6-2-4-16-5-3-11-22-20(16)18/h2-11H,12-13H2,1H3","BLNVPVBRBVPWPF-UHFFFAOYSA-N",50000]
[1507,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81903","NC(Cc1ccc2ccnc(N)c2c1)C(O)=O","InChI=1S/C12H13N3O2/c13-10(12(16)17)6-7-1-2-8-3-4-15-11(14)9(8)5-7/h1-5,10H,6,13H2,(H2,14,15)(H,16,17)","IFFBNDWTLOCJIQ-UHFFFAOYSA-N",145000]
[1508,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81902","NC(Cc1ccc2c(N)nccc2c1)C(O)=O","InChI=1S/C12H13N3O2/c13-10(12(16)17)6-7-1-2-9-8(5-7)3-4-15-11(9)14/h1-5,10H,6,13H2,(H2,14,15)(H,16,17)","VYOXWSYCVMFVEP-UHFFFAOYSA-N",220000]
[1509,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575776","Cc1ccc(cc1)-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O","InChI=1S/C23H30FN2O4P/c1-17-4-6-18(7-5-17)21-14-20(24)9-8-19(21)15-26-12-13-31(29,30)23(16-26,22(27)28)10-2-3-11-25/h4-9,14H,2-3,10-13,15-16,25H2,1H3,(H,27,28)(H,29,30)/t23-/m0/s1","FZBBTYWRMKWFCQ-QHCPKHFHSA-N",null,1]
[1510,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089758","CC12CCC(C(C1)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](Cc1ccc(N)nc1)C(O)=O)C2(C)C","InChI=1S/C28H43N5O4/c1-27(2)19-11-12-28(27,3)15-22(19)31-24(34)20(13-17-7-5-4-6-8-17)32-26(37)33-21(25(35)36)14-18-9-10-23(29)30-16-18/h9-10,16-17,19-22H,4-8,11-15H2,1-3H3,(H2,29,30)(H,31,34)(H,35,36)(H2,32,33,37)/t19?,20-,21+,22?,28?/m1/s1","IHZPIKIYQNIWSX-XVCFFUJGSA-N",null,1]
[1511,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144342","CC(C)(C)CCn1cnc(c1)C(C[C@H]1CC[C@H](N)C1)C(O)=O","InChI=1S/C17H29N3O2/c1-17(2,3)6-7-20-10-15(19-11-20)14(16(21)22)9-12-4-5-13(18)8-12/h10-14H,4-9,18H2,1-3H3,(H,21,22)/t12-,13-,14?/m0/s1","LDXGTVIJFDTJIE-RFHHWMCGSA-N",null,1]
[1512,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395735","CCC(=O)[Se]CC(CCCCCN)C(O)=O","InChI=1S/C11H21NO3Se/c1-2-10(13)16-8-9(11(14)15)6-4-3-5-7-12/h9H,2-8,12H2,1H3,(H,14,15)","BLOWBFVUAGFPRC-UHFFFAOYSA-N",null,1.1]
[1513,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50275212","CCC(=O)[Se]CC(Cc1cnc(N)c(Cl)c1)C(O)=O","InChI=1S/C12H15ClN2O3Se/c1-2-10(16)19-6-8(12(17)18)3-7-4-9(13)11(14)15-5-7/h4-5,8H,2-3,6H2,1H3,(H2,14,15)(H,17,18)","DMSZKGIZIIXNLW-UHFFFAOYSA-N",null,1.5]
[1514,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089688","CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](CCCNC(N)=N)C(O)=O","InChI=1S/C41H60N10O9/c1-24(2)33-37(56)46-30(20-17-26-15-18-28(52)19-16-26)38(57)51(4)25(3)34(53)47-32(23-27-11-6-5-7-12-27)35(54)44-21-9-8-13-29(36(55)50-33)48-41(60)49-31(39(58)59)14-10-22-45-40(42)43/h5-7,11-12,15-16,18-19,24-25,29-33,52H,8-10,13-14,17,20-23H2,1-4H3,(H,44,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H4,42,43,45)(H2,48,49,60)/t25-,29+,30-,31-,32-,33-/m0/s1","ZDOVFDLIJJGVQM-APNXPRSCSA-N",null,1.5]
[1515,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089687","CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](CCCNC(N)=N)C(O)=O","InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26-,30+,31-,32-,33-,34-/m0/s1","RAUPUVQHUFXDQT-IYLLGVDMSA-N",null,1.5]
[1516,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395731","CCOC(=O)C(C[Se]C(=O)CC)Cc1ccc(N)nc1","InChI=1S/C14H20N2O3Se/c1-3-13(17)20-9-11(14(18)19-4-2)7-10-5-6-12(15)16-8-10/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,15,16)","UHQFZYXCXBJDLU-UHFFFAOYSA-N",null,1.8]
[1517,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089686","CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C41H60N8O9/c1-25(2)34-38(54)44-31(21-18-27-16-19-29(50)20-17-27)39(55)49(4)26(3)35(51)45-33(24-28-12-6-5-7-13-28)36(52)43-23-11-9-14-30(37(53)48-34)46-41(58)47-32(40(56)57)15-8-10-22-42/h5-7,12-13,16-17,19-20,25-26,30-34,50H,8-11,14-15,18,21-24,42H2,1-4H3,(H,43,52)(H,44,54)(H,45,51)(H,48,53)(H,56,57)(H2,46,47,58)/t26-,30+,31-,32-,33-,34-/m0/s1","VNOIUJQJSYNRHB-NCUXDPMLSA-N",null,1.9]
[1518,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395737","NCCCCCC(C[Se][Se]CC(CCCCCN)C(O)=O)C(O)=O","InChI=1S/C16H32N2O4Se2/c17-9-5-1-3-7-13(15(19)20)11-23-24-12-14(16(21)22)8-4-2-6-10-18/h13-14H,1-12,17-18H2,(H,19,20)(H,21,22)","RUZIZPNQGMERCW-UHFFFAOYSA-N",null,2]
[1519,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144337","CC(C)CCCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O","InChI=1S/C17H24N4O2/c1-12(2)4-3-7-21-10-15(20-11-21)14(17(22)23)8-13-5-6-16(18)19-9-13/h5-6,9-12,14H,3-4,7-8H2,1-2H3,(H2,18,19)(H,22,23)","UFHFBHSKTSVCMN-UHFFFAOYSA-N",null,2]
[1520,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395732","Nc1ccc(CC(C[Se][Se]CC(Cc2ccc(N)nc2)C(O)=O)C(O)=O)cn1","InChI=1S/C18H22N4O4Se2/c19-15-3-1-11(7-21-15)5-13(17(23)24)9-27-28-10-14(18(25)26)6-12-2-4-16(20)22-8-12/h1-4,7-8,13-14H,5-6,9-10H2,(H2,19,21)(H2,20,22)(H,23,24)(H,25,26)","MYECLQPAUDYVIW-UHFFFAOYSA-N",null,2]
[1521,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575768","NCCCCC1(CN(Cc2ccccc2-c2cccnc2)CCP1(O)=O)C(O)=O","InChI=1S/C21H28N3O4P/c22-10-4-3-9-21(20(25)26)16-24(12-13-29(21,27)28)15-18-6-1-2-8-19(18)17-7-5-11-23-14-17/h1-2,5-8,11,14H,3-4,9-10,12-13,15-16,22H2,(H,25,26)(H,27,28)","ZARDBEAQXXDVBK-UHFFFAOYSA-N",null,2]
[1522,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395732","Nc1ccc(CC(C[Se][Se]CC(Cc2ccc(N)nc2)C(O)=O)C(O)=O)cn1","InChI=1S/C18H22N4O4Se2/c19-15-3-1-11(7-21-15)5-13(17(23)24)9-27-28-10-14(18(25)26)6-12-2-4-16(20)22-8-12/h1-4,7-8,13-14H,5-6,9-10H2,(H2,19,21)(H2,20,22)(H,23,24)(H,25,26)","MYECLQPAUDYVIW-UHFFFAOYSA-N",null,2.2]
[1523,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395730","Nc1ncc(CC(C[Se][Se]CC(Cc2cnc(N)c(Cl)c2)C(O)=O)C(O)=O)cc1Cl","InChI=1S/C18H20Cl2N4O4Se2/c19-13-3-9(5-23-15(13)21)1-11(17(25)26)7-29-30-8-12(18(27)28)2-10-4-14(20)16(22)24-6-10/h3-6,11-12H,1-2,7-8H2,(H2,21,23)(H2,22,24)(H,25,26)(H,27,28)","LKLRNWHRLUKWFJ-UHFFFAOYSA-N",null,2.5]
[1524,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109264","C[C@H]1CC[C@@H](CC1)n1cnc(C[C@H](CCCN)C(O)=O)c1","InChI=1S/C16H27N3O2/c1-12-4-6-15(7-5-12)19-10-14(18-11-19)9-13(16(20)21)3-2-8-17/h10-13,15H,2-9,17H2,1H3,(H,20,21)/t12-,13-,15-/m0/s1","AEHFUSPLVGWEEP-YDHLFZDLSA-N",null,2.6]
[1525,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135934","CC(C)CCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O","InChI=1S/C16H22N4O2/c1-11(2)5-6-20-9-14(19-10-20)13(16(21)22)7-12-3-4-15(17)18-8-12/h3-4,8-11,13H,5-7H2,1-2H3,(H2,17,18)(H,21,22)","FUZLEHIZFGSVSF-UHFFFAOYSA-N",null,2.7]
[1526,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089691","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C26H46N4O4/c1-25(2)18-12-13-26(25,3)16-21(18)28-22(31)20(15-17-9-5-4-6-10-17)30-24(34)29-19(23(32)33)11-7-8-14-27/h17-21H,4-16,27H2,1-3H3,(H,28,31)(H,32,33)(H2,29,30,34)/t18?,19-,20+,21?,26?/m0/s1","MARJTHQRTDYWGB-HPIYHLJDSA-N",null,3]
[1527,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197573","CC1(C)C2CCC1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C26H46N4O4/c1-25(2)18-12-13-26(25,3)21(16-18)30-22(31)20(15-17-9-5-4-6-10-17)29-24(34)28-19(23(32)33)11-7-8-14-27/h17-21H,4-16,27H2,1-3H3,(H,30,31)(H,32,33)(H2,28,29,34)/t18?,19-,20-,21-,26?/m0/s1","AUFLFYNRNWZZKB-SONHOIRQSA-N",null,3]
[1528,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395736","CCOC(=O)C(CCCCCN)C[Se]C(=O)CC","InChI=1S/C13H25NO3Se/c1-3-12(15)18-10-11(13(16)17-4-2)8-6-5-7-9-14/h11H,3-10,14H2,1-2H3","BOAPBPBQRLRKGC-UHFFFAOYSA-N",null,3]
[1529,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395740","CCOC(=O)C(CCCCCN)CSC(C)=O","InChI=1S/C12H23NO3S/c1-3-16-12(15)11(9-17-10(2)14)7-5-4-6-8-13/h11H,3-9,13H2,1-2H3","FHCMTCNRCACFAB-UHFFFAOYSA-N",null,3.1]
[1530,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395741","NCCCCCC(CS)C(O)=O","InChI=1S/C8H17NO2S/c9-5-3-1-2-4-7(6-12)8(10)11/h7,12H,1-6,9H2,(H,10,11)","OWVFNXQLXNWAHW-UHFFFAOYSA-N",null,3.4]
[1531,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50275212","CCC(=O)[Se]CC(Cc1cnc(N)c(Cl)c1)C(O)=O","InChI=1S/C12H15ClN2O3Se/c1-2-10(16)19-6-8(12(17)18)3-7-4-9(13)11(14)15-5-7/h4-5,8H,2-3,6H2,1H3,(H2,14,15)(H,17,18)","DMSZKGIZIIXNLW-UHFFFAOYSA-N",null,3.7]
[1532,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395737","NCCCCCC(C[Se][Se]CC(CCCCCN)C(O)=O)C(O)=O","InChI=1S/C16H32N2O4Se2/c17-9-5-1-3-7-13(15(19)20)11-23-24-12-14(16(21)22)8-4-2-6-10-18/h13-14H,1-12,17-18H2,(H,19,20)(H,21,22)","RUZIZPNQGMERCW-UHFFFAOYSA-N",null,">3.8"]
[1533,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395729","CCOC(=O)C(C[Se]C(=O)CC)Cc1cnc(N)c(Cl)c1","InChI=1S/C14H19ClN2O3Se/c1-3-12(18)21-8-10(14(19)20-4-2)5-9-6-11(15)13(16)17-7-9/h6-7,10H,3-5,8H2,1-2H3,(H2,16,17)","KUNRSCIAQGRNQR-UHFFFAOYSA-N",null,">3.8"]
[1534,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089756","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCNC(N)=N)C(O)=O","InChI=1S/C26H46N6O4/c1-25(2)17-11-12-26(25,3)15-20(17)30-21(33)19(14-16-8-5-4-6-9-16)32-24(36)31-18(22(34)35)10-7-13-29-23(27)28/h16-20H,4-15H2,1-3H3,(H,30,33)(H,34,35)(H4,27,28,29)(H2,31,32,36)/t17?,18-,19+,20?,26?/m0/s1","FRONFJPZPPGYAX-WKCFZQPLSA-N",null,4]
[1535,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201427","NC(N)=Nc1cccc(c1)C(CS)C(O)=O","InChI=1S/C10H13N3O2S/c11-10(12)13-7-3-1-2-6(4-7)8(5-16)9(14)15/h1-4,8,16H,5H2,(H,14,15)(H4,11,12,13)","YHBCRXAIIVZWEW-UHFFFAOYSA-N",null,4]
[1536,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089751","CC1(C)C2CCC1(C)CC2NC(=O)C(CC1CCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C25H44N4O4/c1-24(2)17-11-12-25(24,3)15-20(17)27-21(30)19(14-16-8-4-5-9-16)29-23(33)28-18(22(31)32)10-6-7-13-26/h16-20H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)(H2,28,29,33)/t17?,18-,19?,20?,25?/m0/s1","AFDQLRFIAXCERE-UQGFRLLMSA-N",null,4]
[1537,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089755","CC12CCC(C(C1)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CSCCN)C(O)=O)C2(C)C","InChI=1S/C25H44N4O4S/c1-24(2)17-9-10-25(24,3)14-19(17)27-21(30)18(13-16-7-5-4-6-8-16)28-23(33)29-20(22(31)32)15-34-12-11-26/h16-20H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)(H2,28,29,33)/t17?,18-,19?,20+,25?/m1/s1","LVFHNJLSTSKIOI-IFVPPNBGSA-N",null,4]
[1538,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395734","NCCCCCC(C[Se]C(=O)CCCc1ccccc1)C(O)=O","InChI=1S/C18H27NO3Se/c19-13-6-2-5-11-16(18(21)22)14-23-17(20)12-7-10-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14,19H2,(H,21,22)","KMMJFXKNWGNVOX-UHFFFAOYSA-N",null,4.1]
[1539,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326336","CC(C)(C)CCn1cnc(c1)[C@]1(C[C@@H]1CCCN)C(O)=O","InChI=1S/C16H27N3O2/c1-15(2,3)6-8-19-10-13(18-11-19)16(14(20)21)9-12(16)5-4-7-17/h10-12H,4-9,17H2,1-3H3,(H,20,21)/t12-,16+/m0/s1","OATNNVUVQQXLHN-BLLLJJGKSA-N",null,4.5]
[1540,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575770","COc1ccc(cn1)-c1ccccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O","InChI=1S/C22H30N3O5P/c1-30-20-9-8-17(14-24-20)19-7-3-2-6-18(19)15-25-12-13-31(28,29)22(16-25,21(26)27)10-4-5-11-23/h2-3,6-9,14H,4-5,10-13,15-16,23H2,1H3,(H,26,27)(H,28,29)/t22-/m0/s1","AVHRAGMQIMFUSI-QFIPXVFZSA-N",null,5]
[1541,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575775","NCCCC[C@]1(CN(Cc2ccc(F)cc2-c2cncnc2)CCP1(O)=O)C(O)=O","InChI=1S/C20H26FN4O4P/c21-17-4-3-15(18(9-17)16-10-23-14-24-11-16)12-25-7-8-30(28,29)20(13-25,19(26)27)5-1-2-6-22/h3-4,9-11,14H,1-2,5-8,12-13,22H2,(H,26,27)(H,28,29)/t20-/m0/s1","OMPACBMICGZNQY-FQEVSTJZSA-N",null,5]
[1542,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135934","CC(C)CCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O","InChI=1S/C16H22N4O2/c1-11(2)5-6-20-9-14(19-10-20)13(16(21)22)7-12-3-4-15(17)18-8-12/h3-4,8-11,13H,5-7H2,1-2H3,(H2,17,18)(H,21,22)","FUZLEHIZFGSVSF-UHFFFAOYSA-N",null,5]
[1543,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109265","C[C@@H](CN)C[C@@H](Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O","InChI=1S/C17H29N3O2/c1-12-3-5-16(6-4-12)20-10-15(19-11-20)8-14(17(21)22)7-13(2)9-18/h10-14,16H,3-9,18H2,1-2H3,(H,21,22)/t12-,13-,14+,16-/m1/s1","OMGSNJPCQBNRPB-HGTKMLMNSA-N",null,5.1]
[1544,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395733","NCCCCCC(C[Se]C(=O)CCc1ccccc1)C(O)=O","InChI=1S/C17H25NO3Se/c18-12-6-2-5-9-15(17(20)21)13-22-16(19)11-10-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13,18H2,(H,20,21)","JNRHODQLZKDDMA-UHFFFAOYSA-N",null,5.3]
[1545,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109258","C[C@H](CN)C[C@@H](Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O","InChI=1S/C17H29N3O2/c1-12-3-5-16(6-4-12)20-10-15(19-11-20)8-14(17(21)22)7-13(2)9-18/h10-14,16H,3-9,18H2,1-2H3,(H,21,22)/t12-,13-,14-,16-/m0/s1","OMGSNJPCQBNRPB-YXWQFLTLSA-N",null,5.4]
[1546,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395728","CC(C)[C@H](NC(=O)CCc1ccccc1)P(O)(=O)C[C@@H](CCCCCN)C(O)=O","InChI=1S/C21H35N2O5P/c1-16(2)20(23-19(24)13-12-17-9-5-3-6-10-17)29(27,28)15-18(21(25)26)11-7-4-8-14-22/h3,5-6,9-10,16,18,20H,4,7-8,11-15,22H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/t18-,20-/m1/s1","DEWOTLFUKYSXIE-UYAOXDASSA-N",null,5.5]
[1547,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173886","CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C25H40N4O6/c1-17(2)22-16-34-13-5-6-14-35-19-10-8-18(9-11-19)15-21(23(30)27-22)29-25(33)28-20(24(31)32)7-3-4-12-26/h8-11,17,20-22H,3-7,12-16,26H2,1-2H3,(H,27,30)(H,31,32)(H2,28,29,33)/t20-,21+,22+/m0/s1","LULOJIQVOUOYMX-BHDDXSALSA-N",null,6,{"$nulls":4},7.4,"25.00 C"]
[1548,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575780","Cn1cncc1-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O","InChI=1S/C20H28FN4O4P/c1-24-14-23-11-18(24)17-10-16(21)5-4-15(17)12-25-8-9-30(28,29)20(13-25,19(26)27)6-2-3-7-22/h4-5,10-11,14H,2-3,6-9,12-13,22H2,1H3,(H,26,27)(H,28,29)/t20-/m0/s1","ZBWZIBATIOSFOY-FQEVSTJZSA-N",null,6]
[1549,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135936","CCCCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O","InChI=1S/C15H20N4O2/c1-2-3-6-19-9-13(18-10-19)12(15(20)21)7-11-4-5-14(16)17-8-11/h4-5,8-10,12H,2-3,6-7H2,1H3,(H2,16,17)(H,20,21)","RCFXGCBFYOZPJW-UHFFFAOYSA-N",null,6]
[1550,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395739","CCOC(=O)C(CS)CCCCCN","InChI=1S/C10H21NO2S/c1-2-13-10(12)9(8-14)6-4-3-5-7-11/h9,14H,2-8,11H2,1H3","OCHZJRQCQXNQFN-UHFFFAOYSA-N",null,6.2]
[1551,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089691","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C26H46N4O4/c1-25(2)18-12-13-26(25,3)16-21(18)28-22(31)20(15-17-9-5-4-6-10-17)30-24(34)29-19(23(32)33)11-7-8-14-27/h17-21H,4-16,27H2,1-3H3,(H,28,31)(H,32,33)(H2,29,30,34)/t18?,19-,20+,21?,26?/m0/s1","MARJTHQRTDYWGB-HPIYHLJDSA-N",null,7]
[1552,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575769","NCCCCC1(CN(Cc2ccccc2-c2cncnc2)CCP1(O)=O)C(O)=O","InChI=1S/C20H27N4O4P/c21-8-4-3-7-20(19(25)26)14-24(9-10-29(20,27)28)13-16-5-1-2-6-18(16)17-11-22-15-23-12-17/h1-2,5-6,11-12,15H,3-4,7-10,13-14,21H2,(H,25,26)(H,27,28)","PNESMYMKIXRGDJ-UHFFFAOYSA-N",null,7]
[1553,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109254","C[C@H](CN)OC(Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O","InChI=1S/C16H27N3O3/c1-11-3-5-14(6-4-11)19-9-13(18-10-19)7-15(16(20)21)22-12(2)8-17/h9-12,14-15H,3-8,17H2,1-2H3,(H,20,21)/t11-,12-,14-,15?/m1/s1","SXFRUTCVXKOOAP-TVAMOIRASA-N",null,7]
[1554,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089749","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C23H40N4O4/c1-22(2)15-9-10-23(22,3)13-18(15)25-19(28)17(12-14-7-8-14)27-21(31)26-16(20(29)30)6-4-5-11-24/h14-18H,4-13,24H2,1-3H3,(H,25,28)(H,29,30)(H2,26,27,31)/t15?,16-,17+,18?,23?/m0/s1","PFLUEQHIMCTTNI-PPFFOOAHSA-N",null,7]
[1555,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109256","CC1(C)CCCC(C1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C17H29N3O2/c1-17(2)7-3-6-15(10-17)20-11-14(19-12-20)9-13(16(21)22)5-4-8-18/h11-13,15H,3-10,18H2,1-2H3,(H,21,22)","ILWZFIDDSWMJSL-UHFFFAOYSA-N",null,7.5]
[1556,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395735","CCC(=O)[Se]CC(CCCCCN)C(O)=O","InChI=1S/C11H21NO3Se/c1-2-10(13)16-8-9(11(14)15)6-4-3-5-7-12/h9H,2-8,12H2,1H3,(H,14,15)","BLOWBFVUAGFPRC-UHFFFAOYSA-N",null,7.6]
[1557,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173906","CC(C)[C@H]1COC\\C=C\\COc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C25H38N4O6/c1-17(2)22-16-34-13-5-6-14-35-19-10-8-18(9-11-19)15-21(23(30)27-22)29-25(33)28-20(24(31)32)7-3-4-12-26/h5-6,8-11,17,20-22H,3-4,7,12-16,26H2,1-2H3,(H,27,30)(H,31,32)(H2,28,29,33)/b6-5+/t20-,21+,22+/m0/s1","DWGPZJBQYFUONC-HVKQOZRQSA-N",null,7.7,{"$nulls":4},7.4,"25.00 C"]
[1558,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109252","C[C@H]1CC[C@@H](CC1)n1cnc(C[C@H](CCCN)C(O)=O)c1","InChI=1S/C16H27N3O2/c1-12-4-6-15(7-5-12)19-10-14(18-11-19)9-13(16(20)21)3-2-8-17/h10-13,15H,2-9,17H2,1H3,(H,20,21)/t12-,13-,15-/m0/s1","AEHFUSPLVGWEEP-YDHLFZDLSA-N",null,7.8]
[1559,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326397","CC[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C[C@]1(C(=O)OC)c1cn(cn1)-c1ccccc1","InChI=1S/C24H33N3O4/c1-6-17(14-25-22(29)31-23(2,3)4)12-18-13-24(18,21(28)30-5)20-15-27(16-26-20)19-10-8-7-9-11-19/h7-11,15-18H,6,12-14H2,1-5H3,(H,25,29)/t17-,18+,24-/m1/s1","XEAMWQOAIXEZGF-NXMSCROESA-N",null,7.9]
[1560,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575777","COc1ccc(cc1)-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O","InChI=1S/C23H30FN2O5P/c1-31-20-8-5-17(6-9-20)21-14-19(24)7-4-18(21)15-26-12-13-32(29,30)23(16-26,22(27)28)10-2-3-11-25/h4-9,14H,2-3,10-13,15-16,25H2,1H3,(H,27,28)(H,29,30)/t23-/m0/s1","FEJKEWIWGSFZML-QHCPKHFHSA-N",null,8]
[1561,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575779","COc1ccc(cc1OC)-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O","InChI=1S/C24H32FN2O6P/c1-32-21-8-6-17(13-22(21)33-2)20-14-19(25)7-5-18(20)15-27-11-12-34(30,31)24(16-27,23(28)29)9-3-4-10-26/h5-8,13-14H,3-4,9-12,15-16,26H2,1-2H3,(H,28,29)(H,30,31)/t24-/m0/s1","OMNZYBADSYJRIF-DEOSSOPVSA-N",null,8]
[1562,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008271","CCCn1cnc2C[C@@](CCCN)(CCc12)C(O)=O","InChI=1S/C14H23N3O2/c1-2-8-17-10-16-11-9-14(13(18)19,5-3-7-15)6-4-12(11)17/h10H,2-9,15H2,1H3,(H,18,19)/t14-/m1/s1","DPDWQELEXVLQSO-CQSZACIVSA-N",null,8]
[1563,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201438","NC(N)=NCCCC(CS)C(O)=O","InChI=1S/C7H15N3O2S/c8-7(9)10-3-1-2-5(4-13)6(11)12/h5,13H,1-4H2,(H,11,12)(H4,8,9,10)","JOVIPJZDTSYNNW-UHFFFAOYSA-N",null,8]
[1564,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109253","C[C@H]1CC[C@@H](CC1)n1cnc(CC(OCCN)C(O)=O)c1","InChI=1S/C15H25N3O3/c1-11-2-4-13(5-3-11)18-9-12(17-10-18)8-14(15(19)20)21-7-6-16/h9-11,13-14H,2-8,16H2,1H3,(H,19,20)/t11-,13-,14?","MYFSJRVPQSXHMT-LTXMZBCZSA-N",null,8.1]
[1565,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135939","NC(=N)CCCSCC(CS)C(O)=O","InChI=1S/C8H16N2O2S2/c9-7(10)2-1-3-14-5-6(4-13)8(11)12/h6,13H,1-5H2,(H3,9,10)(H,11,12)","NEFADNFNASLUBS-UHFFFAOYSA-N",null,8.2]
[1566,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109238","C[C@H]1CC[C@@H](CC1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C16H27N3O2/c1-12-4-6-15(7-5-12)19-10-14(18-11-19)9-13(16(20)21)3-2-8-17/h10-13,15H,2-9,17H2,1H3,(H,20,21)/t12-,13?,15-","AEHFUSPLVGWEEP-FFAOXRCVSA-N",null,8.3]
[1567,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326395","CC[C@@H](CN)CC1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C17H22N4O2/c1-2-12(9-18)7-13-8-17(13,16(22)23)14-10-21(11-20-14)15-5-3-4-6-19-15/h3-6,10-13H,2,7-9,18H2,1H3,(H,22,23)/t12-,13?,17-/m1/s1","BEUXTDNZDSFKGE-HTCLMOQTSA-N",null,8.3]
[1568,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326336","CC(C)(C)CCn1cnc(c1)[C@]1(C[C@@H]1CCCN)C(O)=O","InChI=1S/C16H27N3O2/c1-15(2,3)6-8-19-10-13(18-11-19)16(14(20)21)9-12(16)5-4-7-17/h10-12H,4-9,17H2,1-3H3,(H,20,21)/t12-,16+/m0/s1","OATNNVUVQQXLHN-BLLLJJGKSA-N",null,8.7]
[1569,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326393","C[C@@H](CN)C[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccc(C)cn1","InChI=1S/C17H22N4O2/c1-11-3-4-15(19-8-11)21-9-14(20-10-21)17(16(22)23)6-13(17)5-12(2)7-18/h3-4,8-10,12-13H,5-7,18H2,1-2H3,(H,22,23)/t12-,13+,17-/m1/s1","AAEAYCWJPQORII-IIYDPXPESA-N",null,8.7]
[1570,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109239","CC[C@H]1CC[C@@H](CC1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C17H29N3O2/c1-2-13-5-7-16(8-6-13)20-11-15(19-12-20)10-14(17(21)22)4-3-9-18/h11-14,16H,2-10,18H2,1H3,(H,21,22)/t13-,14?,16-","FDZCUYWSKODDEJ-AHJVLWBFSA-N",null,8.8]
[1571,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173904","CC(C)[C@H]1COCCCCCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C29H48N4O6/c1-21(2)26-20-38-17-9-5-3-4-6-10-18-39-23-14-12-22(13-15-23)19-25(27(34)31-26)33-29(37)32-24(28(35)36)11-7-8-16-30/h12-15,21,24-26H,3-11,16-20,30H2,1-2H3,(H,31,34)(H,35,36)(H2,32,33,37)/t24-,25+,26+/m0/s1","QXXFIOYJSRYYSJ-JIMJEQGWSA-N",null,8.8,{"$nulls":4},7.4,"25.00 C"]
[1572,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395731","CCOC(=O)C(C[Se]C(=O)CC)Cc1ccc(N)nc1","InChI=1S/C14H20N2O3Se/c1-3-13(17)20-9-11(14(18)19-4-2)7-10-5-6-12(15)16-8-10/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,15,16)","UHQFZYXCXBJDLU-UHFFFAOYSA-N",null,8.9]
[1573,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173918","CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)cc2","InChI=1S/C27H37N5O6/c1-17(2)23-16-37-11-3-4-12-38-20-8-5-18(6-9-20)13-21(25(33)30-23)31-27(36)32-22(26(34)35)14-19-7-10-24(28)29-15-19/h5-10,15,17,21-23H,3-4,11-14,16H2,1-2H3,(H2,28,29)(H,30,33)(H,34,35)(H2,31,32,36)/t21-,22+,23-/m1/s1","ZVEVQADHVAIPND-XPWALMASSA-N",null,9,{"$nulls":4},7.4,"25.00 C"]
[1574,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575771","Cn1nc(cc1-c1ccccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O)C(F)(F)F","InChI=1S/C21H28F3N4O4P/c1-27-17(12-18(26-27)21(22,23)24)16-7-3-2-6-15(16)13-28-10-11-33(31,32)20(14-28,19(29)30)8-4-5-9-25/h2-3,6-7,12H,4-5,8-11,13-14,25H2,1H3,(H,29,30)(H,31,32)/t20-/m0/s1","IUPWHEVNFCKRAD-FQEVSTJZSA-N",null,9]
[1575,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575772","NCCCC[C@]1(CN(Cc2ccc(O)cc2-c2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C22H29N2O5P/c23-11-5-4-10-22(21(26)27)16-24(12-13-30(22,28)29)15-18-8-9-19(25)14-20(18)17-6-2-1-3-7-17/h1-3,6-9,14,25H,4-5,10-13,15-16,23H2,(H,26,27)(H,28,29)/t22-/m0/s1","UUDVFKVEPYQVEW-QFIPXVFZSA-N",null,9]
[1576,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089750","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C24H42N4O4/c1-23(2)16-10-11-24(23,3)14-19(16)26-20(29)18(13-15-7-6-8-15)28-22(32)27-17(21(30)31)9-4-5-12-25/h15-19H,4-14,25H2,1-3H3,(H,26,29)(H,30,31)(H2,27,28,32)/t16?,17-,18+,19?,24?/m0/s1","IUEFDVNIRHIKQG-CVYVEZKBSA-N",null,9]
[1577,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109263","C[C@H]1CC[C@H](CC1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C16H27N3O2/c1-12-4-6-15(7-5-12)19-10-14(18-11-19)9-13(16(20)21)3-2-8-17/h10-13,15H,2-9,17H2,1H3,(H,20,21)/t12-,13?,15+","AEHFUSPLVGWEEP-UYULQCGDSA-N",null,9.3]
[1578,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109262","NCCCC(Cc1cn(cn1)[C@H]1CC[C@@H](CC1)Oc1ccncc1)C(O)=O","InChI=1S/C20H28N4O3/c21-9-1-2-15(20(25)26)12-16-13-24(14-23-16)17-3-5-18(6-4-17)27-19-7-10-22-11-8-19/h7-8,10-11,13-15,17-18H,1-6,9,12,21H2,(H,25,26)/t15?,17-,18-","WYBOFISFENYTDE-DNLFPKPLSA-N",null,9.8]
[1579,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50547476","CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)c2csc1n2)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C21H34N6O5S/c1-12(2)16-19-24-15(11-33-19)17(28)23-10-6-4-7-13(18(29)27-16)25-21(32)26-14(20(30)31)8-3-5-9-22/h11-14,16H,3-10,22H2,1-2H3,(H,23,28)(H,27,29)(H,30,31)(H2,25,26,32)/t13-,14+,16+/m1/s1","ZCHNTIJYUMFUTH-YCPHGPKFSA-N",null,10]
[1580,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575773","NCCCC[C@]1(CN(Cc2ccc(Cl)cc2-c2ccc(Cl)cc2)CCP1(O)=O)C(O)=O","InChI=1S/C22H27Cl2N2O4P/c23-18-6-3-16(4-7-18)20-13-19(24)8-5-17(20)14-26-11-12-31(29,30)22(15-26,21(27)28)9-1-2-10-25/h3-8,13H,1-2,9-12,14-15,25H2,(H,27,28)(H,29,30)/t22-/m0/s1","VBCOTJUTZGERNO-QFIPXVFZSA-N",null,10]
[1581,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109260","CCC(CN)CC(Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O","InChI=1S/C18H31N3O2/c1-3-14(10-19)8-15(18(22)23)9-16-11-21(12-20-16)17-6-4-13(2)5-7-17/h11-15,17H,3-10,19H2,1-2H3,(H,22,23)/t13-,14?,15?,17-","XGTOBTPXSATSQK-QHEDMNIESA-N",null,10]
[1582,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326383","NCCC[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C15H18N4O2/c16-6-3-4-11-8-15(11,14(20)21)12-9-19(10-18-12)13-5-1-2-7-17-13/h1-2,5,7,9-11H,3-4,6,8,16H2,(H,20,21)/t11-,15+/m0/s1","AQKZQQRNPNJJEQ-XHDPSFHLSA-N",null,11]
[1583,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326389","C[C@@H](CN)CC1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C16H20N4O2/c1-11(8-17)6-12-7-16(12,15(21)22)13-9-20(10-19-13)14-4-2-3-5-18-14/h2-5,9-12H,6-8,17H2,1H3,(H,21,22)/t11-,12?,16-/m1/s1","FKDQZBMTXAMQNM-DLTQXHKRSA-N",null,11]
[1584,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575774","NCCCC[C@]1(CN(Cc2ccc(F)cc2-c2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C22H28FN2O4P/c23-19-9-8-18(20(14-19)17-6-2-1-3-7-17)15-25-12-13-30(28,29)22(16-25,21(26)27)10-4-5-11-24/h1-3,6-9,14H,4-5,10-13,15-16,24H2,(H,26,27)(H,28,29)/t22-/m0/s1","MUVQYNFUWURBHA-QFIPXVFZSA-N",null,11]
[1585,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201439","NC(N)=Nc1ccc(Cl)c(c1)C(CS)C(O)=O","InChI=1S/C10H12ClN3O2S/c11-8-2-1-5(14-10(12)13)3-6(8)7(4-17)9(15)16/h1-3,7,17H,4H2,(H,15,16)(H4,12,13,14)","DDXTYELBFUMBFH-UHFFFAOYSA-N",null,11]
[1586,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173923","CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)cc2F","InChI=1S/C27H36FN5O6/c1-16(2)22-15-38-9-3-4-10-39-23-7-5-17(11-19(23)28)12-20(25(34)31-22)32-27(37)33-21(26(35)36)13-18-6-8-24(29)30-14-18/h5-8,11,14,16,20-22H,3-4,9-10,12-13,15H2,1-2H3,(H2,29,30)(H,31,34)(H,35,36)(H2,32,33,37)/t20-,21+,22-/m1/s1","PXDQHVXCCCTJKZ-BHIFYINESA-N",null,12,{"$nulls":4},7.4,"25.00 C"]
[1587,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197580","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C25H46N4O5S/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26/h17-21,28-29H,4-16,26H2,1-3H3,(H,27,30)(H,31,32)/t18-,19+,20+,21+,25+/m1/s1","IQHARPQKKWCGEY-PHGOAHNDSA-N",null,12]
[1588,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326398","CC[C@H](CN)C[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccc1","InChI=1S/C18H23N3O2/c1-2-13(10-19)8-14-9-18(14,17(22)23)16-11-21(12-20-16)15-6-4-3-5-7-15/h3-7,11-14H,2,8-10,19H2,1H3,(H,22,23)/t13-,14-,18+/m0/s1","AUTWIRMPGHMXAD-SUNYJGFJSA-N",null,12]
[1589,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326403","C[C@H](CCN)C1CC1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C16H20N4O2/c1-11(5-6-17)12-8-16(12,15(21)22)13-9-20(10-19-13)14-4-2-3-7-18-14/h2-4,7,9-12H,5-6,8,17H2,1H3,(H,21,22)/t11-,12?,16?/m1/s1","BBYNWGREASBBGG-OPGSHWCFSA-N",null,12]
[1590,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109249","NCCCC(Cc1cn(cn1)C1C2CC3CC(C2)CC1C3)C(O)=O","InChI=1S/C19H29N3O2/c20-3-1-2-14(19(23)24)9-17-10-22(11-21-17)18-15-5-12-4-13(7-15)8-16(18)6-12/h10-16,18H,1-9,20H2,(H,23,24)","WSBZOSHMXZRDKY-UHFFFAOYSA-N",null,12]
[1591,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144333","CC(C)CCCn1cnc(c1)C(Cc1cnc(N)c(C)c1)C(O)=O","InChI=1S/C18H26N4O2/c1-12(2)5-4-6-22-10-16(21-11-22)15(18(23)24)8-14-7-13(3)17(19)20-9-14/h7,9-12,15H,4-6,8H2,1-3H3,(H2,19,20)(H,23,24)","SCNVVBWMMXFKQU-UHFFFAOYSA-N",null,12]
[1592,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326365","NCCC[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccc1","InChI=1S/C16H19N3O2/c17-8-4-5-12-9-16(12,15(20)21)14-10-19(11-18-14)13-6-2-1-3-7-13/h1-3,6-7,10-12H,4-5,8-9,17H2,(H,20,21)/t12-,16+/m0/s1","YKCVEFPDNCZBMZ-BLLLJJGKSA-N",null,13]
[1593,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326388","CCC(CN)CC1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccc1","InChI=1S/C18H23N3O2/c1-2-13(10-19)8-14-9-18(14,17(22)23)16-11-21(12-20-16)15-6-4-3-5-7-15/h3-7,11-14H,2,8-10,19H2,1H3,(H,22,23)/t13?,14?,18-/m1/s1","AUTWIRMPGHMXAD-WTNGLUPJSA-N",null,13]
[1594,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109250","NCCCC(Cc1cn(cn1)[C@H]1CC[C@@H](CC1)Oc1ccccc1)C(O)=O","InChI=1S/C21H29N3O3/c22-12-4-5-16(21(25)26)13-17-14-24(15-23-17)18-8-10-20(11-9-18)27-19-6-2-1-3-7-19/h1-3,6-7,14-16,18,20H,4-5,8-13,22H2,(H,25,26)/t16?,18-,20-","ZALSOORDNKVPOI-WTXWRMNVSA-N",null,13]
[1595,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326340","C[C@H]1CC[C@@H](CC1)n1cnc(c1)C1(CC1CCCN)C(O)=O","InChI=1S/C17H27N3O2/c1-12-4-6-14(7-5-12)20-10-15(19-11-20)17(16(21)22)9-13(17)3-2-8-18/h10-14H,2-9,18H2,1H3,(H,21,22)/t12-,13?,14-,17?","IRURIAOJBDPHHN-YMMWLQRMSA-N",null,14]
[1596,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326385","COC(=O)[C@@]1(C[C@@H]1C[C@@H](C)CNC(=O)OC(C)(C)C)c1cn(cn1)-c1ccccc1","InChI=1S/C23H31N3O4/c1-16(13-24-21(28)30-22(2,3)4)11-17-12-23(17,20(27)29-5)19-14-26(15-25-19)18-9-7-6-8-10-18/h6-10,14-17H,11-13H2,1-5H3,(H,24,28)/t16-,17+,23-/m1/s1","HWBAEPQFGSMWCU-SAHWJRBASA-N",null,14]
[1597,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109240","CCC1CC(C1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C15H25N3O2/c1-2-11-6-14(7-11)18-9-13(17-10-18)8-12(15(19)20)4-3-5-16/h9-12,14H,2-8,16H2,1H3,(H,19,20)","NAMYEQZWSGWUPW-UHFFFAOYSA-N",null,14]
[1598,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109247","NCCCC(Cc1cn(cn1)[C@@H]1CC2CCC1C2)C(O)=O","InChI=1S/C16H25N3O2/c17-5-1-2-13(16(20)21)8-14-9-19(10-18-14)15-7-11-3-4-12(15)6-11/h9-13,15H,1-8,17H2,(H,20,21)/t11?,12?,13?,15-/m1/s1","MSFPTFZXHMPOFF-CDKPOMLUSA-N",null,14]
[1599,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326365","NCCC[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccc1","InChI=1S/C16H19N3O2/c17-8-4-5-12-9-16(12,15(20)21)14-10-19(11-18-14)13-6-2-1-3-7-13/h1-3,6-7,10-12H,4-5,8-9,17H2,(H,20,21)/t12-,16+/m0/s1","YKCVEFPDNCZBMZ-BLLLJJGKSA-N",null,15]
[1600,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089742","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](Cc1ccccc1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C26H40N4O4/c1-25(2)18-12-13-26(25,3)16-21(18)28-22(31)20(15-17-9-5-4-6-10-17)30-24(34)29-19(23(32)33)11-7-8-14-27/h4-6,9-10,18-21H,7-8,11-16,27H2,1-3H3,(H,28,31)(H,32,33)(H2,29,30,34)/t18?,19-,20+,21?,26?/m0/s1","AANQTNMGFYVHSF-HPIYHLJDSA-N",null,15]
[1601,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089748","CCC[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC1CC2(C)CCC1C2(C)C","InChI=1S/C22H40N4O4/c1-5-8-15(25-20(30)26-16(19(28)29)9-6-7-12-23)18(27)24-17-13-22(4)11-10-14(17)21(22,2)3/h14-17H,5-13,23H2,1-4H3,(H,24,27)(H,28,29)(H2,25,26,30)/t14?,15-,16+,17?,22?/m1/s1","DXLYYZBSYPQQBL-VFNIDKIXSA-N",null,15]
[1602,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326342","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(C)cc1","InChI=1S/C28H39N3O6/c1-19-11-13-21(14-12-19)30-17-22(29-18-30)28(23(32)35-8)16-20(28)10-9-15-31(24(33)36-26(2,3)4)25(34)37-27(5,6)7/h11-14,17-18,20H,9-10,15-16H2,1-8H3","DQTFKEIZUTYKSB-UHFFFAOYSA-N",null,16]
[1603,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326379","COc1ccc(nc1)-n1cnc(c1)C1(CC1CCCNC(=O)OC(C)(C)C)C#N","InChI=1S/C21H27N5O3/c1-20(2,3)29-19(27)23-9-5-6-15-10-21(15,13-22)17-12-26(14-25-17)18-8-7-16(28-4)11-24-18/h7-8,11-12,14-15H,5-6,9-10H2,1-4H3,(H,23,27)","QELFMTDIVROIAE-UHFFFAOYSA-N",null,16]
[1604,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326381","CC(C)(C)OC(=O)NCCCC1CC1(C#N)c1cn(cn1)-c1cc2ccccc2cn1","InChI=1S/C24H27N5O2/c1-23(2,3)31-22(30)26-10-6-9-19-12-24(19,15-25)20-14-29(16-28-20)21-11-17-7-4-5-8-18(17)13-27-21/h4-5,7-8,11,13-14,16,19H,6,9-10,12H2,1-3H3,(H,26,30)","XMTPTCDXVJZEJE-UHFFFAOYSA-N",null,16]
[1605,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173908","NCCCCC(NC(=O)N[C@@H]1CCCCCCCCOCCNC1=O)C(O)=O","InChI=1S/C19H36N4O5/c20-11-7-6-10-16(18(25)26)23-19(27)22-15-9-5-3-1-2-4-8-13-28-14-12-21-17(15)24/h15-16H,1-14,20H2,(H,21,24)(H,25,26)(H2,22,23,27)/t15-,16?/m1/s1","DVULGIIJYZWCHK-AAFJCEBUSA-N",null,17,{"$nulls":4},7.4,"25.00 C"]
[1606,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575764","NCCCCC1(CN(Cc2ccccc2-c2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C22H29N2O4P/c23-13-7-6-12-22(21(25)26)17-24(14-15-29(22,27)28)16-19-10-4-5-11-20(19)18-8-2-1-3-9-18/h1-5,8-11H,6-7,12-17,23H2,(H,25,26)(H,27,28)","TZBHVEYERYTMRS-UHFFFAOYSA-N",null,17]
[1607,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326384","Cc1ccc(nc1)-n1cnc(c1)C1(CC1CCCN)C(O)=O","InChI=1S/C16H20N4O2/c1-11-4-5-14(18-8-11)20-9-13(19-10-20)16(15(21)22)7-12(16)3-2-6-17/h4-5,8-10,12H,2-3,6-7,17H2,1H3,(H,21,22)","ZPFMNMNWJGHXRK-UHFFFAOYSA-N",null,18]
[1608,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109245","CC1CCCC(C1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C16H27N3O2/c1-12-4-2-6-15(8-12)19-10-14(18-11-19)9-13(16(20)21)5-3-7-17/h10-13,15H,2-9,17H2,1H3,(H,20,21)","RUGXMJXNVBQNEE-UHFFFAOYSA-N",null,18]
[1609,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089752","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCN)C(O)=O","InChI=1S/C25H44N4O4/c1-24(2)17-11-12-25(24,3)15-20(17)27-21(30)19(14-16-8-5-4-6-9-16)29-23(33)28-18(22(31)32)10-7-13-26/h16-20H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)(H2,28,29,33)/t17?,18-,19+,20?,25?/m0/s1","DIMNQIOXFWXAEU-QNRKRJGYSA-N",null,18]
[1610,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173903","CC(C)(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C26H42N4O6/c1-26(2,3)22-17-35-14-6-7-15-36-19-11-9-18(10-12-19)16-21(23(31)30-22)29-25(34)28-20(24(32)33)8-4-5-13-27/h9-12,20-22H,4-8,13-17,27H2,1-3H3,(H,30,31)(H,32,33)(H2,28,29,34)/t20-,21+,22+/m0/s1","YWHUEJHOMUURMA-BHDDXSALSA-N",null,19,{"$nulls":4},7.4,"25.00 C"]
[1611,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326376","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(F)cn1","InChI=1S/C27H37FN4O6/c1-8-36-22(33)27(20-16-31(17-30-20)21-12-11-19(28)15-29-21)14-18(27)10-9-13-32(23(34)37-25(2,3)4)24(35)38-26(5,6)7/h11-12,15-18H,8-10,13-14H2,1-7H3","GCUVSXYFBMENNG-UHFFFAOYSA-N",null,19]
[1612,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326399","Cc1ccnc(c1)-n1cnc(c1)C1(CC1CCCN)C(O)=O","InChI=1S/C16H20N4O2/c1-11-4-6-18-14(7-11)20-9-13(19-10-20)16(15(21)22)8-12(16)3-2-5-17/h4,6-7,9-10,12H,2-3,5,8,17H2,1H3,(H,21,22)","CRYYMVRUSLUZSY-UHFFFAOYSA-N",null,19]
[1613,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109244","CC1(O)CCC(CC1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C16H27N3O3/c1-16(22)6-4-14(5-7-16)19-10-13(18-11-19)9-12(15(20)21)3-2-8-17/h10-12,14,22H,2-9,17H2,1H3,(H,20,21)","GESSUOCTJXXJDY-UHFFFAOYSA-N",null,19]
[1614,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109261","NCCCC(Cc1cn(cn1)[C@@H]1CC[C@H](O)CC1)C(O)=O","InChI=1S/C15H25N3O3/c16-7-1-2-11(15(20)21)8-12-9-18(10-17-12)13-3-5-14(19)6-4-13/h9-11,13-14,19H,1-8,16H2,(H,20,21)/t11?,13-,14+","CEXOYROFZTUKIF-QXMXGUDHSA-N",null,19]
[1615,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089707","NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NC1C2CC3CC(C2)CC1C3)C(O)=O","InChI=1S/C26H44N4O4/c27-9-5-4-8-21(25(32)33)28-26(34)29-22(15-16-6-2-1-3-7-16)24(31)30-23-19-11-17-10-18(13-19)14-20(23)12-17/h16-23H,1-15,27H2,(H,30,31)(H,32,33)(H2,28,29,34)/t17?,18?,19?,20?,21-,22+,23?/m0/s1","UHQNMIWTWXKYFL-DUZZCOBJSA-N",null,19]
[1616,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173922","CC(C)[C@H]1COCCCCc2ccc(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)cc2","InChI=1S/C27H37N5O5/c1-17(2)23-16-37-12-4-3-5-18-6-8-19(9-7-18)13-21(25(33)30-23)31-27(36)32-22(26(34)35)14-20-10-11-24(28)29-15-20/h6-11,15,17,21-23H,3-5,12-14,16H2,1-2H3,(H2,28,29)(H,30,33)(H,34,35)(H2,31,32,36)/t21-,22+,23-/m1/s1","OAJFUQYROAKCKW-XPWALMASSA-N",null,21,{"$nulls":4},7.4,"25.00 C"]
[1617,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326350","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(F)cc1","InChI=1S/C27H36FN3O6/c1-25(2,3)36-23(33)31(24(34)37-26(4,5)6)14-8-9-18-15-27(18,22(32)35-7)21-16-30(17-29-21)20-12-10-19(28)11-13-20/h10-13,16-18H,8-9,14-15H2,1-7H3","MBMPZGJMHDYWBV-UHFFFAOYSA-N",null,21]
[1618,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109237","NCCCC(Cc1cn(cn1)C1CCCCC1)C(O)=O","InChI=1S/C15H25N3O2/c16-8-4-5-12(15(19)20)9-13-10-18(11-17-13)14-6-2-1-3-7-14/h10-12,14H,1-9,16H2,(H,19,20)","FNFACZYHQHRMSK-UHFFFAOYSA-N",null,21]
[1619,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109242","NCCCC(Cc1cn(cn1)[C@H]1C[C@@H]2C[C@@H]2C1)C(O)=O","InChI=1S/C15H23N3O2/c16-3-1-2-10(15(19)20)5-13-8-18(9-17-13)14-6-11-4-12(11)7-14/h8-12,14H,1-7,16H2,(H,19,20)/t10?,11-,12+,14-","ZZLRTOGULJOLII-NPORBRKHSA-N",null,21]
[1620,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109246","NCCCC(Cc1cn(cn1)C1CCCCCC1)C(O)=O","InChI=1S/C16H27N3O2/c17-9-5-6-13(16(20)21)10-14-11-19(12-18-14)15-7-3-1-2-4-8-15/h11-13,15H,1-10,17H2,(H,20,21)","MHKMIQNCAHVRCX-UHFFFAOYSA-N",null,21]
[1621,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109255","C[C@H]1CC[C@@H](CC1)n1cnc(CC(N2CC[C@H](N)C2)C(O)=O)c1","InChI=1S/C17H28N4O2/c1-12-2-4-15(5-3-12)21-10-14(19-11-21)8-16(17(22)23)20-7-6-13(18)9-20/h10-13,15-16H,2-9,18H2,1H3,(H,22,23)/t12-,13-,15-,16?/m0/s1","VWNRFOAGDPZBET-ALLFYKQTSA-N",null,21]
[1622,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135935","Nc1ccc(CC(C(O)=O)c2cn(Cc3ccccc3)cn2)cn1","InChI=1S/C18H18N4O2/c19-17-7-6-14(9-20-17)8-15(18(23)24)16-11-22(12-21-16)10-13-4-2-1-3-5-13/h1-7,9,11-12,15H,8,10H2,(H2,19,20)(H,23,24)","JEQHGJNDKUBBFJ-UHFFFAOYSA-N",null,21]
[1623,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173926","CC(C)[C@H]1COCCC(=O)Nc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C24H37N5O6/c1-15(2)20-14-35-12-10-21(30)26-17-8-6-16(7-9-17)13-19(22(31)27-20)29-24(34)28-18(23(32)33)5-3-4-11-25/h6-9,15,18-20H,3-5,10-14,25H2,1-2H3,(H,26,30)(H,27,31)(H,32,33)(H2,28,29,34)/t18-,19+,20+/m0/s1","VSIDOZVYCSEJST-XUVXKRRUSA-N",null,22,{"$nulls":4},7.4,"25.00 C"]
[1624,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM173926","CC(C)[C@H]1COCCC(=O)Nc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C24H37N5O6/c1-15(2)20-14-35-12-10-21(30)26-17-8-6-16(7-9-17)13-19(22(31)27-20)29-24(34)28-18(23(32)33)5-3-4-11-25/h6-9,15,18-20H,3-5,10-14,25H2,1-2H3,(H,26,30)(H,27,31)(H,32,33)(H2,28,29,34)/t18-,19+,20+/m0/s1","VSIDOZVYCSEJST-XUVXKRRUSA-N",null,22]
[1625,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173929","CC(C)[C@H]1COCC(O)C(O)COc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C25H40N4O8/c1-15(2)20-12-36-13-21(30)22(31)14-37-17-8-6-16(7-9-17)11-19(23(32)27-20)29-25(35)28-18(24(33)34)5-3-4-10-26/h6-9,15,18-22,30-31H,3-5,10-14,26H2,1-2H3,(H,27,32)(H,33,34)(H2,28,29,35)/t18-,19+,20+,21?,22?/m0/s1","SMXQWQOLIUDIHX-HOGRCIIVSA-N",null,23,{"$nulls":4},7.4,"25.00 C"]
[1626,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144336","CC(C)CCn1cnc(c1)C(Cc1cnc(N)c(C)c1)C(O)=O","InChI=1S/C17H24N4O2/c1-11(2)4-5-21-9-15(20-10-21)14(17(22)23)7-13-6-12(3)16(18)19-8-13/h6,8-11,14H,4-5,7H2,1-3H3,(H2,18,19)(H,22,23)","OZYRJZYEHVFCDS-UHFFFAOYSA-N",null,23]
[1627,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144317","CC(C)CCn1cnc(c1)C(CCCCN)C(O)=O","InChI=1S/C14H25N3O2/c1-11(2)6-8-17-9-13(16-10-17)12(14(18)19)5-3-4-7-15/h9-12H,3-8,15H2,1-2H3,(H,18,19)","AOIWFDFLMKUPPW-UHFFFAOYSA-N",null,24]
[1628,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326353","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(Cl)cc1","InChI=1S/C28H38ClN3O6/c1-8-36-23(33)28(22-17-31(18-30-22)21-13-11-20(29)12-14-21)16-19(28)10-9-15-32(24(34)37-26(2,3)4)25(35)38-27(5,6)7/h11-14,17-19H,8-10,15-16H2,1-7H3","QQHICDIVRINOOI-UHFFFAOYSA-N",null,25]
[1629,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109248","NCCCC(Cc1cn(cn1)[C@H]1CC2CCC1C2)C(O)=O","InChI=1S/C16H25N3O2/c17-5-1-2-13(16(20)21)8-14-9-19(10-18-14)15-7-11-3-4-12(15)6-11/h9-13,15H,1-8,17H2,(H,20,21)/t11?,12?,13?,15-/m0/s1","MSFPTFZXHMPOFF-WOFVOEOOSA-N",null,25]
[1630,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326378","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc2occc2c1","InChI=1S/C29H37N3O7/c1-27(2,3)38-25(34)32(26(35)39-28(4,5)6)13-8-9-20-16-29(20,24(33)36-7)23-17-31(18-30-23)21-10-11-22-19(15-21)12-14-37-22/h10-12,14-15,17-18,20H,8-9,13,16H2,1-7H3","HWWBGIAPNXCOMA-UHFFFAOYSA-N",null,26]
[1631,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109243","NCCCC(Cc1cn(cn1)[C@H]1CC[C@H](O)CC1)C(O)=O","InChI=1S/C15H25N3O3/c16-7-1-2-11(15(20)21)8-12-9-18(10-17-12)13-3-5-14(19)6-4-13/h9-11,13-14,19H,1-8,16H2,(H,20,21)/t11?,13-,14-","CEXOYROFZTUKIF-RCWADLFESA-N",null,26]
[1632,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197528","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1ccc(N)nc1)C(O)=O","InChI=1S/C27H43N5O5S/c1-26(2)19-11-12-27(26,3)22(15-19)30-24(33)20(13-17-7-5-4-6-8-17)31-38(36,37)32-21(25(34)35)14-18-9-10-23(28)29-16-18/h9-10,16-17,19-22,31-32H,4-8,11-15H2,1-3H3,(H2,28,29)(H,30,33)(H,34,35)/t19-,20+,21+,22+,27+/m1/s1","QHXMEEQJYRVZQW-HKVSAHRDSA-N",null,26]
[1633,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326356","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc2ccccc2c1","InChI=1S/C32H41N3O6/c1-8-39-27(36)32(26-20-34(21-33-26)25-16-15-22-12-9-10-13-23(22)18-25)19-24(32)14-11-17-35(28(37)40-30(2,3)4)29(38)41-31(5,6)7/h9-10,12-13,15-16,18,20-21,24H,8,11,14,17,19H2,1-7H3","OOSFUHURBBEUAN-UHFFFAOYSA-N",null,27]
[1634,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326341","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccccc1","InChI=1S/C27H37N3O6/c1-25(2,3)35-23(32)30(24(33)36-26(4,5)6)15-11-12-19-16-27(19,22(31)34-7)21-17-29(18-28-21)20-13-9-8-10-14-20/h8-10,13-14,17-19H,11-12,15-16H2,1-7H3","UJVDFWJVJPJVJK-UHFFFAOYSA-N",null,27]
[1635,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173902","C[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C23H36N4O6/c1-16-15-32-12-4-5-13-33-18-9-7-17(8-10-18)14-20(21(28)25-16)27-23(31)26-19(22(29)30)6-2-3-11-24/h7-10,16,19-20H,2-6,11-15,24H2,1H3,(H,25,28)(H,29,30)(H2,26,27,31)/t16-,19-,20+/m0/s1","YWCJFURUASFZHP-FFZOFVMBSA-N",null,29,{"$nulls":4},7.4,"25.00 C"]
[1636,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326339","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)C1CCCCC1","InChI=1S/C27H43N3O6/c1-25(2,3)35-23(32)30(24(33)36-26(4,5)6)15-11-12-19-16-27(19,22(31)34-7)21-17-29(18-28-21)20-13-9-8-10-14-20/h17-20H,8-16H2,1-7H3","QEDCJYLUJWBGTA-UHFFFAOYSA-N",null,29]
[1637,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326360","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccccn1","InChI=1S/C27H38N4O6/c1-8-35-22(32)27(20-17-30(18-29-20)21-13-9-10-14-28-21)16-19(27)12-11-15-31(23(33)36-25(2,3)4)24(34)37-26(5,6)7/h9-10,13-14,17-19H,8,11-12,15-16H2,1-7H3","IUDKZRZTRYNEKG-UHFFFAOYSA-N",null,29]
[1638,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326375","CC(C)(C)OC(=O)N(CCCC1CC1(C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(cc1)[N+]#[C-])C(=O)OC(C)(C)C","InChI=1S/C31H42N4O6/c1-28(2,3)39-25(36)31(24-19-34(20-33-24)23-15-13-22(32-10)14-16-23)18-21(31)12-11-17-35(26(37)40-29(4,5)6)27(38)41-30(7,8)9/h13-16,19-21H,11-12,17-18H2,1-9H3","FLSIKRXJRXEXHX-UHFFFAOYSA-N",null,29]
[1639,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326374","CC(C)(C)OC(=O)N(CCCC1CC1(C(=O)OC(C)(C)C)c1cn(cn1)-c1ncccn1)C(=O)OC(C)(C)C","InChI=1S/C28H41N5O6/c1-25(2,3)37-21(34)28(20-17-32(18-31-20)22-29-13-11-14-30-22)16-19(28)12-10-15-33(23(35)38-26(4,5)6)24(36)39-27(7,8)9/h11,13-14,17-19H,10,12,15-16H2,1-9H3","OJVIIJZFNGAOQG-UHFFFAOYSA-N",null,30]
[1640,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326346","CCc1ccc(cc1)-n1cnc(c1)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC","InChI=1S/C29H41N3O6/c1-9-20-12-14-22(15-13-20)31-18-23(30-19-31)29(24(33)36-8)17-21(29)11-10-16-32(25(34)37-27(2,3)4)26(35)38-28(5,6)7/h12-15,18-19,21H,9-11,16-17H2,1-8H3","LLJRRPLGGDYOEA-UHFFFAOYSA-N",null,31]
[1641,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089702","NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O","InChI=1S/C26H44N4O4/c27-9-5-4-8-21(24(32)33)28-25(34)29-22(13-17-6-2-1-3-7-17)23(31)30-26-14-18-10-19(15-26)12-20(11-18)16-26/h17-22H,1-16,27H2,(H,30,31)(H,32,33)(H2,28,29,34)/t18?,19?,20?,21-,22+,26?/m0/s1","VKZAQVIYSIRHRU-LJHZMQABSA-N",null,31]
[1642,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575778","COc1ccc(cc1)-c1cccc(F)c1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O","InChI=1S/C23H30FN2O5P/c1-31-18-9-7-17(8-10-18)19-5-4-6-21(24)20(19)15-26-13-14-32(29,30)23(16-26,22(27)28)11-2-3-12-25/h4-10H,2-3,11-16,25H2,1H3,(H,27,28)(H,29,30)/t23-/m0/s1","ODYNRMOUMKLRNU-QHCPKHFHSA-N",null,31]
[1643,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173920","Nc1ccc(C[C@H](NC(=O)N[C@@H]2Cc3ccc(OCCCCOC[C@@H](NC2=O)C2CC2)cc3)C(O)=O)cn1","InChI=1S/C27H35N5O6/c28-24-10-5-18(15-29-24)14-22(26(34)35)32-27(36)31-21-13-17-3-8-20(9-4-17)38-12-2-1-11-37-16-23(19-6-7-19)30-25(21)33/h3-5,8-10,15,19,21-23H,1-2,6-7,11-14,16H2,(H2,28,29)(H,30,33)(H,34,35)(H2,31,32,36)/t21-,22+,23-/m1/s1","PZGKNOUEAVBGDC-XPWALMASSA-N",null,32,{"$nulls":4},7.4,"25.00 C"]
[1644,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326391","C[C@H](CN)CC1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C16H20N4O2/c1-11(8-17)6-12-7-16(12,15(21)22)13-9-20(10-19-13)14-4-2-3-5-18-14/h2-5,9-12H,6-8,17H2,1H3,(H,21,22)/t11-,12?,16+/m0/s1","FKDQZBMTXAMQNM-QRUKAPELSA-N",null,33]
[1645,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173930","CC(C)[C@H]1COCC(O)CCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C25H40N4O7/c1-16(2)22-15-35-14-18(30)10-12-36-19-8-6-17(7-9-19)13-21(23(31)27-22)29-25(34)28-20(24(32)33)5-3-4-11-26/h6-9,16,18,20-22,30H,3-5,10-15,26H2,1-2H3,(H,27,31)(H,32,33)(H2,28,29,34)/t18?,20-,21+,22+/m0/s1","HRYCSZDOJDGWOJ-DGWNDXHESA-N",null,33,{"$nulls":4},7.4,"25.00 C"]
[1646,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109257","C[C@H](CN)C[C@H](Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O","InChI=1S/C17H29N3O2/c1-12-3-5-16(6-4-12)20-10-15(19-11-20)8-14(17(21)22)7-13(2)9-18/h10-14,16H,3-9,18H2,1-2H3,(H,21,22)/t12-,13-,14+,16-/m0/s1","OMGSNJPCQBNRPB-AYDFFVQHSA-N",null,34]
[1647,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326367","COC(=O)C1(CC1CC(C)CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccccc1","InChI=1S/C28H39N3O6/c1-19(16-31(24(33)36-26(2,3)4)25(34)37-27(5,6)7)14-20-15-28(20,23(32)35-8)22-17-30(18-29-22)21-12-10-9-11-13-21/h9-13,17-20H,14-16H2,1-8H3","LUBPGZAVMNOCDD-UHFFFAOYSA-N",null,35]
[1648,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326386","C[C@H](CN)C[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccc1","InChI=1S/C17H21N3O2/c1-12(9-18)7-13-8-17(13,16(21)22)15-10-20(11-19-15)14-5-3-2-4-6-14/h2-6,10-13H,7-9,18H2,1H3,(H,21,22)/t12-,13-,17+/m0/s1","TYNKRGKXUGBUBH-GDZNZVCISA-N",null,35]
[1649,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109241","CC1CC(C1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C14H23N3O2/c1-10-5-13(6-10)17-8-12(16-9-17)7-11(14(18)19)3-2-4-15/h8-11,13H,2-7,15H2,1H3,(H,18,19)","RVVSJGCFVKMYPN-UHFFFAOYSA-N",null,35]
[1650,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326371","CC(CCN)C1CC1(C(O)=O)c1cn(cn1)-c1ccccc1","InChI=1S/C17H21N3O2/c1-12(7-8-18)14-9-17(14,16(21)22)15-10-20(11-19-15)13-5-3-2-4-6-13/h2-6,10-12,14H,7-9,18H2,1H3,(H,21,22)","LIFRHKYTAAVMDJ-UHFFFAOYSA-N",null,36]
[1651,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135940","CCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O","InChI=1S/C13H16N4O2/c1-2-17-7-11(16-8-17)10(13(18)19)5-9-3-4-12(14)15-6-9/h3-4,6-8,10H,2,5H2,1H3,(H2,14,15)(H,18,19)","HWISMQLAUIIGRF-UHFFFAOYSA-N",null,36]
[1652,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326347","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(OC)cc1","InChI=1S/C28H39N3O7/c1-26(2,3)37-24(33)31(25(34)38-27(4,5)6)15-9-10-19-16-28(19,23(32)36-8)22-17-30(18-29-22)20-11-13-21(35-7)14-12-20/h11-14,17-19H,9-10,15-16H2,1-8H3","SLLSMVYOQQRTFQ-UHFFFAOYSA-N",null,36]
[1653,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326343","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1cccc(C)c1","InChI=1S/C28H39N3O6/c1-19-11-9-13-21(15-19)30-17-22(29-18-30)28(23(32)35-8)16-20(28)12-10-14-31(24(33)36-26(2,3)4)25(34)37-27(5,6)7/h9,11,13,15,17-18,20H,10,12,14,16H2,1-8H3","JKNYRAZXPDRPMD-UHFFFAOYSA-N",null,37]
[1654,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201428","OC(=O)C(CS)C1CCNCC1","InChI=1S/C8H15NO2S/c10-8(11)7(5-12)6-1-3-9-4-2-6/h6-7,9,12H,1-5H2,(H,10,11)","AYOUKDACKXEDFA-UHFFFAOYSA-N",null,37]
[1655,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089754","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CS(=O)(=O)CCN)C(O)=O","InChI=1S/C25H44N4O6S/c1-24(2)17-9-10-25(24,3)14-19(17)27-21(30)18(13-16-7-5-4-6-8-16)28-23(33)29-20(22(31)32)15-36(34,35)12-11-26/h16-20H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)(H2,28,29,33)/t17?,18-,19?,20+,25?/m1/s1","NMYGKFJQKUMIDO-IFVPPNBGSA-N",null,38]
[1656,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197541","NCCCC[C@H](NC(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CC2CCC1C2)C(O)=O","InChI=1S/C23H40N4O4/c24-11-5-4-8-18(22(29)30)26-23(31)27-20(13-15-6-2-1-3-7-15)21(28)25-19-14-16-9-10-17(19)12-16/h15-20H,1-14,24H2,(H,25,28)(H,29,30)(H2,26,27,31)/t16?,17?,18-,19?,20-/m0/s1","HKPGTWCJLYFZSN-KJPRWFPHSA-N",null,38]
[1657,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326368","COC(=O)C1(CC1CC(C)CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(C)cc1","InChI=1S/C29H41N3O6/c1-19-10-12-22(13-11-19)31-17-23(30-18-31)29(24(33)36-9)15-21(29)14-20(2)16-32(25(34)37-27(3,4)5)26(35)38-28(6,7)8/h10-13,17-18,20-21H,14-16H2,1-9H3","WUABPXZRIPMTOY-UHFFFAOYSA-N",null,39]
[1658,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089741","NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NC1CC2CCC1C2)C(O)=O","InChI=1S/C23H40N4O4/c24-11-5-4-8-18(22(29)30)26-23(31)27-20(13-15-6-2-1-3-7-15)21(28)25-19-14-16-9-10-17(19)12-16/h15-20H,1-14,24H2,(H,25,28)(H,29,30)(H2,26,27,31)/t16?,17?,18-,19?,20+/m0/s1","HKPGTWCJLYFZSN-AXGZHYKBSA-N",null,39]
[1659,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326357","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1cccc(F)c1","InChI=1S/C28H38FN3O6/c1-8-36-23(33)28(22-17-31(18-30-22)21-13-9-12-20(29)15-21)16-19(28)11-10-14-32(24(34)37-26(2,3)4)25(35)38-27(5,6)7/h9,12-13,15,17-19H,8,10-11,14,16H2,1-7H3","GNXBOSHAQUUWGX-UHFFFAOYSA-N",null,40]
[1660,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173928","CC(C)[C@H]1COCCNC(=O)c2ccc(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)cc2","InChI=1S/C26H34N6O6/c1-15(2)21-14-38-10-9-28-23(33)18-6-3-16(4-7-18)11-19(24(34)30-21)31-26(37)32-20(25(35)36)12-17-5-8-22(27)29-13-17/h3-8,13,15,19-21H,9-12,14H2,1-2H3,(H2,27,29)(H,28,33)(H,30,34)(H,35,36)(H2,31,32,37)/t19-,20+,21-/m1/s1","TXPMYHVVLIAOAI-QHAWAJNXSA-N",null,40,{"$nulls":4},7.4,"25.00 C"]
[1661,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326401","CCC[C@@H](CN)C[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C18H24N4O2/c1-2-5-13(10-19)8-14-9-18(14,17(23)24)15-11-22(12-21-15)16-6-3-4-7-20-16/h3-4,6-7,11-14H,2,5,8-10,19H2,1H3,(H,23,24)/t13-,14+,18-/m1/s1","VWJRFIBJYVHSGS-QWQRMKEZSA-N",null,41]
[1662,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008272","CC(C)CCn1cnc2C[C@@](CCCN)(CCc12)C(O)=O","InChI=1S/C16H27N3O2.ClH/c1-12(2)5-9-19-11-18-13-10-16(15(20)21,6-3-8-17)7-4-14(13)19;/h11-12H,3-10,17H2,1-2H3,(H,20,21);1H/t16-;/m1./s1","ZKDOGGVTIBLFAB-PKLMIRHRSA-N",null,"<41"]
[1663,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008279","Cl.NCCC[C@]1(CCn2c(C1)ncc2-c1cccc(c1)-c1ccc(Cl)cc1Cl)C(O)=O","InChI=1S/C23H23Cl2N3O2.ClH/c24-17-5-6-18(19(25)12-17)15-3-1-4-16(11-15)20-14-27-21-13-23(22(29)30,7-2-9-26)8-10-28(20)21;/h1,3-6,11-12,14H,2,7-10,13,26H2,(H,29,30);1H/t23-;/m1./s1","IOOZRTSDGXVNMZ-GNAFDRTKSA-N",null,"<41"]
[1664,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326345","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(C)c(C)c1","InChI=1S/C29H41N3O6/c1-19-12-13-22(15-20(19)2)31-17-23(30-18-31)29(24(33)36-9)16-21(29)11-10-14-32(25(34)37-27(3,4)5)26(35)38-28(6,7)8/h12-13,15,17-18,21H,10-11,14,16H2,1-9H3","MBUJRUXYFIOFLK-UHFFFAOYSA-N",null,42]
[1665,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50547477","CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)c2coc1n2)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C21H34N6O6/c1-12(2)16-19-24-15(11-33-19)17(28)23-10-6-4-7-13(18(29)27-16)25-21(32)26-14(20(30)31)8-3-5-9-22/h11-14,16H,3-10,22H2,1-2H3,(H,23,28)(H,27,29)(H,30,31)(H2,25,26,32)/t13-,14+,16+/m1/s1","IVSZWCXUYIMPML-YCPHGPKFSA-N",null,42]
[1666,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197542","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCNC(N)=N)C(O)=O","InChI=1S/C25H46N6O5S/c1-24(2)17-11-12-25(24,3)20(15-17)29-21(32)19(14-16-8-5-4-6-9-16)31-37(35,36)30-18(22(33)34)10-7-13-28-23(26)27/h16-20,30-31H,4-15H2,1-3H3,(H,29,32)(H,33,34)(H4,26,27,28)/t17-,18+,19+,20+,25+/m1/s1","IXONGSRYYIUNOM-PDGNJTGUSA-N",null,49]
[1667,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173900","CCC[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C25H40N4O6/c1-2-7-19-17-34-14-5-6-15-35-20-11-9-18(10-12-20)16-22(23(30)27-19)29-25(33)28-21(24(31)32)8-3-4-13-26/h9-12,19,21-22H,2-8,13-17,26H2,1H3,(H,27,30)(H,31,32)(H2,28,29,33)/t19-,21-,22+/m0/s1","MUSDITPAESWTFE-ILWGZMRPSA-N",null,49,{"$nulls":4},7.4,"25.00 C"]
[1668,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135937","Cn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O","InChI=1S/C12H14N4O2/c1-16-6-10(15-7-16)9(12(17)18)4-8-2-3-11(13)14-5-8/h2-3,5-7,9H,4H2,1H3,(H2,13,14)(H,17,18)","LWFBPJVVEKHBIQ-UHFFFAOYSA-N",null,50]
[1669,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197526","Cl.CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C25H46N4O5S.ClH/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26;/h17-21,28-29H,4-16,26H2,1-3H3,(H,27,30)(H,31,32);1H/t18-,19+,20+,21+,25+;/m1./s1","SXAUCWSUBICAAS-LZZNFXAASA-N",null,51]
[1670,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326351","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(Oc2ccccc2)cc1","InChI=1S/C33H41N3O7/c1-31(2,3)42-29(38)36(30(39)43-32(4,5)6)19-11-12-23-20-33(23,28(37)40-7)27-21-35(22-34-27)24-15-17-26(18-16-24)41-25-13-9-8-10-14-25/h8-10,13-18,21-23H,11-12,19-20H2,1-7H3","IZYLTBGVWKUOEO-UHFFFAOYSA-N",null,52]
[1671,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135938","CC(C)n1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O","InChI=1S/C14H18N4O2/c1-9(2)18-7-12(17-8-18)11(14(19)20)5-10-3-4-13(15)16-6-10/h3-4,6-9,11H,5H2,1-2H3,(H2,15,16)(H,19,20)","FOEIIYROBVUQFU-UHFFFAOYSA-N",null,52]
[1672,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50547478","CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccc(NC(=O)c3coc1n3)cc2)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C24H32N6O6/c1-13(2)19-22-27-18(12-36-22)21(32)26-15-8-6-14(7-9-15)11-17(20(31)30-19)29-24(35)28-16(23(33)34)5-3-4-10-25/h6-9,12-13,16-17,19H,3-5,10-11,25H2,1-2H3,(H,26,32)(H,30,31)(H,33,34)(H2,28,29,35)/t16-,17+,19-/m0/s1","YGCAFIQDVRSRNM-SCTDSRPQSA-N",null,52]
[1673,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173921","CC(C)[C@H]1COCCCCC2=CC(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)=CC2","InChI=1S/C26H37N5O5/c1-16(2)22-15-36-10-4-3-5-17-6-7-18(11-17)12-20(24(32)29-22)30-26(35)31-21(25(33)34)13-19-8-9-23(27)28-14-19/h7-9,11,14,16,20-22H,3-6,10,12-13,15H2,1-2H3,(H2,27,28)(H,29,32)(H,33,34)(H2,30,31,35)/t20-,21+,22-/m1/s1","BOLKYYSEIHZCKO-BHIFYINESA-N",null,52,{"$nulls":4},7.4,"25.00 C"]
[1674,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173932","CC(C)[C@H]1COCCCCOC[C@@H](NC(=O)N[C@H](CCCCN)C(O)=O)C(=O)N1","InChI=1S/C19H36N4O6/c1-13(2)15-11-28-9-5-6-10-29-12-16(17(24)21-15)23-19(27)22-14(18(25)26)7-3-4-8-20/h13-16H,3-12,20H2,1-2H3,(H,21,24)(H,25,26)(H2,22,23,27)/t14-,15-,16-/m1/s1","FQONWTZXYFYCBR-BZUAXINKSA-N",null,53,{"$nulls":4},7.4,"25.00 C"]
[1675,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326382","NCCCC1CC1(C(O)=O)c1cn(cn1)-c1cccc2ccccc12","InChI=1S/C20H21N3O2/c21-10-4-7-15-11-20(15,19(24)25)18-12-23(13-22-18)17-9-3-6-14-5-1-2-8-16(14)17/h1-3,5-6,8-9,12-13,15H,4,7,10-11,21H2,(H,24,25)","UDAZMQUJRCWMDT-UHFFFAOYSA-N",null,54]
[1676,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173924","CC(C)[C@H]1COCCCCOC[C@@H](NC(=O)N[C@H](Cc2ccc(N)nc2)C(O)=O)C(=O)N1","InChI=1S/C21H33N5O6/c1-13(2)16-11-31-7-3-4-8-32-12-17(19(27)24-16)26-21(30)25-15(20(28)29)9-14-5-6-18(22)23-10-14/h5-6,10,13,15-17H,3-4,7-9,11-12H2,1-2H3,(H2,22,23)(H,24,27)(H,28,29)(H2,25,26,30)/t15-,16-,17-/m1/s1","YUFHUHQAWMPSLE-BRWVUGGUSA-N",null,55,{"$nulls":4},7.4,"25.00 C"]
[1677,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089743","CC(C)C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC1CC2(C)CCC1C2(C)C","InChI=1S/C23H42N4O4/c1-14(2)12-17(27-21(31)26-16(20(29)30)8-6-7-11-24)19(28)25-18-13-23(5)10-9-15(18)22(23,3)4/h14-18H,6-13,24H2,1-5H3,(H,25,28)(H,29,30)(H2,26,27,31)/t15?,16-,17+,18?,23?/m0/s1","DPOMCPGADCDXDE-PPFFOOAHSA-N",null,57]
[1678,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326377","CC(C)(C)OC(=O)N(CCCC1CC1(C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc2ccccc2n1)C(=O)OC(C)(C)C","InChI=1S/C33H44N4O6/c1-30(2,3)41-27(38)33(25-20-36(21-34-25)26-17-16-22-13-10-11-15-24(22)35-26)19-23(33)14-12-18-37(28(39)42-31(4,5)6)29(40)43-32(7,8)9/h10-11,13,15-17,20-21,23H,12,14,18-19H2,1-9H3","YXBMHZSYHQXKBM-UHFFFAOYSA-N",null,58]
[1679,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326373","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1nccs1","InChI=1S/C24H34N4O6S/c1-22(2,3)33-20(30)28(21(31)34-23(4,5)6)11-8-9-16-13-24(16,18(29)32-7)17-14-27(15-26-17)19-25-10-12-35-19/h10,12,14-16H,8-9,11,13H2,1-7H3","GIGUTGHDSMNTJU-UHFFFAOYSA-N",null,58]
[1680,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173931","CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C24H40N4O7S/c1-17(2)22-16-34-13-5-6-14-35-19-10-8-18(9-11-19)15-21(23(29)26-22)28-36(32,33)27-20(24(30)31)7-3-4-12-25/h8-11,17,20-22,27-28H,3-7,12-16,25H2,1-2H3,(H,26,29)(H,30,31)/t20-,21+,22+/m0/s1","UHDSHGDMNRMYEP-BHDDXSALSA-N",null,59,{"$nulls":4},7.4,"25.00 C"]
[1681,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326352","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(F)c(F)c1","InChI=1S/C27H35F2N3O6/c1-25(2,3)37-23(34)32(24(35)38-26(4,5)6)12-8-9-17-14-27(17,22(33)36-7)21-15-31(16-30-21)18-10-11-19(28)20(29)13-18/h10-11,13,15-17H,8-9,12,14H2,1-7H3","UZMGUAFNSMLASL-UHFFFAOYSA-N",null,61]
[1682,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326380","CC(C)(C)OC(=O)NCCCC1CC1(C#N)c1cn(cn1)-c1ccc(Cl)cn1","InChI=1S/C20H24ClN5O2/c1-19(2,3)28-18(27)23-8-4-5-14-9-20(14,12-22)16-11-26(13-25-16)17-7-6-15(21)10-24-17/h6-7,10-11,13-14H,4-5,8-9H2,1-3H3,(H,23,27)","IUDMMFRBQQBMGJ-UHFFFAOYSA-N",null,63]
[1683,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008278","NCCC[C@]1(CCn2c(C1)ncc2-c1ccccc1)C(O)=O","InChI=1S/C17H21N3O2/c18-9-4-7-17(16(21)22)8-10-20-14(12-19-15(20)11-17)13-5-2-1-3-6-13/h1-3,5-6,12H,4,7-11,18H2,(H,21,22)/t17-/m1/s1","QUVXXNLGVUXFKY-QGZVFWFLSA-N",null,66]
[1684,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135933","Nc1ccc(CC(C(O)=O)c2cnc[nH]2)cn1","InChI=1S/C11H12N4O2/c12-10-2-1-7(4-14-10)3-8(11(16)17)9-5-13-6-15-9/h1-2,4-6,8H,3H2,(H2,12,14)(H,13,15)(H,16,17)","IFHWJTOFROTZBD-UHFFFAOYSA-N",null,67]
[1685,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197549","CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C25H46N4O5S/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26/h17-21,28-29H,4-16,26H2,1-3H3,(H,27,30)(H,31,32)/t18-,19+,20+,21-,25+/m1/s1","IQHARPQKKWCGEY-ZJTKBAOVSA-N",null,69]
[1686,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326354","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1cccc(Cl)c1","InChI=1S/C28H38ClN3O6/c1-8-36-23(33)28(22-17-31(18-30-22)21-13-9-12-20(29)15-21)16-19(28)11-10-14-32(24(34)37-26(2,3)4)25(35)38-27(5,6)7/h9,12-13,15,17-19H,8,10-11,14,16H2,1-7H3","KTLVMHNIYOLAOG-UHFFFAOYSA-N",null,70]
[1687,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197565","CC(=N)NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C)C(O)=O","InChI=1S/C27H49N5O5S/c1-18(28)29-15-9-8-12-21(25(34)35)31-38(36,37)32-22(16-19-10-6-5-7-11-19)24(33)30-23-17-20-13-14-27(23,4)26(20,2)3/h19-23,31-32H,5-17H2,1-4H3,(H2,28,29)(H,30,33)(H,34,35)/t20-,21+,22+,23+,27+/m1/s1","KDZLEJFZLYETPK-BXOWXZKISA-N",null,71]
[1688,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173897","NCCCC[C@H](NC(=O)N[C@@H]1Cc2ccc(OCCCCOC[C@@H](NC1=O)c1ccccc1)cc2)C(O)=O","InChI=1S/C28H38N4O6/c29-15-5-4-10-23(27(34)35)31-28(36)32-24-18-20-11-13-22(14-12-20)38-17-7-6-16-37-19-25(30-26(24)33)21-8-2-1-3-9-21/h1-3,8-9,11-14,23-25H,4-7,10,15-19,29H2,(H,30,33)(H,34,35)(H2,31,32,36)/t23-,24+,25+/m0/s1","WBXDQFAEOODUOF-ISJGIBHGSA-N",null,71,{"$nulls":4},7.4,"25.00 C"]
[1689,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326400","Cc1cccc(n1)-n1cnc(c1)C1(CC1CCCN)C(O)=O","InChI=1S/C16H20N4O2/c1-11-4-2-6-14(19-11)20-9-13(18-10-20)16(15(21)22)8-12(16)5-3-7-17/h2,4,6,9-10,12H,3,5,7-8,17H2,1H3,(H,21,22)","PQJZOQPXUZKPLX-UHFFFAOYSA-N",null,73]
[1690,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008271","CCCn1cnc2C[C@@](CCCN)(CCc12)C(O)=O","InChI=1S/C14H23N3O2/c1-2-8-17-10-16-11-9-14(13(18)19,5-3-7-15)6-4-12(11)17/h10H,2-9,15H2,1H3,(H,18,19)/t14-/m1/s1","DPDWQELEXVLQSO-CQSZACIVSA-N",null,76]
[1691,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135933","Nc1ccc(CC(C(O)=O)c2cnc[nH]2)cn1","InChI=1S/C11H12N4O2/c12-10-2-1-7(4-14-10)3-8(11(16)17)9-5-13-6-15-9/h1-2,4-6,8H,3H2,(H2,12,14)(H,13,15)(H,16,17)","IFHWJTOFROTZBD-UHFFFAOYSA-N",null,80]
[1692,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008273","NCCC[C@]1(CCc2c(C1)ncn2C1CCCCC1)C(O)=O","InChI=1S/C17H27N3O2/c18-10-4-8-17(16(21)22)9-7-15-14(11-17)19-12-20(15)13-5-2-1-3-6-13/h12-13H,1-11,18H2,(H,21,22)/t17-/m1/s1","HYXCCZTWQBSAJR-QGZVFWFLSA-N",null,80]
[1693,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197576","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C24H44N4O5S/c1-23(2)17-11-12-24(23,3)20(15-17)26-21(29)19(14-16-8-4-5-9-16)28-34(32,33)27-18(22(30)31)10-6-7-13-25/h16-20,27-28H,4-15,25H2,1-3H3,(H,26,29)(H,30,31)/t17-,18+,19+,20+,24+/m1/s1","XZBPLRVPQOOLLT-LJTNYMJHSA-N",null,81]
[1694,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575763","NCCCCC1(CN(Cc2ccccc2Br)CCP1(O)=O)C(O)=O","InChI=1S/C16H24BrN2O4P/c17-14-6-2-1-5-13(14)11-19-9-10-24(22,23)16(12-19,15(20)21)7-3-4-8-18/h1-2,5-6H,3-4,7-12,18H2,(H,20,21)(H,22,23)","UTNAZQAXWAOANT-UHFFFAOYSA-N",null,87]
[1695,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008269","C[C@@H](S)[C@@H](Cc1ccc(N)nc1)C(O)=O","InChI=1S/C10H14N2O2S/c1-6(15)8(10(13)14)4-7-2-3-9(11)12-5-7/h2-3,5-6,8,15H,4H2,1H3,(H2,11,12)(H,13,14)/t6-,8-/m1/s1","GYIYAOUGKJSCCG-HTRCEHHLSA-N",null,87]
[1696,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326338","CCCn1cnc(c1)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC","InChI=1S/C24H39N3O6/c1-9-12-26-15-18(25-16-26)24(19(28)31-8)14-17(24)11-10-13-27(20(29)32-22(2,3)4)21(30)33-23(5,6)7/h15-17H,9-14H2,1-8H3","XHKYYAOMHHKCJP-UHFFFAOYSA-N",null,97]
[1697,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326359","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1cccnc1","InChI=1S/C27H38N4O6/c1-8-35-22(32)27(21-17-30(18-29-21)20-12-9-13-28-16-20)15-19(27)11-10-14-31(23(33)36-25(2,3)4)24(34)37-26(5,6)7/h9,12-13,16-19H,8,10-11,14-15H2,1-7H3","ODVCYHBLCRTKDE-UHFFFAOYSA-N",null,98]
[1698,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326349","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(\\C=C\\c2ccccc2)cn1","InChI=1S/C29H39N3O6/c1-27(2,3)37-25(34)32(26(35)38-28(4,5)6)16-11-14-22-18-29(22,24(33)36-7)23-19-31(20-30-23)17-15-21-12-9-8-10-13-21/h8-10,12-13,15,17,19-20,22H,11,14,16,18H2,1-7H3/b17-15+","RFSLRCSKCVQREA-BMRADRMJSA-N",null,99]
[1699,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089757","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCONC(N)=N)C(O)=O","InChI=1S/C25H44N6O5/c1-24(2)16-9-11-25(24,3)14-19(16)28-20(32)18(13-15-7-5-4-6-8-15)30-23(35)29-17(21(33)34)10-12-36-31-22(26)27/h15-19H,4-14H2,1-3H3,(H,28,32)(H,33,34)(H4,26,27,31)(H2,29,30,35)/t16?,17-,18+,19?,25?/m0/s1","IHAGBLBQHAZSFU-STDKCPAXSA-N",null,100]
[1700,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326362","COC(=O)[C@@]1(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(CCC(C)(C)C)cn1","InChI=1S/C27H45N3O6/c1-24(2,3)13-15-29-17-20(28-18-29)27(21(31)34-10)16-19(27)12-11-14-30(22(32)35-25(4,5)6)23(33)36-26(7,8)9/h17-19H,11-16H2,1-10H3/t19-,27+/m0/s1","XFYXHUURPYELSU-UZTOHYMASA-N",null,">100.0"]
[1701,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326402","CCC[C@@H](CN)C[C@@H]1C[C@@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C18H24N4O2/c1-2-5-13(10-19)8-14-9-18(14,17(23)24)15-11-22(12-21-15)16-6-3-4-7-20-16/h3-4,6-7,11-14H,2,5,8-10,19H2,1H3,(H,23,24)/t13-,14-,18+/m1/s1","VWJRFIBJYVHSGS-LBTNJELSSA-N",null,">100.0"]
[1702,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575741","NCCCC[C@]1(CN(Cc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C16H25N2O4P/c17-9-5-4-8-16(15(19)20)13-18(10-11-23(16,21)22)12-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13,17H2,(H,19,20)(H,21,22)/t16-/m0/s1","ZNSVXALGZJWZDW-INIZCTEOSA-N",null,100]
[1703,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109251","C[C@H]1CC[C@@H](CC1)n1cnc(C[C@@H](CCCN)C(O)=O)c1","InChI=1S/C16H27N3O2/c1-12-4-6-15(7-5-12)19-10-14(18-11-19)9-13(16(20)21)3-2-8-17/h10-13,15H,2-9,17H2,1H3,(H,20,21)/t12-,13-,15-/m1/s1","AEHFUSPLVGWEEP-UMVBOHGHSA-N",null,">1.0e+2"]
[1704,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109259","C[C@@H](CN)C[C@H](Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O","InChI=1S/C17H29N3O2/c1-12-3-5-16(6-4-12)20-10-15(19-11-20)8-14(17(21)22)7-13(2)9-18/h10-14,16H,3-9,18H2,1-2H3,(H,21,22)/t12-,13-,14-,16-/m1/s1","OMGSNJPCQBNRPB-IXYNUQLISA-N",null,">1.0e+2"]
[1705,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008272","CC(C)CCn1cnc2C[C@@](CCCN)(CCc12)C(O)=O","InChI=1S/C16H27N3O2.ClH/c1-12(2)5-9-19-11-18-13-10-16(15(20)21,6-3-8-17)7-4-14(13)19;/h11-12H,3-10,17H2,1-2H3,(H,20,21);1H/t16-;/m1./s1","ZKDOGGVTIBLFAB-PKLMIRHRSA-N",null,100]
[1706,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326372","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1cccs1","InChI=1S/C25H35N3O6S/c1-23(2,3)33-21(30)28(22(31)34-24(4,5)6)12-8-10-17-14-25(17,20(29)32-7)18-15-27(16-26-18)19-11-9-13-35-19/h9,11,13,15-17H,8,10,12,14H2,1-7H3","YUTZPEWUFUNCCP-UHFFFAOYSA-N",null,100]
[1707,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144316","Cc1cc(CC(C(O)=O)c2cnc[nH]2)cnc1N","InChI=1S/C12H14N4O2/c1-7-2-8(4-15-11(7)13)3-9(12(17)18)10-5-14-6-16-10/h2,4-6,9H,3H2,1H3,(H2,13,15)(H,14,16)(H,17,18)","XKXDTPUXXDHNME-UHFFFAOYSA-N",null,100]
[1708,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144325","CCn1cnc(c1)C(C[C@H]1CC[C@H](N)C1)C(O)=O","InChI=1S/C13H21N3O2/c1-2-16-7-12(15-8-16)11(13(17)18)6-9-3-4-10(14)5-9/h7-11H,2-6,14H2,1H3,(H,17,18)/t9-,10-,11?/m0/s1","VMERNPBLGUMYOA-QRHSGQBVSA-N",null,100]
[1709,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575757","NCCCCC1(CN(Cc2ccc(O)cc2)CCP1(O)=O)C(O)=O","InChI=1S/C16H25N2O5P/c17-8-2-1-7-16(15(20)21)12-18(9-10-24(16,22)23)11-13-3-5-14(19)6-4-13/h3-6,19H,1-2,7-12,17H2,(H,20,21)(H,22,23)","RPSUUUMUOBONAG-UHFFFAOYSA-N",null,101]
[1710,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173898","NCCCC[C@H](NC(=O)N[C@@H]1Cc2ccc(OCCCCOC[C@H](Cc3ccccc3)NC1=O)cc2)C(O)=O","InChI=1S/C29H40N4O6/c30-15-5-4-10-25(28(35)36)32-29(37)33-26-19-22-11-13-24(14-12-22)39-17-7-6-16-38-20-23(31-27(26)34)18-21-8-2-1-3-9-21/h1-3,8-9,11-14,23,25-26H,4-7,10,15-20,30H2,(H,31,34)(H,35,36)(H2,32,33,37)/t23-,25-,26+/m0/s1","ULIRNVGVKBVODJ-AYRHNUGRSA-N",null,105,{"$nulls":4},7.4,"25.00 C"]
[1711,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008274","NCCC[C@]1(CCc2c(C1)ncn2Cc1cccc(c1)-c1ccccc1)C(O)=O","InChI=1S/C24H27N3O2/c25-13-5-11-24(23(28)29)12-10-22-21(15-24)26-17-27(22)16-18-6-4-9-20(14-18)19-7-2-1-3-8-19/h1-4,6-9,14,17H,5,10-13,15-16,25H2,(H,28,29)/t24-/m1/s1","XFDUWSDSIRIRFB-XMMPIXPASA-N",null,106]
[1712,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089740","C[C@H](NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O)c1ccc(Cl)cc1","InChI=1S/C24H37ClN4O4/c1-16(18-10-12-19(25)13-11-18)27-22(30)21(15-17-7-3-2-4-8-17)29-24(33)28-20(23(31)32)9-5-6-14-26/h10-13,16-17,20-21H,2-9,14-15,26H2,1H3,(H,27,30)(H,31,32)(H2,28,29,33)/t16-,20-,21+/m0/s1","XPYKQDYZHBTVDV-ORYQWCPZSA-N",null,110]
[1713,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089753","N[C@H]1C[C@H](CC(NC(=O)N[C@H](CC2CCCCC2)C(=O)NC2CC3CCC2C3)C(O)=O)C1","InChI=1S/C24H40N4O4/c25-18-9-16(10-18)13-21(23(30)31)28-24(32)27-20(11-14-4-2-1-3-5-14)22(29)26-19-12-15-6-7-17(19)8-15/h14-21H,1-13,25H2,(H,26,29)(H,30,31)(H2,27,28,32)/t15?,16-,17?,18-,19?,20-,21?/m1/s1","NLBFGJCTTDZYBN-NCZDBTGRSA-N",null,110]
[1714,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008273","NCCC[C@]1(CCc2c(C1)ncn2C1CCCCC1)C(O)=O","InChI=1S/C17H27N3O2/c18-10-4-8-17(16(21)22)9-7-15-14(11-17)19-12-20(15)13-5-2-1-3-6-13/h12-13H,1-11,18H2,(H,21,22)/t17-/m1/s1","HYXCCZTWQBSAJR-QGZVFWFLSA-N",null,117]
[1715,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089737","NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NCC(c1ccccc1)c1ccccc1)C(O)=O","InChI=1S/C30H42N4O4/c31-19-11-10-18-26(29(36)37)33-30(38)34-27(20-22-12-4-1-5-13-22)28(35)32-21-25(23-14-6-2-7-15-23)24-16-8-3-9-17-24/h2-3,6-9,14-17,22,25-27H,1,4-5,10-13,18-21,31H2,(H,32,35)(H,36,37)(H2,33,34,38)/t26-,27+/m0/s1","MAADCGOFVALXMT-RRPNLBNLSA-N",null,120]
[1716,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197526","Cl.CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C25H46N4O5S.ClH/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26;/h17-21,28-29H,4-16,26H2,1-3H3,(H,27,30)(H,31,32);1H/t18-,19+,20+,21+,25+;/m1./s1","SXAUCWSUBICAAS-LZZNFXAASA-N",null,123]
[1717,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008275","NCCCC1(CCc2c(C1)ncn2CCC1CCC(CC1)C1CCCCC1)C(O)=O","InChI=1S/C25H41N3O2/c26-15-4-13-25(24(29)30)14-11-23-22(17-25)27-18-28(23)16-12-19-7-9-21(10-8-19)20-5-2-1-3-6-20/h18-21H,1-17,26H2,(H,29,30)","KUVAYHVUNQWSPM-UHFFFAOYSA-N",null,124]
[1718,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575761","NCCCCC1(CN(Cc2ccc(F)cc2)CCP1(O)=O)C(O)=O","InChI=1S/C16H24FN2O4P/c17-14-5-3-13(4-6-14)11-19-9-10-24(22,23)16(12-19,15(20)21)7-1-2-8-18/h3-6H,1-2,7-12,18H2,(H,20,21)(H,22,23)","BPGDVCHLKUNYCG-UHFFFAOYSA-N",null,127]
[1719,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201437","OC(=O)C(CS)CC1CCCNC1","InChI=1S/C9H17NO2S/c11-9(12)8(6-13)4-7-2-1-3-10-5-7/h7-8,10,13H,1-6H2,(H,11,12)","XILWRBHKVRYWMD-UHFFFAOYSA-N",null,129]
[1720,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089700","C[C@H](NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O)C1CCCCC1","InChI=1S/C24H44N4O4/c1-17(19-12-6-3-7-13-19)26-22(29)21(16-18-10-4-2-5-11-18)28-24(32)27-20(23(30)31)14-8-9-15-25/h17-21H,2-16,25H2,1H3,(H,26,29)(H,30,31)(H2,27,28,32)/t17-,20-,21+/m0/s1","AFPITHMSIWIQKS-DZFGPLHGSA-N",null,130]
[1721,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197578","C[C@H]1[C@@H]2C[C@H](C[C@@H]1NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C2(C)C","InChI=1S/C25H46N4O5S/c1-16-19-14-18(25(19,2)3)15-21(16)27-23(30)22(13-17-9-5-4-6-10-17)29-35(33,34)28-20(24(31)32)11-7-8-12-26/h16-22,28-29H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)/t16-,18+,19-,20-,21-,22-/m0/s1","CVNHXUCHQVVMEP-QOLIXYQJSA-N",null,130]
[1722,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201435","OC(=O)C(CS)CC1CCNCC1","InChI=1S/C9H17NO2S/c11-9(12)8(6-13)5-7-1-3-10-4-2-7/h7-8,10,13H,1-6H2,(H,11,12)","ZYVSJXROQJSTDA-UHFFFAOYSA-N",null,139]
[1723,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326355","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccccc1Cl","InChI=1S/C28H38ClN3O6/c1-8-36-23(33)28(22-17-31(18-30-22)21-14-10-9-13-20(21)29)16-19(28)12-11-15-32(24(34)37-26(2,3)4)25(35)38-27(5,6)7/h9-10,13-14,17-19H,8,11-12,15-16H2,1-7H3","DJUGKLDQGDPBHX-UHFFFAOYSA-N",null,140]
[1724,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326348","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(cc1)C(F)(F)F","InChI=1S/C28H36F3N3O6/c1-25(2,3)39-23(36)34(24(37)40-26(4,5)6)14-8-9-19-15-27(19,22(35)38-7)21-16-33(17-32-21)20-12-10-18(11-13-20)28(29,30)31/h10-13,16-17,19H,8-9,14-15H2,1-7H3","LNIIFDBADSSEJA-UHFFFAOYSA-N",null,140]
[1725,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575760","NCCCCC1(CN(Cc2ccccc2Cl)CCP1(O)=O)C(O)=O","InChI=1S/C16H24ClN2O4P/c17-14-6-2-1-5-13(14)11-19-9-10-24(22,23)16(12-19,15(20)21)7-3-4-8-18/h1-2,5-6H,3-4,7-12,18H2,(H,20,21)(H,22,23)","MDZLUBDITWWUHN-UHFFFAOYSA-N",null,161]
[1726,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201429","NC(=N)N1CCCC(C1)C(CS)C(O)=O","InChI=1S/C9H17N3O2S/c10-9(11)12-3-1-2-6(4-12)7(5-15)8(13)14/h6-7,15H,1-5H2,(H3,10,11)(H,13,14)","HNBJSRXHGCYXNR-UHFFFAOYSA-N",null,165]
[1727,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197556","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C25H40N4O5S/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26/h4-6,9-10,18-21,28-29H,7-8,11-16,26H2,1-3H3,(H,27,30)(H,31,32)/t18-,19+,20+,21+,25+/m1/s1","CQFRJAFNJDXKLZ-PHGOAHNDSA-N",null,170]
[1728,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197557","NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CC2CC1C1CCCC21)C(O)=O","InChI=1S/C25H44N4O5S/c26-12-5-4-11-21(25(31)32)28-35(33,34)29-23(13-16-7-2-1-3-8-16)24(30)27-22-15-17-14-20(22)19-10-6-9-18(17)19/h16-23,28-29H,1-15,26H2,(H,27,30)(H,31,32)/t17?,18?,19?,20?,21-,22?,23-/m0/s1","SLROOTQKYKGVCV-SWISWOKGSA-N",null,170]
[1729,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089694","NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NC1CCCCC1)C(O)=O","InChI=1S/C22H40N4O4/c23-14-8-7-13-18(21(28)29)25-22(30)26-19(15-16-9-3-1-4-10-16)20(27)24-17-11-5-2-6-12-17/h16-19H,1-15,23H2,(H,24,27)(H,28,29)(H2,25,26,30)/t18-,19+/m0/s1","CMEXWCUZEGJTGX-RBUKOAKNSA-N",null,170]
[1730,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326358","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccncc1","InChI=1S/C27H38N4O6/c1-8-35-22(32)27(21-17-30(18-29-21)20-11-13-28-14-12-20)16-19(27)10-9-15-31(23(33)36-25(2,3)4)24(34)37-26(5,6)7/h11-14,17-19H,8-10,15-16H2,1-7H3","SCXGYZUIGNKQEJ-UHFFFAOYSA-N",null,170]
[1731,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575758","NCCCCC1(CN(Cc2ccc(Cl)cc2)CCP1(O)=O)C(O)=O","InChI=1S/C16H24ClN2O4P/c17-14-5-3-13(4-6-14)11-19-9-10-24(22,23)16(12-19,15(20)21)7-1-2-8-18/h3-6H,1-2,7-12,18H2,(H,20,21)(H,22,23)","VPMVFZPVAJMUAF-UHFFFAOYSA-N",null,183]
[1732,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089695","CCC(C)C(C)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C22H42N4O4/c1-4-15(2)16(3)24-20(27)19(14-17-10-6-5-7-11-17)26-22(30)25-18(21(28)29)12-8-9-13-23/h15-19H,4-14,23H2,1-3H3,(H,24,27)(H,28,29)(H2,25,26,30)/t15?,16?,18-,19+/m0/s1","QESTYHACMRZORU-YVZJPGBNSA-N",null,190]
[1733,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575755","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccsc2)CCP1(O)=O)C(O)=O","InChI=1S/C14H23N2O4PS.C2HF3O2/c15-5-2-1-4-14(13(17)18)11-16(6-7-21(14,19)20)9-12-3-8-22-10-12;3-2(4,5)1(6)7/h3,8,10H,1-2,4-7,9,11,15H2,(H,17,18)(H,19,20);(H,6,7)","NUTGTRXBOUVQLS-UHFFFAOYSA-N",null,200]
[1734,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197543","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1cccnc1)C(O)=O","InChI=1S/C27H42N4O5S/c1-26(2)20-11-12-27(26,3)23(16-20)29-24(32)21(14-18-8-5-4-6-9-18)30-37(35,36)31-22(25(33)34)15-19-10-7-13-28-17-19/h7,10,13,17-18,20-23,30-31H,4-6,8-9,11-12,14-16H2,1-3H3,(H,29,32)(H,33,34)/t20-,21+,22+,23+,27+/m1/s1","XYTYVEVWWTZSIW-BXOWXZKISA-N",null,200]
[1735,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575740","OC(=O)C(F)(F)F.NCCCCCC1(CN(Cc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C17H27N2O4P.C2HF3O2/c18-10-6-2-5-9-17(16(20)21)14-19(11-12-24(17,22)23)13-15-7-3-1-4-8-15;3-2(4,5)1(6)7/h1,3-4,7-8H,2,5-6,9-14,18H2,(H,20,21)(H,22,23);(H,6,7)","JBPSAJWTCSGNMX-UHFFFAOYSA-N",null,200]
[1736,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575739","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C16H25N2O4P.C2HF3O2/c17-9-5-4-8-16(15(19)20)13-18(10-11-23(16,21)22)12-14-6-2-1-3-7-14;3-2(4,5)1(6)7/h1-3,6-7H,4-5,8-13,17H2,(H,19,20)(H,21,22);(H,6,7)","UXRVDUNGIGAHRC-UHFFFAOYSA-N",null,200]
[1737,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197536","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CCC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C26H48N4O5S/c1-25(2)19-14-15-26(25,3)22(17-19)28-23(31)20(13-12-18-9-5-4-6-10-18)29-36(34,35)30-21(24(32)33)11-7-8-16-27/h18-22,29-30H,4-17,27H2,1-3H3,(H,28,31)(H,32,33)/t19-,20+,21+,22+,26+/m1/s1","XLOARNQKSYTPBM-RZFRIWOHSA-N",null,220]
[1738,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197555","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C22H40N4O5S/c1-21(2)15-9-10-22(21,3)18(13-15)24-19(27)17(12-14-7-8-14)26-32(30,31)25-16(20(28)29)6-4-5-11-23/h14-18,25-26H,4-13,23H2,1-3H3,(H,24,27)(H,28,29)/t15-,16+,17+,18+,22+/m1/s1","NMXBBBBKSIKPCR-JVOBEXOSSA-N",null,230]
[1739,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089778","CC12CCC(C(C1)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@H](Cc1ccc(N)nc1)C(O)=O)C2(C)C","InChI=1S/C28H43N5O4/c1-27(2)19-11-12-28(27,3)15-22(19)31-24(34)20(13-17-7-5-4-6-8-17)32-26(37)33-21(25(35)36)14-18-9-10-23(29)30-16-18/h9-10,16-17,19-22H,4-8,11-15H2,1-3H3,(H2,29,30)(H,31,34)(H,35,36)(H2,32,33,37)/t19?,20-,21-,22?,28?/m1/s1","IHZPIKIYQNIWSX-BYSUOTFYSA-N",null,250]
[1740,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173894","CC1(C)COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C24H38N4O6/c1-24(2)16-33-13-5-6-14-34-18-10-8-17(9-11-18)15-20(21(29)28-24)27-23(32)26-19(22(30)31)7-3-4-12-25/h8-11,19-20H,3-7,12-16,25H2,1-2H3,(H,28,29)(H,30,31)(H2,26,27,32)/t19-,20+/m0/s1","FBMIZNMJBGCCDP-VQTJNVASSA-N",null,269,{"$nulls":4},7.4,"25.00 C"]
[1741,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144322","CC(CN)CCC(C(O)=O)c1cnc[nH]1","InChI=1S/C10H17N3O2/c1-7(4-11)2-3-8(10(14)15)9-5-12-6-13-9/h5-8H,2-4,11H2,1H3,(H,12,13)(H,14,15)","GNCKWAGRDBWVQA-UHFFFAOYSA-N",null,270]
[1742,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326387","CC(C)(CN)CC1CC1(C(O)=O)c1cn(cn1)-c1ccccc1","InChI=1S/C18H23N3O2/c1-17(2,11-19)8-13-9-18(13,16(22)23)15-10-21(12-20-15)14-6-4-3-5-7-14/h3-7,10,12-13H,8-9,11,19H2,1-2H3,(H,22,23)","WWNSWPHSWQCJIZ-UHFFFAOYSA-N",null,">300"]
[1743,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326344","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccccc1C","InChI=1S/C28H39N3O6/c1-19-12-9-10-14-21(19)30-17-22(29-18-30)28(23(32)35-8)16-20(28)13-11-15-31(24(33)36-26(2,3)4)25(34)37-27(5,6)7/h9-10,12,14,17-18,20H,11,13,15-16H2,1-8H3","YRWIXHBNWHSNHU-UHFFFAOYSA-N",null,">300"]
[1744,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197533","NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)C(O)=O","InChI=1S/C22H40N4O5S/c23-11-5-4-8-18(22(28)29)25-32(30,31)26-20(13-15-6-2-1-3-7-15)21(27)24-19-14-16-9-10-17(19)12-16/h15-20,25-26H,1-14,23H2,(H,24,27)(H,28,29)/t16-,17-,18-,19+,20-/m0/s1","PZCYVEWXVUJWOV-FSGKZVOOSA-N",null,330]
[1745,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326370","CCOC(=O)C1(CC1CCCNC(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(Br)cn1","InChI=1S/C22H29BrN4O4/c1-5-30-19(28)22(11-15(22)7-6-10-24-20(29)31-21(2,3)4)17-13-27(14-26-17)18-9-8-16(23)12-25-18/h8-9,12-15H,5-7,10-11H2,1-4H3,(H,24,29)","COHIAVKBVGMITP-UHFFFAOYSA-N",null,340]
[1746,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197575","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C23H42N4O5S/c1-22(2)16-10-11-23(22,3)19(14-16)25-20(28)18(13-15-7-6-8-15)27-33(31,32)26-17(21(29)30)9-4-5-12-24/h15-19,26-27H,4-14,24H2,1-3H3,(H,25,28)(H,29,30)/t16-,17+,18+,19+,23+/m1/s1","XCBZCAGPFKZFDD-KYGACCNGSA-N",null,360]
[1747,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326396","CC[C@@H](CN)C[C@@H]1C[C@@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C17H22N4O2/c1-2-12(9-18)7-13-8-17(13,16(22)23)14-10-21(11-20-14)15-5-3-4-6-19-15/h3-6,10-13H,2,7-9,18H2,1H3,(H,22,23)/t12-,13-,17+/m1/s1","BEUXTDNZDSFKGE-XNJGSVPQSA-N",null,360]
[1748,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144320","CC(C)(CN)CCC(C(O)=O)c1cnc[nH]1","InChI=1S/C11H19N3O2/c1-11(2,6-12)4-3-8(10(15)16)9-5-13-7-14-9/h5,7-8H,3-4,6,12H2,1-2H3,(H,13,14)(H,15,16)","HNCZMIXMYAMRQL-UHFFFAOYSA-N",null,380]
[1749,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089699","CC(C)[C@@H](C)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C21H40N4O4/c1-14(2)15(3)23-19(26)18(13-16-9-5-4-6-10-16)25-21(29)24-17(20(27)28)11-7-8-12-22/h14-18H,4-13,22H2,1-3H3,(H,23,26)(H,27,28)(H2,24,25,29)/t15-,17+,18-/m1/s1","PGKTWPKLTNYPMW-BPQIPLTHSA-N",null,390]
[1750,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089689","CC[C@@H](C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O","InChI=1S/C45H59N7O10/c1-5-27(2)38-42(58)47-35(23-18-29-14-19-32(53)20-15-29)43(59)52(4)28(3)39(55)48-36(25-30-11-7-6-8-12-30)40(56)46-24-10-9-13-34(41(57)51-38)49-45(62)50-37(44(60)61)26-31-16-21-33(54)22-17-31/h6-8,11-12,14-17,19-22,27-28,34-38,53-54H,5,9-10,13,18,23-26H2,1-4H3,(H,46,56)(H,47,58)(H,48,55)(H,51,57)(H,60,61)(H2,49,50,62)/t27-,28+,34-,35+,36+,37+,38+/m1/s1","KCAKUFQSCADGHZ-JNFDXLRCSA-N",null,400]
[1751,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197559","CC(C)C12CC3CC(CC(C3)(C1)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C2","InChI=1S/C28H50N4O5S/c1-19(2)27-14-21-12-22(15-27)17-28(16-21,18-27)30-25(33)24(13-20-8-4-3-5-9-20)32-38(36,37)31-23(26(34)35)10-6-7-11-29/h19-24,31-32H,3-18,29H2,1-2H3,(H,30,33)(H,34,35)/t21?,22?,23-,24-,27?,28?/m0/s1","ZVCJHTCCYIGTGU-IBLNZPRFSA-N",null,400]
[1752,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008269","C[C@@H](S)[C@@H](Cc1ccc(N)nc1)C(O)=O","InChI=1S/C10H14N2O2S/c1-6(15)8(10(13)14)4-7-2-3-9(11)12-5-7/h2-3,5-6,8,15H,4H2,1H3,(H2,11,12)(H,13,14)/t6-,8-/m1/s1","GYIYAOUGKJSCCG-HTRCEHHLSA-N",null,400]
[1753,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197570","NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2)C(O)=O","InChI=1S/C22H40N4O5S/c23-11-5-4-8-18(22(28)29)25-32(30,31)26-20(13-15-6-2-1-3-7-15)21(27)24-19-14-16-9-10-17(19)12-16/h15-20,25-26H,1-14,23H2,(H,24,27)(H,28,29)/t16-,17-,18-,19-,20-/m0/s1","PZCYVEWXVUJWOV-HVTWWXFQSA-N",null,420]
[1754,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326337","CC(C)(C)CCn1cnc(c1)[C@]1(C[C@H]1CCCN)C(O)=O","InChI=1S/C16H27N3O2/c1-15(2,3)6-8-19-10-13(18-11-19)16(14(20)21)9-12(16)5-4-7-17/h10-12H,4-9,17H2,1-3H3,(H,20,21)/t12-,16-/m1/s1","OATNNVUVQQXLHN-MLGOLLRUSA-N",null,420]
[1755,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201434","OC(=O)C(CS)C1CCCNC1","InChI=1S/C8H15NO2S/c10-8(11)7(5-12)6-2-1-3-9-4-6/h6-7,9,12H,1-5H2,(H,10,11)","ZEKJYPSRDZCIDP-UHFFFAOYSA-N",null,445]
[1756,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226610","CCCn1cnc(C[C@H](CCCN)C(O)=O)c1","InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s1","OTDGPKRCQXSTPV-JTQLQIEISA-N",null,450]
[1757,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089744","CC(C)[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC1CC2(C)CCC1C2(C)C","InChI=1S/C22H40N4O4/c1-13(2)17(26-20(30)25-15(19(28)29)8-6-7-11-23)18(27)24-16-12-22(5)10-9-14(16)21(22,3)4/h13-17H,6-12,23H2,1-5H3,(H,24,27)(H,28,29)(H2,25,26,30)/t14?,15-,16?,17+,22?/m0/s1","VRXVYEBSAQCPLH-CTUUPLLYSA-N",null,460]
[1758,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197540","NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O","InChI=1S/C25H44N4O5S/c26-9-5-4-8-21(24(31)32)28-35(33,34)29-22(13-17-6-2-1-3-7-17)23(30)27-25-14-18-10-19(15-25)12-20(11-18)16-25/h17-22,28-29H,1-16,26H2,(H,27,30)(H,31,32)/t18?,19?,20?,21-,22-,25?/m0/s1","ABGAZACYUFFMDV-LYSMGBOCSA-N",null,490]
[1759,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326392","C[C@H](CN)C[C@@H]1C[C@@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C16H20N4O2/c1-11(8-17)6-12-7-16(12,15(21)22)13-9-20(10-19-13)14-4-2-3-5-18-14/h2-5,9-12H,6-8,17H2,1H3,(H,21,22)/t11-,12+,16-/m0/s1","FKDQZBMTXAMQNM-OZVIIMIRSA-N",null,490]
[1760,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575743","NCCCCC1(CC(Cc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C17H26NO4P/c18-10-5-4-9-17(16(19)20)13-15(8-11-23(17,21)22)12-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13,18H2,(H,19,20)(H,21,22)","OWYIPXCIDKTXAY-UHFFFAOYSA-N",null,500]
[1761,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575752","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccccn2)CCP1(O)=O)C(O)=O","InChI=1S/C15H24N3O4P.C2HF3O2/c16-7-3-2-6-15(14(19)20)12-18(9-10-23(15,21)22)11-13-5-1-4-8-17-13;3-2(4,5)1(6)7/h1,4-5,8H,2-3,6-7,9-12,16H2,(H,19,20)(H,21,22);(H,6,7)","RLTFNRHVYOETOJ-UHFFFAOYSA-N",null,500]
[1762,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326394","C[C@@H](CN)C[C@@H]1C[C@@]1(C(O)=O)c1cn(cn1)-c1ccc(C)cn1","InChI=1S/C17H22N4O2/c1-11-3-4-15(19-8-11)21-9-14(20-10-21)17(16(22)23)6-13(17)5-12(2)7-18/h3-4,8-10,12-13H,5-7,18H2,1-2H3,(H,22,23)/t12-,13-,17+/m1/s1","AAEAYCWJPQORII-XNJGSVPQSA-N",null,500]
[1763,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575762","NCCCCC1(CN(Cc2ccccc2F)CCP1(O)=O)C(O)=O","InChI=1S/C16H24FN2O4P/c17-14-6-2-1-5-13(14)11-19-9-10-24(22,23)16(12-19,15(20)21)7-3-4-8-18/h1-2,5-6H,3-4,7-12,18H2,(H,20,21)(H,22,23)","JYJPJVPEHYANHW-UHFFFAOYSA-N",null,515]
[1764,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089781","CC12CCC(C(C1)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](Cc1ccc(N)nc1)C(N)=O)C2(C)C","InChI=1S/C28H44N6O3/c1-27(2)19-11-12-28(27,3)15-22(19)32-25(36)21(13-17-7-5-4-6-8-17)34-26(37)33-20(24(30)35)14-18-9-10-23(29)31-16-18/h9-10,16-17,19-22H,4-8,11-15H2,1-3H3,(H2,29,31)(H2,30,35)(H,32,36)(H2,33,34,37)/t19?,20-,21+,22?,28?/m0/s1","ZFFKLIGSDMVSKR-ZSKJDULESA-N",null,570]
[1765,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008276","NCCCC1(CCc2c(C1)ncn2-c1ccccc1)C(O)=O","InChI=1S/C17H21N3O2/c18-10-4-8-17(16(21)22)9-7-15-14(11-17)19-12-20(15)13-5-2-1-3-6-13/h1-3,5-6,12H,4,7-11,18H2,(H,21,22)","GBGNYJCWTUIJPT-UHFFFAOYSA-N",null,585]
[1766,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144334","NCCCCC(C(O)=O)c1cnc[nH]1","InChI=1S/C9H15N3O2/c10-4-2-1-3-7(9(13)14)8-5-11-6-12-8/h5-7H,1-4,10H2,(H,11,12)(H,13,14)","ATNHCKIPIWIEGH-UHFFFAOYSA-N",null,590]
[1767,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008270","CCCn1cnc(CC(NCCN)C(O)=O)c1","InChI=1S/C11H20N4O2/c1-2-5-15-7-9(14-8-15)6-10(11(16)17)13-4-3-12/h7-8,10,13H,2-6,12H2,1H3,(H,16,17)","UVTMXVBQOPVNHA-UHFFFAOYSA-N",null,620]
[1768,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173911","CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CS(=O)(=O)CCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C24H38N4O8S/c1-16(2)20-14-35-10-3-4-11-36-18-7-5-17(6-8-18)13-19(22(29)26-20)27-24(32)28-21(23(30)31)15-37(33,34)12-9-25/h5-8,16,19-21H,3-4,9-15,25H2,1-2H3,(H,26,29)(H,30,31)(H2,27,28,32)/t19-,20-,21+/m1/s1","OIDOVTVIWNAVJY-NJYVYQBISA-N",null,649,{"$nulls":4},7.4,"25.00 C"]
[1769,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197550","NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CCC2CCCCC2C1)C(O)=O","InChI=1S/C25H46N4O5S/c26-15-7-6-12-22(25(31)32)28-35(33,34)29-23(16-18-8-2-1-3-9-18)24(30)27-21-14-13-19-10-4-5-11-20(19)17-21/h18-23,28-29H,1-17,26H2,(H,27,30)(H,31,32)/t19?,20?,21?,22-,23-/m0/s1","ACZMKSFVIZOHQL-WBLOSPSNSA-N",null,670]
[1770,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089697","CC(C)(C)CNC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C21H40N4O4/c1-21(2,3)14-23-18(26)17(13-15-9-5-4-6-10-15)25-20(29)24-16(19(27)28)11-7-8-12-22/h15-17H,4-14,22H2,1-3H3,(H,23,26)(H,27,28)(H2,24,25,29)/t16-,17+/m0/s1","XWDGSLJVTQYSEC-DLBZAZTESA-N",null,690]
[1771,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575759","NCCCCC1(CN(Cc2cccc(Cl)c2)CCP1(O)=O)C(O)=O","InChI=1S/C16H24ClN2O4P/c17-14-5-3-4-13(10-14)11-19-8-9-24(22,23)16(12-19,15(20)21)6-1-2-7-18/h3-5,10H,1-2,6-9,11-12,18H2,(H,20,21)(H,22,23)","CYMKCJYHJMQMBX-UHFFFAOYSA-N",null,750]
[1772,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089780","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(N)=O","InChI=1S/C26H47N5O3/c1-25(2)18-12-13-26(25,3)16-21(18)29-23(33)20(15-17-9-5-4-6-10-17)31-24(34)30-19(22(28)32)11-7-8-14-27/h17-21H,4-16,27H2,1-3H3,(H2,28,32)(H,29,33)(H2,30,31,34)/t18?,19-,20+,21?,26?/m0/s1","ASRHEUPBKKUJIH-HPIYHLJDSA-N",null,750]
[1773,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201431","Nc1cccc(c1)C(CS)C(O)=O","InChI=1S/C9H11NO2S/c10-7-3-1-2-6(4-7)8(5-13)9(11)12/h1-4,8,13H,5,10H2,(H,11,12)","WOYCAJIRNXWVLG-UHFFFAOYSA-N",null,785]
[1774,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173899","NCCCC[C@H](NC(=O)N[C@@H]1Cc2ccc(OCCCCOC[C@@H](NC1=O)C1CCCCC1)cc2)C(O)=O","InChI=1S/C28H44N4O6/c29-15-5-4-10-23(27(34)35)31-28(36)32-24-18-20-11-13-22(14-12-20)38-17-7-6-16-37-19-25(30-26(24)33)21-8-2-1-3-9-21/h11-14,21,23-25H,1-10,15-19,29H2,(H,30,33)(H,34,35)(H2,31,32,36)/t23-,24+,25+/m0/s1","GGWRPAFPNBTEKN-ISJGIBHGSA-N",null,811,{"$nulls":4},7.4,"25.00 C"]
[1775,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089696","CC(C)CNC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C20H38N4O4/c1-14(2)13-22-18(25)17(12-15-8-4-3-5-9-15)24-20(28)23-16(19(26)27)10-6-7-11-21/h14-17H,3-13,21H2,1-2H3,(H,22,25)(H,26,27)(H2,23,24,28)/t16-,17+/m0/s1","RUWUSBDCRNJOMS-DLBZAZTESA-N",null,850]
[1776,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197572","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CC1CCNCC1)C(O)=O","InChI=1S/C27H48N4O5S/c1-26(2)20-9-12-27(26,3)23(17-20)29-24(32)21(15-18-7-5-4-6-8-18)30-37(35,36)31-22(25(33)34)16-19-10-13-28-14-11-19/h18-23,28,30-31H,4-17H2,1-3H3,(H,29,32)(H,33,34)/t20-,21+,22+,23+,27+/m1/s1","LTLYKPLPFHCOED-BXOWXZKISA-N",null,880]
[1777,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089738","COc1ccc(CNC(=O)[C@@H](CC2CCCCC2)NC(=O)N[C@@H](CCCCN)C(O)=O)cc1","InChI=1S/C24H38N4O5/c1-33-19-12-10-18(11-13-19)16-26-22(29)21(15-17-7-3-2-4-8-17)28-24(32)27-20(23(30)31)9-5-6-14-25/h10-13,17,20-21H,2-9,14-16,25H2,1H3,(H,26,29)(H,30,31)(H2,27,28,32)/t20-,21+/m0/s1","VEDZNKIGSSHCLR-LEWJYISDSA-N",null,900]
[1778,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201430","NC(=N)c1ccc(cc1)C(CS)C(O)=O","InChI=1S/C10H12N2O2S/c11-9(12)7-3-1-6(2-4-7)8(5-15)10(13)14/h1-4,8,15H,5H2,(H3,11,12)(H,13,14)","RIFDSZLUNQNXHW-UHFFFAOYSA-N",null,905]
[1779,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326369","COC(=O)C1(CC1CC(C)CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(cc1)S(C)(=O)=O","InChI=1S/C29H41N3O8S/c1-19(16-32(25(34)39-27(2,3)4)26(35)40-28(5,6)7)14-20-15-29(20,24(33)38-8)23-17-31(18-30-23)21-10-12-22(13-11-21)41(9,36)37/h10-13,17-20H,14-16H2,1-9H3","GENODDLVKDNANN-UHFFFAOYSA-N",null,930]
[1780,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008271","CCCn1cnc2C[C@@](CCCN)(CCc12)C(O)=O","InChI=1S/C14H23N3O2/c1-2-8-17-10-16-11-9-14(13(18)19,5-3-7-15)6-4-12(11)17/h10H,2-9,15H2,1H3,(H,18,19)/t14-/m1/s1","DPDWQELEXVLQSO-CQSZACIVSA-N",null,1000]
[1781,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089745","CC1(C)C2CCC1(C)CC2NC(=O)[C@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C1CCCCC1","InChI=1S/C25H44N4O4/c1-24(2)17-12-13-25(24,3)15-19(17)27-21(30)20(16-9-5-4-6-10-16)29-23(33)28-18(22(31)32)11-7-8-14-26/h16-20H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)(H2,28,29,33)/t17?,18-,19?,20+,25?/m0/s1","JGZDQIFIFHMKDO-QMXHKPFUSA-N",null,1000]
[1782,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201433","NC(=N)N1CCC(CC1)C(CS)C(O)=O","InChI=1S/C9H17N3O2S/c10-9(11)12-3-1-6(2-4-12)7(5-15)8(13)14/h6-7,15H,1-5H2,(H3,10,11)(H,13,14)","NDKUATGVOUGBIH-UHFFFAOYSA-N",null,1070]
[1783,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575754","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccoc2)CCP1(O)=O)C(O)=O","InChI=1S/C14H23N2O5P.C2HF3O2/c15-5-2-1-4-14(13(17)18)11-16(6-8-22(14,19)20)9-12-3-7-21-10-12;3-2(4,5)1(6)7/h3,7,10H,1-2,4-6,8-9,11,15H2,(H,17,18)(H,19,20);(H,6,7)","WAYVWYLTVVVTBB-UHFFFAOYSA-N",null,1100]
[1784,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197531","CC12CC3CC(C)(C1)CC(C3)(C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C27H48N4O5S/c1-25-13-20-14-26(2,16-25)18-27(15-20,17-25)29-23(32)22(12-19-8-4-3-5-9-19)31-37(35,36)30-21(24(33)34)10-6-7-11-28/h19-22,30-31H,3-18,28H2,1-2H3,(H,29,32)(H,33,34)/t20?,21-,22-,25?,26?,27?/m0/s1","CZSZMCHTTSACDU-SQFQGINYSA-N",null,1100]
[1785,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575736","OC(=O)C(F)(F)F.NCCCCCC1(CCCCCCP1(O)=O)C(O)=O","InChI=1S/C13H26NO4P.C2HF3O2/c14-10-6-3-5-9-13(12(15)16)8-4-1-2-7-11-19(13,17)18;3-2(4,5)1(6)7/h1-11,14H2,(H,15,16)(H,17,18);(H,6,7)","NHOABYGHHQAXAK-UHFFFAOYSA-N",null,1100]
[1786,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197574","CCC[C@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C","InChI=1S/C21H40N4O5S/c1-5-8-15(24-31(29,30)25-16(19(27)28)9-6-7-12-22)18(26)23-17-13-14-10-11-21(17,4)20(14,2)3/h14-17,24-25H,5-13,22H2,1-4H3,(H,23,26)(H,27,28)/t14-,15+,16+,17+,21+/m1/s1","TUNXZSSDGLMJOX-RZSFDFLPSA-N",null,1100]
[1787,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197558","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCN)C(O)=O","InChI=1S/C24H44N4O5S/c1-23(2)17-11-12-24(23,3)20(15-17)26-21(29)19(14-16-8-5-4-6-9-16)28-34(32,33)27-18(22(30)31)10-7-13-25/h16-20,27-28H,4-15,25H2,1-3H3,(H,26,29)(H,30,31)/t17-,18+,19+,20+,24+/m1/s1","UFLJZTNISDJMGN-LJTNYMJHSA-N",null,1100]
[1788,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089739","NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NCc1ccc(Cl)cc1)C(O)=O","InChI=1S/C23H35ClN4O4/c24-18-11-9-17(10-12-18)15-26-21(29)20(14-16-6-2-1-3-7-16)28-23(32)27-19(22(30)31)8-4-5-13-25/h9-12,16,19-20H,1-8,13-15,25H2,(H,26,29)(H,30,31)(H2,27,28,32)/t19-,20+/m0/s1","VBPKSMGVSGMMAR-VQTJNVASSA-N",null,1200]
[1789,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008278","NCCC[C@]1(CCn2c(C1)ncc2-c1ccccc1)C(O)=O","InChI=1S/C17H21N3O2/c18-9-4-7-17(16(21)22)8-10-20-14(12-19-15(20)11-17)13-5-2-1-3-6-13/h1-3,5-6,12H,4,7-11,18H2,(H,21,22)/t17-/m1/s1","QUVXXNLGVUXFKY-QGZVFWFLSA-N",null,1300]
[1790,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089685","CC(C)CCNC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C26H43N5O6/c1-19(2)14-17-28-23(32)21(30-25(35)31-22(24(33)34)13-6-8-15-27)12-7-9-16-29-26(36)37-18-20-10-4-3-5-11-20/h3-5,10-11,19,21-22H,6-9,12-18,27H2,1-2H3,(H,28,32)(H,29,36)(H,33,34)(H2,30,31,35)/t21-,22+/m1/s1","CHTDAZARBWINCK-YADHBBJMSA-N",null,1400]
[1791,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395736","CCOC(=O)C(CCCCCN)C[Se]C(=O)CC","InChI=1S/C13H25NO3Se/c1-3-12(15)18-10-11(13(16)17-4-2)8-6-5-7-9-14/h11H,3-10,14H2,1-2H3","BOAPBPBQRLRKGC-UHFFFAOYSA-N",null,1400]
[1792,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575753","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccco2)CCP1(O)=O)C(O)=O","InChI=1S/C14H23N2O5P.C2HF3O2/c15-6-2-1-5-14(13(17)18)11-16(7-9-22(14,19)20)10-12-4-3-8-21-12;3-2(4,5)1(6)7/h3-4,8H,1-2,5-7,9-11,15H2,(H,17,18)(H,19,20);(H,6,7)","NHUTWXDCZGPHKX-UHFFFAOYSA-N",null,1500]
[1793,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197579","CC(=N)NCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C)C(O)=O","InChI=1S/C26H47N5O5S/c1-17(27)28-14-8-11-20(24(33)34)30-37(35,36)31-21(15-18-9-6-5-7-10-18)23(32)29-22-16-19-12-13-26(22,4)25(19,2)3/h18-22,30-31H,5-16H2,1-4H3,(H2,27,28)(H,29,32)(H,33,34)/t19-,20+,21+,22+,26+/m1/s1","OLGARYXRJUKFAM-RZFRIWOHSA-N",null,1500]
[1794,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089692","CC(C)CCNC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C21H40N4O4/c1-15(2)11-13-23-19(26)18(14-16-8-4-3-5-9-16)25-21(29)24-17(20(27)28)10-6-7-12-22/h15-18H,3-14,22H2,1-2H3,(H,23,26)(H,27,28)(H2,24,25,29)/t17-,18+/m0/s1","PNONBGCPQRQQBB-ZWKOTPCHSA-N",null,1500]
[1795,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144323","Cc1cc(N)ncc1CC(C(O)=O)c1cnc[nH]1","InChI=1S/C12H14N4O2/c1-7-2-11(13)15-4-8(7)3-9(12(17)18)10-5-14-6-16-10/h2,4-6,9H,3H2,1H3,(H2,13,15)(H,14,16)(H,17,18)","KALXZOHMRQIEQG-UHFFFAOYSA-N",null,1500]
[1796,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135933","Nc1ccc(CC(C(O)=O)c2cnc[nH]2)cn1","InChI=1S/C11H12N4O2/c12-10-2-1-7(4-14-10)3-8(11(16)17)9-5-13-6-15-9/h1-2,4-6,8H,3H2,(H2,12,14)(H,13,15)(H,16,17)","IFHWJTOFROTZBD-UHFFFAOYSA-N",null,1500]
[1797,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575737","OC(=O)C(F)(F)F.NCCCCCC1(CCCCCCCP1(O)=O)C(O)=O","InChI=1S/C14H28NO4P.C2HF3O2/c15-11-7-4-6-10-14(13(16)17)9-5-2-1-3-8-12-20(14,18)19;3-2(4,5)1(6)7/h1-12,15H2,(H,16,17)(H,18,19);(H,6,7)","YKJIFLVZYLYOAK-UHFFFAOYSA-N",null,1500]
[1798,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50121929","OC(=O)CC(Cc1ccccc1)C(O)=O","InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)","GTOFKXZQQDSVFH-UHFFFAOYSA-N",null,1600]
[1799,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395734","NCCCCCC(C[Se]C(=O)CCCc1ccccc1)C(O)=O","InChI=1S/C18H27NO3Se/c19-13-6-2-5-11-16(18(21)22)14-23-17(20)12-7-10-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14,19H2,(H,21,22)","KMMJFXKNWGNVOX-UHFFFAOYSA-N",null,1600]
[1800,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197544","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1ccncc1)C(O)=O","InChI=1S/C27H42N4O5S/c1-26(2)20-9-12-27(26,3)23(17-20)29-24(32)21(15-18-7-5-4-6-8-18)30-37(35,36)31-22(25(33)34)16-19-10-13-28-14-11-19/h10-11,13-14,18,20-23,30-31H,4-9,12,15-17H2,1-3H3,(H,29,32)(H,33,34)/t20-,21+,22+,23+,27+/m1/s1","HDEKKTYMNZXVPF-BXOWXZKISA-N",null,1700]
[1801,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197560","NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CCCCC1)C(O)=O","InChI=1S/C21H40N4O5S/c22-14-8-7-13-18(21(27)28)24-31(29,30)25-19(15-16-9-3-1-4-10-16)20(26)23-17-11-5-2-6-12-17/h16-19,24-25H,1-15,22H2,(H,23,26)(H,27,28)/t18-,19-/m0/s1","JAJRRGCSNAXOQY-OALUTQOASA-N",null,1700]
[1802,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197562","CC1CCCC(C1)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C22H42N4O5S/c1-16-8-7-11-18(14-16)24-21(27)20(15-17-9-3-2-4-10-17)26-32(30,31)25-19(22(28)29)12-5-6-13-23/h16-20,25-26H,2-15,23H2,1H3,(H,24,27)(H,28,29)/t16?,18?,19-,20-/m0/s1","NMIJCOOOMNGWHA-QUDVFMAMSA-N",null,1700]
[1803,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197564","CC(C)(C)C1CCC(CC1)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C25H48N4O5S/c1-25(2,3)19-12-14-20(15-13-19)27-23(30)22(17-18-9-5-4-6-10-18)29-35(33,34)28-21(24(31)32)11-7-8-16-26/h18-22,28-29H,4-17,26H2,1-3H3,(H,27,30)(H,31,32)/t19?,20?,21-,22-/m0/s1","WXMPWZLDDZZEQU-UJKMTWAASA-N",null,1700]
[1804,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575734","OC(=O)C(F)(F)F.NCCCCCC1(CCCCCP1(O)=O)C(O)=O","InChI=1S/C12H24NO4P.C2HF3O2/c13-9-5-1-3-7-12(11(14)15)8-4-2-6-10-18(12,16)17;3-2(4,5)1(6)7/h1-10,13H2,(H,14,15)(H,16,17);(H,6,7)","QMULMHHDRFZRDX-UHFFFAOYSA-N",null,1800]
[1805,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395733","NCCCCCC(C[Se]C(=O)CCc1ccccc1)C(O)=O","InChI=1S/C17H25NO3Se/c18-12-6-2-5-9-15(17(20)21)13-22-16(19)11-10-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13,18H2,(H,20,21)","JNRHODQLZKDDMA-UHFFFAOYSA-N",null,2000]
[1806,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197539","NCCCC[C@H](NS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O","InChI=1S/C25H38N4O5S/c26-9-5-4-8-21(24(31)32)28-35(33,34)29-22(13-17-6-2-1-3-7-17)23(30)27-25-14-18-10-19(15-25)12-20(11-18)16-25/h1-3,6-7,18-22,28-29H,4-5,8-16,26H2,(H,27,30)(H,31,32)/t18?,19?,20?,21-,22-,25?/m0/s1","PMFATEWIKGNXDY-LYSMGBOCSA-N",null,2100]
[1807,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008277","CCc1cnc2CC(CCCN)(CCn12)C(O)=O","InChI=1S/C13H21N3O2/c1-2-10-9-15-11-8-13(12(17)18,4-3-6-14)5-7-16(10)11/h9H,2-8,14H2,1H3,(H,17,18)","LZWVQAPNCQXHEO-UHFFFAOYSA-N",null,2270]
[1808,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197552","CC[C@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C","InChI=1S/C20H38N4O5S/c1-5-14(23-30(28,29)24-15(18(26)27)8-6-7-11-21)17(25)22-16-12-13-9-10-20(16,4)19(13,2)3/h13-16,23-24H,5-12,21H2,1-4H3,(H,22,25)(H,26,27)/t13-,14+,15+,16+,20+/m1/s1","WCKOBJUGMBTSIE-HYUNPYRHSA-N",null,2300]
[1809,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008274","NCCC[C@]1(CCc2c(C1)ncn2Cc1cccc(c1)-c1ccccc1)C(O)=O","InChI=1S/C24H27N3O2/c25-13-5-11-24(23(28)29)12-10-22-21(15-24)26-17-27(22)16-18-6-4-9-20(14-18)19-7-2-1-3-8-19/h1-4,6-9,14,17H,5,10-13,15-16,25H2,(H,28,29)/t24-/m1/s1","XFDUWSDSIRIRFB-XMMPIXPASA-N",null,2500]
[1810,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395729","CCOC(=O)C(C[Se]C(=O)CC)Cc1cnc(N)c(Cl)c1","InChI=1S/C14H19ClN2O3Se/c1-3-12(18)21-8-10(14(19)20-4-2)5-9-6-11(15)13(16)17-7-9/h6-7,10H,3-5,8H2,1-2H3,(H2,16,17)","KUNRSCIAQGRNQR-UHFFFAOYSA-N",null,2600]
[1811,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575735","OC(=O)C(F)(F)F.NCCCCC1(CCCCCCP1(O)=O)C(O)=O","InChI=1S/C12H24NO4P.C2HF3O2/c13-9-5-4-8-12(11(14)15)7-3-1-2-6-10-18(12,16)17;3-2(4,5)1(6)7/h1-10,13H2,(H,14,15)(H,16,17);(H,6,7)","JLQXSHRZLZSFOX-UHFFFAOYSA-N",null,2600]
[1812,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326390","C[C@@H](CN)C[C@@H]1C[C@@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C16H20N4O2/c1-11(8-17)6-12-7-16(12,15(21)22)13-9-20(10-19-13)14-4-2-3-5-18-14/h2-5,9-12H,6-8,17H2,1H3,(H,21,22)/t11-,12-,16+/m1/s1","FKDQZBMTXAMQNM-HSMVNMDESA-N",null,">3000"]
[1813,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575756","COc1ccc(CN2CCP(O)(=O)C(CCCCN)(C2)C(O)=O)cc1","InChI=1S/C17H27N2O5P/c1-24-15-6-4-14(5-7-15)12-19-10-11-25(22,23)17(13-19,16(20)21)8-2-3-9-18/h4-7H,2-3,8-13,18H2,1H3,(H,20,21)(H,22,23)","FXOKEWONEPPFLB-UHFFFAOYSA-N",null,3104]
[1814,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008279","Cl.NCCC[C@]1(CCn2c(C1)ncc2-c1cccc(c1)-c1ccc(Cl)cc1Cl)C(O)=O","InChI=1S/C23H23Cl2N3O2.ClH/c24-17-5-6-18(19(25)12-17)15-3-1-4-16(11-15)20-14-27-21-13-23(22(29)30,7-2-9-26)8-10-28(20)21;/h1,3-6,11-12,14H,2,7-10,13,26H2,(H,29,30);1H/t23-;/m1./s1","IOOZRTSDGXVNMZ-GNAFDRTKSA-N",null,3200]
[1815,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395730","Nc1ncc(CC(C[Se][Se]CC(Cc2cnc(N)c(Cl)c2)C(O)=O)C(O)=O)cc1Cl","InChI=1S/C18H20Cl2N4O4Se2/c19-13-3-9(5-23-15(13)21)1-11(17(25)26)7-29-30-8-12(18(27)28)2-10-4-14(20)16(22)24-6-10/h3-6,11-12H,1-2,7-8H2,(H2,21,23)(H2,22,24)(H,25,26)(H,27,28)","LKLRNWHRLUKWFJ-UHFFFAOYSA-N",null,3300]
[1816,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144329","OC(=O)C(Cc1ccc2nccn2c1)c1cnc[nH]1","InChI=1S/C13H12N4O2/c18-13(19)10(11-6-14-8-16-11)5-9-1-2-12-15-3-4-17(12)7-9/h1-4,6-8,10H,5H2,(H,14,16)(H,18,19)","LRSURPFUBNBRFH-UHFFFAOYSA-N",null,3300]
[1817,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089746","CC1(C)C2CCC1(C)CC2NC(=O)CNC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C19H34N4O4/c1-18(2)12-7-8-19(18,3)10-14(12)22-15(24)11-21-17(27)23-13(16(25)26)6-4-5-9-20/h12-14H,4-11,20H2,1-3H3,(H,22,24)(H,25,26)(H2,21,23,27)/t12?,13-,14?,19?/m0/s1","YGNRCDSARDVNRZ-NWRIMCLESA-N",null,3700]
[1818,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395738","CC(=O)SCC(CCCCCN)C(O)=O","InChI=1S/C10H19NO3S/c1-8(12)15-7-9(10(13)14)5-3-2-4-6-11/h9H,2-7,11H2,1H3,(H,13,14)","AFSFNKKPRPMFHO-UHFFFAOYSA-N",null,3800]
[1819,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197563","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O","InChI=1S/C25H41N5O5S/c1-24(2)17-9-10-25(24,3)21(12-17)28-22(31)19(11-16-7-5-4-6-8-16)29-36(34,35)30-20(23(32)33)13-18-14-26-15-27-18/h14-17,19-21,29-30H,4-13H2,1-3H3,(H,26,27)(H,28,31)(H,32,33)/t17-,19+,20+,21+,25+/m1/s1","MWDYDFUMFPIWRS-FAJCANAKSA-N",null,4400]
[1820,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144324","NCCCCCC(C(O)=O)c1cnc[nH]1","InChI=1S/C10H17N3O2/c11-5-3-1-2-4-8(10(14)15)9-6-12-7-13-9/h6-8H,1-5,11H2,(H,12,13)(H,14,15)","XZPKPIITOZJCFP-UHFFFAOYSA-N",null,4700]
[1821,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226610","CCCn1cnc(C[C@H](CCCN)C(O)=O)c1","InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s1","OTDGPKRCQXSTPV-JTQLQIEISA-N",null,5000]
[1822,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575731","OC(=O)C(F)(F)F.NCCCCCC1(CCCCP1(O)=O)C(O)=O","InChI=1S/C11H22NO4P.C2HF3O2/c12-8-4-1-2-6-11(10(13)14)7-3-5-9-17(11,15)16;3-2(4,5)1(6)7/h1-9,12H2,(H,13,14)(H,15,16);(H,6,7)","QAGLSNXWEACUTA-UHFFFAOYSA-N",null,5000]
[1823,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575733","OC(=O)C(F)(F)F.NCCCCC1(CCCCCP1(O)=O)C(O)=O","InChI=1S/C11H22NO4P.C2HF3O2/c12-8-4-3-7-11(10(13)14)6-2-1-5-9-17(11,15)16;3-2(4,5)1(6)7/h1-9,12H2,(H,13,14)(H,15,16);(H,6,7)","JZGRPJDDVVMQLZ-UHFFFAOYSA-N",null,5000]
[1824,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144332","Nc1ncc(CC(C(O)=O)c2cnc[nH]2)cc1Cl","InChI=1S/C11H11ClN4O2/c12-8-2-6(3-15-10(8)13)1-7(11(17)18)9-4-14-5-16-9/h2-5,7H,1H2,(H2,13,15)(H,14,16)(H,17,18)","MJTFFPFQFJNAGQ-UHFFFAOYSA-N",null,5300]
[1825,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201432","CC(=N)N1CCC(CC1)C(CS)C(O)=O","InChI=1S/C10H18N2O2S/c1-7(11)12-4-2-8(3-5-12)9(6-15)10(13)14/h8-9,11,15H,2-6H2,1H3,(H,13,14)","ODTIDKLOSIANQV-UHFFFAOYSA-N",null,5300]
[1826,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197534","CC1CC(CC(C)(C)C1)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C24H46N4O5S/c1-17-13-19(16-24(2,3)15-17)26-22(29)21(14-18-9-5-4-6-10-18)28-34(32,33)27-20(23(30)31)11-7-8-12-25/h17-21,27-28H,4-16,25H2,1-3H3,(H,26,29)(H,30,31)/t17?,19?,20-,21-/m0/s1","YGZGRMDSLQIEKK-BOWFFMLLSA-N",null,5700]
[1827,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144339","Cc1nc(N)ccc1CC(C(O)=O)c1cnc[nH]1","InChI=1S/C12H14N4O2/c1-7-8(2-3-11(13)16-7)4-9(12(17)18)10-5-14-6-15-10/h2-3,5-6,9H,4H2,1H3,(H2,13,16)(H,14,15)(H,17,18)","XGTNBKDLXCKTDY-UHFFFAOYSA-N",null,5800]
[1828,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089747","CC(C)(NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC1CC2(C)CCC1C2(C)C","InChI=1S/C21H38N4O4/c1-19(2)13-9-10-21(19,5)12-15(13)23-17(28)20(3,4)25-18(29)24-14(16(26)27)8-6-7-11-22/h13-15H,6-12,22H2,1-5H3,(H,23,28)(H,26,27)(H2,24,25,29)/t13?,14-,15?,21?/m0/s1","UKTRIANNESCITF-WYIKUNGISA-N",null,6100]
[1829,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197553","CC1(C)C2CCC1(C)C(C2)OC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C25H45N3O6S/c1-24(2)18-12-13-25(24,3)21(16-18)34-23(31)20(15-17-9-5-4-6-10-17)28-35(32,33)27-19(22(29)30)11-7-8-14-26/h17-21,27-28H,4-16,26H2,1-3H3,(H,29,30)/t18?,19-,20-,21?,25?/m0/s1","IGNKCFDUYAOGGL-VKTGUWLDSA-N",null,6400]
[1830,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144327","Nc1ncc(CC(C(O)=O)c2cnc[nH]2)cc1F","InChI=1S/C11H11FN4O2/c12-8-2-6(3-15-10(8)13)1-7(11(17)18)9-4-14-5-16-9/h2-5,7H,1H2,(H2,13,15)(H,14,16)(H,17,18)","SMMKWWBBCKGWEQ-UHFFFAOYSA-N",null,6700]
[1831,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197561","CC(C)(C)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C19H38N4O5S/c1-19(2,3)21-17(24)16(13-14-9-5-4-6-10-14)23-29(27,28)22-15(18(25)26)11-7-8-12-20/h14-16,22-23H,4-13,20H2,1-3H3,(H,21,24)(H,25,26)/t15-,16-/m0/s1","LVOZNJMCMRKNQO-HOTGVXAUSA-N",null,6700]
[1832,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144321","NCCCC(C(O)=O)c1cnc[nH]1","InChI=1S/C8H13N3O2/c9-3-1-2-6(8(12)13)7-4-10-5-11-7/h4-6H,1-3,9H2,(H,10,11)(H,12,13)","BSUQXFIQHAIGHA-UHFFFAOYSA-N",null,6800]
[1833,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144341","NC1CCC(CC(C(O)=O)c2cnc[nH]2)CC1","InChI=1S/C12H19N3O2/c13-9-3-1-8(2-4-9)5-10(12(16)17)11-6-14-7-15-11/h6-10H,1-5,13H2,(H,14,15)(H,16,17)","QDWZLLMKOBKAAN-UHFFFAOYSA-N",null,7000]
[1834,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197545","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1ccc(N)cc1)C(O)=O","InChI=1S/C28H44N4O5S/c1-27(2)20-13-14-28(27,3)24(17-20)30-25(33)22(15-18-7-5-4-6-8-18)31-38(36,37)32-23(26(34)35)16-19-9-11-21(29)12-10-19/h9-12,18,20,22-24,31-32H,4-8,13-17,29H2,1-3H3,(H,30,33)(H,34,35)/t20-,22+,23+,24+,28+/m1/s1","JMPROEFTODXVTK-PBXXYNGLSA-N",null,7100]
[1835,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008276","NCCCC1(CCc2c(C1)ncn2-c1ccccc1)C(O)=O","InChI=1S/C17H21N3O2/c18-10-4-8-17(16(21)22)9-7-15-14(11-17)19-12-20(15)13-5-2-1-3-6-13/h1-3,5-6,12H,4,7-11,18H2,(H,21,22)","GBGNYJCWTUIJPT-UHFFFAOYSA-N",null,7100]
[1836,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201436","NCC(=O)N1CCC(CC1)C(CS)C(O)=O","InChI=1S/C10H18N2O3S/c11-5-9(13)12-3-1-7(2-4-12)8(6-16)10(14)15/h7-8,16H,1-6,11H2,(H,14,15)","NPCZDASYWFJQJA-UHFFFAOYSA-N",null,7350]
[1837,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008270","CCCn1cnc(CC(NCCN)C(O)=O)c1","InChI=1S/C11H20N4O2/c1-2-5-15-7-9(14-8-15)6-10(11(16)17)13-4-3-12/h7-8,10,13H,2-6,12H2,1H3,(H,16,17)","UVTMXVBQOPVNHA-UHFFFAOYSA-N",null,8000]
[1838,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575751","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2cccnc2)CCP1(O)=O)C(O)=O","InChI=1S/C15H24N3O4P.C2HF3O2/c16-6-2-1-5-15(14(19)20)12-18(8-9-23(15,21)22)11-13-4-3-7-17-10-13;3-2(4,5)1(6)7/h3-4,7,10H,1-2,5-6,8-9,11-12,16H2,(H,19,20)(H,21,22);(H,6,7)","YWJYYQOJGKUZDS-UHFFFAOYSA-N",null,8000]
[1839,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575748","OC(=O)C(F)(F)F.NCCCCC1(CN(CCc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C17H27N2O4P.C2HF3O2/c18-10-5-4-9-17(16(20)21)14-19(12-13-24(17,22)23)11-8-15-6-2-1-3-7-15;3-2(4,5)1(6)7/h1-3,6-7H,4-5,8-14,18H2,(H,20,21)(H,22,23);(H,6,7)","ZOTFJHNLCQTIEX-UHFFFAOYSA-N",null,8700]
[1840,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173893","NCCCC[C@H](NC(=O)N[C@@H]1Cc2ccc(OCCCCOCCNC1=O)cc2)C(O)=O","InChI=1S/C22H34N4O6/c23-10-2-1-5-18(21(28)29)25-22(30)26-19-15-16-6-8-17(9-7-16)32-13-4-3-12-31-14-11-24-20(19)27/h6-9,18-19H,1-5,10-15,23H2,(H,24,27)(H,28,29)(H2,25,26,30)/t18-,19+/m0/s1","FFCFLBMRACESBH-RBUKOAKNSA-N",null,9044,{"$nulls":4},7.4,"25.00 C"]
[1841,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575744","OC(=O)C(F)(F)F.NCCCCC1(CNCCP1(O)=O)C(O)=O","InChI=1S/C9H19N2O4P.C2HF3O2/c10-4-2-1-3-9(8(12)13)7-11-5-6-16(9,14)15;3-2(4,5)1(6)7/h11H,1-7,10H2,(H,12,13)(H,14,15);(H,6,7)","SNYGSVSENJFZFI-UHFFFAOYSA-N",null,9300]
[1842,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326361","CCOC(=O)C1(CC1CCCN)c1cn(cn1)-c1ccc(C)cc1","InChI=1S/C19H25N3O2/c1-3-24-18(23)19(11-15(19)5-4-10-20)17-12-22(13-21-17)16-8-6-14(2)7-9-16/h6-9,12-13,15H,3-5,10-11,20H2,1-2H3","LVXJMKKSUFMMJM-UHFFFAOYSA-N",null,10000]
[1843,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326364","COC(=O)[C@@]1(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccccc1","InChI=1S/C27H37N3O6/c1-25(2,3)35-23(32)30(24(33)36-26(4,5)6)15-11-12-19-16-27(19,22(31)34-7)21-17-29(18-28-21)20-13-9-8-10-14-20/h8-10,13-14,17-19H,11-12,15-16H2,1-7H3/t19-,27+/m0/s1","UJVDFWJVJPJVJK-UZTOHYMASA-N",null,">10000"]
[1844,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197566","CC(C)C[C@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC12CC3CC(CC(C3)C1)C2","InChI=1S/C22H40N4O5S/c1-14(2)7-19(26-32(30,31)25-18(21(28)29)5-3-4-6-23)20(27)24-22-11-15-8-16(12-22)10-17(9-15)13-22/h14-19,25-26H,3-13,23H2,1-2H3,(H,24,27)(H,28,29)/t15?,16?,17?,18-,19-,22?/m0/s1","LDFLBXVUTJIWLT-DDNHJUOSSA-N",null,10000]
[1845,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575742","NCCCC[C@@]1(CN(Cc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C16H25N2O4P/c17-9-5-4-8-16(15(19)20)13-18(10-11-23(16,21)22)12-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13,17H2,(H,19,20)(H,21,22)/t16-/m1/s1","ZNSVXALGZJWZDW-MRXNPFEDSA-N",null,10700]
[1846,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575730","OC(=O)C(F)(F)F.NCCCCC1(CCCCP1(O)=O)C(O)=O","InChI=1S/C10H20NO4P.C2HF3O2/c11-7-3-1-5-10(9(12)13)6-2-4-8-16(10,14)15;3-2(4,5)1(6)7/h1-8,11H2,(H,12,13)(H,14,15);(H,6,7)","QAYYIGFIHMZQCZ-UHFFFAOYSA-N",null,11700]
[1847,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144330","Nc1cc(CC(C(O)=O)c2cnc[nH]2)ccn1","InChI=1S/C11H12N4O2/c12-10-4-7(1-2-14-10)3-8(11(16)17)9-5-13-6-15-9/h1-2,4-6,8H,3H2,(H2,12,14)(H,13,15)(H,16,17)","HYHAXVLPBRMADO-UHFFFAOYSA-N",null,12000]
[1848,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144318","CNc1ccc(CC(C(O)=O)c2cnc[nH]2)cn1","InChI=1S/C12H14N4O2/c1-13-11-3-2-8(5-15-11)4-9(12(17)18)10-6-14-7-16-10/h2-3,5-7,9H,4H2,1H3,(H,13,15)(H,14,16)(H,17,18)","BOHWPWFPCZGWLB-UHFFFAOYSA-N",null,13000]
[1849,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197527","NCCCC[C@H](NS(N)(=O)=O)C(O)=O","InChI=1S/C6H15N3O4S/c7-4-2-1-3-5(6(10)11)9-14(8,12)13/h5,9H,1-4,7H2,(H,10,11)(H2,8,12,13)/t5-/m0/s1","IASBEZUWLDLXMF-YFKPBYRVSA-N",null,15000]
[1850,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144343","Nc1cccc(CC(C(O)=O)c2cnc[nH]2)n1","InChI=1S/C11H12N4O2/c12-10-3-1-2-7(15-10)4-8(11(16)17)9-5-13-6-14-9/h1-3,5-6,8H,4H2,(H2,12,15)(H,13,14)(H,16,17)","PAWOJNNZSAZPFM-UHFFFAOYSA-N",null,15000]
[1851,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008275","NCCCC1(CCc2c(C1)ncn2CCC1CCC(CC1)C1CCCCC1)C(O)=O","InChI=1S/C25H41N3O2/c26-15-4-13-25(24(29)30)14-11-23-22(17-25)27-18-28(23)16-12-19-7-9-21(10-8-19)20-5-2-1-3-6-20/h18-21H,1-17,26H2,(H,29,30)","KUVAYHVUNQWSPM-UHFFFAOYSA-N",null,16000]
[1852,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575728","OC(=O)C(F)(F)F.NCCCCCC1(CCCP1(O)=O)C(O)=O","InChI=1S/C10H20NO4P.C2HF3O2/c11-7-3-1-2-5-10(9(12)13)6-4-8-16(10,14)15;3-2(4,5)1(6)7/h1-8,11H2,(H,12,13)(H,14,15);(H,6,7)","XBJIYYNAOAZQNT-UHFFFAOYSA-N",null,18000]
[1853,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575727","OC(=O)C(F)(F)F.NCCCCC1(CCCP1(O)=O)C(O)=O","InChI=1S/C9H18NO4P.C2HF3O2/c10-6-2-1-4-9(8(11)12)5-3-7-15(9,13)14;3-2(4,5)1(6)7/h1-7,10H2,(H,11,12)(H,13,14);(H,6,7)","MZQXZQRRRNTYIJ-UHFFFAOYSA-N",null,19000]
[1854,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144328","OC(=O)C(CC1CNC1)c1cnc[nH]1","InChI=1S/C9H13N3O2/c13-9(14)7(1-6-2-10-3-6)8-4-11-5-12-8/h4-7,10H,1-3H2,(H,11,12)(H,13,14)","QOPLLDRZVJKFKZ-UHFFFAOYSA-N",null,">20000"]
[1855,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144345","OC(=O)C(CCC1CCNCC1)c1cnc[nH]1","InChI=1S/C12H19N3O2/c16-12(17)10(11-7-14-8-15-11)2-1-9-3-5-13-6-4-9/h7-10,13H,1-6H2,(H,14,15)(H,16,17)","VGONPUQQNFWWKY-UHFFFAOYSA-N",null,">20000"]
[1856,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144347","OC(=O)C(CC1CCCNCC1)c1cnc[nH]1","InChI=1S/C12H19N3O2/c16-12(17)10(11-7-14-8-15-11)6-9-2-1-4-13-5-3-9/h7-10,13H,1-6H2,(H,14,15)(H,16,17)","INJCJHZOMQZWIL-UHFFFAOYSA-N",null,">20000"]
[1857,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144331","OC(=O)C(CCC1CCCNCC1)c1cnc[nH]1","InChI=1S/C13H21N3O2/c17-13(18)11(12-8-15-9-16-12)4-3-10-2-1-6-14-7-5-10/h8-11,14H,1-7H2,(H,15,16)(H,17,18)","GAIGLPJJMSVFPK-UHFFFAOYSA-N",null,">20000"]
[1858,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144344","OC(=O)C(CCC1CNC1)c1cnc[nH]1","InChI=1S/C10H15N3O2/c14-10(15)8(9-5-12-6-13-9)2-1-7-3-11-4-7/h5-8,11H,1-4H2,(H,12,13)(H,14,15)","UQXHMWXXCVCNPW-UHFFFAOYSA-N",null,">20000"]
[1859,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144346","NC1CCCC(CC(C(O)=O)c2cnc[nH]2)C1","InChI=1S/C12H19N3O2/c13-9-3-1-2-8(4-9)5-10(12(16)17)11-6-14-7-15-11/h6-10H,1-5,13H2,(H,14,15)(H,16,17)","IJYXPKYOLPUBTD-UHFFFAOYSA-N",null,">20000"]
[1860,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144340","OC(=O)C(CC1CCNCC1)c1cnc[nH]1","InChI=1S/C11H17N3O2/c15-11(16)9(10-6-13-7-14-10)5-8-1-3-12-4-2-8/h6-9,12H,1-5H2,(H,13,14)(H,15,16)","DLGFDVPVEWXPED-UHFFFAOYSA-N",null,">20000"]
[1861,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144315","OC(=O)C(CC1CCNC1)c1cnc[nH]1","InChI=1S/C10H15N3O2/c14-10(15)8(9-5-12-6-13-9)3-7-1-2-11-4-7/h5-8,11H,1-4H2,(H,12,13)(H,14,15)","INVOTOQAZAYERD-UHFFFAOYSA-N",null,">20000"]
[1862,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144335","OC(=O)C(CCC1CCNC1)c1cnc[nH]1","InChI=1S/C11H17N3O2/c15-11(16)9(10-6-13-7-14-10)2-1-8-3-4-12-5-8/h6-9,12H,1-5H2,(H,13,14)(H,15,16)","JCLSZUPFUNWOHZ-UHFFFAOYSA-N",null,">20000"]
[1863,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575746","OC(=O)C(F)(F)F.CCCCCN1CCP(O)(=O)C(CCCCN)(C1)C(O)=O","InChI=1S/C14H29N2O4P.C2HF3O2/c1-2-3-6-9-16-10-11-21(19,20)14(12-16,13(17)18)7-4-5-8-15;3-2(4,5)1(6)7/h2-12,15H2,1H3,(H,17,18)(H,19,20);(H,6,7)","GTJSIOCTVDRGGF-UHFFFAOYSA-N",null,20100]
[1864,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197577","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1ccccc1)C(O)=O","InChI=1S/C28H43N3O5S/c1-27(2)21-14-15-28(27,3)24(18-21)29-25(32)22(16-19-10-6-4-7-11-19)30-37(35,36)31-23(26(33)34)17-20-12-8-5-9-13-20/h5,8-9,12-13,19,21-24,30-31H,4,6-7,10-11,14-18H2,1-3H3,(H,29,32)(H,33,34)/t21-,22+,23+,24+,28+/m1/s1","KJDYVYATVMPQOW-HOZMCVABSA-N",null,24000]
[1865,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144319","CNCCCCC(C(O)=O)c1cnc[nH]1","InChI=1S/C10H17N3O2/c1-11-5-3-2-4-8(10(14)15)9-6-12-7-13-9/h6-8,11H,2-5H2,1H3,(H,12,13)(H,14,15)","FKWZRTDRIWYJKY-UHFFFAOYSA-N",null,26000]
[1866,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197547","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCC(N)=O)C(O)=O","InChI=1S/C25H44N4O6S/c1-24(2)17-12-13-25(24,3)20(15-17)27-22(31)19(14-16-8-5-4-6-9-16)29-36(34,35)28-18(23(32)33)10-7-11-21(26)30/h16-20,28-29H,4-15H2,1-3H3,(H2,26,30)(H,27,31)(H,32,33)/t17-,18+,19+,20+,25+/m1/s1","DKUDMGHEJNAILF-PDGNJTGUSA-N",null,">30000"]
[1867,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197546","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCNC(N)=O)C(O)=O","InChI=1S/C26H47N5O6S/c1-25(2)18-12-13-26(25,3)21(16-18)29-22(32)20(15-17-9-5-4-6-10-17)31-38(36,37)30-19(23(33)34)11-7-8-14-28-24(27)35/h17-21,30-31H,4-16H2,1-3H3,(H,29,32)(H,33,34)(H3,27,28,35)/t18-,19+,20+,21+,26+/m1/s1","ZGYPRMDALXFDCP-QDKCGITRSA-N",null,">30000"]
[1868,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197538","CC(C)[C@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC12CC3CC(CC(C3)C1)C2","InChI=1S/C21H38N4O5S/c1-13(2)18(25-31(29,30)24-17(20(27)28)5-3-4-6-22)19(26)23-21-10-14-7-15(11-21)9-16(8-14)12-21/h13-18,24-25H,3-12,22H2,1-2H3,(H,23,26)(H,27,28)/t14?,15?,16?,17-,18-,21?/m0/s1","OUNNZIYXVZDQEH-OITRNQOZSA-N",null,">30000"]
[1869,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575767","NCCCCC1(CN(Cc2ccccc2Oc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C22H29N2O5P/c23-13-7-6-12-22(21(25)26)17-24(14-15-30(22,27)28)16-18-8-4-5-11-20(18)29-19-9-2-1-3-10-19/h1-5,8-11H,6-7,12-17,23H2,(H,25,26)(H,27,28)","HJMUGZLCPOUGGN-UHFFFAOYSA-N",null,">30000"]
[1870,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197535","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCO)C(O)=O","InChI=1S/C25H45N3O6S/c1-24(2)18-12-13-25(24,3)21(16-18)26-22(30)20(15-17-9-5-4-6-10-17)28-35(33,34)27-19(23(31)32)11-7-8-14-29/h17-21,27-29H,4-16H2,1-3H3,(H,26,30)(H,31,32)/t18-,19+,20+,21+,25+/m1/s1","JGBKTEBOXQKXIS-PHGOAHNDSA-N",null,">30000"]
[1871,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197529","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CC1CCC(N)CC1)C(O)=O","InChI=1S/C28H50N4O5S/c1-27(2)20-13-14-28(27,3)24(17-20)30-25(33)22(15-18-7-5-4-6-8-18)31-38(36,37)32-23(26(34)35)16-19-9-11-21(29)12-10-19/h18-24,31-32H,4-17,29H2,1-3H3,(H,30,33)(H,34,35)/t19?,20-,21?,22+,23+,24+,28+/m1/s1","ZUVKLOWIUQUADU-MMFKTKKRSA-N",null,">30000"]
[1872,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197537","C[C@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC12CC3CC(CC(C3)C1)C2","InChI=1S/C19H34N4O5S/c1-12(22-29(27,28)23-16(18(25)26)4-2-3-5-20)17(24)21-19-9-13-6-14(10-19)8-15(7-13)11-19/h12-16,22-23H,2-11,20H2,1H3,(H,21,24)(H,25,26)/t12-,13?,14?,15?,16-,19?/m0/s1","JCWJMQFYTRMVQI-VYXJFRSESA-N",null,">30000"]
[1873,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575766","NCCCCC1(CN(Cc2ccc(cc2)-c2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C22H29N2O4P/c23-13-5-4-12-22(21(25)26)17-24(14-15-29(22,27)28)16-18-8-10-20(11-9-18)19-6-2-1-3-7-19/h1-3,6-11H,4-5,12-17,23H2,(H,25,26)(H,27,28)","XKEWZZHDFCZESH-UHFFFAOYSA-N",null,">30000"]
[1874,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575765","NCCCCC1(CN(Cc2cccc(c2)-c2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C22H29N2O4P/c23-12-5-4-11-22(21(25)26)17-24(13-14-29(22,27)28)16-18-7-6-10-20(15-18)19-8-2-1-3-9-19/h1-3,6-10,15H,4-5,11-14,16-17,23H2,(H,25,26)(H,27,28)","KQZZDKNZPXKLSL-UHFFFAOYSA-N",null,">30000"]
[1875,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575750","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccncc2)CCP1(O)=O)C(O)=O","InChI=1S/C15H24N3O4P.C2HF3O2/c16-6-2-1-5-15(14(19)20)12-18(9-10-23(15,21)22)11-13-3-7-17-8-4-13;3-2(4,5)1(6)7/h3-4,7-8H,1-2,5-6,9-12,16H2,(H,19,20)(H,21,22);(H,6,7)","QEBCYXQAFHKXPG-UHFFFAOYSA-N",null,">30000"]
[1876,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575749","OC(=O)C(F)(F)F.NCCCCC1(CN(CCCc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C18H29N2O4P.C2HF3O2/c19-11-5-4-10-18(17(21)22)15-20(13-14-25(18,23)24)12-6-9-16-7-2-1-3-8-16;3-2(4,5)1(6)7/h1-3,7-8H,4-6,9-15,19H2,(H,21,22)(H,23,24);(H,6,7)","WABNGSKCJVZLRR-UHFFFAOYSA-N",null,">30000"]
[1877,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575747","OC(=O)C(F)(F)F.NCCCCC1(CN(CC2CCCCC2)CCP1(O)=O)C(O)=O","InChI=1S/C16H31N2O4P.C2HF3O2/c17-9-5-4-8-16(15(19)20)13-18(10-11-23(16,21)22)12-14-6-2-1-3-7-14;3-2(4,5)1(6)7/h14H,1-13,17H2,(H,19,20)(H,21,22);(H,6,7)","XWJHIWXVFDQHNS-UHFFFAOYSA-N",null,">30000"]
[1878,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575745","OC(=O)C(F)(F)F.CN1CCP(O)(=O)C(CCCCN)(C1)C(O)=O","InChI=1S/C10H21N2O4P.C2HF3O2/c1-12-6-7-17(15,16)10(8-12,9(13)14)4-2-3-5-11;3-2(4,5)1(6)7/h2-8,11H2,1H3,(H,13,14)(H,15,16);(H,6,7)","VDCVXOSANJZRMT-UHFFFAOYSA-N",null,">30000"]
[1879,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575738","OC(=O)C(F)(F)F.NCCCC1(CN(Cc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C15H23N2O4P.C2HF3O2/c16-8-4-7-15(14(18)19)12-17(9-10-22(15,20)21)11-13-5-2-1-3-6-13;3-2(4,5)1(6)7/h1-3,5-6H,4,7-12,16H2,(H,18,19)(H,20,21);(H,6,7)","JSXJTBAFMDDNGE-UHFFFAOYSA-N",null,">30000"]
[1880,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575732","OC(=O)C(F)(F)F.NCCCCCCC1(CCCCP1(O)=O)C(O)=O","InChI=1S/C12H24NO4P.C2HF3O2/c13-9-5-2-1-3-7-12(11(14)15)8-4-6-10-18(12,16)17;3-2(4,5)1(6)7/h1-10,13H2,(H,14,15)(H,16,17);(H,6,7)","XDGARBGWYWYZQY-UHFFFAOYSA-N",null,">30000"]
[1881,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575729","OC(=O)C(F)(F)F.NCCCC1(CCCCP1(O)=O)C(O)=O","InChI=1S/C9H18NO4P.C2HF3O2/c10-6-3-5-9(8(11)12)4-1-2-7-15(9,13)14;3-2(4,5)1(6)7/h1-7,10H2,(H,11,12)(H,13,14);(H,6,7)","FFWSKXWONZITCN-UHFFFAOYSA-N",null,">30000"]
[1882,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197569","NCCCC[C@H](NS(=O)(=O)N[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1)C(O)=O","InChI=1S/C24H36N4O5S/c25-9-5-4-8-20(23(30)31)27-34(32,33)28-21(19-6-2-1-3-7-19)22(29)26-24-13-16-10-17(14-24)12-18(11-16)15-24/h1-3,6-7,16-18,20-21,27-28H,4-5,8-15,25H2,(H,26,29)(H,30,31)/t16?,17?,18?,20-,21-,24?/m0/s1","GCICTGIAMWBFOG-BOSZTNLGSA-N",null,">30000"]
[1883,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197551","NCCCC[C@H](NS(=O)(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O","InChI=1S/C18H32N4O5S/c19-4-2-1-3-15(17(24)25)22-28(26,27)20-11-16(23)21-18-8-12-5-13(9-18)7-14(6-12)10-18/h12-15,20,22H,1-11,19H2,(H,21,23)(H,24,25)/t12?,13?,14?,15-,18?/m0/s1","HTKDZHKDQXOVDZ-URZJAHPPSA-N",null,">30000"]
[1884,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197568","CC(=O)NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C)C(O)=O","InChI=1S/C27H48N4O6S/c1-18(32)28-15-9-8-12-21(25(34)35)30-38(36,37)31-22(16-19-10-6-5-7-11-19)24(33)29-23-17-20-13-14-27(23,4)26(20,2)3/h19-23,30-31H,5-17H2,1-4H3,(H,28,32)(H,29,33)(H,34,35)/t20-,21+,22+,23+,27+/m1/s1","KICGILUGWUOIGK-BXOWXZKISA-N",null,">30000"]
[1885,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575726","OC(=O)C(F)(F)F.NCCCC1(CCCP1(O)=O)C(O)=O","InChI=1S/C8H16NO4P.C2HF3O2/c9-5-1-3-8(7(10)11)4-2-6-14(8,12)13;3-2(4,5)1(6)7/h1-6,9H2,(H,10,11)(H,12,13);(H,6,7)","OTIVHGRHVNBQDX-UHFFFAOYSA-N",null,">30000"]
[1886,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135933","Nc1ccc(CC(C(O)=O)c2cnc[nH]2)cn1","InChI=1S/C11H12N4O2/c12-10-2-1-7(4-14-10)3-8(11(16)17)9-5-13-6-15-9/h1-2,4-6,8H,3H2,(H2,12,14)(H,13,15)(H,16,17)","IFHWJTOFROTZBD-UHFFFAOYSA-N",null,31000]
[1887,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197530","CN(C)CCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C)C(O)=O","InChI=1S/C27H50N4O5S/c1-26(2)20-14-15-27(26,3)23(18-20)28-24(32)22(17-19-11-7-6-8-12-19)30-37(35,36)29-21(25(33)34)13-9-10-16-31(4)5/h19-23,29-30H,6-18H2,1-5H3,(H,28,32)(H,33,34)/t20-,21+,22+,23+,27+/m1/s1","DCLUNENWFFCBQD-BXOWXZKISA-N",null,44000]
[1888,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197532","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C1CCCCC1","InChI=1S/C24H44N4O5S/c1-23(2)17-12-13-24(23,3)19(15-17)26-21(29)20(16-9-5-4-6-10-16)28-34(32,33)27-18(22(30)31)11-7-8-14-25/h16-20,27-28H,4-15,25H2,1-3H3,(H,26,29)(H,30,31)/t17-,18+,19+,20+,24+/m1/s1","GIPPBCDUHJCGNM-LJTNYMJHSA-N",null,47000]
[1889,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144338","CN(C)CCCCC(C(O)=O)c1cnc[nH]1","InChI=1S/C11H19N3O2/c1-14(2)6-4-3-5-9(11(15)16)10-7-12-8-13-10/h7-9H,3-6H2,1-2H3,(H,12,13)(H,15,16)","ZEASILFPEFTDJS-UHFFFAOYSA-N",null,">50000"]
[1890,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089782","CC12CCC(C(C1)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](Cc1ccc(N)nc1)C#N)C2(C)C","InChI=1S/C28H42N6O2/c1-27(2)21-11-12-28(27,3)15-23(21)33-25(35)22(14-18-7-5-4-6-8-18)34-26(36)32-20(16-29)13-19-9-10-24(30)31-17-19/h9-10,17-18,20-23H,4-8,11-15H2,1-3H3,(H2,30,31)(H,33,35)(H2,32,34,36)/t20-,21?,22+,23?,28?/m0/s1","UWOKLNWAZGUKFI-WTYYAFBXSA-N",null,54000]
[1891,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089693","NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)N1CCCC1)C(O)=O","InChI=1S/C20H36N4O4/c21-11-5-4-10-16(19(26)27)22-20(28)23-17(14-15-8-2-1-3-9-15)18(25)24-12-6-7-13-24/h15-17H,1-14,21H2,(H,26,27)(H2,22,23,28)/t16-,17+/m0/s1","GJAAVXDJHXJNFO-DLBZAZTESA-N",null,59000]
[1892,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144326","Nc1ncc(CC(C(O)=O)c2cnc[nH]2)cn1","InChI=1S/C10H11N5O2/c11-10-13-2-6(3-14-10)1-7(9(16)17)8-4-12-5-15-8/h2-5,7H,1H2,(H,12,15)(H,16,17)(H2,11,13,14)","NJGUDXAPBJKTEW-UHFFFAOYSA-N",null,67000]
[1893,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197571","NCCCC[C@H](NS(=O)(=O)N[C@H](CC1CCCCC1)C(=O)NC1CC2CCC1C2)C(O)=O","InChI=1S/C22H40N4O5S/c23-11-5-4-8-18(22(28)29)25-32(30,31)26-20(13-15-6-2-1-3-7-15)21(27)24-19-14-16-9-10-17(19)12-16/h15-20,25-26H,1-14,23H2,(H,24,27)(H,28,29)/t16?,17?,18-,19?,20+/m0/s1","PZCYVEWXVUJWOV-AXGZHYKBSA-N",null,75000]
[1894,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50100009","OC(=O)C(Cc1ccccc1)c1cnc[nH]1","InChI=1S/C12H12N2O2/c15-12(16)10(11-7-13-8-14-11)6-9-4-2-1-3-5-9/h1-5,7-8,10H,6H2,(H,13,14)(H,15,16)","SDEFAJDBJOMGJE-UHFFFAOYSA-N",null,">100000"]
[1895,"6zox_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008277","CCc1cnc2CC(CCCN)(CCn12)C(O)=O","InChI=1S/C13H21N3O2/c1-2-10-9-15-11-8-13(12(17)18,4-3-6-14)5-7-16(10)11/h9H,2-8,14H2,1H3,(H,17,18)","LZWVQAPNCQXHEO-UHFFFAOYSA-N",null,">100000"]
[1896,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575780","Cn1cncc1-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O","InChI=1S/C20H28FN4O4P/c1-24-14-23-11-18(24)17-10-16(21)5-4-15(17)12-25-8-9-30(28,29)20(13-25,19(26)27)6-2-3-7-22/h4-5,10-11,14H,2-3,6-9,12-13,22H2,1H3,(H,26,27)(H,28,29)/t20-/m0/s1","ZBWZIBATIOSFOY-FQEVSTJZSA-N",0.75]
[1897,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305346","NCCO[C@@H](Cc1cn(cn1)-c1ccccc1)C(O)=O","InChI=1S/C14H17N3O3/c15-6-7-20-13(14(18)19)8-11-9-17(10-16-11)12-4-2-1-3-5-12/h1-5,9-10,13H,6-8,15H2,(H,18,19)/t13-/m0/s1","LVCATUGNENEDGZ-ZDUSSCGKSA-N",3.5]
[1898,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201438","NC(N)=NCCCC(CS)C(O)=O","InChI=1S/C7H15N3O2S/c8-7(9)10-3-1-2-5(4-13)6(11)12/h5,13H,1-4H2,(H,11,12)(H4,8,9,10)","JOVIPJZDTSYNNW-UHFFFAOYSA-N",4]
[1899,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305347","CC(C)(C)c1ccc(cc1)-n1cnc(C[C@H](OCCN)C(O)=O)c1","InChI=1S/C18H25N3O3/c1-18(2,3)13-4-6-15(7-5-13)21-11-14(20-12-21)10-16(17(22)23)24-9-8-19/h4-7,11-12,16H,8-10,19H2,1-3H3,(H,22,23)/t16-/m0/s1","JVLMBIHTJZKJHM-INIZCTEOSA-N",5.7]
[1900,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305351","C[C@H](CN)O[C@@H](Cc1cn(cn1)-c1ccccn1)C(O)=O","InChI=1S/C14H18N4O3/c1-10(7-15)21-12(14(19)20)6-11-8-18(9-17-11)13-4-2-3-5-16-13/h2-5,8-10,12H,6-7,15H2,1H3,(H,19,20)/t10-,12+/m1/s1","QOJWERXDJOWTNM-PWSUYJOCSA-N",5.8]
[1901,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305345","CCCn1cnc(C[C@H](OCCN)C(O)=O)c1","InChI=1S/C11H19N3O3/c1-2-4-14-7-9(13-8-14)6-10(11(15)16)17-5-3-12/h7-8,10H,2-6,12H2,1H3,(H,15,16)/t10-/m0/s1","JAMWMFGAEKLEEJ-JTQLQIEISA-N",6.7]
[1902,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305352","C[C@H](CN)O[C@@H](Cc1cn(cn1)-c1ccccc1)C(O)=O","InChI=1S/C15H19N3O3/c1-11(8-16)21-14(15(19)20)7-12-9-18(10-17-12)13-5-3-2-4-6-13/h2-6,9-11,14H,7-8,16H2,1H3,(H,19,20)/t11-,14+/m1/s1","MAWYISWEMHTKMO-RISCZKNCSA-N",7.5]
[1903,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305348","NCCO[C@@H](Cc1cn(CCC2CCCCC2)cn1)C(O)=O","InChI=1S/C16H27N3O3/c17-7-9-22-15(16(20)21)10-14-11-19(12-18-14)8-6-13-4-2-1-3-5-13/h11-13,15H,1-10,17H2,(H,20,21)/t15-/m0/s1","VAABNDTVXFVLFU-HNNXBMFYSA-N",8.2]
[1904,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226610","CCCn1cnc(C[C@H](CCCN)C(O)=O)c1","InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s1","OTDGPKRCQXSTPV-JTQLQIEISA-N",10]
[1905,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305349","CCCCn1cnc(CC(OCCN)C(O)=O)c1","InChI=1S/C12H21N3O3/c1-2-3-5-15-8-10(14-9-15)7-11(12(16)17)18-6-4-13/h8-9,11H,2-7,13H2,1H3,(H,16,17)","OKKIGEKMWNYVMZ-UHFFFAOYSA-N",15]
[1906,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226610","CCCn1cnc(C[C@H](CCCN)C(O)=O)c1","InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s1","OTDGPKRCQXSTPV-JTQLQIEISA-N",16]
[1907,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226605","CCCn1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)","OTDGPKRCQXSTPV-UHFFFAOYSA-N",46]
[1908,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305350","Cc1ccccc1-n1cnc(CC(OCCN)C(O)=O)c1","InChI=1S/C15H19N3O3/c1-11-4-2-3-5-13(11)18-9-12(17-10-18)8-14(15(19)20)21-7-6-16/h2-5,9-10,14H,6-8,16H2,1H3,(H,19,20)","WUAXKGSLSYPFBN-UHFFFAOYSA-N",65]
[1909,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226598","CCCCn1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C12H22N4O2/c1-2-3-6-16-8-10(15-9-16)7-11(12(17)18)14-5-4-13/h8-9,11,14H,2-7,13H2,1H3,(H,17,18)/t11-/m0/s1","LLJMTPSWZYCMHR-NSHDSACASA-N",70]
[1910,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226606","CCCn1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C11H20N4O2/c1-2-5-15-7-9(14-8-15)6-10(11(16)17)13-4-3-12/h7-8,10,13H,2-6,12H2,1H3,(H,16,17)/t10-/m0/s1","UVTMXVBQOPVNHA-JTQLQIEISA-N",84]
[1911,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226597","CC(C)Cn1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C12H22N4O2/c1-9(2)6-16-7-10(15-8-16)5-11(12(17)18)14-4-3-13/h7-9,11,14H,3-6,13H2,1-2H3,(H,17,18)/t11-/m0/s1","MLBDFQDXKAYTON-NSHDSACASA-N",100]
[1912,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226611","NCCN[C@@H](Cc1cn(CCCO)cn1)C(O)=O","InChI=1S/C11H20N4O3/c12-2-3-13-10(11(17)18)6-9-7-15(8-14-9)4-1-5-16/h7-8,10,13,16H,1-6,12H2,(H,17,18)/t10-/m0/s1","RCYDGVHMVIQVSF-JTQLQIEISA-N",111]
[1913,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226614","NCCN[C@@H](Cc1cn(CC2CCC2)cn1)C(O)=O","InChI=1S/C13H22N4O2/c14-4-5-15-12(13(18)19)6-11-8-17(9-16-11)7-10-2-1-3-10/h8-10,12,15H,1-7,14H2,(H,18,19)/t12-/m0/s1","BYGNYBXYEDTEJQ-LBPRGKRZSA-N",124]
[1914,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226613","NCCN[C@@H](Cc1cn(CCc2ccccc2)cn1)C(O)=O","InChI=1S/C16H22N4O2/c17-7-8-18-15(16(21)22)10-14-11-20(12-19-14)9-6-13-4-2-1-3-5-13/h1-5,11-12,15,18H,6-10,17H2,(H,21,22)/t15-/m0/s1","KIBISFXBVFKORC-HNNXBMFYSA-N",140]
[1915,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226607","NCCCC(Cc1cnc[nH]1)C(O)=O","InChI=1S/C9H15N3O2/c10-3-1-2-7(9(13)14)4-8-5-11-6-12-8/h5-7H,1-4,10H2,(H,11,12)(H,13,14)","BJQWDKXNACRDDN-UHFFFAOYSA-N",140]
[1916,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226606","CCCn1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C11H20N4O2/c1-2-5-15-7-9(14-8-15)6-10(11(16)17)13-4-3-12/h7-8,10,13H,2-6,12H2,1H3,(H,16,17)/t10-/m0/s1","UVTMXVBQOPVNHA-JTQLQIEISA-N",150]
[1917,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226602","CCCCCn1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C13H24N4O2/c1-2-3-4-7-17-9-11(16-10-17)8-12(13(18)19)15-6-5-14/h9-10,12,15H,2-8,14H2,1H3,(H,18,19)/t12-/m0/s1","IIHFQOHRJWWSRA-LBPRGKRZSA-N",160]
[1918,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226601","Cn1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C9H16N4O2/c1-13-5-7(12-6-13)4-8(9(14)15)11-3-2-10/h5-6,8,11H,2-4,10H2,1H3,(H,14,15)/t8-/m0/s1","ZIGWTNNVVANKME-QMMMGPOBSA-N",235]
[1919,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226599","CCn1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C10H18N4O2/c1-2-14-6-8(13-7-14)5-9(10(15)16)12-4-3-11/h6-7,9,12H,2-5,11H2,1H3,(H,15,16)/t9-/m0/s1","RVUXHJZTETWWDB-VIFPVBQESA-N",250]
[1920,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226608","NCCN[C@@H](Cc1cn(Cc2ccccc2)cn1)C(O)=O","InChI=1S/C15H20N4O2/c16-6-7-17-14(15(20)21)8-13-10-19(11-18-13)9-12-4-2-1-3-5-12/h1-5,10-11,14,17H,6-9,16H2,(H,20,21)/t14-/m0/s1","RZHAWQYSDSVTHN-AWEZNQCLSA-N",269]
[1921,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226603","NCCCC(CS)C(O)=O","InChI=1S/C6H13NO2S/c7-3-1-2-5(4-10)6(8)9/h5,10H,1-4,7H2,(H,8,9)","IKYCTNVIQZAWIB-UHFFFAOYSA-N",300]
[1922,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226600","NCCN[C@@H](Cc1cnc[nH]1)C(O)=O","InChI=1S/C8H14N4O2/c9-1-2-11-7(8(13)14)3-6-4-10-5-12-6/h4-5,7,11H,1-3,9H2,(H,10,12)(H,13,14)/t7-/m0/s1","HRGIXOAUBWGTCB-ZETCQYMHSA-N",344]
[1923,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305353","CCCn1cnc(CC(OCCNC)C(O)=O)c1","InChI=1S/C12H21N3O3/c1-3-5-15-8-10(14-9-15)7-11(12(16)17)18-6-4-13-2/h8-9,11,13H,3-7H2,1-2H3,(H,16,17)","ZVHHWSNDCRFPAT-UHFFFAOYSA-N",407]
[1924,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226609","CC(C)n1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C11H20N4O2/c1-8(2)15-6-9(14-7-15)5-10(11(16)17)13-4-3-12/h6-8,10,13H,3-5,12H2,1-2H3,(H,16,17)/t10-/m0/s1","DSCXKBLEKKGFNS-JTQLQIEISA-N",430]
[1925,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226604","CCCn1cnc(C[C@@H](CCCN)C(O)=O)c1","InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m1/s1","OTDGPKRCQXSTPV-SNVBAGLBSA-N",">700"]
[1926,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305354","CCCn1cnc(C[C@@H](OCCN)C(O)=O)c1","InChI=1S/C11H19N3O3/c1-2-4-14-7-9(13-8-14)6-10(11(15)16)17-5-3-12/h7-8,10H,2-6,12H2,1H3,(H,15,16)/t10-/m1/s1","JAMWMFGAEKLEEJ-SNVBAGLBSA-N",">1000"]
[1927,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81910","CC(NC(=S)N(Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O)c1ccccc1","InChI=1S/C25H25N3OS2/c1-17-10-11-23-20(13-17)14-21(24(29)27-23)15-28(16-22-9-6-12-31-22)25(30)26-18(2)19-7-4-3-5-8-19/h3-14,18H,15-16H2,1-2H3,(H,26,30)(H,27,29)","JRVSRQFBILPVCS-UHFFFAOYSA-N",1600]
[1928,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81906","Cc1ccc(cc1)C(=O)CSc1nnc(COc2ccc3ccccc3c2)o1","InChI=1S/C22H18N2O3S/c1-15-6-8-17(9-7-15)20(25)14-28-22-24-23-21(27-22)13-26-19-11-10-16-4-2-3-5-18(16)12-19/h2-12H,13-14H2,1H3","CTYSPWAJMNQYOQ-UHFFFAOYSA-N",1900]
[1929,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81905","Cc1cc(C)cc(c1)-c1nnc(SCC(=O)N2CCCc3ccccc23)o1","InChI=1S/C21H21N3O2S/c1-14-10-15(2)12-17(11-14)20-22-23-21(26-20)27-13-19(25)24-9-5-7-16-6-3-4-8-18(16)24/h3-4,6,8,10-12H,5,7,9,13H2,1-2H3","SVVCCBBUWWVOLZ-UHFFFAOYSA-N",7400]
[1930,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81908","OC(=O)CCSc1nnc(COc2cccc3ccccc23)n1-c1ccccc1","InChI=1S/C22H19N3O3S/c26-21(27)13-14-29-22-24-23-20(25(22)17-9-2-1-3-10-17)15-28-19-12-6-8-16-7-4-5-11-18(16)19/h1-12H,13-15H2,(H,26,27)","ONEYQUFCKREJEN-UHFFFAOYSA-N",11800]
[1931,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81911","COC(=O)c1ccccc1NC(=S)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O","InChI=1S/C25H23N3O4S/c1-16-7-5-8-17-13-18(23(29)27-22(16)17)14-28(15-19-9-6-12-32-19)25(33)26-21-11-4-3-10-20(21)24(30)31-2/h3-13H,14-15H2,1-2H3,(H,26,33)(H,27,29)","FMEZNJBXBHDEHR-UHFFFAOYSA-N",13300]
[1932,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81909","Fc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1","InChI=1S/C22H18FN3O3S/c23-17-10-12-18(13-11-17)30(28,29)26(14-16-6-2-1-3-7-16)15-21-24-20-9-5-4-8-19(20)22(27)25-21/h1-13H,14-15H2,(H,24,25,27)","SJKIDORXXVJOAY-UHFFFAOYSA-N",14300]
[1933,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226612","NCCN[C@H](Cc1cnc[nH]1)C(O)=O","InChI=1S/C8H14N4O2/c9-1-2-11-7(8(13)14)3-6-4-10-5-12-6/h4-5,7,11H,1-3,9H2,(H,10,12)(H,13,14)/t7-/m1/s1","HRGIXOAUBWGTCB-SSDOTTSWSA-N",17000]
[1934,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81907","COc1ccc2[nH]c(=O)c(CN(CCO)C(=S)Nc3ccc(C)cc3)cc2c1","InChI=1S/C21H23N3O3S/c1-14-3-5-17(6-4-14)22-21(28)24(9-10-25)13-16-11-15-12-18(27-2)7-8-19(15)23-20(16)26/h3-8,11-12,25H,9-10,13H2,1-2H3,(H,22,28)(H,23,26)","AXRMMQKZPNXSNV-UHFFFAOYSA-N",22500]
[1935,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81904","O=C(Cn1nnc(n1)-c1cccs1)N1CCc2ccccc2C1","InChI=1S/C16H15N5OS/c22-15(20-8-7-12-4-1-2-5-13(12)10-20)11-21-18-16(17-19-21)14-6-3-9-23-14/h1-6,9H,7-8,10-11H2","TWSRTYYHXLBOCX-UHFFFAOYSA-N",32000]
[1936,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM47512","Cc1ccc(cc1)C(=O)CSc1nnc(COc2cccc3cccnc23)o1","InChI=1S/C21H17N3O3S/c1-14-7-9-15(10-8-14)17(25)13-28-21-24-23-19(27-21)12-26-18-6-2-4-16-5-3-11-22-20(16)18/h2-11H,12-13H2,1H3","BLNVPVBRBVPWPF-UHFFFAOYSA-N",50000]
[1937,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81903","NC(Cc1ccc2ccnc(N)c2c1)C(O)=O","InChI=1S/C12H13N3O2/c13-10(12(16)17)6-7-1-2-8-3-4-15-11(14)9(8)5-7/h1-5,10H,6,13H2,(H2,14,15)(H,16,17)","IFFBNDWTLOCJIQ-UHFFFAOYSA-N",145000]
[1938,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81902","NC(Cc1ccc2c(N)nccc2c1)C(O)=O","InChI=1S/C12H13N3O2/c13-10(12(16)17)6-7-1-2-9-8(5-7)3-4-15-11(9)14/h1-5,10H,6,13H2,(H2,14,15)(H,16,17)","VYOXWSYCVMFVEP-UHFFFAOYSA-N",220000]
[1939,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575776","Cc1ccc(cc1)-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O","InChI=1S/C23H30FN2O4P/c1-17-4-6-18(7-5-17)21-14-20(24)9-8-19(21)15-26-12-13-31(29,30)23(16-26,22(27)28)10-2-3-11-25/h4-9,14H,2-3,10-13,15-16,25H2,1H3,(H,27,28)(H,29,30)/t23-/m0/s1","FZBBTYWRMKWFCQ-QHCPKHFHSA-N",null,1]
[1940,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089758","CC12CCC(C(C1)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](Cc1ccc(N)nc1)C(O)=O)C2(C)C","InChI=1S/C28H43N5O4/c1-27(2)19-11-12-28(27,3)15-22(19)31-24(34)20(13-17-7-5-4-6-8-17)32-26(37)33-21(25(35)36)14-18-9-10-23(29)30-16-18/h9-10,16-17,19-22H,4-8,11-15H2,1-3H3,(H2,29,30)(H,31,34)(H,35,36)(H2,32,33,37)/t19?,20-,21+,22?,28?/m1/s1","IHZPIKIYQNIWSX-XVCFFUJGSA-N",null,1]
[1941,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144342","CC(C)(C)CCn1cnc(c1)C(C[C@H]1CC[C@H](N)C1)C(O)=O","InChI=1S/C17H29N3O2/c1-17(2,3)6-7-20-10-15(19-11-20)14(16(21)22)9-12-4-5-13(18)8-12/h10-14H,4-9,18H2,1-3H3,(H,21,22)/t12-,13-,14?/m0/s1","LDXGTVIJFDTJIE-RFHHWMCGSA-N",null,1]
[1942,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395735","CCC(=O)[Se]CC(CCCCCN)C(O)=O","InChI=1S/C11H21NO3Se/c1-2-10(13)16-8-9(11(14)15)6-4-3-5-7-12/h9H,2-8,12H2,1H3,(H,14,15)","BLOWBFVUAGFPRC-UHFFFAOYSA-N",null,1.1]
[1943,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50275212","CCC(=O)[Se]CC(Cc1cnc(N)c(Cl)c1)C(O)=O","InChI=1S/C12H15ClN2O3Se/c1-2-10(16)19-6-8(12(17)18)3-7-4-9(13)11(14)15-5-7/h4-5,8H,2-3,6H2,1H3,(H2,14,15)(H,17,18)","DMSZKGIZIIXNLW-UHFFFAOYSA-N",null,1.5]
[1944,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089688","CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](CCCNC(N)=N)C(O)=O","InChI=1S/C41H60N10O9/c1-24(2)33-37(56)46-30(20-17-26-15-18-28(52)19-16-26)38(57)51(4)25(3)34(53)47-32(23-27-11-6-5-7-12-27)35(54)44-21-9-8-13-29(36(55)50-33)48-41(60)49-31(39(58)59)14-10-22-45-40(42)43/h5-7,11-12,15-16,18-19,24-25,29-33,52H,8-10,13-14,17,20-23H2,1-4H3,(H,44,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H4,42,43,45)(H2,48,49,60)/t25-,29+,30-,31-,32-,33-/m0/s1","ZDOVFDLIJJGVQM-APNXPRSCSA-N",null,1.5]
[1945,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089687","CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](CCCNC(N)=N)C(O)=O","InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26-,30+,31-,32-,33-,34-/m0/s1","RAUPUVQHUFXDQT-IYLLGVDMSA-N",null,1.5]
[1946,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395731","CCOC(=O)C(C[Se]C(=O)CC)Cc1ccc(N)nc1","InChI=1S/C14H20N2O3Se/c1-3-13(17)20-9-11(14(18)19-4-2)7-10-5-6-12(15)16-8-10/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,15,16)","UHQFZYXCXBJDLU-UHFFFAOYSA-N",null,1.8]
[1947,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089686","CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C41H60N8O9/c1-25(2)34-38(54)44-31(21-18-27-16-19-29(50)20-17-27)39(55)49(4)26(3)35(51)45-33(24-28-12-6-5-7-13-28)36(52)43-23-11-9-14-30(37(53)48-34)46-41(58)47-32(40(56)57)15-8-10-22-42/h5-7,12-13,16-17,19-20,25-26,30-34,50H,8-11,14-15,18,21-24,42H2,1-4H3,(H,43,52)(H,44,54)(H,45,51)(H,48,53)(H,56,57)(H2,46,47,58)/t26-,30+,31-,32-,33-,34-/m0/s1","VNOIUJQJSYNRHB-NCUXDPMLSA-N",null,1.9]
[1948,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395737","NCCCCCC(C[Se][Se]CC(CCCCCN)C(O)=O)C(O)=O","InChI=1S/C16H32N2O4Se2/c17-9-5-1-3-7-13(15(19)20)11-23-24-12-14(16(21)22)8-4-2-6-10-18/h13-14H,1-12,17-18H2,(H,19,20)(H,21,22)","RUZIZPNQGMERCW-UHFFFAOYSA-N",null,2]
[1949,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144337","CC(C)CCCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O","InChI=1S/C17H24N4O2/c1-12(2)4-3-7-21-10-15(20-11-21)14(17(22)23)8-13-5-6-16(18)19-9-13/h5-6,9-12,14H,3-4,7-8H2,1-2H3,(H2,18,19)(H,22,23)","UFHFBHSKTSVCMN-UHFFFAOYSA-N",null,2]
[1950,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395732","Nc1ccc(CC(C[Se][Se]CC(Cc2ccc(N)nc2)C(O)=O)C(O)=O)cn1","InChI=1S/C18H22N4O4Se2/c19-15-3-1-11(7-21-15)5-13(17(23)24)9-27-28-10-14(18(25)26)6-12-2-4-16(20)22-8-12/h1-4,7-8,13-14H,5-6,9-10H2,(H2,19,21)(H2,20,22)(H,23,24)(H,25,26)","MYECLQPAUDYVIW-UHFFFAOYSA-N",null,2]
[1951,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575768","NCCCCC1(CN(Cc2ccccc2-c2cccnc2)CCP1(O)=O)C(O)=O","InChI=1S/C21H28N3O4P/c22-10-4-3-9-21(20(25)26)16-24(12-13-29(21,27)28)15-18-6-1-2-8-19(18)17-7-5-11-23-14-17/h1-2,5-8,11,14H,3-4,9-10,12-13,15-16,22H2,(H,25,26)(H,27,28)","ZARDBEAQXXDVBK-UHFFFAOYSA-N",null,2]
[1952,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395732","Nc1ccc(CC(C[Se][Se]CC(Cc2ccc(N)nc2)C(O)=O)C(O)=O)cn1","InChI=1S/C18H22N4O4Se2/c19-15-3-1-11(7-21-15)5-13(17(23)24)9-27-28-10-14(18(25)26)6-12-2-4-16(20)22-8-12/h1-4,7-8,13-14H,5-6,9-10H2,(H2,19,21)(H2,20,22)(H,23,24)(H,25,26)","MYECLQPAUDYVIW-UHFFFAOYSA-N",null,2.2]
[1953,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395730","Nc1ncc(CC(C[Se][Se]CC(Cc2cnc(N)c(Cl)c2)C(O)=O)C(O)=O)cc1Cl","InChI=1S/C18H20Cl2N4O4Se2/c19-13-3-9(5-23-15(13)21)1-11(17(25)26)7-29-30-8-12(18(27)28)2-10-4-14(20)16(22)24-6-10/h3-6,11-12H,1-2,7-8H2,(H2,21,23)(H2,22,24)(H,25,26)(H,27,28)","LKLRNWHRLUKWFJ-UHFFFAOYSA-N",null,2.5]
[1954,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109264","C[C@H]1CC[C@@H](CC1)n1cnc(C[C@H](CCCN)C(O)=O)c1","InChI=1S/C16H27N3O2/c1-12-4-6-15(7-5-12)19-10-14(18-11-19)9-13(16(20)21)3-2-8-17/h10-13,15H,2-9,17H2,1H3,(H,20,21)/t12-,13-,15-/m0/s1","AEHFUSPLVGWEEP-YDHLFZDLSA-N",null,2.6]
[1955,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135934","CC(C)CCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O","InChI=1S/C16H22N4O2/c1-11(2)5-6-20-9-14(19-10-20)13(16(21)22)7-12-3-4-15(17)18-8-12/h3-4,8-11,13H,5-7H2,1-2H3,(H2,17,18)(H,21,22)","FUZLEHIZFGSVSF-UHFFFAOYSA-N",null,2.7]
[1956,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089691","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C26H46N4O4/c1-25(2)18-12-13-26(25,3)16-21(18)28-22(31)20(15-17-9-5-4-6-10-17)30-24(34)29-19(23(32)33)11-7-8-14-27/h17-21H,4-16,27H2,1-3H3,(H,28,31)(H,32,33)(H2,29,30,34)/t18?,19-,20+,21?,26?/m0/s1","MARJTHQRTDYWGB-HPIYHLJDSA-N",null,3]
[1957,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197573","CC1(C)C2CCC1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C26H46N4O4/c1-25(2)18-12-13-26(25,3)21(16-18)30-22(31)20(15-17-9-5-4-6-10-17)29-24(34)28-19(23(32)33)11-7-8-14-27/h17-21H,4-16,27H2,1-3H3,(H,30,31)(H,32,33)(H2,28,29,34)/t18?,19-,20-,21-,26?/m0/s1","AUFLFYNRNWZZKB-SONHOIRQSA-N",null,3]
[1958,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395736","CCOC(=O)C(CCCCCN)C[Se]C(=O)CC","InChI=1S/C13H25NO3Se/c1-3-12(15)18-10-11(13(16)17-4-2)8-6-5-7-9-14/h11H,3-10,14H2,1-2H3","BOAPBPBQRLRKGC-UHFFFAOYSA-N",null,3]
[1959,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395740","CCOC(=O)C(CCCCCN)CSC(C)=O","InChI=1S/C12H23NO3S/c1-3-16-12(15)11(9-17-10(2)14)7-5-4-6-8-13/h11H,3-9,13H2,1-2H3","FHCMTCNRCACFAB-UHFFFAOYSA-N",null,3.1]
[1960,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395741","NCCCCCC(CS)C(O)=O","InChI=1S/C8H17NO2S/c9-5-3-1-2-4-7(6-12)8(10)11/h7,12H,1-6,9H2,(H,10,11)","OWVFNXQLXNWAHW-UHFFFAOYSA-N",null,3.4]
[1961,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50275212","CCC(=O)[Se]CC(Cc1cnc(N)c(Cl)c1)C(O)=O","InChI=1S/C12H15ClN2O3Se/c1-2-10(16)19-6-8(12(17)18)3-7-4-9(13)11(14)15-5-7/h4-5,8H,2-3,6H2,1H3,(H2,14,15)(H,17,18)","DMSZKGIZIIXNLW-UHFFFAOYSA-N",null,3.7]
[1962,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395737","NCCCCCC(C[Se][Se]CC(CCCCCN)C(O)=O)C(O)=O","InChI=1S/C16H32N2O4Se2/c17-9-5-1-3-7-13(15(19)20)11-23-24-12-14(16(21)22)8-4-2-6-10-18/h13-14H,1-12,17-18H2,(H,19,20)(H,21,22)","RUZIZPNQGMERCW-UHFFFAOYSA-N",null,">3.8"]
[1963,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395729","CCOC(=O)C(C[Se]C(=O)CC)Cc1cnc(N)c(Cl)c1","InChI=1S/C14H19ClN2O3Se/c1-3-12(18)21-8-10(14(19)20-4-2)5-9-6-11(15)13(16)17-7-9/h6-7,10H,3-5,8H2,1-2H3,(H2,16,17)","KUNRSCIAQGRNQR-UHFFFAOYSA-N",null,">3.8"]
[1964,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089756","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCNC(N)=N)C(O)=O","InChI=1S/C26H46N6O4/c1-25(2)17-11-12-26(25,3)15-20(17)30-21(33)19(14-16-8-5-4-6-9-16)32-24(36)31-18(22(34)35)10-7-13-29-23(27)28/h16-20H,4-15H2,1-3H3,(H,30,33)(H,34,35)(H4,27,28,29)(H2,31,32,36)/t17?,18-,19+,20?,26?/m0/s1","FRONFJPZPPGYAX-WKCFZQPLSA-N",null,4]
[1965,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201427","NC(N)=Nc1cccc(c1)C(CS)C(O)=O","InChI=1S/C10H13N3O2S/c11-10(12)13-7-3-1-2-6(4-7)8(5-16)9(14)15/h1-4,8,16H,5H2,(H,14,15)(H4,11,12,13)","YHBCRXAIIVZWEW-UHFFFAOYSA-N",null,4]
[1966,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089751","CC1(C)C2CCC1(C)CC2NC(=O)C(CC1CCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C25H44N4O4/c1-24(2)17-11-12-25(24,3)15-20(17)27-21(30)19(14-16-8-4-5-9-16)29-23(33)28-18(22(31)32)10-6-7-13-26/h16-20H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)(H2,28,29,33)/t17?,18-,19?,20?,25?/m0/s1","AFDQLRFIAXCERE-UQGFRLLMSA-N",null,4]
[1967,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089755","CC12CCC(C(C1)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CSCCN)C(O)=O)C2(C)C","InChI=1S/C25H44N4O4S/c1-24(2)17-9-10-25(24,3)14-19(17)27-21(30)18(13-16-7-5-4-6-8-16)28-23(33)29-20(22(31)32)15-34-12-11-26/h16-20H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)(H2,28,29,33)/t17?,18-,19?,20+,25?/m1/s1","LVFHNJLSTSKIOI-IFVPPNBGSA-N",null,4]
[1968,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395734","NCCCCCC(C[Se]C(=O)CCCc1ccccc1)C(O)=O","InChI=1S/C18H27NO3Se/c19-13-6-2-5-11-16(18(21)22)14-23-17(20)12-7-10-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14,19H2,(H,21,22)","KMMJFXKNWGNVOX-UHFFFAOYSA-N",null,4.1]
[1969,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326336","CC(C)(C)CCn1cnc(c1)[C@]1(C[C@@H]1CCCN)C(O)=O","InChI=1S/C16H27N3O2/c1-15(2,3)6-8-19-10-13(18-11-19)16(14(20)21)9-12(16)5-4-7-17/h10-12H,4-9,17H2,1-3H3,(H,20,21)/t12-,16+/m0/s1","OATNNVUVQQXLHN-BLLLJJGKSA-N",null,4.5]
[1970,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575770","COc1ccc(cn1)-c1ccccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O","InChI=1S/C22H30N3O5P/c1-30-20-9-8-17(14-24-20)19-7-3-2-6-18(19)15-25-12-13-31(28,29)22(16-25,21(26)27)10-4-5-11-23/h2-3,6-9,14H,4-5,10-13,15-16,23H2,1H3,(H,26,27)(H,28,29)/t22-/m0/s1","AVHRAGMQIMFUSI-QFIPXVFZSA-N",null,5]
[1971,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575775","NCCCC[C@]1(CN(Cc2ccc(F)cc2-c2cncnc2)CCP1(O)=O)C(O)=O","InChI=1S/C20H26FN4O4P/c21-17-4-3-15(18(9-17)16-10-23-14-24-11-16)12-25-7-8-30(28,29)20(13-25,19(26)27)5-1-2-6-22/h3-4,9-11,14H,1-2,5-8,12-13,22H2,(H,26,27)(H,28,29)/t20-/m0/s1","OMPACBMICGZNQY-FQEVSTJZSA-N",null,5]
[1972,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135934","CC(C)CCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O","InChI=1S/C16H22N4O2/c1-11(2)5-6-20-9-14(19-10-20)13(16(21)22)7-12-3-4-15(17)18-8-12/h3-4,8-11,13H,5-7H2,1-2H3,(H2,17,18)(H,21,22)","FUZLEHIZFGSVSF-UHFFFAOYSA-N",null,5]
[1973,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109265","C[C@@H](CN)C[C@@H](Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O","InChI=1S/C17H29N3O2/c1-12-3-5-16(6-4-12)20-10-15(19-11-20)8-14(17(21)22)7-13(2)9-18/h10-14,16H,3-9,18H2,1-2H3,(H,21,22)/t12-,13-,14+,16-/m1/s1","OMGSNJPCQBNRPB-HGTKMLMNSA-N",null,5.1]
[1974,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395733","NCCCCCC(C[Se]C(=O)CCc1ccccc1)C(O)=O","InChI=1S/C17H25NO3Se/c18-12-6-2-5-9-15(17(20)21)13-22-16(19)11-10-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13,18H2,(H,20,21)","JNRHODQLZKDDMA-UHFFFAOYSA-N",null,5.3]
[1975,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109258","C[C@H](CN)C[C@@H](Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O","InChI=1S/C17H29N3O2/c1-12-3-5-16(6-4-12)20-10-15(19-11-20)8-14(17(21)22)7-13(2)9-18/h10-14,16H,3-9,18H2,1-2H3,(H,21,22)/t12-,13-,14-,16-/m0/s1","OMGSNJPCQBNRPB-YXWQFLTLSA-N",null,5.4]
[1976,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395728","CC(C)[C@H](NC(=O)CCc1ccccc1)P(O)(=O)C[C@@H](CCCCCN)C(O)=O","InChI=1S/C21H35N2O5P/c1-16(2)20(23-19(24)13-12-17-9-5-3-6-10-17)29(27,28)15-18(21(25)26)11-7-4-8-14-22/h3,5-6,9-10,16,18,20H,4,7-8,11-15,22H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/t18-,20-/m1/s1","DEWOTLFUKYSXIE-UYAOXDASSA-N",null,5.5]
[1977,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173886","CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C25H40N4O6/c1-17(2)22-16-34-13-5-6-14-35-19-10-8-18(9-11-19)15-21(23(30)27-22)29-25(33)28-20(24(31)32)7-3-4-12-26/h8-11,17,20-22H,3-7,12-16,26H2,1-2H3,(H,27,30)(H,31,32)(H2,28,29,33)/t20-,21+,22+/m0/s1","LULOJIQVOUOYMX-BHDDXSALSA-N",null,6,{"$nulls":4},7.4,"25.00 C"]
[1978,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575780","Cn1cncc1-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O","InChI=1S/C20H28FN4O4P/c1-24-14-23-11-18(24)17-10-16(21)5-4-15(17)12-25-8-9-30(28,29)20(13-25,19(26)27)6-2-3-7-22/h4-5,10-11,14H,2-3,6-9,12-13,22H2,1H3,(H,26,27)(H,28,29)/t20-/m0/s1","ZBWZIBATIOSFOY-FQEVSTJZSA-N",null,6]
[1979,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135936","CCCCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O","InChI=1S/C15H20N4O2/c1-2-3-6-19-9-13(18-10-19)12(15(20)21)7-11-4-5-14(16)17-8-11/h4-5,8-10,12H,2-3,6-7H2,1H3,(H2,16,17)(H,20,21)","RCFXGCBFYOZPJW-UHFFFAOYSA-N",null,6]
[1980,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395739","CCOC(=O)C(CS)CCCCCN","InChI=1S/C10H21NO2S/c1-2-13-10(12)9(8-14)6-4-3-5-7-11/h9,14H,2-8,11H2,1H3","OCHZJRQCQXNQFN-UHFFFAOYSA-N",null,6.2]
[1981,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089691","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C26H46N4O4/c1-25(2)18-12-13-26(25,3)16-21(18)28-22(31)20(15-17-9-5-4-6-10-17)30-24(34)29-19(23(32)33)11-7-8-14-27/h17-21H,4-16,27H2,1-3H3,(H,28,31)(H,32,33)(H2,29,30,34)/t18?,19-,20+,21?,26?/m0/s1","MARJTHQRTDYWGB-HPIYHLJDSA-N",null,7]
[1982,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575769","NCCCCC1(CN(Cc2ccccc2-c2cncnc2)CCP1(O)=O)C(O)=O","InChI=1S/C20H27N4O4P/c21-8-4-3-7-20(19(25)26)14-24(9-10-29(20,27)28)13-16-5-1-2-6-18(16)17-11-22-15-23-12-17/h1-2,5-6,11-12,15H,3-4,7-10,13-14,21H2,(H,25,26)(H,27,28)","PNESMYMKIXRGDJ-UHFFFAOYSA-N",null,7]
[1983,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109254","C[C@H](CN)OC(Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O","InChI=1S/C16H27N3O3/c1-11-3-5-14(6-4-11)19-9-13(18-10-19)7-15(16(20)21)22-12(2)8-17/h9-12,14-15H,3-8,17H2,1-2H3,(H,20,21)/t11-,12-,14-,15?/m1/s1","SXFRUTCVXKOOAP-TVAMOIRASA-N",null,7]
[1984,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089749","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C23H40N4O4/c1-22(2)15-9-10-23(22,3)13-18(15)25-19(28)17(12-14-7-8-14)27-21(31)26-16(20(29)30)6-4-5-11-24/h14-18H,4-13,24H2,1-3H3,(H,25,28)(H,29,30)(H2,26,27,31)/t15?,16-,17+,18?,23?/m0/s1","PFLUEQHIMCTTNI-PPFFOOAHSA-N",null,7]
[1985,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109256","CC1(C)CCCC(C1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C17H29N3O2/c1-17(2)7-3-6-15(10-17)20-11-14(19-12-20)9-13(16(21)22)5-4-8-18/h11-13,15H,3-10,18H2,1-2H3,(H,21,22)","ILWZFIDDSWMJSL-UHFFFAOYSA-N",null,7.5]
[1986,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395735","CCC(=O)[Se]CC(CCCCCN)C(O)=O","InChI=1S/C11H21NO3Se/c1-2-10(13)16-8-9(11(14)15)6-4-3-5-7-12/h9H,2-8,12H2,1H3,(H,14,15)","BLOWBFVUAGFPRC-UHFFFAOYSA-N",null,7.6]
[1987,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173906","CC(C)[C@H]1COC\\C=C\\COc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C25H38N4O6/c1-17(2)22-16-34-13-5-6-14-35-19-10-8-18(9-11-19)15-21(23(30)27-22)29-25(33)28-20(24(31)32)7-3-4-12-26/h5-6,8-11,17,20-22H,3-4,7,12-16,26H2,1-2H3,(H,27,30)(H,31,32)(H2,28,29,33)/b6-5+/t20-,21+,22+/m0/s1","DWGPZJBQYFUONC-HVKQOZRQSA-N",null,7.7,{"$nulls":4},7.4,"25.00 C"]
[1988,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109252","C[C@H]1CC[C@@H](CC1)n1cnc(C[C@H](CCCN)C(O)=O)c1","InChI=1S/C16H27N3O2/c1-12-4-6-15(7-5-12)19-10-14(18-11-19)9-13(16(20)21)3-2-8-17/h10-13,15H,2-9,17H2,1H3,(H,20,21)/t12-,13-,15-/m0/s1","AEHFUSPLVGWEEP-YDHLFZDLSA-N",null,7.8]
[1989,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326397","CC[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C[C@]1(C(=O)OC)c1cn(cn1)-c1ccccc1","InChI=1S/C24H33N3O4/c1-6-17(14-25-22(29)31-23(2,3)4)12-18-13-24(18,21(28)30-5)20-15-27(16-26-20)19-10-8-7-9-11-19/h7-11,15-18H,6,12-14H2,1-5H3,(H,25,29)/t17-,18+,24-/m1/s1","XEAMWQOAIXEZGF-NXMSCROESA-N",null,7.9]
[1990,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575777","COc1ccc(cc1)-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O","InChI=1S/C23H30FN2O5P/c1-31-20-8-5-17(6-9-20)21-14-19(24)7-4-18(21)15-26-12-13-32(29,30)23(16-26,22(27)28)10-2-3-11-25/h4-9,14H,2-3,10-13,15-16,25H2,1H3,(H,27,28)(H,29,30)/t23-/m0/s1","FEJKEWIWGSFZML-QHCPKHFHSA-N",null,8]
[1991,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575779","COc1ccc(cc1OC)-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O","InChI=1S/C24H32FN2O6P/c1-32-21-8-6-17(13-22(21)33-2)20-14-19(25)7-5-18(20)15-27-11-12-34(30,31)24(16-27,23(28)29)9-3-4-10-26/h5-8,13-14H,3-4,9-12,15-16,26H2,1-2H3,(H,28,29)(H,30,31)/t24-/m0/s1","OMNZYBADSYJRIF-DEOSSOPVSA-N",null,8]
[1992,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008271","CCCn1cnc2C[C@@](CCCN)(CCc12)C(O)=O","InChI=1S/C14H23N3O2/c1-2-8-17-10-16-11-9-14(13(18)19,5-3-7-15)6-4-12(11)17/h10H,2-9,15H2,1H3,(H,18,19)/t14-/m1/s1","DPDWQELEXVLQSO-CQSZACIVSA-N",null,8]
[1993,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201438","NC(N)=NCCCC(CS)C(O)=O","InChI=1S/C7H15N3O2S/c8-7(9)10-3-1-2-5(4-13)6(11)12/h5,13H,1-4H2,(H,11,12)(H4,8,9,10)","JOVIPJZDTSYNNW-UHFFFAOYSA-N",null,8]
[1994,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109253","C[C@H]1CC[C@@H](CC1)n1cnc(CC(OCCN)C(O)=O)c1","InChI=1S/C15H25N3O3/c1-11-2-4-13(5-3-11)18-9-12(17-10-18)8-14(15(19)20)21-7-6-16/h9-11,13-14H,2-8,16H2,1H3,(H,19,20)/t11-,13-,14?","MYFSJRVPQSXHMT-LTXMZBCZSA-N",null,8.1]
[1995,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135939","NC(=N)CCCSCC(CS)C(O)=O","InChI=1S/C8H16N2O2S2/c9-7(10)2-1-3-14-5-6(4-13)8(11)12/h6,13H,1-5H2,(H3,9,10)(H,11,12)","NEFADNFNASLUBS-UHFFFAOYSA-N",null,8.2]
[1996,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109238","C[C@H]1CC[C@@H](CC1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C16H27N3O2/c1-12-4-6-15(7-5-12)19-10-14(18-11-19)9-13(16(20)21)3-2-8-17/h10-13,15H,2-9,17H2,1H3,(H,20,21)/t12-,13?,15-","AEHFUSPLVGWEEP-FFAOXRCVSA-N",null,8.3]
[1997,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326395","CC[C@@H](CN)CC1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C17H22N4O2/c1-2-12(9-18)7-13-8-17(13,16(22)23)14-10-21(11-20-14)15-5-3-4-6-19-15/h3-6,10-13H,2,7-9,18H2,1H3,(H,22,23)/t12-,13?,17-/m1/s1","BEUXTDNZDSFKGE-HTCLMOQTSA-N",null,8.3]
[1998,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326336","CC(C)(C)CCn1cnc(c1)[C@]1(C[C@@H]1CCCN)C(O)=O","InChI=1S/C16H27N3O2/c1-15(2,3)6-8-19-10-13(18-11-19)16(14(20)21)9-12(16)5-4-7-17/h10-12H,4-9,17H2,1-3H3,(H,20,21)/t12-,16+/m0/s1","OATNNVUVQQXLHN-BLLLJJGKSA-N",null,8.7]
[1999,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326393","C[C@@H](CN)C[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccc(C)cn1","InChI=1S/C17H22N4O2/c1-11-3-4-15(19-8-11)21-9-14(20-10-21)17(16(22)23)6-13(17)5-12(2)7-18/h3-4,8-10,12-13H,5-7,18H2,1-2H3,(H,22,23)/t12-,13+,17-/m1/s1","AAEAYCWJPQORII-IIYDPXPESA-N",null,8.7]
[2024,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109250","NCCCC(Cc1cn(cn1)[C@H]1CC[C@@H](CC1)Oc1ccccc1)C(O)=O","InChI=1S/C21H29N3O3/c22-12-4-5-16(21(25)26)13-17-14-24(15-23-17)18-8-10-20(11-9-18)27-19-6-2-1-3-7-19/h1-3,6-7,14-16,18,20H,4-5,8-13,22H2,(H,25,26)/t16?,18-,20-","ZALSOORDNKVPOI-WTXWRMNVSA-N",null,13]
[2031,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089748","CCC[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC1CC2(C)CCC1C2(C)C","InChI=1S/C22H40N4O4/c1-5-8-15(25-20(30)26-16(19(28)29)9-6-7-12-23)18(27)24-17-13-22(4)11-10-14(17)21(22,2)3/h14-17H,5-13,23H2,1-4H3,(H,24,27)(H,28,29)(H2,25,26,30)/t14?,15-,16+,17?,22?/m1/s1","DXLYYZBSYPQQBL-VFNIDKIXSA-N",null,15]
[2057,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144317","CC(C)CCn1cnc(c1)C(CCCCN)C(O)=O","InChI=1S/C14H25N3O2/c1-11(2)6-8-17-9-13(16-10-17)12(14(18)19)5-3-4-7-15/h9-12H,3-8,15H2,1-2H3,(H,18,19)","AOIWFDFLMKUPPW-UHFFFAOYSA-N",null,24]
[2063,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326356","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc2ccccc2c1","InChI=1S/C32H41N3O6/c1-8-39-27(36)32(26-20-34(21-33-26)25-16-15-22-12-9-10-13-23(22)18-25)19-24(32)14-11-17-35(28(37)40-30(2,3)4)29(38)41-31(5,6)7/h9-10,12-13,15-16,18,20-21,24H,8,11,14,17,19H2,1-7H3","OOSFUHURBBEUAN-UHFFFAOYSA-N",null,27]
[2090,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173928","CC(C)[C@H]1COCCNC(=O)c2ccc(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)cc2","InChI=1S/C26H34N6O6/c1-15(2)21-14-38-10-9-28-23(33)18-6-3-16(4-7-18)11-19(24(34)30-21)31-26(37)32-20(25(35)36)12-17-5-8-22(27)29-13-17/h3-8,13,15,19-21H,9-12,14H2,1-2H3,(H2,27,29)(H,28,33)(H,30,34)(H,35,36)(H2,31,32,37)/t19-,20+,21-/m1/s1","TXPMYHVVLIAOAI-QHAWAJNXSA-N",null,40,{"$nulls":4},7.4,"25.00 C"]
[2107,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089743","CC(C)C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC1CC2(C)CCC1C2(C)C","InChI=1S/C23H42N4O4/c1-14(2)12-17(27-21(31)26-16(20(29)30)8-6-7-11-24)19(28)25-18-13-23(5)10-9-15(18)22(23,3)4/h14-18H,6-13,24H2,1-5H3,(H,25,28)(H,29,30)(H2,26,27,31)/t15?,16-,17+,18?,23?/m0/s1","DPOMCPGADCDXDE-PPFFOOAHSA-N",null,57]
[2111,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326352","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(F)c(F)c1","InChI=1S/C27H35F2N3O6/c1-25(2,3)37-23(34)32(24(35)38-26(4,5)6)12-8-9-17-14-27(17,22(33)36-7)21-15-31(16-30-21)18-10-11-19(28)20(29)13-18/h10-11,13,15-17H,8-9,12,14H2,1-7H3","UZMGUAFNSMLASL-UHFFFAOYSA-N",null,61]
[2124,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575763","NCCCCC1(CN(Cc2ccccc2Br)CCP1(O)=O)C(O)=O","InChI=1S/C16H24BrN2O4P/c17-14-6-2-1-5-13(14)11-19-9-10-24(22,23)16(12-19,15(20)21)7-3-4-8-18/h1-2,5-6H,3-4,7-12,18H2,(H,20,21)(H,22,23)","UTNAZQAXWAOANT-UHFFFAOYSA-N",null,87]
[2143,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089753","N[C@H]1C[C@H](CC(NC(=O)N[C@H](CC2CCCCC2)C(=O)NC2CC3CCC2C3)C(O)=O)C1","InChI=1S/C24H40N4O4/c25-18-9-16(10-18)13-21(23(30)31)28-24(32)27-20(11-14-4-2-1-3-5-14)22(29)26-19-12-15-6-7-17(19)8-15/h14-21H,1-13,25H2,(H,26,29)(H,30,31)(H2,27,28,32)/t15?,16-,17?,18-,19?,20-,21?/m1/s1","NLBFGJCTTDZYBN-NCZDBTGRSA-N",null,110]
[2157,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197556","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C25H40N4O5S/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26/h4-6,9-10,18-21,28-29H,7-8,11-16,26H2,1-3H3,(H,27,30)(H,31,32)/t18-,19+,20+,21+,25+/m1/s1","CQFRJAFNJDXKLZ-PHGOAHNDSA-N",null,170]
[2174,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197533","NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)C(O)=O","InChI=1S/C22H40N4O5S/c23-11-5-4-8-18(22(28)29)25-32(30,31)26-20(13-15-6-2-1-3-7-15)21(27)24-19-14-16-9-10-17(19)12-16/h15-20,25-26H,1-14,23H2,(H,24,27)(H,28,29)/t16-,17-,18-,19+,20-/m0/s1","PZCYVEWXVUJWOV-FSGKZVOOSA-N",null,330]
[2191,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575752","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccccn2)CCP1(O)=O)C(O)=O","InChI=1S/C15H24N3O4P.C2HF3O2/c16-7-3-2-6-15(14(19)20)12-18(9-10-23(15,21)22)11-13-5-1-4-8-17-13;3-2(4,5)1(6)7/h1,4-5,8H,2-3,6-7,9-12,16H2,(H,19,20)(H,21,22);(H,6,7)","RLTFNRHVYOETOJ-UHFFFAOYSA-N",null,500]
[2207,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089738","COc1ccc(CNC(=O)[C@@H](CC2CCCCC2)NC(=O)N[C@@H](CCCCN)C(O)=O)cc1","InChI=1S/C24H38N4O5/c1-33-19-12-10-18(11-13-19)16-26-22(29)21(15-17-7-3-2-4-8-17)28-24(32)27-20(23(30)31)9-5-6-14-25/h10-13,17,20-21H,2-9,14-16,25H2,1H3,(H,26,29)(H,30,31)(H2,27,28,32)/t20-,21+/m0/s1","VEDZNKIGSSHCLR-LEWJYISDSA-N",null,900]
[2223,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197579","CC(=N)NCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C)C(O)=O","InChI=1S/C26H47N5O5S/c1-17(27)28-14-8-11-20(24(33)34)30-37(35,36)31-21(15-18-9-6-5-7-10-18)23(32)29-22-16-19-12-13-26(22,4)25(19,2)3/h18-22,30-31H,5-16H2,1-4H3,(H2,27,28)(H,29,32)(H,33,34)/t19-,20+,21+,22+,26+/m1/s1","OLGARYXRJUKFAM-RZFRIWOHSA-N",null,1500]
[2240,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395729","CCOC(=O)C(C[Se]C(=O)CC)Cc1cnc(N)c(Cl)c1","InChI=1S/C14H19ClN2O3Se/c1-3-12(18)21-8-10(14(19)20-4-2)5-9-6-11(15)13(16)17-7-9/h6-7,10H,3-5,8H2,1-2H3,(H2,16,17)","KUNRSCIAQGRNQR-UHFFFAOYSA-N",null,2600]
[2255,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201432","CC(=N)N1CCC(CC1)C(CS)C(O)=O","InChI=1S/C10H18N2O2S/c1-7(11)12-4-2-8(3-5-12)9(6-15)10(13)14/h8-9,11,15H,2-6H2,1H3,(H,13,14)","ODTIDKLOSIANQV-UHFFFAOYSA-N",null,5300]
[2273,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326364","COC(=O)[C@@]1(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccccc1","InChI=1S/C27H37N3O6/c1-25(2,3)35-23(32)30(24(33)36-26(4,5)6)15-11-12-19-16-27(19,22(31)34-7)21-17-29(18-28-21)20-13-9-8-10-14-20/h8-10,13-14,17-19H,11-12,15-16H2,1-7H3/t19-,27+/m0/s1","UJVDFWJVJPJVJK-UZTOHYMASA-N",null,">10000"]
[2290,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144340","OC(=O)C(CC1CCNCC1)c1cnc[nH]1","InChI=1S/C11H17N3O2/c15-11(16)9(10-6-13-7-14-10)5-8-1-3-12-4-2-8/h6-9,12H,1-5H2,(H,13,14)(H,15,16)","DLGFDVPVEWXPED-UHFFFAOYSA-N",null,">20000"]
[2303,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575766","NCCCCC1(CN(Cc2ccc(cc2)-c2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C22H29N2O4P/c23-13-5-4-12-22(21(25)26)17-24(14-15-29(22,27)28)16-18-8-10-20(11-9-18)19-6-2-1-3-7-19/h1-3,6-11H,4-5,12-17,23H2,(H,25,26)(H,27,28)","XKEWZZHDFCZESH-UHFFFAOYSA-N",null,">30000"]
[2323,"6zox_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197571","NCCCC[C@H](NS(=O)(=O)N[C@H](CC1CCCCC1)C(=O)NC1CC2CCC1C2)C(O)=O","InChI=1S/C22H40N4O5S/c23-11-5-4-8-18(22(28)29)25-32(30,31)26-20(13-15-6-2-1-3-7-15)21(27)24-19-14-16-9-10-17(19)12-16/h15-20,25-26H,1-14,23H2,(H,24,27)(H,28,29)/t16?,17?,18-,19?,20+/m0/s1","PZCYVEWXVUJWOV-AXGZHYKBSA-N",null,75000]
[2335,"7jmp_A",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM81342","CNC(=O)NC(N)=NCCC[C@H](NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(O)=O","InChI=1S/C24H35N7O8/c1-14(32)28-16(10-7-11-27-23(25)30-24(39)26-2)21(36)31(3)18(12-15-8-5-4-6-9-15)20(35)29-17(22(37)38)13-19(33)34/h4-6,8-9,16-18H,7,10-13H2,1-3H3,(H,28,32)(H,29,35)(H,33,34)(H,37,38)(H4,25,26,27,30,39)/t16-,17-,18-/m0/s1","UFMHANUUWPWJKF-BZSNNMDCSA-N",null,5100,{"$nulls":4},5.5]
[2356,"7jmp_A",0.3,"Spike protein S1","Endochitinase B1 [E322A]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,45000]
[2357,"7jmp_A",0.3,"Spike protein S1","Endochitinase B1 [E322A]","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,2930]
[2383,"7kfx_A",0.3,"Spike glycoprotein","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50559069","CNC(=O)NC(=N)NCCC[C@H]1CN(C)[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(=O)N[C@H](CC(=O)N[C@H](C)C(=O)N1)C(O)=O)C(O)=O","InChI=1S/C30H45N9O9/c1-17-25(42)35-19(10-7-13-33-29(31)38-30(48)32-2)16-39(3)22(14-18-8-5-4-6-9-18)26(43)37-20(27(44)45)11-12-23(40)36-21(28(46)47)15-24(41)34-17/h4-6,8-9,17,19-22H,7,10-16H2,1-3H3,(H,34,41)(H,35,42)(H,36,40)(H,37,43)(H,44,45)(H,46,47)(H4,31,32,33,38,48)/t17-,19+,20-,21-,22+/m1/s1","DHHVTIQSEZUVAG-BLCKVISQSA-N",null,27]
[2390,"7kfx_A",0.3,"Spike glycoprotein","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM81342","CNC(=O)NC(N)=NCCC[C@H](NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(O)=O","InChI=1S/C24H35N7O8/c1-14(32)28-16(10-7-11-27-23(25)30-24(39)26-2)21(36)31(3)18(12-15-8-5-4-6-9-15)20(35)29-17(22(37)38)13-19(33)34/h4-6,8-9,16-18H,7,10-13H2,1-3H3,(H,28,32)(H,29,35)(H,33,34)(H,37,38)(H4,25,26,27,30,39)/t16-,17-,18-/m0/s1","UFMHANUUWPWJKF-BZSNNMDCSA-N",null,5100,{"$nulls":4},5.5]
[2414,"7kfx_A",0.3,"Spike glycoprotein","Endochitinase B1 [M243A]","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,1730]
[2423,"7kfx_A",0.3,"Spike glycoprotein","Endochitinase B1 [Y245F]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,64000]
[2440,"7cm4_A",0.3,"Spike glycoprotein","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM81508","Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12","InChI=1S/C17H20N8O4/c1-20-8-18-12-10(20)14(26)24(16(28)22(12)3)6-5-7-25-15(27)11-13(19-9-21(11)2)23(4)17(25)29/h8-9H,5-7H2,1-4H3","KEPIKAFUZRKZMT-UHFFFAOYSA-N",null,200]
[2463,"7cm4_A",0.3,"Spike glycoprotein","Endochitinase B1 [D246A]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,62000]
[2473,"7cm4_A",0.3,"Spike glycoprotein","Endochitinase B1 [R301K]","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,2160]
[2494,"7beh_A",0.3,"Spike glycoprotein","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,27,{"$nulls":4},5.5]
[2506,"7beh_A",0.3,"Spike glycoprotein","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50559066","CNC(=N)NC(=O)NC","InChI=1S/C4H10N4O/c1-6-3(5)8-4(9)7-2/h1-2H3,(H4,5,6,7,8,9)","KGCIDHJBLPVUNN-UHFFFAOYSA-N",null,500000]
[2526,"7beh_A",0.3,"Spike glycoprotein","Endochitinase B1 [R301K]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,17000]
[2539,"7beh_A",0.3,"Spike glycoprotein","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25466","CC(=O)Nc1cc2C(=O)c3ccccc3-c2cc1[N+]([O-])=O","InChI=1S/C15H10N2O4/c1-8(18)16-13-6-12-11(7-14(13)17(20)21)9-4-2-3-5-10(9)15(12)19/h2-7H,1H3,(H,16,18)","NKZAKQSPBYLXCN-UHFFFAOYSA-N",null,null,31790,{"$nulls":3},7.5,"30.00 C"]
[2556,"7nx7_C",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50388143","Cn1cnc2n(C)c(=O)n(CCCCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12","InChI=1S/C19H24N8O4/c1-22-10-20-14-12(22)16(28)26(18(30)24(14)3)8-6-5-7-9-27-17(29)13-15(21-11-23(13)2)25(4)19(27)31/h10-11H,5-9H2,1-4H3","YJGXPSISVGOKLP-UHFFFAOYSA-N",null,5700]
[2574,"7nx7_C",0.3,"Spike protein S1","Endochitinase B1 [E322A]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,45000]
[2589,"7nx7_C",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25460","OC(=O)CS(=O)c1ccc2-c3ccccc3C(=O)c3cccc1c23","InChI=1S/C19H12O4S/c20-17(21)10-24(23)16-9-8-12-11-4-1-2-5-13(11)19(22)15-7-3-6-14(16)18(12)15/h1-9H,10H2,(H,20,21)","WUJCZHVABXHBKL-UHFFFAOYSA-N",null,null,180350,{"$nulls":3},7.5,"30.00 C"]
[2591,"7nx7_C",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25463","OC(=O)CSc1nnc2c3ccccc3c3ccccc3c2n1","InChI=1S/C17H11N3O2S/c21-14(22)9-23-17-18-15-12-7-3-1-5-10(12)11-6-2-4-8-13(11)16(15)19-20-17/h1-8H,9H2,(H,21,22)","XZGDBVGWDJBZRI-UHFFFAOYSA-N",null,null,46850,{"$nulls":3},7.5,"30.00 C"]
[2606,"7d00_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403040","COc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccc(cc12)C(=O)Nc1ccc(cc1)C(O)=O","InChI=1S/C23H19ClN2O6S/c1-32-20-9-6-17(24)13-21(20)33(30,31)26-11-10-14-2-3-16(12-19(14)26)22(27)25-18-7-4-15(5-8-18)23(28)29/h2-9,12-13H,10-11H2,1H3,(H,25,27)(H,28,29)","SPZKHICEEDMLAD-UHFFFAOYSA-N",null,740]
[2623,"7d00_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401914","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O/c31-22(17-5-3-6-17)25-12-4-11-24-21-20(16-9-10-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-1-2-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BGULRIZNMKERDJ-UHFFFAOYSA-N",null,93]
[2639,"7d00_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401906","Fc1cccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)c1","InChI=1S/C21H26FN5O/c22-16-6-2-7-17(12-16)26-21-25-13-18(14-8-9-14)19(27-21)23-10-3-11-24-20(28)15-4-1-5-15/h2,6-7,12-15H,1,3-5,8-11H2,(H,24,28)(H2,23,25,26,27)","URECOWLJWSLQCN-UHFFFAOYSA-N",null,1300]
[2656,"7kj2_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401905","O=C(NCCCNc1nc(Nc2cccc(c2)-c2cnco2)ncc1C1CC1)C1CCC1","InChI=1S/C24H28N6O2/c31-23(17-4-1-5-17)27-11-3-10-26-22-20(16-8-9-16)13-28-24(30-22)29-19-7-2-6-18(12-19)21-14-25-15-32-21/h2,6-7,12-17H,1,3-5,8-11H2,(H,27,31)(H2,26,28,29,30)","DHEGBWHMLXDRTE-UHFFFAOYSA-N",null,560]
[2671,"7ad1_A",0.3,"Spike glycoprotein,Envelope glycoprotein,Spike glycoprotein,Envelope glycoprotein,SARS-CoV-2 S protein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401918","CC(C)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C21H31N7O/c1-14(2)28-13-17(11-25-28)26-21-24-12-18(15-7-8-15)19(27-21)22-9-4-10-23-20(29)16-5-3-6-16/h11-16H,3-10H2,1-2H3,(H,23,29)(H2,22,24,26,27)","MLWMBKMQVQOSSC-UHFFFAOYSA-N",null,81]
[2689,"7ad1_A",0.3,"Spike glycoprotein,Envelope glycoprotein,Spike glycoprotein,Envelope glycoprotein,SARS-CoV-2 S protein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401924","O=C(NCCCNc1nc(Nc2ccc(CN3CCCCC3)nc2)ncc1C1CC1)C1CCC1","InChI=1S/C26H37N7O/c34-25(20-6-4-7-20)28-13-5-12-27-24-23(19-8-9-19)17-30-26(32-24)31-21-10-11-22(29-16-21)18-33-14-2-1-3-15-33/h10-11,16-17,19-20H,1-9,12-15,18H2,(H,28,34)(H2,27,30,31,32)","YMKUQCYWRPVRGE-UHFFFAOYSA-N",null,1200]
[2706,"7a5r_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401899","Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25)","YOFJPZPGHXWQJB-UHFFFAOYSA-N",null,170]
[2719,"7a5r_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401911","CC(C)N1CCC(CC1)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C26H40N8O/c1-18(2)33-13-9-22(10-14-33)34-17-21(15-30-34)31-26-29-16-23(19-7-8-19)24(32-26)27-11-4-12-28-25(35)20-5-3-6-20/h15-20,22H,3-14H2,1-2H3,(H,28,35)(H2,27,29,31,32)","MJCWEXGCJMNQGR-UHFFFAOYSA-N",null,3000]
[2739,"7b14_A",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,460]
[2751,"7b14_A",0.3,"Spike protein S1","Endochitinase B1 [E322A]","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,1370]
[2772,"7b14_A",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM22858","[O-][N+](=O)c1ccc-2c(c1)C(=O)C(=O)c1ccccc-21","InChI=1S/C14H7NO4/c16-13-11-4-2-1-3-9(11)10-6-5-8(15(18)19)7-12(10)14(13)17/h1-7H","KNAXWOBOCVVMST-UHFFFAOYSA-N",null,null,6810,{"$nulls":3},7.5,"30.00 C"]
[2783,"7jw0_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305348","NCCO[C@@H](Cc1cn(CCC2CCCCC2)cn1)C(O)=O","InChI=1S/C16H27N3O3/c17-7-9-22-15(16(20)21)10-14-11-19(12-18-14)8-6-13-4-2-1-3-5-13/h11-13,15H,1-10,17H2,(H,20,21)/t15-/m0/s1","VAABNDTVXFVLFU-HNNXBMFYSA-N",8.2]
[2805,"7jw0_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226604","CCCn1cnc(C[C@@H](CCCN)C(O)=O)c1","InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m1/s1","OTDGPKRCQXSTPV-SNVBAGLBSA-N",">700"]
[2822,"7jw0_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395735","CCC(=O)[Se]CC(CCCCCN)C(O)=O","InChI=1S/C11H21NO3Se/c1-2-10(13)16-8-9(11(14)15)6-4-3-5-7-12/h9H,2-8,12H2,1H3,(H,14,15)","BLOWBFVUAGFPRC-UHFFFAOYSA-N",null,1.1]
[2831,"7jw0_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575768","NCCCCC1(CN(Cc2ccccc2-c2cccnc2)CCP1(O)=O)C(O)=O","InChI=1S/C21H28N3O4P/c22-10-4-3-9-21(20(25)26)16-24(12-13-29(21,27)28)15-18-6-1-2-8-19(18)17-7-5-11-23-14-17/h1-2,5-8,11,14H,3-4,9-10,12-13,15-16,22H2,(H,25,26)(H,27,28)","ZARDBEAQXXDVBK-UHFFFAOYSA-N",null,2]
[2855,"7jw0_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109258","C[C@H](CN)C[C@@H](Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O","InChI=1S/C17H29N3O2/c1-12-3-5-16(6-4-12)20-10-15(19-11-20)8-14(17(21)22)7-13(2)9-18/h10-14,16H,3-9,18H2,1-2H3,(H,21,22)/t12-,13-,14-,16-/m0/s1","OMGSNJPCQBNRPB-YXWQFLTLSA-N",null,5.4]
[2863,"7jw0_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109254","C[C@H](CN)OC(Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O","InChI=1S/C16H27N3O3/c1-11-3-5-14(6-4-11)19-9-13(18-10-19)7-15(16(20)21)22-12(2)8-17/h9-12,14-15H,3-8,17H2,1-2H3,(H,20,21)/t11-,12-,14-,15?/m1/s1","SXFRUTCVXKOOAP-TVAMOIRASA-N",null,7]
[2872,"7jw0_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008271","CCCn1cnc2C[C@@](CCCN)(CCc12)C(O)=O","InChI=1S/C14H23N3O2/c1-2-8-17-10-16-11-9-14(13(18)19,5-3-7-15)6-4-12(11)17/h10H,2-9,15H2,1H3,(H,18,19)/t14-/m1/s1","DPDWQELEXVLQSO-CQSZACIVSA-N",null,8]
[2889,"7jw0_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50547476","CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)c2csc1n2)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C21H34N6O5S/c1-12(2)16-19-24-15(11-33-19)17(28)23-10-6-4-7-13(18(29)27-16)25-21(32)26-14(20(30)31)8-3-5-9-22/h11-14,16H,3-10,22H2,1-2H3,(H,23,28)(H,27,29)(H,30,31)(H2,25,26,32)/t13-,14+,16+/m1/s1","ZCHNTIJYUMFUTH-YCPHGPKFSA-N",null,10]
[2911,"7jw0_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089748","CCC[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC1CC2(C)CCC1C2(C)C","InChI=1S/C22H40N4O4/c1-5-8-15(25-20(30)26-16(19(28)29)9-6-7-12-23)18(27)24-17-13-22(4)11-10-14(17)21(22,2)3/h14-17H,5-13,23H2,1-4H3,(H,24,27)(H,28,29)(H2,25,26,30)/t14?,15-,16+,17?,22?/m1/s1","DXLYYZBSYPQQBL-VFNIDKIXSA-N",null,15]
[2922,"7jw0_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326399","Cc1ccnc(c1)-n1cnc(c1)C1(CC1CCCN)C(O)=O","InChI=1S/C16H20N4O2/c1-11-4-6-18-14(7-11)20-9-13(19-10-20)16(15(21)22)8-12(16)3-2-5-17/h4,6-7,9-10,12H,2-3,5,8,17H2,1H3,(H,21,22)","CRYYMVRUSLUZSY-UHFFFAOYSA-N",null,19]
[2942,"7jw0_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197528","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1ccc(N)nc1)C(O)=O","InChI=1S/C27H43N5O5S/c1-26(2)19-11-12-27(26,3)22(15-19)30-24(33)20(13-17-7-5-4-6-8-17)31-38(36,37)32-21(25(34)35)14-18-9-10-23(28)29-16-18/h9-10,16-17,19-22,31-32H,4-8,11-15H2,1-3H3,(H2,28,29)(H,30,33)(H,34,35)/t19-,20+,21+,22+,27+/m1/s1","QHXMEEQJYRVZQW-HKVSAHRDSA-N",null,26]
[2955,"7jw0_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173930","CC(C)[C@H]1COCC(O)CCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C25H40N4O7/c1-16(2)22-15-35-14-18(30)10-12-36-19-8-6-17(7-9-19)13-21(23(31)27-22)29-25(34)28-20(24(32)33)5-3-4-11-26/h6-9,16,18,20-22,30H,3-5,10-15,26H2,1-2H3,(H,27,31)(H,32,33)(H2,28,29,34)/t18?,20-,21+,22+/m0/s1","HRYCSZDOJDGWOJ-DGWNDXHESA-N",null,33,{"$nulls":4},7.4,"25.00 C"]
[2974,"7jw0_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326345","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(C)c(C)c1","InChI=1S/C29H41N3O6/c1-19-12-13-22(15-20(19)2)31-17-23(30-18-31)29(24(33)36-9)16-21(29)11-10-14-32(25(34)37-27(3,4)5)26(35)38-28(6,7)8/h12-13,15,17-18,21H,10-11,14,16H2,1-9H3","MBUJRUXYFIOFLK-UHFFFAOYSA-N",null,42]
[2988,"7jw0_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326377","CC(C)(C)OC(=O)N(CCCC1CC1(C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc2ccccc2n1)C(=O)OC(C)(C)C","InChI=1S/C33H44N4O6/c1-30(2,3)41-27(38)33(25-20-36(21-34-25)26-17-16-22-13-10-11-15-24(22)35-26)19-23(33)14-12-18-37(28(39)42-31(4,5)6)29(40)43-32(7,8)9/h10-11,13,15-17,20-21,23H,12,14,18-19H2,1-9H3","YXBMHZSYHQXKBM-UHFFFAOYSA-N",null,58]
[3005,"7jw0_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008269","C[C@@H](S)[C@@H](Cc1ccc(N)nc1)C(O)=O","InChI=1S/C10H14N2O2S/c1-6(15)8(10(13)14)4-7-2-3-9(11)12-5-7/h2-3,5-6,8,15H,4H2,1H3,(H2,11,12)(H,13,14)/t6-,8-/m1/s1","GYIYAOUGKJSCCG-HTRCEHHLSA-N",null,87]
[3022,"7jw0_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089740","C[C@H](NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O)c1ccc(Cl)cc1","InChI=1S/C24H37ClN4O4/c1-16(18-10-12-19(25)13-11-18)27-22(30)21(15-17-7-3-2-4-8-17)29-24(33)28-20(23(31)32)9-5-6-14-26/h10-13,16-17,20-21H,2-9,14-15,26H2,1H3,(H,27,30)(H,31,32)(H2,28,29,33)/t16-,20-,21+/m0/s1","XPYKQDYZHBTVDV-ORYQWCPZSA-N",null,110]
[3038,"7jw0_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197557","NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CC2CC1C1CCCC21)C(O)=O","InChI=1S/C25H44N4O5S/c26-12-5-4-11-21(25(31)32)28-35(33,34)29-23(13-16-7-2-1-3-8-16)24(30)27-22-15-17-14-20(22)19-10-6-9-18(17)19/h16-23,28-29H,1-15,26H2,(H,27,30)(H,31,32)/t17?,18?,19?,20?,21-,22?,23-/m0/s1","SLROOTQKYKGVCV-SWISWOKGSA-N",null,170]
[3054,"7jw0_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197533","NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)C(O)=O","InChI=1S/C22H40N4O5S/c23-11-5-4-8-18(22(28)29)25-32(30,31)26-20(13-15-6-2-1-3-7-15)21(27)24-19-14-16-9-10-17(19)12-16/h15-20,25-26H,1-14,23H2,(H,24,27)(H,28,29)/t16-,17-,18-,19+,20-/m0/s1","PZCYVEWXVUJWOV-FSGKZVOOSA-N",null,330]
[3071,"7jw0_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575752","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccccn2)CCP1(O)=O)C(O)=O","InChI=1S/C15H24N3O4P.C2HF3O2/c16-7-3-2-6-15(14(19)20)12-18(9-10-23(15,21)22)11-13-5-1-4-8-17-13;3-2(4,5)1(6)7/h1,4-5,8H,2-3,6-7,9-12,16H2,(H,19,20)(H,21,22);(H,6,7)","RLTFNRHVYOETOJ-UHFFFAOYSA-N",null,500]
[3088,"7jw0_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201430","NC(=N)c1ccc(cc1)C(CS)C(O)=O","InChI=1S/C10H12N2O2S/c11-9(12)7-3-1-6(2-4-7)8(5-15)10(13)14/h1-4,8,15H,5H2,(H3,11,12)(H,13,14)","RIFDSZLUNQNXHW-UHFFFAOYSA-N",null,905]
[3102,"7jw0_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575753","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccco2)CCP1(O)=O)C(O)=O","InChI=1S/C14H23N2O5P.C2HF3O2/c15-6-2-1-5-14(13(17)18)11-16(7-9-22(14,19)20)10-12-4-3-8-21-12;3-2(4,5)1(6)7/h3-4,8H,1-2,5-7,9-11,15H2,(H,17,18)(H,19,20);(H,6,7)","NHUTWXDCZGPHKX-UHFFFAOYSA-N",null,1500]
[3105,"7jw0_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144323","Cc1cc(N)ncc1CC(C(O)=O)c1cnc[nH]1","InChI=1S/C12H14N4O2/c1-7-2-11(13)15-4-8(7)3-9(12(17)18)10-5-14-6-16-10/h2,4-6,9H,3H2,1H3,(H2,13,15)(H,14,16)(H,17,18)","KALXZOHMRQIEQG-UHFFFAOYSA-N",null,1500]
[3134,"7jw0_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144332","Nc1ncc(CC(C(O)=O)c2cnc[nH]2)cc1Cl","InChI=1S/C11H11ClN4O2/c12-8-2-6(3-15-10(8)13)1-7(11(17)18)9-4-14-5-16-9/h2-5,7H,1H2,(H2,13,15)(H,14,16)(H,17,18)","MJTFFPFQFJNAGQ-UHFFFAOYSA-N",null,5300]
[3138,"7jw0_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089747","CC(C)(NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC1CC2(C)CCC1C2(C)C","InChI=1S/C21H38N4O4/c1-19(2)13-9-10-21(19,5)12-15(13)23-17(28)20(3,4)25-18(29)24-14(16(26)27)8-6-7-11-22/h13-15H,6-12,22H2,1-5H3,(H,23,28)(H,26,27)(H2,24,25,29)/t13?,14-,15?,21?/m0/s1","UKTRIANNESCITF-WYIKUNGISA-N",null,6100]
[3155,"7jw0_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575742","NCCCC[C@@]1(CN(Cc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C16H25N2O4P/c17-9-5-4-8-16(15(19)20)13-18(10-11-23(16,21)22)12-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13,17H2,(H,19,20)(H,21,22)/t16-/m1/s1","ZNSVXALGZJWZDW-MRXNPFEDSA-N",null,10700]
[3182,"7jw0_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197537","C[C@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC12CC3CC(CC(C3)C1)C2","InChI=1S/C19H34N4O5S/c1-12(22-29(27,28)23-16(18(25)26)4-2-3-5-20)17(24)21-19-9-13-6-14(10-19)8-15(7-13)11-19/h12-16,22-23H,2-11,20H2,1H3,(H,21,24)(H,25,26)/t12-,13?,14?,15?,16-,19?/m0/s1","JCWJMQFYTRMVQI-VYXJFRSESA-N",null,">30000"]
[3188,"7jw0_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575745","OC(=O)C(F)(F)F.CN1CCP(O)(=O)C(CCCCN)(C1)C(O)=O","InChI=1S/C10H21N2O4P.C2HF3O2/c1-12-6-7-17(15,16)10(8-12,9(13)14)4-2-3-5-11;3-2(4,5)1(6)7/h2-8,11H2,1H3,(H,13,14)(H,15,16);(H,6,7)","VDCVXOSANJZRMT-UHFFFAOYSA-N",null,">30000"]
[3199,"7jw0_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144338","CN(C)CCCCC(C(O)=O)c1cnc[nH]1","InChI=1S/C11H19N3O2/c1-14(2)6-4-3-5-9(11(15)16)10-7-12-8-13-10/h7-9H,3-6H2,1-2H3,(H,12,13)(H,15,16)","ZEASILFPEFTDJS-UHFFFAOYSA-N",null,">50000"]
[3221,"7jw0_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401922","O=C(NCCCNc1nc(Nc2ccc3CCN(Cc3c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C27H36N6O/c34-26(20-3-1-4-20)29-13-2-12-28-25-24(19-5-6-19)16-30-27(32-25)31-22-8-7-18-11-14-33(23-9-10-23)17-21(18)15-22/h7-8,15-16,19-20,23H,1-6,9-14,17H2,(H,29,34)(H2,28,30,31,32)","MDSQSUYVBCKIKT-UHFFFAOYSA-N",null,570]
[3231,"7bei_C",0.3,"Spike glycoprotein","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50559069","CNC(=O)NC(=N)NCCC[C@H]1CN(C)[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(=O)N[C@H](CC(=O)N[C@H](C)C(=O)N1)C(O)=O)C(O)=O","InChI=1S/C30H45N9O9/c1-17-25(42)35-19(10-7-13-33-29(31)38-30(48)32-2)16-39(3)22(14-18-8-5-4-6-9-18)26(43)37-20(27(44)45)11-12-23(40)36-21(28(46)47)15-24(41)34-17/h4-6,8-9,17,19-22H,7,10-16H2,1-3H3,(H,34,41)(H,35,42)(H,36,40)(H,37,43)(H,44,45)(H,46,47)(H4,31,32,33,38,48)/t17-,19+,20-,21-,22+/m1/s1","DHHVTIQSEZUVAG-BLCKVISQSA-N",null,27]
[3254,"7bei_C",0.3,"Spike glycoprotein","Endochitinase B1 [D175A]","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,3600]
[3271,"7bei_C",0.3,"Spike glycoprotein","Endochitinase B1 [Y245F]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,64000]
[3279,"7bei_C",0.3,"Spike glycoprotein","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25468","[O-][N+](=O)c1cc2C(=O)c3cc(F)ccc3-c2cc1F","InChI=1S/C13H5F2NO3/c14-6-1-2-7-8-4-11(15)12(16(18)19)5-10(8)13(17)9(7)3-6/h1-5H","DYURKAXDBWRFLK-UHFFFAOYSA-N",null,null,44590,{"$nulls":3},7.5,"30.00 C"]
[3304,"7e3j_B",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,43000]
[3311,"7e3j_B",0.3,"Spike protein S1","Endochitinase B1 [D246A]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,62000]
[3337,"7e3j_B",0.3,"Spike protein S1","Histone-lysine N-methyltransferase ASH1L","Homo sapiens","BDBM50530712","N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1cccc(c1)C(N)=O)C(O)=O","InChI=1S/C24H27N7O6/c25-15(24(35)36)7-6-13(5-4-12-2-1-3-14(8-12)21(27)34)9-16-18(32)19(33)23(37-16)31-11-30-17-20(26)28-10-29-22(17)31/h1-3,8,10-11,13,15-16,18-19,23,32-33H,6-7,9,25H2,(H2,27,34)(H,35,36)(H2,26,28,29)/t13-,15-,16+,18+,19+,23+/m0/s1","QRKSTGPKAQGBDD-GGPTZFPQSA-N",null,">10000"]
[3354,"7l06_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401922","O=C(NCCCNc1nc(Nc2ccc3CCN(Cc3c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C27H36N6O/c34-26(20-3-1-4-20)29-13-2-12-28-25-24(19-5-6-19)16-30-27(32-25)31-22-8-7-18-11-14-33(23-9-10-23)17-21(18)15-22/h7-8,15-16,19-20,23H,1-6,9-14,17H2,(H,29,34)(H2,28,30,31,32)","MDSQSUYVBCKIKT-UHFFFAOYSA-N",null,570]
[3359,"7l06_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401906","Fc1cccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)c1","InChI=1S/C21H26FN5O/c22-16-6-2-7-17(12-16)26-21-25-13-18(14-8-9-14)19(27-21)23-10-3-11-24-20(28)15-4-1-5-15/h2,6-7,12-15H,1,3-5,8-11H2,(H,24,28)(H2,23,25,26,27)","URECOWLJWSLQCN-UHFFFAOYSA-N",null,1300]
[3371,"7cwo_A",0.3,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403037","O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(cs1)-c1ccccn1","InChI=1S/C21H21N3O2S/c25-20(14-26-16-8-2-1-3-9-16)24-13-7-5-11-19(24)21-23-18(15-27-21)17-10-4-6-12-22-17/h1-4,6,8-10,12,15,19H,5,7,11,13-14H2/t19-/m1/s1","BOUYMYAAZCWWFQ-LJQANCHMSA-N",null,4800]
[3390,"7d30_B",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50388143","Cn1cnc2n(C)c(=O)n(CCCCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12","InChI=1S/C19H24N8O4/c1-22-10-20-14-12(22)16(28)26(18(30)24(14)3)8-6-5-7-9-27-17(29)13-15(21-11-23(13)2)25(4)19(27)31/h10-11H,5-9H2,1-4H3","YJGXPSISVGOKLP-UHFFFAOYSA-N",null,5700]
[3404,"7d30_B",0.3,"Spike protein S1","Endochitinase B1 [D175A]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,100000]
[3421,"7d30_B",0.3,"Spike protein S1","Endochitinase B1 [Y245F]","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,5570]
[3439,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Microtubule-associated protein tau","Bos taurus","BDBM142846","C[C@@H]1COCCN1c1nc(cc(=O)n1C)-c1ncncc1F","InChI=1S/C14H16FN5O2/c1-9-7-22-4-3-20(9)14-18-11(5-12(21)19(14)2)13-10(15)6-16-8-17-13/h5-6,8-9H,3-4,7H2,1-2H3/t9-/m1/s1","OXEZCSBOEPKTJW-SECBINFHSA-N",null,19.7,{"$nulls":4},6.5,"25.00 C"]
[3454,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50084137","Cc1cccc(n1)C#Cc1ccccc1","InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3","NEWKHUASLBMWRE-UHFFFAOYSA-N",">100000"]
[3470,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564994","COc1ccnc(n1)-n1ncc2CC(CCc2c1=O)c1cccc(OC)c1C","InChI=1S/C21H22N4O3/c1-13-16(5-4-6-18(13)27-2)14-7-8-17-15(11-14)12-23-25(20(17)26)21-22-10-9-19(24-21)28-3/h4-6,9-10,12,14H,7-8,11H2,1-3H3","VEKLPMTVTPNYAD-UHFFFAOYSA-N",null,"<500"]
[3487,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565012","COc1cccc(C2CCc3c(C2)cnn(-c2ccccn2)c3=O)c1C","InChI=1S/C21H21N3O2/c1-14-17(6-5-7-19(14)26-2)15-9-10-18-16(12-15)13-23-24(21(18)25)20-8-3-4-11-22-20/h3-8,11,13,15H,9-10,12H2,1-2H3","WIICUVRGVRADPA-UHFFFAOYSA-N",null,"<500"]
[3502,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565040","Cc1cc(C)c(C2CCc3c(C2)cnn(-c2ncccn2)c3=O)c(C)c1","InChI=1S/C21H22N4O/c1-13-9-14(2)19(15(3)10-13)16-5-6-18-17(11-16)12-24-25(20(18)26)21-22-7-4-8-23-21/h4,7-10,12,16H,5-6,11H2,1-3H3","OPAGWXLYJXFRCT-UHFFFAOYSA-N",null,"<500"]
[3520,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565065","Cc1ccc(C2CCc3c(C2)cnn(-c2ccc(cn2)N2CCOCC2)c3=O)c(C)c1","InChI=1S/C25H28N4O2/c1-17-3-6-22(18(2)13-17)19-4-7-23-20(14-19)15-27-29(25(23)30)24-8-5-21(16-26-24)28-9-11-31-12-10-28/h3,5-6,8,13,15-16,19H,4,7,9-12,14H2,1-2H3","NAIHNLMBFHTNHI-UHFFFAOYSA-N",null,"<500"]
[3537,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565089","O=c1c2CC[C@@H](Cc2cnn1-c1ncccn1)c1cccc2n(ccc12)C1CC1","InChI=1S/C23H21N5O/c29-22-19-8-5-15(13-16(19)14-26-28(22)23-24-10-2-11-25-23)18-3-1-4-21-20(18)9-12-27(21)17-6-7-17/h1-4,9-12,14-15,17H,5-8,13H2/t15-/m0/s1","KOFDQKXDMFHVIE-HNNXBMFYSA-N",null,"<500"]
[3550,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564969","COc1cccnc1-n1ncc2CC(CCc2c1=O)c1ccc(C)cc1C","InChI=1S/C22H23N3O2/c1-14-6-8-18(15(2)11-14)16-7-9-19-17(12-16)13-24-25(22(19)26)21-20(27-3)5-4-10-23-21/h4-6,8,10-11,13,16H,7,9,12H2,1-3H3","DSNNJIHWNKKNEI-UHFFFAOYSA-N",null,"<500"]
[3570,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564984","Cc1ccc(C2CCc3c(C2)cnn(-c2nccs2)c3=O)c(C)c1","InChI=1S/C19H19N3OS/c1-12-3-5-16(13(2)9-12)14-4-6-17-15(10-14)11-21-22(18(17)23)19-20-7-8-24-19/h3,5,7-9,11,14H,4,6,10H2,1-2H3","CUJGCOYCGVXISL-UHFFFAOYSA-N",null,750]
[3582,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565014","O=c1c2CCC(Cc2cnn1-c1ccccn1)c1cccc(c1)C1CC1","InChI=1S/C22H21N3O/c26-22-20-10-9-18(17-5-3-4-16(12-17)15-7-8-15)13-19(20)14-24-25(22)21-6-1-2-11-23-21/h1-6,11-12,14-15,18H,7-10,13H2","NMJXPPVJDQHADF-UHFFFAOYSA-N",null,750]
[3603,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50204257","N[C@@]1([C@H]2[C@H]([C@@H]2C(O)=O)[C@H](O)[C@H]1OCc1ccc(Cl)c(Cl)c1)C(O)=O","InChI=1S/C15H15Cl2NO6/c16-6-2-1-5(3-7(6)17)4-24-12-11(19)8-9(13(20)21)10(8)15(12,18)14(22)23/h1-3,8-12,19H,4,18H2,(H,20,21)(H,22,23)/t8-,9-,10-,11-,12+,15+/m0/s1","WNOZOUHFGZKGNT-ANYOLZDRSA-N",null,10500]
[3604,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50244219","COc1cccc(c1)C(=O)N[C@H]1C[C@](N)([C@H]2[C@@H]1[C@@H]2C(O)=O)C(O)=O","InChI=1S/C16H18N2O6/c1-24-8-4-2-3-7(5-8)13(19)18-9-6-16(17,15(22)23)12-10(9)11(12)14(20)21/h2-5,9-12H,6,17H2,1H3,(H,18,19)(H,20,21)(H,22,23)/t9-,10-,11-,12-,16-/m0/s1","UXNRHIJPZNNDDJ-VZAVHYRXSA-N",null,">12500"]
[3630,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50049748","N[C@@H](C[C@H](CCCC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O","InChI=1S/C21H25NO4/c22-19(21(25)26)14-17(20(23)24)12-7-13-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17-19H,7,12-14,22H2,(H,23,24)(H,25,26)/t17-,19-/m0/s1","DWLOVDOPFJPWNE-HKUYNNGSSA-N",null,">300000"]
[3637,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50255333","N[C@@H](CCP(O)(=O)C(O)c1ccc(N2CCOCC2)c(c1)[N+]([O-])=O)C(O)=O","InChI=1S/C15H22N3O8P/c16-11(14(19)20)3-8-27(24,25)15(21)10-1-2-12(13(9-10)18(22)23)17-4-6-26-7-5-17/h1-2,9,11,15,21H,3-8,16H2,(H,19,20)(H,24,25)/t11-,15?/m0/s1","BWTDMGDNYYGBNJ-VPHXOMNUSA-N",{"$nulls":3},">100000"]
[3662,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50552354","Cc1ccoc1C(=O)Nc1c(F)cc(N2C(=O)c3ccccc3C2=O)c(F)c1F","InChI=1S/C20H11F3N2O4/c1-9-6-7-29-17(9)18(26)24-16-12(21)8-13(14(22)15(16)23)25-19(27)10-4-2-3-5-11(10)20(25)28/h2-8H,1H3,(H,24,26)","ZQOAYJJXKVBVJA-UHFFFAOYSA-N",{"$nulls":3},302]
[3670,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50353291","C1Cc2[nH]ncc2-c2nc(Nc3ncccn3)sc2C1","InChI=1S/C13H12N6S/c1-3-9-8(7-16-19-9)11-10(4-1)20-13(17-11)18-12-14-5-2-6-15-12/h2,5-7H,1,3-4H2,(H,16,19)(H,14,15,17,18)","HYJWPTWQMAYKAM-UHFFFAOYSA-N",{"$nulls":3},">10000"]
[3694,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50007548","N[C@@H](CCP(O)(O)=O)C(O)=O","InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1","DDOQBQRIEWHWBT-VKHMYHEASA-N",{"$nulls":3},200000]
[3703,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50207813","NC([C@@H]1[C@H]([C@H]1P(O)(O)=O)c1ccccc1)C(O)=O","InChI=1S/C11H14NO5P/c12-9(11(13)14)8-7(10(8)18(15,16)17)6-4-2-1-3-5-6/h1-5,7-10H,12H2,(H,13,14)(H2,15,16,17)/t7-,8+,9?,10-/m1/s1","DLDXPEVIBANPLO-URJDPWSZSA-N",{"$nulls":3},">1000000"]
[3720,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50255348","COc1cc(cc(c1O)[N+]([O-])=O)[C@H](O)P(O)(=O)CC[C@H](N)C(O)=O","InChI=1S/C12H17N2O9P/c1-23-9-5-6(4-8(10(9)15)14(19)20)12(18)24(21,22)3-2-7(13)11(16)17/h4-5,7,12,15,18H,2-3,13H2,1H3,(H,16,17)(H,21,22)/t7-,12+/m0/s1","PEXVMHLARUAHNC-JVXZTZIISA-N",{"$nulls":3},100000]
[3742,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66362","COc1ccc(cc1)N1C(C(CCC1=O)C(O)=O)c1ccc(OC)c(OC)c1","InChI=1S/C21H23NO6/c1-26-15-7-5-14(6-8-15)22-19(23)11-9-16(21(24)25)20(22)13-4-10-17(27-2)18(12-13)28-3/h4-8,10,12,16,20H,9,11H2,1-3H3,(H,24,25)","HBZSNPJHTRNXPY-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[3753,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM50308501","CCOC(=O)Nc1nc(c(s1)C(=O)c1ccccc1)-c1ccccc1","InChI=1S/C19H16N2O3S/c1-2-24-19(23)21-18-20-15(13-9-5-3-6-10-13)17(25-18)16(22)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,20,21,23)","VMTZCTQCFMWSEO-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[3774,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66382","CCN(C(=O)c1ccc2c(OCC=C)n(C)nc2c1)c1ccc(OC)cc1","InChI=1S/C21H23N3O3/c1-5-13-27-21-18-12-7-15(14-19(18)22-23(21)3)20(25)24(6-2)16-8-10-17(26-4)11-9-16/h5,7-12,14H,1,6,13H2,2-4H3","UKQPZZHKUTZDGU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[3786,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66719","O=C(Nc1cccnc1)\\C=C\\c1ccccc1","InChI=1S/C14H12N2O/c17-14(16-13-7-4-10-15-11-13)9-8-12-5-2-1-3-6-12/h1-11H,(H,16,17)/b9-8+","LIKDGODLSLTXFU-CMDGGOBGSA-N",{"$nulls":3},">350000"]
[3803,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66735","Cc1ccccc1NC1=NC(=O)C(CO)(CO)S1","InChI=1S/C12H14N2O3S/c1-8-4-2-3-5-9(8)13-11-14-10(17)12(6-15,7-16)18-11/h2-5,15-16H,6-7H2,1H3,(H,13,14,17)","GIQIUVYIIGDDIR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[3807,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66738","Cc1c(CCCC(O)=O)sc(N)c1C(=O)c1cccc(c1)C(F)(F)F","InChI=1S/C17H16F3NO3S/c1-9-12(6-3-7-13(22)23)25-16(21)14(9)15(24)10-4-2-5-11(8-10)17(18,19)20/h2,4-5,8H,3,6-7,21H2,1H3,(H,22,23)","VKIOQVZNZFRNDU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[3836,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66762","Cc1cccc[n+]1CC(=O)c1ccccc1","InChI=1S/C14H14NO/c1-12-7-5-6-10-15(12)11-14(16)13-8-3-2-4-9-13/h2-10H,11H2,1H3/q+1","ZPHBROYGBIQXLA-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[3839,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66765","Cc1cc2c(NC(=O)C22OCCO2)c(Br)c1","InChI=1S/C11H10BrNO3/c1-6-4-7-9(8(12)5-6)13-10(14)11(7)15-2-3-16-11/h4-5H,2-3H2,1H3,(H,13,14)","MMUIDJKEDMWJIE-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[3853,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66779","COc1ccc(OC)c(NC(=O)c2cc(n[nH]2)-c2cc(C)ccc2O)c1","InChI=1S/C19H19N3O4/c1-11-4-6-17(23)13(8-11)14-10-16(22-21-14)19(24)20-15-9-12(25-2)5-7-18(15)26-3/h4-10,23H,1-3H3,(H,20,24)(H,21,22)","XWEZGSVWAGSGLC-UHFFFAOYSA-N",{"$nulls":3},46430]
[3870,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66017","Cc1cccc(C)c1NC(=O)C(Cl)C(=O)c1ccccc1","InChI=1S/C17H16ClNO2/c1-11-7-6-8-12(2)15(11)19-17(21)14(18)16(20)13-9-4-3-5-10-13/h3-10,14H,1-2H3,(H,19,21)","FPMBWSWPBUTVSU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[3887,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66809","CCCn1c(SCC(=O)NCC=C)nc2sc3CCCc3c2c1=O","InChI=1S/C17H21N3O2S2/c1-3-8-18-13(21)10-23-17-19-15-14(16(22)20(17)9-4-2)11-6-5-7-12(11)24-15/h3H,1,4-10H2,2H3,(H,18,21)","YDCFTZURSPKSQN-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[3903,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM64753","CCOc1ccc(nn1)-c1ccc(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1","InChI=1S/C18H16N4O5S/c1-2-27-18-12-11-17(19-20-18)13-3-5-14(6-4-13)21-28(25,26)16-9-7-15(8-10-16)22(23)24/h3-12,21H,2H2,1H3","JIPDQRTURCTCRJ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[3918,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66833","Cc1nnc2nc(SCC(=O)NCCC3=CCCCC3)n(c(N)c12)-c1ccc(Br)cc1","InChI=1S/C22H25BrN6OS/c1-14-19-20(24)29(17-9-7-16(23)8-10-17)22(26-21(19)28-27-14)31-13-18(30)25-12-11-15-5-3-2-4-6-15/h5,7-10H,2-4,6,11-13,24H2,1H3,(H,25,30)","DFQPUTIIYXYGGX-UHFFFAOYSA-N",{"$nulls":3},13860]
[3936,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66851","CN(C1CCCN(Cc2ccccc2F)C1)C(=O)CSc1ccncc1","InChI=1S/C20H24FN3OS/c1-23(20(25)15-26-18-8-10-22-11-9-18)17-6-4-12-24(14-17)13-16-5-2-3-7-19(16)21/h2-3,5,7-11,17H,4,6,12-15H2,1H3","FALWUVFFLVTECV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[3950,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66857","CN1C(=CC(=NS1(=O)=O)c1ccco1)C(=O)Nc1cccc(O)c1","InChI=1S/C15H13N3O5S/c1-18-13(15(20)16-10-4-2-5-11(19)8-10)9-12(17-24(18,21)22)14-6-3-7-23-14/h2-9,19H,1H3,(H,16,20)","BLMROVIDMVFTBT-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[3969,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66876","COc1ccccc1N1CCN(CC1)S(=O)(=O)CCNC(=O)c1cc(OC)c(OC)c(OC)c1","InChI=1S/C23H31N3O7S/c1-30-19-8-6-5-7-18(19)25-10-12-26(13-11-25)34(28,29)14-9-24-23(27)17-15-20(31-2)22(33-4)21(16-17)32-3/h5-8,15-16H,9-14H2,1-4H3,(H,24,27)","YKZFJMZZOLIMLZ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[3986,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66892","CCOCCCNC(=O)c1ccc(N2CC3CC(C2)c2cccc(=O)n2C3)c(NC(=O)Nc2cccc(OC)c2)c1","InChI=1S/C31H37N5O5/c1-3-41-14-6-13-32-30(38)22-11-12-28(26(16-22)34-31(39)33-24-7-4-8-25(17-24)40-2)35-18-21-15-23(20-35)27-9-5-10-29(37)36(27)19-21/h4-5,7-12,16-17,21,23H,3,6,13-15,18-20H2,1-2H3,(H,32,38)(H2,33,34,39)","RIGBCWDWNBEXKU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[3998,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66901","COC(=O)c1ccc(CNC(=O)C2CCC(=O)N(CCc3ccccc3)C2)cc1","InChI=1S/C23H26N2O4/c1-29-23(28)19-9-7-18(8-10-19)15-24-22(27)20-11-12-21(26)25(16-20)14-13-17-5-3-2-4-6-17/h2-10,20H,11-16H2,1H3,(H,24,27)","QWKGPJQXTBQZCX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[4019,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66921","CC1Cc2cc(ccc2O1)C(=O)C1C(N(Cc2cccnc2)C(=O)C1=O)c1cccc(O)c1","InChI=1S/C26H22N2O5/c1-15-10-19-11-18(7-8-21(19)33-15)24(30)22-23(17-5-2-6-20(29)12-17)28(26(32)25(22)31)14-16-4-3-9-27-13-16/h2-9,11-13,15,22-23,29H,10,14H2,1H3","YOEWXZBNIDXWIZ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[4030,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66931","CC1CCN(Cc2c(nnn2-c2nonc2N)C(=O)NN=Cc2ccc(cc2)C(C)(C)C)CC1","InChI=1S/C23H31N9O2/c1-15-9-11-31(12-10-15)14-18-19(26-30-32(18)21-20(24)28-34-29-21)22(33)27-25-13-16-5-7-17(8-6-16)23(2,3)4/h5-8,13,15H,9-12,14H2,1-4H3,(H2,24,28)(H,27,33)","FVYRESBJFDVTOG-UHFFFAOYSA-N",{"$nulls":3},45680]
[4052,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM58859","COc1cc(\\C=C\\C(=O)c2ccc(o2)[N+]([O-])=O)ccc1O","InChI=1S/C14H11NO6/c1-20-13-8-9(3-5-11(13)17)2-4-10(16)12-6-7-14(21-12)15(18)19/h2-8,17H,1H3/b4-2+","FVJVZKRVTOCVQA-DUXPYHPUSA-N",{"$nulls":3},">350000"]
[4069,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66963","CCOc1ccc(cc1)N1CC(CC1=O)C(=O)NNC(=O)c1ccc(Br)cc1","InChI=1S/C20H20BrN3O4/c1-2-28-17-9-7-16(8-10-17)24-12-14(11-18(24)25)20(27)23-22-19(26)13-3-5-15(21)6-4-13/h3-10,14H,2,11-12H2,1H3,(H,22,26)(H,23,27)","UGWGSIYIAJNDMV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[4078,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66971","CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CSCc1c(C)noc1C","InChI=1S/C17H19Cl2N3O3S/c1-10-13(11(2)25-21-10)8-26-9-17(24)22(3)7-16(23)20-12-4-5-14(18)15(19)6-12/h4-6H,7-9H2,1-3H3,(H,20,23)","SCHQPWPELTVUAM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[4102,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66989","CCN(CC(=O)Nc1c(F)cccc1F)C(=O)\\C=C\\c1ccc(C)cc1","InChI=1S/C20H20F2N2O2/c1-3-24(19(26)12-11-15-9-7-14(2)8-10-15)13-18(25)23-20-16(21)5-4-6-17(20)22/h4-12H,3,13H2,1-2H3,(H,23,25)/b12-11+","SUEJESRVIGEHJW-VAWYXSNFSA-N",{"$nulls":3},">350000"]
[4110,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66997","Fc1ccc(NC(=O)COC(=O)c2ccc(CN3CCCC3=O)cc2)cc1","InChI=1S/C20H19FN2O4/c21-16-7-9-17(10-8-16)22-18(24)13-27-20(26)15-5-3-14(4-6-15)12-23-11-1-2-19(23)25/h3-10H,1-2,11-13H2,(H,22,24)","BMTQOJQTCHVQRH-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[4119,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67005","Fc1cccc(c1)S(=O)(=O)N1CCN(CC1)C(=O)c1cc(nn1-c1ccccc1)C1CC1","InChI=1S/C23H23FN4O3S/c24-18-5-4-8-20(15-18)32(30,31)27-13-11-26(12-14-27)23(29)22-16-21(17-9-10-17)25-28(22)19-6-2-1-3-7-19/h1-8,15-17H,9-14H2","DYTFCWLSZFELGG-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[4136,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67022","Cc1ccccc1[C@]1(C)ON(C1=O)c1ccccc1C(F)(F)F","InChI=1S/C17H14F3NO2/c1-11-7-3-4-8-12(11)16(2)15(22)21(23-16)14-10-6-5-9-13(14)17(18,19)20/h3-10H,1-2H3/t16-/m0/s1","VXHXMOMFUNERDY-INIZCTEOSA-N",{"$nulls":3},">350000"]
[4158,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM50241243","OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O","InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-24,26-29H,7H2/t13-,15-,17+,18-,21+/m1/s1","VLAZVXDNDNYUKJ-QSOFNFLRSA-N",{"$nulls":3},">350000"]
[4169,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67053","CC(=O)OC[C@]12CC[C@H]3[C@@](C)(CC[C@H]4C(C)(C)CCC[C@]34C)[C@@H]1C[C@H](O2)C1=CC(=O)O[C@@H]1OC(C)=O","InChI=1S/C29H42O7/c1-17(30)33-16-29-13-9-22-27(5)11-7-10-26(3,4)21(27)8-12-28(22,6)23(29)15-20(36-29)19-14-24(32)35-25(19)34-18(2)31/h14,20-23,25H,7-13,15-16H2,1-6H3/t20-,21-,22+,23-,25-,27-,28+,29+/m0/s1","RJZULDNPMPWJSC-UNYUUCQMSA-N",{"$nulls":3},4980]
[4190,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67073","Cc1cc(C)n2nc(SCC(=O)NC(=O)c3ccccc3)nc2n1","InChI=1S/C16H15N5O2S/c1-10-8-11(2)21-15(17-10)19-16(20-21)24-9-13(22)18-14(23)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,18,22,23)","FBCSTYKTQQTGBD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[4202,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67085","Brc1ccccc1C(=O)OCC(=O)NC1CCCCCCC1","InChI=1S/C17H22BrNO3/c18-15-11-7-6-10-14(15)17(21)22-12-16(20)19-13-8-4-2-1-3-5-9-13/h6-7,10-11,13H,1-5,8-9,12H2,(H,19,20)","RIEVBBVOVFWUCF-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[4222,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM38263","COc1ccc2[nH]c(=O)c(CN(CC3CCCO3)C(=O)Nc3ccccc3)cc2c1","InChI=1S/C23H25N3O4/c1-29-19-9-10-21-16(13-19)12-17(22(27)25-21)14-26(15-20-8-5-11-30-20)23(28)24-18-6-3-2-4-7-18/h2-4,6-7,9-10,12-13,20H,5,8,11,14-15H2,1H3,(H,24,28)(H,25,27)","QUTURFOXOGPOGI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[4235,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66241","Fc1ccc(cc1)-c1nn(cc1C1NC(=O)NC1=O)-c1ccccc1","InChI=1S/C18H13FN4O2/c19-12-8-6-11(7-9-12)15-14(16-17(24)21-18(25)20-16)10-23(22-15)13-4-2-1-3-5-13/h1-10,16H,(H2,20,21,24,25)","MPQWYPLPWGUMJE-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[4252,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66253","CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)N1CCOCC1","InChI=1S/C16H17ClN4O4S/c1-26(23,24)16-18-10-13(17)14(20-16)15(22)19-11-2-4-12(5-3-11)21-6-8-25-9-7-21/h2-5,10H,6-9H2,1H3,(H,19,22)","PIMBKNQXYLCURE-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[4270,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66265","O=C(Cc1ccc(cc1)-n1cccc1)NC1CCCCC1","InChI=1S/C18H22N2O/c21-18(19-16-6-2-1-3-7-16)14-15-8-10-17(11-9-15)20-12-4-5-13-20/h4-5,8-13,16H,1-3,6-7,14H2,(H,19,21)","ZPIYXDOZJIGANS-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[4285,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66390","COc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1-c1cc2ccccc2oc1=O","InChI=1S/C23H15Cl2NO4/c1-29-21-12-15(26-22(27)17-8-6-14(24)11-19(17)25)7-9-16(21)18-10-13-4-2-3-5-20(13)30-23(18)28/h2-12H,1H3,(H,26,27)","CPSFTNZKWJWHAO-UHFFFAOYSA-N",{"$nulls":3},102100]
[4302,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66402","COc1ccccc1CC(=[NH2+])[N-]OC(=O)c1cccc(c1)[N+]([O-])=O","InChI=1S/C16H14N3O5/c1-23-14-8-3-2-5-11(14)10-15(17)18-24-16(20)12-6-4-7-13(9-12)19(21)22/h2-9H,10H2,1H3,(H-,17,18)/q-1/p+1","ACFLGLTVXGJDQO-UHFFFAOYSA-O",{"$nulls":3},">350000"]
[4318,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66416","CCCCOC(=O)c1ccc(o1)S(N)(=O)=O","InChI=1S/C9H13NO5S/c1-2-3-6-14-9(11)7-4-5-8(15-7)16(10,12)13/h4-5H,2-3,6H2,1H3,(H2,10,12,13)","SJGVTEINXDLOPI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[4335,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66277","COc1oc(nc1C(F)(F)F)-c1ccccc1","InChI=1S/C11H8F3NO2/c1-16-10-8(11(12,13)14)15-9(17-10)7-5-3-2-4-6-7/h2-6H,1H3","GXZPKCTUWACFKY-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[4350,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66288","COc1ccc(cc1)S(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O","InChI=1S/C18H19N3O4S/c1-13-17(18(22)21(20(13)2)14-7-5-4-6-8-14)19-26(23,24)16-11-9-15(25-3)10-12-16/h4-12,19H,1-3H3","TWQMFVMZYMEMNQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[4352,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM43507","COc1ccccc1-c1cc(nc(n1)S(=O)(=O)CCCC(=O)N1CCOCC1)C(F)(F)F","InChI=1S/C20H22F3N3O5S/c1-30-16-6-3-2-5-14(16)15-13-17(20(21,22)23)25-19(24-15)32(28,29)12-4-7-18(27)26-8-10-31-11-9-26/h2-3,5-6,13H,4,7-12H2,1H3","LEOXTJRUFANINQ-UHFFFAOYSA-N",{"$nulls":3},28750]
[4382,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM55358","CCOC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(C)CC1","InChI=1S/C18H26N2O5S/c1-3-25-18(22)9-8-17(21)19-15-4-6-16(7-5-15)26(23,24)20-12-10-14(2)11-13-20/h4-7,14H,3,8-13H2,1-2H3,(H,19,21)","MKWPQGARVRCFKR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[4385,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66311","COc1ccccc1N1CCN(CC1)C(c1nnnn1CCc1ccccc1)c1ccccc1","InChI=1S/C27H30N6O/c1-34-25-15-9-8-14-24(25)31-18-20-32(21-19-31)26(23-12-6-3-7-13-23)27-28-29-30-33(27)17-16-22-10-4-2-5-11-22/h2-15,26H,16-21H2,1H3","WDORARNTCODBGU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[4413,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66332","CC1(C)CC(=O)c2cc3c(N)c(sc3nc2C1)C(=O)NCc1ccccc1","InChI=1S/C21H21N3O2S/c1-21(2)9-15-13(16(25)10-21)8-14-17(22)18(27-20(14)24-15)19(26)23-11-12-6-4-3-5-7-12/h3-8H,9-11,22H2,1-2H3,(H,23,26)","JFGBOZGTDOPJMV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[4418,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66335","Cc1cc(n(n1)-c1nc(cs1)-c1nnc(SCc2ccc(F)cc2)n1CC=C)C(F)(F)F","InChI=1S/C20H16F4N6S2/c1-3-8-29-17(26-27-19(29)31-10-13-4-6-14(21)7-5-13)15-11-32-18(25-15)30-16(20(22,23)24)9-12(2)28-30/h3-7,9,11H,1,8,10H2,2H3","IDFWCOJJUOSFLV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[4435,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM61020","CCOC(=O)C(=Cc1ccc(cc1)[N+]([O-])=O)C(=O)c1cc(C(C)=O)c(Nc2ccccc2)s1","InChI=1S/C24H20N2O6S/c1-3-32-24(29)20(13-16-9-11-18(12-10-16)26(30)31)22(28)21-14-19(15(2)27)23(33-21)25-17-7-5-4-6-8-17/h4-14,25H,3H2,1-2H3","RRSKMSANYZGFTF-UHFFFAOYSA-N",{"$nulls":3},1896]
[4446,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66424","Cc1cccc(NC(=O)C(=C\\c2cn(CC(=O)NCc3ccco3)c3ccccc23)\\C#N)c1","InChI=1S/C26H22N4O3/c1-18-6-4-7-21(12-18)29-26(32)19(14-27)13-20-16-30(24-10-3-2-9-23(20)24)17-25(31)28-15-22-8-5-11-33-22/h2-13,16H,15,17H2,1H3,(H,28,31)(H,29,32)/b19-13+","DPRBGPIAKRWMHH-CPNJWEJPSA-N",{"$nulls":3},21730]
[4468,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66439","CC(C)CN1C(=S)SC(=Cc2c[nH]nc2-c2ccccc2)C1=O","InChI=1S/C17H17N3OS2/c1-11(2)10-20-16(21)14(23-17(20)22)8-13-9-18-19-15(13)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,18,19)/b14-8-","XVWNZWUBQWZRRP-ZSOIEALJSA-N",{"$nulls":3},40430]
[4478,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66449","COc1ccc2n(CC(=O)Nc3ccc(F)cc3)cc(C(=O)c3ccc(F)cc3)c(=O)c2c1","InChI=1S/C25H18F2N2O4/c1-33-19-10-11-22-20(12-19)25(32)21(24(31)15-2-4-16(26)5-3-15)13-29(22)14-23(30)28-18-8-6-17(27)7-9-18/h2-13H,14H2,1H3,(H,28,30)","LLGXWVCSOAUKJF-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[4501,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66468","CCc1cc2c(cc1OCC(=O)Nc1cccc(C)c1)oc(C)c(-c1cnn(c1)-c1ccccc1)c2=O","InChI=1S/C30H27N3O4/c1-4-21-14-25-27(15-26(21)36-18-28(34)32-23-10-8-9-19(2)13-23)37-20(3)29(30(25)35)22-16-31-33(17-22)24-11-6-5-7-12-24/h5-17H,4,18H2,1-3H3,(H,32,34)","ZVSKRYAWXGFMSC-UHFFFAOYSA-N",{"$nulls":3},66990]
[4518,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66479","COc1cc(OC)cc(c1)C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)Nc1ccc(C)cc1C","InChI=1S/C24H30N2O6/c1-14(2)22(26-23(28)17-10-18(30-5)12-19(11-17)31-6)24(29)32-13-21(27)25-20-8-7-15(3)9-16(20)4/h7-12,14,22H,13H2,1-6H3,(H,25,27)(H,26,28)/t22-/m0/s1","PBYNBWPJPWQWIB-QFIPXVFZSA-N",{"$nulls":3},">350000"]
[4526,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66484","[O-][N+](=O)c1ccccc1CC(=O)OCC(=O)NCc1ccc(Cl)cc1","InChI=1S/C17H15ClN2O5/c18-14-7-5-12(6-8-14)10-19-16(21)11-25-17(22)9-13-3-1-2-4-15(13)20(23)24/h1-8H,9-11H2,(H,19,21)","ZFUVSDMWGDYAKP-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[4551,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66505","Clc1ccc(cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1","InChI=1S/C20H21ClN2O2/c21-16-11-9-15(10-12-16)19(24)22-18-8-4-3-7-17(18)20(25)23-13-5-1-2-6-14-23/h3-4,7-12H,1-2,5-6,13-14H2,(H,22,24)","KFDDPMHUFQEHAL-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[4558,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66510","COc1ccc(C(=O)\\C=C\\C(=O)N(CC(=O)NC2CCCCC2)Cc2cccs2)c(O)c1","InChI=1S/C24H28N2O5S/c1-31-18-9-10-20(22(28)14-18)21(27)11-12-24(30)26(15-19-8-5-13-32-19)16-23(29)25-17-6-3-2-4-7-17/h5,8-14,17,28H,2-4,6-7,15-16H2,1H3,(H,25,29)/b12-11+","GMGQPJXAWKHBEW-VAWYXSNFSA-N",{"$nulls":3},">350000"]
[4584,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM65325","Cc1cc(Sc2ncnc(N)c2[N+]([O-])=O)ncn1","InChI=1S/C9H8N6O2S/c1-5-2-6(12-3-11-5)18-9-7(15(16)17)8(10)13-4-14-9/h2-4H,1H3,(H2,10,13,14)","CRZKXAVOSBDDBX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[4601,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66551","O=C(N1CCN(CC1)S(=O)(=O)c1ccccc1)c1ccccc1","InChI=1S/C17H18N2O3S/c20-17(15-7-3-1-4-8-15)18-11-13-19(14-12-18)23(21,22)16-9-5-2-6-10-16/h1-10H,11-14H2","JHNBMXVLJXBHCM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[4606,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66555","CCN(CC)c1ncnc2n(Cc3ccc(Cl)cc3)ncc12","InChI=1S/C16H18ClN5/c1-3-21(4-2)15-14-9-20-22(16(14)19-11-18-15)10-12-5-7-13(17)8-6-12/h5-9,11H,3-4,10H2,1-2H3","ACOAELCHSHUBFK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[4618,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66566","Clc1cccc(NC(=O)c2ccc(OC(=S)N3CCOCC3)cc2)c1","InChI=1S/C18H17ClN2O3S/c19-14-2-1-3-15(12-14)20-17(22)13-4-6-16(7-5-13)24-18(25)21-8-10-23-11-9-21/h1-7,12H,8-11H2,(H,20,22)","KEWCGDMCMSRWDQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[4638,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66583","COC(=O)C1CSC(N1C(=O)c1ccccc1)c1ccc(Cl)cc1","InChI=1S/C18H16ClNO3S/c1-23-18(22)15-11-24-17(13-7-9-14(19)10-8-13)20(15)16(21)12-5-3-2-4-6-12/h2-10,15,17H,11H2,1H3","GNDPXWULPZLZEP-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[4651,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66593","CCN(C1CCS(=O)(=O)C1)C(=O)CSc1nc2ccccc2n1CC","InChI=1S/C17H23N3O3S2/c1-3-19(13-9-10-25(22,23)12-13)16(21)11-24-17-18-14-7-5-6-8-15(14)20(17)4-2/h5-8,13H,3-4,9-12H2,1-2H3","BGVUKBLCLGQNJV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[4670,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66610","CN(C)c1ccc(NC(=O)C2CCCN(C2)S(=O)(=O)c2ccccc2)cc1","InChI=1S/C20H25N3O3S/c1-22(2)18-12-10-17(11-13-18)21-20(24)16-7-6-14-23(15-16)27(25,26)19-8-4-3-5-9-19/h3-5,8-13,16H,6-7,14-15H2,1-2H3,(H,21,24)","BJEVIAXUQQSMMG-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[4684,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM47455","ClCC(=O)N=c1sccn1Cc1ccccc1Cl","InChI=1S/C12H10Cl2N2OS/c13-7-11(17)15-12-16(5-6-18-12)8-9-3-1-2-4-10(9)14/h1-6H,7-8H2","PYEWRVJBQXWXNV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[4701,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66630","ClCCCC(=O)NC(=S)Nc1ccc(CN2CCOCC2)cc1","InChI=1S/C16H22ClN3O2S/c17-7-1-2-15(21)19-16(23)18-14-5-3-13(4-6-14)12-20-8-10-22-11-9-20/h3-6H,1-2,7-12H2,(H2,18,19,21,23)","HXCOAWZTLDYQBZ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[4718,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM43482","C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](OC(C)=O)[C@@]2(C)[C@H]1C=CC2=O","InChI=1S/C17H20O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8,11-12,14-15H,2,7H2,1,3-4H3/t8-,11+,12-,14-,15+,17+/m1/s1","DCNRYQODUSSOKC-HKHYKUHTSA-N",{"$nulls":3},">350000"]
[4734,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66658","FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)NNC(=O)c1ccc(Cl)cc1","InChI=1S/C16H9ClF6N2O2/c17-12-3-1-8(2-4-12)13(26)24-25-14(27)9-5-10(15(18,19)20)7-11(6-9)16(21,22)23/h1-7H,(H,24,26)(H,25,27)","XUKGZFZNXGUTCP-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[4750,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66674","Oc1ccc(NC(=O)c2cccc(Cl)c2)c2oc(cc(=O)c12)-c1cccc(Cl)c1","InChI=1S/C22H13Cl2NO4/c23-14-5-1-3-12(9-14)19-11-18(27)20-17(26)8-7-16(21(20)29-19)25-22(28)13-4-2-6-15(24)10-13/h1-11,26H,(H,25,28)","IOYQVNCKQRFOEG-UHFFFAOYSA-N",{"$nulls":3},80480]
[4767,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66687","COc1cc2CC(=O)NC(c3ccccc3Br)c2cc1OC","InChI=1S/C17H16BrNO3/c1-21-14-7-10-8-16(20)19-17(12(10)9-15(14)22-2)11-5-3-4-6-13(11)18/h3-7,9,17H,8H2,1-2H3,(H,19,20)","WSMLFFKXPIRZOB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[4784,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66703","CSc1ccc(cc1)C(c1c(C)[nH][nH]c1=O)c1c(C)[nH][nH]c1=O","InChI=1S/C16H14N4O2S/c1-8-12(15(21)19-17-8)14(13-9(2)18-20-16(13)22)10-4-6-11(23-3)7-5-10/h4-7,14H,1-3H3","LWQYYJRRDIHTFU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[4798,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor","Rattus norvegicus","BDBM50136493","CC1=NCCc2c1[nH]c1ccccc21","InChI=1S/C12H12N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,14H,6-7H2,1H3","CWOYLIJQLSNRRN-UHFFFAOYSA-N",">10000"]
[4817,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50531687","COc1cc(ccc1OCC1CC1)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1","InChI=1S/C21H19F3N4O4/c1-30-19-8-14(4-7-18(19)31-10-13-2-3-13)20(29)27-16-9-15(32-21(22,23)24)5-6-17(16)28-12-25-11-26-28/h4-9,11-13H,2-3,10H2,1H3,(H,27,29)","IQNLJJLZIVCGFI-UHFFFAOYSA-N",null,347]
[4830,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50280374","CCc1nc2c(CC(CC2=O)c2ccc(C)cc2C)o1","InChI=1S/C17H19NO2/c1-4-16-18-17-14(19)8-12(9-15(17)20-16)13-6-5-10(2)7-11(13)3/h5-7,12H,4,8-9H2,1-3H3","CPKZCQHJDFSOJT-UHFFFAOYSA-N",null,650]
[4850,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50523871","COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1N1CCOCC1","InChI=1S/C21H20F3N3O5/c1-28-17-6-3-13(11-18(17)29-2)19-25-26-20(31-19)15-12-14(32-21(22,23)24)4-5-16(15)27-7-9-30-10-8-27/h3-6,11-12H,7-10H2,1-2H3","ZZJMPYZXFFRHBS-UHFFFAOYSA-N",null,1180]
[4851,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50531680","COc1cc(ccc1OCC(C)C)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1","InChI=1S/C21H21F3N4O4/c1-13(2)10-31-18-7-4-14(8-19(18)30-3)20(29)27-16-9-15(32-21(22,23)24)5-6-17(16)28-12-25-11-26-28/h4-9,11-13H,10H2,1-3H3,(H,27,29)","PXTYVRGVEDPVEG-UHFFFAOYSA-N",null,1200]
[4878,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553605","CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccccc1OC(C)C","InChI=1S/C26H31N3O4/c1-5-32-26(30)20-17-27-24-19(9-8-12-23(24)31-4)25(20)29-15-13-28(14-16-29)21-10-6-7-11-22(21)33-18(2)3/h6-12,17-18H,5,13-16H2,1-4H3","HAVAKPPMNZJDSY-UHFFFAOYSA-N",null,2300]
[4884,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553628","CCOC(=O)c1cnc2c(OC)cccc2c1-c1ccc(cc1)-c1ccccc1OC","InChI=1S/C26H23NO4/c1-4-31-26(28)21-16-27-25-20(9-7-11-23(25)30-3)24(21)18-14-12-17(13-15-18)19-8-5-6-10-22(19)29-2/h5-16H,4H2,1-3H3","SKFXFTFTNXXXBI-UHFFFAOYSA-N",null,2900]
[4910,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50305871","CC(C)Oc1ccc(cc1)-c1cc2onc(-c3ccccc3)c2c(=O)n1C","InChI=1S/C22H20N2O3/c1-14(2)26-17-11-9-15(10-12-17)18-13-19-20(22(25)24(18)3)21(23-27-19)16-7-5-4-6-8-16/h4-14H,1-3H3","ABROVZYHTDQYCK-UHFFFAOYSA-N",null,">10000"]
[4917,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50503462","C[C@H]1CN(Cc2cc3nc(cc(-c4ccc(F)cc4)c3s2)C(N)=O)C[C@@H](C)O1","InChI=1S/C21H22FN3O2S/c1-12-9-25(10-13(2)27-12)11-16-7-18-20(28-16)17(8-19(24-18)21(23)26)14-3-5-15(22)6-4-14/h3-8,12-13H,9-11H2,1-2H3,(H2,23,26)/t12-,13+","CGOSJAXPXSHPEA-BETUJISGSA-N",null,">30000"]
[4941,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50531679","COc1cc(ccc1OCC(F)(F)F)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1","InChI=1S/C19H14F6N4O4/c1-31-16-6-11(2-5-15(16)32-8-18(20,21)22)17(30)28-13-7-12(33-19(23,24)25)3-4-14(13)29-10-26-9-27-29/h2-7,9-10H,8H2,1H3,(H,28,30)","TYXNXDGXXLIIGR-UHFFFAOYSA-N",null,">30000000"]
[4950,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM196910","COc1cc(cc(F)c1OCC(O)=O)C(O)P(O)(=O)CC[C@@H](N)C(O)=O","InChI=1S/C14H19FNO9P/c1-24-10-5-7(4-8(15)12(10)25-6-11(17)18)14(21)26(22,23)3-2-9(16)13(19)20/h4-5,9,14,21H,2-3,6,16H2,1H3,(H,17,18)(H,19,20)(H,22,23)/t9-,14?/m1/s1","CBQXGRKXMPLXLY-UCWRFOARSA-N",{"$nulls":3},3500]
[4967,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM196934","N[C@H](CCP(O)(=O)Cc1ccc(OCC(O)=O)cc1)C(O)=O","InChI=1S/C13H18NO7P/c14-11(13(17)18)5-6-22(19,20)8-9-1-3-10(4-2-9)21-7-12(15)16/h1-4,11H,5-8,14H2,(H,15,16)(H,17,18)(H,19,20)/t11-/m1/s1","XHNVTQBHEJKWLF-LLVKDONJSA-N",{"$nulls":3},">100000"]
[4989,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50220009","N[C@@H](CCP(O)=O)C(O)=O","InChI=1S/C4H10NO4P/c5-3(4(6)7)1-2-10(8)9/h3,10H,1-2,5H2,(H,6,7)(H,8,9)/t3-/m0/s1","IDBRULKICVRMNG-VKHMYHEASA-N",{"$nulls":3},">500000"]
[5000,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50007548","N[C@@H](CCP(O)(O)=O)C(O)=O","InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1","DDOQBQRIEWHWBT-VKHMYHEASA-N",{"$nulls":3},160000]
[5021,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50283484","COc1ccc(-c2c(C)nn3c(cc(C)nc23)C(F)(F)F)c(F)c1","InChI=1S/C16H13F4N3O/c1-8-6-13(16(18,19)20)23-15(21-8)14(9(2)22-23)11-5-4-10(24-3)7-12(11)17/h4-7H,1-3H3","TWINRHZBWTXHQZ-UHFFFAOYSA-N",{"$nulls":3},1660]
[5033,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50283487","Clc1ccc(Oc2ccc(NC(=O)c3ccccn3)cc2Cl)nc1","InChI=1S/C17H11Cl2N3O2/c18-11-4-7-16(21-10-11)24-15-6-5-12(9-13(15)19)22-17(23)14-3-1-2-8-20-14/h1-10H,(H,22,23)","MZRLPXFGQKQHST-UHFFFAOYSA-N",{"$nulls":3},146]
[5050,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50547302","Oc1cccc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N","InChI=1S/C20H17FN4O/c21-16-5-1-2-6-17(16)24-8-10-25(11-9-24)20-14(12-22)13-23-19-15(20)4-3-7-18(19)26/h1-7,13,26H,8-11H2","AIUNEQKZAPFXQN-UHFFFAOYSA-N",{"$nulls":3},">10000"]
[5054,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50547305","[2H]C([2H])([2H])Oc1cc(F)cc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N","InChI=1S/C21H18F2N4O/c1-28-19-11-15(22)10-16-20(19)25-13-14(12-24)21(16)27-8-6-26(7-9-27)18-5-3-2-4-17(18)23/h2-5,10-11,13H,6-9H2,1H3/i1D3","ILGOICKJVGZODR-FIBGUPNXSA-N",{"$nulls":3},1585]
[5083,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50547326","COc1c(F)ccc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N","InChI=1S/C21H18F2N4O/c1-28-21-17(23)7-6-15-19(21)25-13-14(12-24)20(15)27-10-8-26(9-11-27)18-5-3-2-4-16(18)22/h2-7,13H,8-11H2,1H3","AXRXVDQBZDUWIW-UHFFFAOYSA-N",{"$nulls":3},1800]
[5086,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50547305","[2H]C([2H])([2H])Oc1cc(F)cc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N","InChI=1S/C21H18F2N4O/c1-28-19-11-15(22)10-16-20(19)25-13-14(12-24)21(16)27-8-6-26(7-9-27)18-5-3-2-4-17(18)23/h2-5,10-11,13H,6-9H2,1H3/i1D3","ILGOICKJVGZODR-FIBGUPNXSA-N",{"$nulls":3},990]
[5100,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Microtubule-associated protein tau","Bos taurus","BDBM142850","Cn1c(nc(cc1=O)-c1ncncc1F)N1CCNC(C1)c1ccc(cc1)[N+]#[C-]","InChI=1S/C20H18FN7O/c1-22-14-5-3-13(4-6-14)17-11-28(8-7-24-17)20-26-16(9-18(29)27(20)2)19-15(21)10-23-12-25-19/h3-6,9-10,12,17,24H,7-8,11H2,2H3","KTZPDNBOHASFOR-UHFFFAOYSA-N",null,10.1,{"$nulls":4},6.5,"25.00 C"]
[5118,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM86717","Cc1ccc(O)c(N=Nc2ccccc2)n1","InChI=1S/C12H11N3O/c1-9-7-8-11(16)12(13-9)15-14-10-5-3-2-4-6-10/h2-8,16H,1H3","LOCPVWIREQIGNQ-UHFFFAOYSA-N",">100000"]
[5133,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM564994","COc1ccnc(n1)-n1ncc2CC(CCc2c1=O)c1cccc(OC)c1C","InChI=1S/C21H22N4O3/c1-13-16(5-4-6-18(13)27-2)14-7-8-17-15(11-14)12-23-25(20(17)26)21-22-10-9-19(24-21)28-3/h4-6,9-10,12,14H,7-8,11H2,1-3H3","VEKLPMTVTPNYAD-UHFFFAOYSA-N",null,"<500"]
[5150,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM565012","COc1cccc(C2CCc3c(C2)cnn(-c2ccccn2)c3=O)c1C","InChI=1S/C21H21N3O2/c1-14-17(6-5-7-19(14)26-2)15-9-10-18-16(12-15)13-23-24(21(18)25)20-8-3-4-11-22-20/h3-8,11,13,15H,9-10,12H2,1-2H3","WIICUVRGVRADPA-UHFFFAOYSA-N",null,"<500"]
[5166,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM565041","COc1ccc(F)c(C2CCc3c(C2)cnn(-c2ncccn2)c3=O)c1F","InChI=1S/C19H16F2N4O2/c1-27-15-6-5-14(20)16(17(15)21)11-3-4-13-12(9-11)10-24-25(18(13)26)19-22-7-2-8-23-19/h2,5-8,10-11H,3-4,9H2,1H3","QXSARNOVZDDKOU-UHFFFAOYSA-N",null,"<500"]
[5183,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM565065","Cc1ccc(C2CCc3c(C2)cnn(-c2ccc(cn2)N2CCOCC2)c3=O)c(C)c1","InChI=1S/C25H28N4O2/c1-17-3-6-22(18(2)13-17)19-4-7-23-20(14-19)15-27-29(25(23)30)24-8-5-21(16-26-24)28-9-11-31-12-10-28/h3,5-6,8,13,15-16,19H,4,7,9-12,14H2,1-2H3","NAIHNLMBFHTNHI-UHFFFAOYSA-N",null,"<500"]
[5198,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM565084","COc1cccc([C@@H]2CCc3c(C2)cnn(-c2ncc(C)cn2)c3=O)c1Cl","InChI=1S/C20H19ClN4O2/c1-12-9-22-20(23-10-12)25-19(26)16-7-6-13(8-14(16)11-24-25)15-4-3-5-17(27-2)18(15)21/h3-5,9-11,13H,6-8H2,1-2H3/t13-/m1/s1","URQKFDDRXIGUON-CYBMUJFWSA-N",null,"<500"]
[5216,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM564972","Cc1ccnc(c1)-n1ncc2CC(CCc2c1=O)c1ccc(C)cc1C","InChI=1S/C22H23N3O/c1-14-4-6-19(16(3)10-14)17-5-7-20-18(12-17)13-24-25(22(20)26)21-11-15(2)8-9-23-21/h4,6,8-11,13,17H,5,7,12H2,1-3H3","DLRFKXUEPHORMG-UHFFFAOYSA-N",null,"<500"]
[5233,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM564984","Cc1ccc(C2CCc3c(C2)cnn(-c2nccs2)c3=O)c(C)c1","InChI=1S/C19H19N3OS/c1-12-3-5-16(13(2)9-12)14-4-6-17-15(10-14)11-21-22(18(17)23)19-20-7-8-24-19/h3,5,7-9,11,14H,4,6,10H2,1-2H3","CUJGCOYCGVXISL-UHFFFAOYSA-N",null,750]
[5246,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM564955","COc1cccc(c1)C1CCc2c(C1)cnn(-c1ccccn1)c2=O","InChI=1S/C20H19N3O2/c1-25-17-6-4-5-14(12-17)15-8-9-18-16(11-15)13-22-23(20(18)24)19-7-2-3-10-21-19/h2-7,10,12-13,15H,8-9,11H2,1H3","XWGIYRFGUNPREN-UHFFFAOYSA-N",null,750]
[5266,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50204257","N[C@@]1([C@H]2[C@H]([C@@H]2C(O)=O)[C@H](O)[C@H]1OCc1ccc(Cl)c(Cl)c1)C(O)=O","InChI=1S/C15H15Cl2NO6/c16-6-2-1-5(3-7(6)17)4-24-12-11(19)8-9(13(20)21)10(8)15(12,18)14(22)23/h1-3,8-12,19H,4,18H2,(H,20,21)(H,22,23)/t8-,9-,10-,11-,12+,15+/m0/s1","WNOZOUHFGZKGNT-ANYOLZDRSA-N",null,10500]
[5278,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM564986","Cc1ccc(C2CCc3c(C2)cnn(-c2cn(C)cn2)c3=O)c(C)c1","InChI=1S/C20H22N4O/c1-13-4-6-17(14(2)8-13)15-5-7-18-16(9-15)10-22-24(20(18)25)19-11-23(3)12-21-19/h4,6,8,10-12,15H,5,7,9H2,1-3H3","ZDKFBMURJZCRBA-UHFFFAOYSA-N",null,15500]
[5299,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM50255338","N[C@@H](CCP(O)(=O)C(O)c1ccc(Cl)c(c1)[N+]([O-])=O)C(O)=O","InChI=1S/C11H14ClN2O7P/c12-7-2-1-6(5-9(7)14(18)19)11(17)22(20,21)4-3-8(13)10(15)16/h1-2,5,8,11,17H,3-4,13H2,(H,15,16)(H,20,21)/t8-,11?/m0/s1","QANOEHVMUYBMFS-YMNIQAILSA-N",{"$nulls":3},">100000"]
[5316,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM50552332","Cc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1NC(=O)c1ccc(Cl)o1","InChI=1S/C20H16ClFN2O4/c1-10-8-15(24-19(26)11-4-2-3-5-12(11)20(24)27)13(22)9-14(10)23-18(25)16-6-7-17(21)28-16/h6-9H,2-5H2,1H3,(H,23,25)","FXAOEVFPRRRJBW-UHFFFAOYSA-N",{"$nulls":3},400]
[5326,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM50552330","Cc1ccoc1C(=O)Nc1cc(C)c(cc1F)N1C(=O)c2ccccc2C1=O","InChI=1S/C21H15FN2O4/c1-11-7-8-28-18(11)19(25)23-16-9-12(2)17(10-15(16)22)24-20(26)13-5-3-4-6-14(13)21(24)27/h3-10H,1-2H3,(H,23,25)","WMBNMWWQJFWLEY-UHFFFAOYSA-N",{"$nulls":3},180]
[5349,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM17657","N[C@@H](CCC(O)=O)C(O)=O","InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1","WHUUTDBJXJRKMK-VKHMYHEASA-N",{"$nulls":3},1180]
[5358,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50007548","N[C@@H](CCP(O)(O)=O)C(O)=O","InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1","DDOQBQRIEWHWBT-VKHMYHEASA-N",{"$nulls":3},188000]
[5366,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50207813","NC([C@@H]1[C@H]([C@H]1P(O)(O)=O)c1ccccc1)C(O)=O","InChI=1S/C11H14NO5P/c12-9(11(13)14)8-7(10(8)18(15,16)17)6-4-2-1-3-5-6/h1-5,7-10H,12H2,(H,13,14)(H2,15,16,17)/t7-,8+,9?,10-/m1/s1","DLDXPEVIBANPLO-URJDPWSZSA-N",{"$nulls":3},">1000000"]
[5389,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM50314793","N[C@@H](CCP(O)(=O)CCC(O)=O)C(O)=O","InChI=1S/C7H14NO6P/c8-5(7(11)12)1-3-15(13,14)4-2-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)(H,13,14)/t5-/m0/s1","CIOKCIBFBZYLCA-YFKPBYRVSA-N",{"$nulls":3},89000]
[5399,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM39716","CC(C)N=c1scc(-c2ccco2)n1N=Cc1ccc(O)c(O)c1","InChI=1S/C17H17N3O3S/c1-11(2)19-17-20(13(10-24-17)16-4-3-7-23-16)18-9-12-5-6-14(21)15(22)8-12/h3-11,21-22H,1-2H3","AMRJMRWUBAZBKA-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[5416,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM50308501","CCOC(=O)Nc1nc(c(s1)C(=O)c1ccccc1)-c1ccccc1","InChI=1S/C19H16N2O3S/c1-2-24-19(23)21-18-20-15(13-9-5-3-6-10-13)17(25-18)16(22)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,20,21,23)","VMTZCTQCFMWSEO-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[5438,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66383","N#C\\C(=C/c1ccc(o1)N1CCOCC1)c1ccccc1","InChI=1S/C17H16N2O2/c18-13-15(14-4-2-1-3-5-14)12-16-6-7-17(21-16)19-8-10-20-11-9-19/h1-7,12H,8-11H2/b15-12+","CGIVHWUJFVEVKK-NTCAYCPXSA-N",{"$nulls":3},">350000"]
[5449,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66719","O=C(Nc1cccnc1)\\C=C\\c1ccccc1","InChI=1S/C14H12N2O/c17-14(16-13-7-4-10-15-11-13)9-8-12-5-2-1-3-6-12/h1-11H,(H,16,17)/b9-8+","LIKDGODLSLTXFU-CMDGGOBGSA-N",{"$nulls":3},">350000"]
[5469,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66737","COc1cc2c3CCNC(=O)c3[nH]c2cc1F","InChI=1S/C12H11FN2O2/c1-17-10-4-7-6-2-3-14-12(16)11(6)15-9(7)5-8(10)13/h4-5,15H,2-3H2,1H3,(H,14,16)","XXHZZFPPMBYCIH-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[5482,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66749","CCNC(=O)C(=C\\c1c(nc2c(C)cccn2c1=O)N1CCN(C)CC1)\\C#N","InChI=1S/C20H24N6O2/c1-4-22-19(27)15(13-21)12-16-18(25-10-8-24(3)9-11-25)23-17-14(2)6-5-7-26(17)20(16)28/h5-7,12H,4,8-11H2,1-3H3,(H,22,27)/b15-12+","NZSXRUUBGZSPBF-NTCAYCPXSA-N",{"$nulls":3},">350000"]
[5499,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66762","Cc1cccc[n+]1CC(=O)c1ccccc1","InChI=1S/C14H14NO/c1-12-7-5-6-10-15(12)11-14(16)13-8-3-2-4-9-13/h2-10H,11H2,1H3/q+1","ZPHBROYGBIQXLA-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[5517,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66780","COc1cc(NC(=O)c2cccc(C)c2)ccc1NC(=O)c1cc2ccccc2o1","InChI=1S/C24H20N2O4/c1-15-6-5-8-17(12-15)23(27)25-18-10-11-19(21(14-18)29-2)26-24(28)22-13-16-7-3-4-9-20(16)30-22/h3-14H,1-2H3,(H,25,27)(H,26,28)","CCNCCGSRFQMVNQ-UHFFFAOYSA-N",{"$nulls":3},59420]
[5532,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66793","Cc1ccc(NC2=c3ccccc3=NC2=O)cc1","InChI=1S/C15H12N2O/c1-10-6-8-11(9-7-10)16-14-12-4-2-3-5-13(12)17-15(14)18/h2-9H,1H3,(H,16,17,18)","ZETUOQQJYCOFTD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[5549,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66808","CCCn1c(SCC(=O)NC)nc2sc3CCCc3c2c1=O","InChI=1S/C15H19N3O2S2/c1-3-7-18-14(20)12-9-5-4-6-10(9)22-13(12)17-15(18)21-8-11(19)16-2/h3-8H2,1-2H3,(H,16,19)","GMDXMOHEDDITOY-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[5565,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66823","NS(=O)(=O)c1ccc(NC(=O)c2ccc3CCCCc3c2)cc1","InChI=1S/C17H18N2O3S/c18-23(21,22)16-9-7-15(8-10-16)19-17(20)14-6-5-12-3-1-2-4-13(12)11-14/h5-11H,1-4H2,(H,19,20)(H2,18,21,22)","YKBPBJFIMIJLHK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[5582,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66834","Cc1n(nc2c1c(C)nn(CC(=O)NCCC1=CCCCC1)c2=O)-c1ccc(C)cc1","InChI=1S/C24H29N5O2/c1-16-9-11-20(12-10-16)29-18(3)22-17(2)26-28(24(31)23(22)27-29)15-21(30)25-14-13-19-7-5-4-6-8-19/h7,9-12H,4-6,8,13-15H2,1-3H3,(H,25,30)","XGEVGTGERIWGQD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[5597,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66849","CSc1cccc(NS(=O)(=O)c2cn(C)cn2)c1","InChI=1S/C11H13N3O2S2/c1-14-7-11(12-8-14)18(15,16)13-9-4-3-5-10(6-9)17-2/h3-8,13H,1-2H3","SQYCZNSWAUEYEH-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[5599,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66851","CN(C1CCCN(Cc2ccccc2F)C1)C(=O)CSc1ccncc1","InChI=1S/C20H24FN3OS/c1-23(20(25)15-26-18-8-10-22-11-9-18)17-6-4-12-24(14-17)13-16-5-2-3-7-19(16)21/h2-3,5,7-11,17H,4,6,12-15H2,1H3","FALWUVFFLVTECV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[5629,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66873","O=S(=O)(N1CCC(CC1)N1CCCCC1)c1ccc(cc1)C#N","InChI=1S/C17H23N3O2S/c18-14-15-4-6-17(7-5-15)23(21,22)20-12-8-16(9-13-20)19-10-2-1-3-11-19/h4-7,16H,1-3,8-13H2","REZUHORUFJJWPX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[5632,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66876","COc1ccccc1N1CCN(CC1)S(=O)(=O)CCNC(=O)c1cc(OC)c(OC)c(OC)c1","InChI=1S/C23H31N3O7S/c1-30-19-8-6-5-7-18(19)25-10-12-26(13-11-25)34(28,29)14-9-24-23(27)17-15-20(31-2)22(33-4)21(16-17)32-3/h5-8,15-16H,9-14H2,1-4H3,(H,24,27)","YKZFJMZZOLIMLZ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[5646,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66889","Clc1cccc(CN2[C@@H](CC3CCCCC3)COCCS2(=O)=O)c1","InChI=1S/C18H26ClNO3S/c19-17-8-4-7-16(11-17)13-20-18(12-15-5-2-1-3-6-15)14-23-9-10-24(20,21)22/h4,7-8,11,15,18H,1-3,5-6,9-10,12-14H2/t18-/m0/s1","QCXDGLLNHSMIBP-SFHVURJKSA-N",{"$nulls":3},">350000"]
[5665,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66905","CC(C)c1nnc(NC(=O)COC(=O)\\C=C\\c2ccc(cc2)[N+]([O-])=O)s1","InChI=1S/C16H16N4O5S/c1-10(2)15-18-19-16(26-15)17-13(21)9-25-14(22)8-5-11-3-6-12(7-4-11)20(23)24/h3-8,10H,9H2,1-2H3,(H,17,19,21)/b8-5+","DURGAROOKWMFDS-VMPITWQZSA-N",{"$nulls":3},">350000"]
[5682,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66921","CC1Cc2cc(ccc2O1)C(=O)C1C(N(Cc2cccnc2)C(=O)C1=O)c1cccc(O)c1","InChI=1S/C26H22N2O5/c1-15-10-19-11-18(7-8-21(19)33-15)24(30)22-23(17-5-2-6-20(29)12-17)28(26(32)25(22)31)14-16-4-3-9-27-13-16/h2-9,11-13,15,22-23,29H,10,14H2,1H3","YOEWXZBNIDXWIZ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[5694,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66932","Cc1ccccc1S(=O)(=O)N(CC(O)CN1CCCCC1)c1ccccc1","InChI=1S/C21H28N2O3S/c1-18-10-6-7-13-21(18)27(25,26)23(19-11-4-2-5-12-19)17-20(24)16-22-14-8-3-9-15-22/h2,4-7,10-13,20,24H,3,8-9,14-17H2,1H3","MKBRMWNQVUSPSU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[5715,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM58859","COc1cc(\\C=C\\C(=O)c2ccc(o2)[N+]([O-])=O)ccc1O","InChI=1S/C14H11NO6/c1-20-13-8-9(3-5-11(13)17)2-4-10(16)12-6-7-14(21-12)15(18)19/h2-8,17H,1H3/b4-2+","FVJVZKRVTOCVQA-DUXPYHPUSA-N",{"$nulls":3},">350000"]
[5726,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66957","Cc1ccc(OC(=O)C2CCN(CC2)C(=O)c2ccccc2C)c(Br)c1","InChI=1S/C21H22BrNO3/c1-14-7-8-19(18(22)13-14)26-21(25)16-9-11-23(12-10-16)20(24)17-6-4-3-5-15(17)2/h3-8,13,16H,9-12H2,1-2H3","RGMHCRFTHCKLRB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[5748,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66976","N[C@]1(CC[C@H](C1)C(O)=O)C(O)=O","InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7+/m1/s1","YFYNOWXBIBKGHB-FBCQKBJTSA-N",{"$nulls":3},">350000"]
[5765,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66989","CCN(CC(=O)Nc1c(F)cccc1F)C(=O)\\C=C\\c1ccc(C)cc1","InChI=1S/C20H20F2N2O2/c1-3-24(19(26)12-11-15-9-7-14(2)8-10-15)13-18(25)23-20-16(21)5-4-6-17(20)22/h4-12H,3,13H2,1-2H3,(H,23,25)/b12-11+","SUEJESRVIGEHJW-VAWYXSNFSA-N",{"$nulls":3},">350000"]
[5774,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66998","COc1ccc(cc1S(=O)(=O)N1CCCCC1C)C(=O)Nc1ccc(NC(C)=O)cc1","InChI=1S/C22H27N3O5S/c1-15-6-4-5-13-25(15)31(28,29)21-14-17(7-12-20(21)30-3)22(27)24-19-10-8-18(9-11-19)23-16(2)26/h7-12,14-15H,4-6,13H2,1-3H3,(H,23,26)(H,24,27)","JGEINCVVCAMCGY-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[5798,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67021","CC(C)(C)OC(=O)n1cc(CCO)c2ccccc12","InChI=1S/C15H19NO3/c1-15(2,3)19-14(18)16-10-11(8-9-17)12-6-4-5-7-13(12)16/h4-7,10,17H,8-9H2,1-3H3","VTFPZEDGWAEVDL-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[5806,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67029","C[C@H]1C[C@@H]2O[C@H]2\\C=C\\CC\\C=C(C)\\C(=O)O[C@@H](C)C[C@@H](C)[C@H](O)[C@@H](O)C(=O)C[C@@H](O)C[C@@](C)(O)\\C(C)=C\\C(=C)C1","InChI=1S/C32H50O8/c1-19-13-20(2)15-28-27(40-28)12-10-8-9-11-21(3)31(37)39-24(6)16-22(4)29(35)30(36)26(34)17-25(33)18-32(7,38)23(5)14-19/h10-12,14,20,22,24-25,27-30,33,35-36,38H,1,8-9,13,15-18H2,2-7H3/b12-10+,21-11+,23-14+/t20-,22-,24+,25-,27+,28+,29+,30+,32-/m1/s1","PYXZGBVSQBXPDQ-GYAOARDBSA-N",{"$nulls":3},">350000"]
[5831,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67052","CC(=O)OC[C@]12CC[C@H]3[C@@](C)(CC[C@H]4C(C)(C)CCC[C@]34C)[C@@H]1C[C@@H](O2)C1=CC(=O)O[C@H]1OC(C)=O","InChI=1S/C29H42O7/c1-17(30)33-16-29-13-9-22-27(5)11-7-10-26(3,4)21(27)8-12-28(22,6)23(29)15-20(36-29)19-14-24(32)35-25(19)34-18(2)31/h14,20-23,25H,7-13,15-16H2,1-6H3/t20-,21+,22-,23+,25-,27+,28-,29-/m1/s1","RJZULDNPMPWJSC-RDLBUUDNSA-N",{"$nulls":3},3270]
[5837,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67057","Cc1ccc2N(Cc3ccc(Cl)cc3)C(=O)C(=O)c2c1","InChI=1S/C16H12ClNO2/c1-10-2-7-14-13(8-10)15(19)16(20)18(14)9-11-3-5-12(17)6-4-11/h2-8H,9H2,1H3","VSQRATQPXJILRW-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[5848,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67068","CN(CC(=O)Nc1cccc2ccccc12)C(=O)c1ccc(NC(=O)CC#N)cc1","InChI=1S/C23H20N4O3/c1-27(23(30)17-9-11-18(12-10-17)25-21(28)13-14-24)15-22(29)26-20-8-4-6-16-5-2-3-7-19(16)20/h2-12H,13,15H2,1H3,(H,25,28)(H,26,29)","MZERHWNOMRFKEX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[5865,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67085","Brc1ccccc1C(=O)OCC(=O)NC1CCCCCCC1","InChI=1S/C17H22BrNO3/c18-15-11-7-6-10-14(15)17(21)22-12-16(20)19-13-8-4-2-1-3-5-9-13/h6-7,10-11,13H,1-5,8-9,12H2,(H,19,20)","RIEVBBVOVFWUCF-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[5886,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66231","O=C(NCc1ccc2OCOc2c1)C1CCN(CC1)c1ncccn1","InChI=1S/C18H20N4O3/c23-17(21-11-13-2-3-15-16(10-13)25-12-24-15)14-4-8-22(9-5-14)18-19-6-1-7-20-18/h1-3,6-7,10,14H,4-5,8-9,11-12H2,(H,21,23)","ICMAIRLKWRFQFM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[5898,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66241","Fc1ccc(cc1)-c1nn(cc1C1NC(=O)NC1=O)-c1ccccc1","InChI=1S/C18H13FN4O2/c19-12-8-6-11(7-9-12)15-14(16-17(24)21-18(25)20-16)10-23(22-15)13-4-2-1-3-5-13/h1-10,16H,(H2,20,21,24,25)","MPQWYPLPWGUMJE-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[5917,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66255","CN1CCN(CC1)c1nccc2n(C)cnc12","InChI=1S/C12H17N5/c1-15-5-7-17(8-6-15)12-11-10(3-4-13-12)16(2)9-14-11/h3-4,9H,5-8H2,1-2H3","WPVYJCYRDATDRQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[5931,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66263","COc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1Cl","InChI=1S/C21H24Cl2N4O3/c1-30-19-7-6-15(12-17(19)23)24-20(28)13-26-8-10-27(11-9-26)14-21(29)25-18-5-3-2-4-16(18)22/h2-7,12H,8-11,13-14H2,1H3,(H,24,28)(H,25,29)","CSWNAIQISZHXCX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[5948,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66390","COc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1-c1cc2ccccc2oc1=O","InChI=1S/C23H15Cl2NO4/c1-29-21-12-15(26-22(27)17-8-6-14(24)11-19(17)25)7-9-16(21)18-10-13-4-2-3-5-20(13)30-23(18)28/h2-12H,1H3,(H,26,27)","CPSFTNZKWJWHAO-UHFFFAOYSA-N",{"$nulls":3},102100]
[5966,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66051","Cc1ccc(NC(=O)c2ccc(Cl)c(c2)N2C(=O)C=CC2=O)cc1","InChI=1S/C18H13ClN2O3/c1-11-2-5-13(6-3-11)20-18(24)12-4-7-14(19)15(10-12)21-16(22)8-9-17(21)23/h2-10H,1H3,(H,20,24)","ACSISLCYYDRVIM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[5981,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66416","CCCCOC(=O)c1ccc(o1)S(N)(=O)=O","InChI=1S/C9H13NO5S/c1-2-3-6-14-9(11)7-4-5-8(15-7)16(10,12)13/h4-5H,2-3,6H2,1H3,(H2,10,12,13)","SJGVTEINXDLOPI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[5997,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66276","CCC(=O)c1ccc(N2CCN(CC2)C(=O)Cc2ccccc2)c(F)c1","InChI=1S/C21H23FN2O2/c1-2-20(25)17-8-9-19(18(22)15-17)23-10-12-24(13-11-23)21(26)14-16-6-4-3-5-7-16/h3-9,15H,2,10-14H2,1H3","WZIHESKQJGLETB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[6014,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66289","CCOc1ccccc1NC(=O)Nc1cc(OC)ccc1OC","InChI=1S/C17H20N2O4/c1-4-23-16-8-6-5-7-13(16)18-17(20)19-14-11-12(21-2)9-10-15(14)22-3/h5-11H,4H2,1-3H3,(H2,18,19,20)","AZBSARMVWSOEPF-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[6031,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM34183","CCOC(=O)CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1","InChI=1S/C15H13F3N2O4S/c1-2-24-13(21)9-25(22,23)14-19-11(10-6-4-3-5-7-10)8-12(20-14)15(16,17)18/h3-8H,2,9H2,1H3","OKXFPZQLPGPFOM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[6045,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM55358","CCOC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(C)CC1","InChI=1S/C18H26N2O5S/c1-3-25-18(22)9-8-17(21)19-15-4-6-16(7-5-15)26(23,24)20-12-10-14(2)11-13-20/h4-7,14H,3,8-13H2,1-2H3,(H,19,21)","MKWPQGARVRCFKR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[6064,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66323","COc1cccc(c1)-c1cc(O)c2cc(NC(=O)c3ccc(cc3)N(C)C)ccc2n1","InChI=1S/C25H23N3O3/c1-28(2)19-10-7-16(8-11-19)25(30)26-18-9-12-22-21(14-18)24(29)15-23(27-22)17-5-4-6-20(13-17)31-3/h4-15H,1-3H3,(H,26,30)(H,27,29)","NGOHFZIFIFSACZ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[6077,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM61665","Cc1ccc(NN2C(=O)C=C(C2=O)c2ccc(Cl)cc2)cc1","InChI=1S/C17H13ClN2O2/c1-11-2-8-14(9-3-11)19-20-16(21)10-15(17(20)22)12-4-6-13(18)7-5-12/h2-10,19H,1H3","ONPUYTXDZFOYJX-UHFFFAOYSA-N",{"$nulls":3},4890]
[6097,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66347","COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2ccccn2)c1","InChI=1S/C17H16N2O5S/c1-23-16(21)11-6-7-12(17(22)24-2)13(9-11)19-14(20)10-25-15-5-3-4-8-18-15/h3-9H,10H2,1-2H3,(H,19,20)","OYWBSWZEFCIILJ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[6109,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66424","Cc1cccc(NC(=O)C(=C\\c2cn(CC(=O)NCc3ccco3)c3ccccc23)\\C#N)c1","InChI=1S/C26H22N4O3/c1-18-6-4-7-21(12-18)29-26(32)19(14-27)13-20-16-30(24-10-3-2-9-23(20)24)17-25(31)28-15-22-8-5-11-33-22/h2-13,16H,15,17H2,1H3,(H,28,31)(H,29,32)/b19-13+","DPRBGPIAKRWMHH-CPNJWEJPSA-N",{"$nulls":3},21730]
[6114,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66428","CC(C)CNC(=S)N(Cc1ccco1)Cc1cc2cc3OCCOc3cc2[nH]c1=O","InChI=1S/C22H25N3O4S/c1-14(2)11-23-22(30)25(13-17-4-3-5-27-17)12-16-8-15-9-19-20(29-7-6-28-19)10-18(15)24-21(16)26/h3-5,8-10,14H,6-7,11-13H2,1-2H3,(H,23,30)(H,24,26)","XDLNNJDOXWSUPN-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[6131,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66439","CC(C)CN1C(=S)SC(=Cc2c[nH]nc2-c2ccccc2)C1=O","InChI=1S/C17H17N3OS2/c1-11(2)10-20-16(21)14(23-17(20)22)8-13-9-18-19-15(13)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,18,19)/b14-8-","XVWNZWUBQWZRRP-ZSOIEALJSA-N",{"$nulls":3},40430]
[6157,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66462","COC(=O)CSc1nc(N)c2c3CC(SC(c3sc2n1)c1ccccc1)c1ccccc1","InChI=1S/C24H21N3O2S3/c1-29-18(28)13-30-24-26-22(25)19-16-12-17(14-8-4-2-5-9-14)31-20(15-10-6-3-7-11-15)21(16)32-23(19)27-24/h2-11,17,20H,12-13H2,1H3,(H2,25,26,27)","LTUBZXHKUVACMY-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[6164,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66468","CCc1cc2c(cc1OCC(=O)Nc1cccc(C)c1)oc(C)c(-c1cnn(c1)-c1ccccc1)c2=O","InChI=1S/C30H27N3O4/c1-4-21-14-25-27(15-26(21)36-18-28(34)32-23-10-8-9-19(2)13-23)37-20(3)29(30(25)35)22-16-31-33(17-22)24-11-6-5-7-12-24/h5-17H,4,18H2,1-3H3,(H,32,34)","ZVSKRYAWXGFMSC-UHFFFAOYSA-N",{"$nulls":3},66990]
[6189,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66484","[O-][N+](=O)c1ccccc1CC(=O)OCC(=O)NCc1ccc(Cl)cc1","InChI=1S/C17H15ClN2O5/c18-14-7-5-12(6-8-14)10-19-16(21)11-25-17(22)9-13-3-1-2-4-15(13)20(23)24/h1-8H,9-11H2,(H,19,21)","ZFUVSDMWGDYAKP-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[6197,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM34826","CCOC(=O)N1CCN(Cc2c(O)c3ccccc3c3oc(C)c(C(=O)OCC)c23)CC1","InChI=1S/C24H28N2O6/c1-4-30-23(28)19-15(3)32-22-17-9-7-6-8-16(17)21(27)18(20(19)22)14-25-10-12-26(13-11-25)24(29)31-5-2/h6-9,27H,4-5,10-14H2,1-3H3","ATHDXGIEWLVIJY-UHFFFAOYSA-N",{"$nulls":3},8156]
[6214,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66505","Clc1ccc(cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1","InChI=1S/C20H21ClN2O2/c21-16-11-9-15(10-12-16)19(24)22-18-8-4-3-7-17(18)20(25)23-13-5-1-2-6-14-23/h3-4,7-12H,1-2,5-6,13-14H2,(H,22,24)","KFDDPMHUFQEHAL-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[6237,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66525","CCOC(=O)CNC(=O)N1CCCC(CNS(=O)(=O)Cc2ccccc2)C1","InChI=1S/C18H27N3O5S/c1-2-26-17(22)12-19-18(23)21-10-6-9-16(13-21)11-20-27(24,25)14-15-7-4-3-5-8-15/h3-5,7-8,16,20H,2,6,9-14H2,1H3,(H,19,23)","XXVSKSTZNWFNGV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[6247,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM65325","Cc1cc(Sc2ncnc(N)c2[N+]([O-])=O)ncn1","InChI=1S/C9H8N6O2S/c1-5-2-6(12-3-11-5)18-9-7(15(16)17)8(10)13-4-14-9/h2-4H,1H3,(H2,10,13,14)","CRZKXAVOSBDDBX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[6254,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66541","COc1ccccc1CNC(=O)COc1ccc(cc1)[N+]([O-])=O","InChI=1S/C16H16N2O5/c1-22-15-5-3-2-4-12(15)10-17-16(19)11-23-14-8-6-13(7-9-14)18(20)21/h2-9H,10-11H2,1H3,(H,17,19)","VEHPOZGKXYLZDJ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[6280,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66565","CC(N=Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)c1ccc(NC(C)=O)cc1","InChI=1S/C23H26N8O2/c1-16(18-8-10-20(11-9-18)24-17(2)32)29-30-22-26-21(25-19-6-4-3-5-7-19)27-23(28-22)31-12-14-33-15-13-31/h3-11,16H,12-15H2,1-2H3,(H,24,32)(H,25,26,27,28)","QVKCPOVFXRPWTN-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[6297,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66580","Cc1cc(ccc1F)S(=O)(=O)N1CCCOC1CNC(=O)C(=O)NCc1ccco1","InChI=1S/C19H22FN3O6S/c1-13-10-15(5-6-16(13)20)30(26,27)23-7-3-9-29-17(23)12-22-19(25)18(24)21-11-14-4-2-8-28-14/h2,4-6,8,10,17H,3,7,9,11-12H2,1H3,(H,21,24)(H,22,25)","SZZDUYJMHPVCHO-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[6302,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66584","CN(C)\\C=N\\C(=O)c1cc(c[nH]1)C(=O)c1ccc(Cl)cc1Cl","InChI=1S/C15H13Cl2N3O2/c1-20(2)8-19-15(22)13-5-9(7-18-13)14(21)11-4-3-10(16)6-12(11)17/h3-8,18H,1-2H3/b19-8+","CYXZHEBXLGRQGU-UFWORHAWSA-N",{"$nulls":3},">350000"]
[6330,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66607","Clc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Br)cc1","InChI=1S/C14H9BrClN3O2S/c15-9-5-7-10(8-6-9)22(20,21)19-14-13(16)17-11-3-1-2-4-12(11)18-14/h1-8H,(H,18,19)","GFSLHDOVHKQJQL-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[6334,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66611","CN1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)Nc1nc(C)cs1","InChI=1S/C16H20N4O3S2/c1-12-11-24-16(17-12)18-15(21)13-4-3-5-14(10-13)25(22,23)20-8-6-19(2)7-9-20/h3-5,10-11H,6-9H2,1-2H3,(H,17,18,21)","KPGOQIFBKFXEEQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[6347,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM47455","ClCC(=O)N=c1sccn1Cc1ccccc1Cl","InChI=1S/C12H10Cl2N2OS/c13-7-11(17)15-12-16(5-6-18-12)8-9-3-1-2-4-10(9)14/h1-6H,7-8H2","PYEWRVJBQXWXNV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[6365,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66631","CCC(=O)NC(N)=Nc1nc(C)c2cc(C)c(C)cc2n1","InChI=1S/C15H19N5O/c1-5-13(21)19-14(16)20-15-17-10(4)11-6-8(2)9(3)7-12(11)18-15/h6-7H,5H2,1-4H3,(H3,16,17,18,19,20,21)","YDKSHHRXNDNKDE-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[6380,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66645","CCC(Sc1nc2cc3OCOc3cc2c(=O)n1Cc1ccco1)C(=O)Nc1ccccc1CC","InChI=1S/C26H25N3O5S/c1-3-16-8-5-6-10-19(16)27-24(30)23(4-2)35-26-28-20-13-22-21(33-15-34-22)12-18(20)25(31)29(26)14-17-9-7-11-32-17/h5-13,23H,3-4,14-15H2,1-2H3,(H,27,30)","HOQCBVDPIFERQK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[6397,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66658","FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)NNC(=O)c1ccc(Cl)cc1","InChI=1S/C16H9ClF6N2O2/c17-12-3-1-8(2-4-12)13(26)24-25-14(27)9-5-10(15(18,19)20)7-11(6-9)16(21,22)23/h1-7H,(H,24,26)(H,25,27)","XUKGZFZNXGUTCP-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[6414,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66675","CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc(O)c2c1oc(cc2=O)-c1cccc(Cl)c1","InChI=1S/C26H22ClNO4/c1-26(2,3)17-9-7-15(8-10-17)25(31)28-19-11-12-20(29)23-21(30)14-22(32-24(19)23)16-5-4-6-18(27)13-16/h4-14,29H,1-3H3,(H,28,31)","CPQKMQKBMFHBRX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[6430,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66687","COc1cc2CC(=O)NC(c3ccccc3Br)c2cc1OC","InChI=1S/C17H16BrNO3/c1-21-14-7-10-8-16(20)19-17(12(10)9-15(14)22-2)11-5-3-4-6-13(11)18/h3-7,9,17H,8H2,1-2H3,(H,19,20)","WSMLFFKXPIRZOB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[6445,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66701","CC(c1ccccc1)n1c(CCCO)nc2ccccc12","InChI=1S/C18H20N2O/c1-14(15-8-3-2-4-9-15)20-17-11-6-5-10-16(17)19-18(20)12-7-13-21/h2-6,8-11,14,21H,7,12-13H2,1H3","IXKDNEGPEZPGGZ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[6463,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50305863","COc1cccc(c1)-c1noc2cc(-c3ccccc3)n(C)c(=O)c12","InChI=1S/C20H16N2O3/c1-22-16(13-7-4-3-5-8-13)12-17-18(20(22)23)19(21-25-17)14-9-6-10-15(11-14)24-2/h3-12H,1-2H3","ZWROSNGJNLMLTH-UHFFFAOYSA-N",null,12]
[6480,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553636","CCOC(=O)c1cnc2c(OC)cccc2c1-c1cnc(c(OC)c1)-c1ccccc1OC","InChI=1S/C26H24N2O5/c1-5-33-26(29)19-15-28-25-18(10-8-12-21(25)31-3)23(19)16-13-22(32-4)24(27-14-16)17-9-6-7-11-20(17)30-2/h6-15H,5H2,1-4H3","OPVAGVCSHQRFGD-UHFFFAOYSA-N",null,350]
[6494,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50280374","CCc1nc2c(CC(CC2=O)c2ccc(C)cc2C)o1","InChI=1S/C17H19NO2/c1-4-16-18-17-14(19)8-12(9-15(17)20-16)13-6-5-10(2)7-11(13)3/h5-7,12H,4,8-9H2,1-3H3","CPKZCQHJDFSOJT-UHFFFAOYSA-N",null,676]
[6513,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50531680","COc1cc(ccc1OCC(C)C)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1","InChI=1S/C21H21F3N4O4/c1-13(2)10-31-18-7-4-14(8-19(18)30-3)20(29)27-16-9-15(32-21(22,23)24)5-6-17(16)28-12-25-11-26-28/h4-9,11-13H,10H2,1-3H3,(H,27,29)","PXTYVRGVEDPVEG-UHFFFAOYSA-N",null,1200]
[6525,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50531681","COc1cc(ccc1OCC1CCC1)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1","InChI=1S/C22H21F3N4O4/c1-31-20-9-15(5-8-19(20)32-11-14-3-2-4-14)21(30)28-17-10-16(33-22(23,24)25)6-7-18(17)29-13-26-12-27-29/h5-10,12-14H,2-4,11H2,1H3,(H,28,30)","POHUKMIUKAFPEH-UHFFFAOYSA-N",null,1400]
[6546,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553628","CCOC(=O)c1cnc2c(OC)cccc2c1-c1ccc(cc1)-c1ccccc1OC","InChI=1S/C26H23NO4/c1-4-31-26(28)21-16-27-25-20(9-7-11-23(25)30-3)24(21)18-14-12-17(13-15-18)19-8-5-6-10-22(19)29-2/h5-16H,4H2,1-3H3","SKFXFTFTNXXXBI-UHFFFAOYSA-N",null,2900]
[6557,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553641","CCOC(=O)c1cnc2sccc2c1N1CCN(CC1)c1ccccc1OC","InChI=1S/C21H23N3O3S/c1-3-27-21(25)16-14-22-20-15(8-13-28-20)19(16)24-11-9-23(10-12-24)17-6-4-5-7-18(17)26-2/h4-8,13-14H,3,9-12H2,1-2H3","YBIZBRVLZOIQPS-UHFFFAOYSA-N",null,4500]
[6579,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50503462","C[C@H]1CN(Cc2cc3nc(cc(-c4ccc(F)cc4)c3s2)C(N)=O)C[C@@H](C)O1","InChI=1S/C21H22FN3O2S/c1-12-9-25(10-13(2)27-12)11-16-7-18-20(28-16)17(8-19(24-18)21(23)26)14-3-5-15(22)6-4-14/h3-8,12-13H,9-11H2,1-2H3,(H2,23,26)/t12-,13+","CGOSJAXPXSHPEA-BETUJISGSA-N",null,">30000"]
[6596,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50523875","FC(F)(F)Oc1ccc(c(c1)-c1nnc(o1)-c1ccc2OCCOc2c1)-n1cncn1","InChI=1S/C19H12F3N5O4/c20-19(21,22)31-12-2-3-14(27-10-23-9-24-27)13(8-12)18-26-25-17(30-18)11-1-4-15-16(7-11)29-6-5-28-15/h1-4,7-10H,5-6H2","JULCEJMERFVYQF-UHFFFAOYSA-N",null,">30000"]
[6605,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM50293743","Clc1cccc(NC(=O)c2ccccn2)c1","InChI=1S/C12H9ClN2O/c13-9-4-3-5-10(8-9)15-12(16)11-6-1-2-7-14-11/h1-8H,(H,15,16)","SUYUTNCKIOLMAJ-UHFFFAOYSA-N",{"$nulls":3},235000]
[6613,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM196911","COc1cc(cc(Cl)c1OCC(O)=O)C(O)P(O)(=O)CC[C@@H](N)C(O)=O","InChI=1S/C14H19ClNO9P/c1-24-10-5-7(4-8(15)12(10)25-6-11(17)18)14(21)26(22,23)3-2-9(16)13(19)20/h4-5,9,14,21H,2-3,6,16H2,1H3,(H,17,18)(H,19,20)(H,22,23)/t9-,14?/m1/s1","CITKLHPQBXWCKK-UCWRFOARSA-N",{"$nulls":3},11400]
[6637,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50138781","C[C@@H]1[C@H]([C@H](N)C(O)=O)[C@H]1C(O)=O","InChI=1S/C7H11NO4/c1-2-3(4(2)6(9)10)5(8)7(11)12/h2-5H,8H2,1H3,(H,9,10)(H,11,12)/t2-,3+,4+,5+/m1/s1","ZLKKUEAUAXFRAV-STGXQOJASA-N",{"$nulls":3},">100000"]
[6646,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM26431","N[C@H](CCC(O)=O)C(O)=O","InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1","WHUUTDBJXJRKMK-GSVOUGTGSA-N",{"$nulls":3},">100000"]
[6663,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM17657","N[C@@H](CCC(O)=O)C(O)=O","InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1","WHUUTDBJXJRKMK-VKHMYHEASA-N",{"$nulls":3},1000000]
[6685,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50283478","COc1cc(F)c(cc1Cl)-c1c(C)nn2c(cc(C)nc12)C(F)(F)F","InChI=1S/C16H12ClF4N3O/c1-7-4-13(16(19,20)21)24-15(22-7)14(8(2)23-24)9-5-10(17)12(25-3)6-11(9)18/h4-6H,1-3H3","CEQAJYFDDUETNM-UHFFFAOYSA-N",{"$nulls":3},479]
[6696,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50283483","COc1ccc(cc1)-c1c(C)nn2c(cc(C)nc12)C(F)(F)F","InChI=1S/C16H14F3N3O/c1-9-8-13(16(17,18)19)22-15(20-9)14(10(2)21-22)11-4-6-12(23-3)7-5-11/h4-8H,1-3H3","KEULBIUOYVYXRG-UHFFFAOYSA-N",{"$nulls":3},3300]
[6717,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50547306","FC(F)Oc1cccc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N","InChI=1S/C21H17F3N4O/c22-16-5-1-2-6-17(16)27-8-10-28(11-9-27)20-14(12-25)13-26-19-15(20)4-3-7-18(19)29-21(23)24/h1-7,13,21H,8-11H2","XUXBNCYNKWMDOS-UHFFFAOYSA-N",{"$nulls":3},">10000"]
[6729,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50547314","Fc1ccccc1N1CCN(CC1)c1c(cnc2c(OCC3CCOC3)cccc12)C#N","InChI=1S/C25H25FN4O2/c26-21-5-1-2-6-22(21)29-9-11-30(12-10-29)25-19(14-27)15-28-24-20(25)4-3-7-23(24)32-17-18-8-13-31-16-18/h1-7,15,18H,8-13,16-17H2","XTBDBZIBVDAAEJ-UHFFFAOYSA-N",{"$nulls":3},1300]
[6746,"7e7b_C",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50547327","COc1cc(F)cc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N","InChI=1S/C21H18F2N4O/c1-28-19-11-15(22)10-16-20(19)25-13-14(12-24)21(16)27-8-6-26(7-9-27)18-5-3-2-4-17(18)23/h2-5,10-11,13H,6-9H2,1H3","ILGOICKJVGZODR-UHFFFAOYSA-N",{"$nulls":3},1400]
[6765,"7bh9_B",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,500,{"$nulls":4},5.5,"37.00 C"]
[6779,"7bh9_B",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,810]
[6797,"7bh9_B",0.3,"Spike protein S1","Endochitinase B1 [E177A]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,36000]
[6812,"7cdi_A",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM81508","Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12","InChI=1S/C17H20N8O4/c1-20-8-18-12-10(20)14(26)24(16(28)22(12)3)6-5-7-25-15(27)11-13(19-9-21(11)2)23(4)17(25)29/h8-9H,5-7H2,1-4H3","KEPIKAFUZRKZMT-UHFFFAOYSA-N",null,200]
[6829,"7cdi_A",0.3,"Spike protein S1","Endochitinase B1 [A217G]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,77000]
[6845,"7cdi_A",0.3,"Spike protein S1","Endochitinase B1 [R301K]","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,2160]
[6846,"7cdi_A",0.3,"Spike protein S1","Endochitinase B1 [T138A]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,65000]
[6862,"7cdi_A",0.3,"Spike protein S1","Histone-lysine N-methyltransferase ASH1L","Homo sapiens","BDBM50530712","N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1cccc(c1)C(N)=O)C(O)=O","InChI=1S/C24H27N7O6/c25-15(24(35)36)7-6-13(5-4-12-2-1-3-14(8-12)21(27)34)9-16-18(32)19(33)23(37-16)31-11-30-17-20(26)28-10-29-22(17)31/h1-3,8,10-11,13,15-16,18-19,23,32-33H,6-7,9,25H2,(H2,27,34)(H,35,36)(H2,26,28,29)/t13-,15-,16+,18+,19+,23+/m0/s1","QRKSTGPKAQGBDD-GGPTZFPQSA-N",null,">10000"]
[6879,"7mfu_A",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM81344","CNC(=O)NC(N)=NC","InChI=1S/C4H10N4O/c1-6-3(5)8-4(9)7-2/h1-2H3,(H4,5,6,7,8,9)","KGCIDHJBLPVUNN-UHFFFAOYSA-N",null,500000,{"$nulls":4},5.5]
[6893,"7mfu_A",0.3,"Spike protein S1","Endochitinase B1 [E322A]","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,1370]
[6912,"7mfu_A",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25467","[O-][N+](=O)c1cc2C(=O)c3ccccc3-c2c(c1)[N+]([O-])=O","InChI=1S/C13H6N2O5/c16-13-9-4-2-1-3-8(9)12-10(13)5-7(14(17)18)6-11(12)15(19)20/h1-6H","HUNDKIPOXXHMOS-UHFFFAOYSA-N",null,null,48110,{"$nulls":3},7.5,"30.00 C"]
[6929,"6zfo_A",0.3,"Spike glycoprotein","Histone-lysine N-methyltransferase ASH1L","Homo sapiens","BDM50530712","N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1cccc(c1)C(N)=O)C(O)=O","InChI=1S/C24H27N7O6/c25-15(24(35)36)7-6-13(5-4-12-2-1-3-14(8-12)21(27)34)9-16-18(32)19(33)23(37-16)31-11-30-17-20(26)28-10-29-22(17)31/h1-3,8,10-11,13,15-16,18-19,23,32-33H,6-7,9,25H2,(H2,27,34)(H,35,36)(H2,26,28,29)/t13-,15-,16+,18+,19+,23+/m0/s1","QRKSTGPKAQGBDD-GGPTZFPQSA-N",null,">10000"]
[6942,"6zfo_A",0.3,"Spike glycoprotein","Endochitinase B1 [D175A]","Aspergillus fumigatiaffinis","BDM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,100000]
[6962,"6zfo_A",0.3,"Spike glycoprotein","Endochitinase B1","Aspergillus fumigatiaffinis","BDM81343","CNC(=O)NC(N)=NCCC[C@H](NC(C)=O)C(=O)NC","InChI=1S/C11H22N6O3/c1-7(18)16-8(9(19)13-2)5-4-6-15-10(12)17-11(20)14-3/h8H,4-6H2,1-3H3,(H,13,19)(H,16,18)(H4,12,14,15,17,20)/t8-/m0/s1","IHUKVJKKTBLTEE-QMMMGPOBSA-N",null,81000,{"$nulls":4},5.5]
[6973,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM50575780","Cn1cncc1-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O","InChI=1S/C20H28FN4O4P/c1-24-14-23-11-18(24)17-10-16(21)5-4-15(17)12-25-8-9-30(28,29)20(13-25,19(26)27)6-2-3-7-22/h4-5,10-11,14H,2-3,6-9,12-13,22H2,1H3,(H,26,27)(H,28,29)/t20-/m0/s1","ZBWZIBATIOSFOY-FQEVSTJZSA-N",0.75]
[6995,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50226601","Cn1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C9H16N4O2/c1-13-5-7(12-6-13)4-8(9(14)15)11-3-2-10/h5-6,8,11H,2-4,10H2,1H3,(H,14,15)/t8-/m0/s1","ZIGWTNNVVANKME-QMMMGPOBSA-N",235]
[7012,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM81904","O=C(Cn1nnc(n1)-c1cccs1)N1CCc2ccccc2C1","InChI=1S/C16H15N5OS/c22-15(20-8-7-12-4-1-2-5-13(12)10-20)11-21-18-16(17-19-21)14-6-3-9-23-14/h1-6,9H,7-8,10-11H2","TWSRTYYHXLBOCX-UHFFFAOYSA-N",32000]
[7021,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50089688","CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](CCCNC(N)=N)C(O)=O","InChI=1S/C41H60N10O9/c1-24(2)33-37(56)46-30(20-17-26-15-18-28(52)19-16-26)38(57)51(4)25(3)34(53)47-32(23-27-11-6-5-7-12-27)35(54)44-21-9-8-13-29(36(55)50-33)48-41(60)49-31(39(58)59)14-10-22-45-40(42)43/h5-7,11-12,15-16,18-19,24-25,29-33,52H,8-10,13-14,17,20-23H2,1-4H3,(H,44,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H4,42,43,45)(H2,48,49,60)/t25-,29+,30-,31-,32-,33-/m0/s1","ZDOVFDLIJJGVQM-APNXPRSCSA-N",null,1.5]
[7045,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50395734","NCCCCCC(C[Se]C(=O)CCCc1ccccc1)C(O)=O","InChI=1S/C18H27NO3Se/c19-13-6-2-5-11-16(18(21)22)14-23-17(20)12-7-10-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14,19H2,(H,21,22)","KMMJFXKNWGNVOX-UHFFFAOYSA-N",null,4.1]
[7053,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50395728","CC(C)[C@H](NC(=O)CCc1ccccc1)P(O)(=O)C[C@@H](CCCCCN)C(O)=O","InChI=1S/C21H35N2O5P/c1-16(2)20(23-19(24)13-12-17-9-5-3-6-10-17)29(27,28)15-18(21(25)26)11-7-4-8-14-22/h3,5-6,9-10,16,18,20H,4,7-8,11-15,22H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/t18-,20-/m1/s1","DEWOTLFUKYSXIE-UYAOXDASSA-N",null,5.5]
[7078,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM173904","CC(C)[C@H]1COCCCCCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C29H48N4O6/c1-21(2)26-20-38-17-9-5-3-4-6-10-18-39-23-14-12-22(13-15-23)19-25(27(34)31-26)33-29(37)32-24(28(35)36)11-7-8-16-30/h12-15,21,24-26H,3-11,16-20,30H2,1-2H3,(H,31,34)(H,35,36)(H2,32,33,37)/t24-,25+,26+/m0/s1","QXXFIOYJSRYYSJ-JIMJEQGWSA-N",null,8.8,{"$nulls":4},7.4,"25.00 C"]
[7085,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM109262","NCCCC(Cc1cn(cn1)[C@H]1CC[C@@H](CC1)Oc1ccncc1)C(O)=O","InChI=1S/C20H28N4O3/c21-9-1-2-15(20(25)26)12-16-13-24(14-23-16)17-3-5-18(6-4-17)27-19-7-10-22-11-8-19/h7-8,10-11,13-15,17-18H,1-6,9,12,21H2,(H,25,26)/t15?,17-,18-","WYBOFISFENYTDE-DNLFPKPLSA-N",null,9.8]
[7095,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM326398","CC[C@H](CN)C[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccc1","InChI=1S/C18H23N3O2/c1-2-13(10-19)8-14-9-18(14,17(22)23)16-11-21(12-20-16)15-6-4-3-5-7-15/h3-7,11-14H,2,8-10,19H2,1H3,(H,22,23)/t13-,14-,18+/m0/s1","AUTWIRMPGHMXAD-SUNYJGFJSA-N",null,12]
[7112,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM173908","NCCCCC(NC(=O)N[C@@H]1CCCCCCCCOCCNC1=O)C(O)=O","InChI=1S/C19H36N4O5/c20-11-7-6-10-16(18(25)26)23-19(27)22-15-9-5-3-1-2-4-8-13-28-14-12-21-17(15)24/h15-16H,1-14,20H2,(H,21,24)(H,25,26)(H2,22,23,27)/t15-,16?/m1/s1","DVULGIIJYZWCHK-AAFJCEBUSA-N",null,17,{"$nulls":4},7.4,"25.00 C"]
[7133,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50144336","CC(C)CCn1cnc(c1)C(Cc1cnc(N)c(C)c1)C(O)=O","InChI=1S/C17H24N4O2/c1-11(2)4-5-21-9-15(20-10-21)14(17(22)23)7-13-6-12(3)16(18)19-8-13/h6,8-11,14H,4-5,7H2,1-3H3,(H2,18,19)(H,22,23)","OZYRJZYEHVFCDS-UHFFFAOYSA-N",null,23]
[7145,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM326375","CC(C)(C)OC(=O)N(CCCC1CC1(C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(cc1)[N+]#[C-])C(=O)OC(C)(C)C","InChI=1S/C31H42N4O6/c1-28(2,3)39-25(36)31(24-19-34(20-33-24)23-15-13-22(32-10)14-16-23)18-21(31)12-11-17-35(26(37)40-29(4,5)6)27(38)41-30(7,8)9/h13-16,19-21H,11-12,17-18H2,1-9H3","FLSIKRXJRXEXHX-UHFFFAOYSA-N",null,29]
[7165,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50089741","NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NC1CC2CCC1C2)C(O)=O","InChI=1S/C23H40N4O4/c24-11-5-4-8-18(22(29)30)26-23(31)27-20(13-15-6-2-1-3-7-15)21(28)25-19-14-16-9-10-17(19)12-16/h15-20H,1-14,24H2,(H,25,28)(H,29,30)(H2,26,27,31)/t16?,17?,18-,19?,20+/m0/s1","HKPGTWCJLYFZSN-AXGZHYKBSA-N",null,39]
[7178,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50135938","CC(C)n1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O","InChI=1S/C14H18N4O2/c1-9(2)18-7-12(17-8-18)11(14(19)20)5-10-3-4-13(15)16-6-10/h3-4,6-9,11H,5H2,1-2H3,(H2,15,16)(H,19,20)","FOEIIYROBVUQFU-UHFFFAOYSA-N",null,52]
[7195,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM173897","NCCCC[C@H](NC(=O)N[C@@H]1Cc2ccc(OCCCCOC[C@@H](NC1=O)c1ccccc1)cc2)C(O)=O","InChI=1S/C28H38N4O6/c29-15-5-4-10-23(27(34)35)31-28(36)32-24-18-20-11-13-22(14-12-20)38-17-7-6-16-37-19-25(30-26(24)33)21-8-2-1-3-9-21/h1-3,8-9,11-14,23-25H,4-7,10,15-19,29H2,(H,30,33)(H,34,35)(H2,31,32,36)/t23-,24+,25+/m0/s1","WBXDQFAEOODUOF-ISJGIBHGSA-N",null,71,{"$nulls":4},7.4,"25.00 C"]
[7213,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM326372","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1cccs1","InChI=1S/C25H35N3O6S/c1-23(2,3)33-21(30)28(22(31)34-24(4,5)6)12-8-10-17-14-25(17,20(29)32-7)18-15-27(16-26-18)19-11-9-13-35-19/h9,11,13,15-17H,8,10,12,14H2,1-7H3","YUTZPEWUFUNCCP-UHFFFAOYSA-N",null,100]
[7228,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50197578","C[C@H]1[C@@H]2C[C@H](C[C@@H]1NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C2(C)C","InChI=1S/C25H46N4O5S/c1-16-19-14-18(25(19,2)3)15-21(16)27-23(30)22(13-17-9-5-4-6-10-17)29-35(33,34)28-20(24(31)32)11-7-8-12-26/h16-22,28-29H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)/t16-,18+,19-,20-,21-,22-/m0/s1","CVNHXUCHQVVMEP-QOLIXYQJSA-N",null,130]
[7245,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50197555","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C22H40N4O5S/c1-21(2)15-9-10-22(21,3)18(13-15)24-19(27)17(12-14-7-8-14)26-32(30,31)25-16(20(28)29)6-4-5-11-23/h14-18,25-26H,4-13,23H2,1-3H3,(H,24,27)(H,28,29)/t15-,16+,17+,18+,22+/m1/s1","NMXBBBBKSIKPCR-JVOBEXOSSA-N",null,230]
[7261,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM326337","CC(C)(C)CCn1cnc(c1)[C@]1(C[C@H]1CCCN)C(O)=O","InChI=1S/C16H27N3O2/c1-15(2,3)6-8-19-10-13(18-11-19)16(14(20)21)9-12(16)5-4-7-17/h10-12H,4-9,17H2,1-3H3,(H,20,21)/t12-,16-/m1/s1","OATNNVUVQQXLHN-MLGOLLRUSA-N",null,420]
[7277,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50089697","CC(C)(C)CNC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C21H40N4O4/c1-21(2,3)14-23-18(26)17(13-15-9-5-4-6-10-15)25-20(29)24-16(19(27)28)11-7-8-12-22/h15-17H,4-14,22H2,1-3H3,(H,23,26)(H,27,28)(H2,24,25,29)/t16-,17+/m0/s1","XWDGSLJVTQYSEC-DLBZAZTESA-N",null,690]
[7294,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50197558","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCN)C(O)=O","InChI=1S/C24H44N4O5S/c1-23(2)17-11-12-24(23,3)20(15-17)26-21(29)19(14-16-8-5-4-6-9-16)28-34(32,33)27-18(22(30)31)10-7-13-25/h16-20,27-28H,4-15,25H2,1-3H3,(H,26,29)(H,30,31)/t17-,18+,19+,20+,24+/m1/s1","UFLJZTNISDJMGN-LJTNYMJHSA-N",null,1100]
[7311,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM50575734","OC(=O)C(F)(F)F.NCCCCCC1(CCCCCP1(O)=O)C(O)=O","InChI=1S/C12H24NO4P.C2HF3O2/c13-9-5-1-3-7-12(11(14)15)8-4-2-6-10-18(12,16)17;3-2(4,5)1(6)7/h1-10,13H2,(H,14,15)(H,16,17);(H,6,7)","QMULMHHDRFZRDX-UHFFFAOYSA-N",null,1800]
[7325,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50395738","CC(=O)SCC(CCCCCN)C(O)=O","InChI=1S/C10H19NO3S/c1-8(12)15-7-9(10(13)14)5-3-2-4-6-11/h9H,2-7,11H2,1H3,(H,13,14)","AFSFNKKPRPMFHO-UHFFFAOYSA-N",null,3800]
[7344,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50008270","CCCn1cnc(CC(NCCN)C(O)=O)c1","InChI=1S/C11H20N4O2/c1-2-5-15-7-9(14-8-15)6-10(11(16)17)13-4-3-12/h7-8,10,13H,2-6,12H2,1H3,(H,16,17)","UVTMXVBQOPVNHA-UHFFFAOYSA-N",null,8000]
[7357,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50144343","Nc1cccc(CC(C(O)=O)c2cnc[nH]2)n1","InChI=1S/C11H12N4O2/c12-10-3-1-2-7(15-10)4-8(11(16)17)9-5-13-6-14-9/h1-3,5-6,8H,4H2,(H2,12,15)(H,13,14)(H,16,17)","PAWOJNNZSAZPFM-UHFFFAOYSA-N",null,15000]
[7361,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50144328","OC(=O)C(CC1CNC1)c1cnc[nH]1","InChI=1S/C9H13N3O2/c13-9(14)7(1-6-2-10-3-6)8-4-11-5-12-8/h4-7,10H,1-3H2,(H,11,12)(H,13,14)","QOPLLDRZVJKFKZ-UHFFFAOYSA-N",null,">20000"]
[7378,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50197529","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CC1CCC(N)CC1)C(O)=O","InChI=1S/C28H50N4O5S/c1-27(2)20-13-14-28(27,3)24(17-20)30-25(33)22(15-18-7-5-4-6-8-18)31-38(36,37)32-23(26(34)35)16-19-9-11-21(29)12-10-19/h18-24,31-32H,4-17,29H2,1-3H3,(H,30,33)(H,34,35)/t19?,20-,21?,22+,23+,24+,28+/m1/s1","ZUVKLOWIUQUADU-MMFKTKKRSA-N",null,">30000"]
[7405,"6zp1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDM50401903","O=C(NCCCNc1nc(Nc2cccc(Cn3cncn3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H30N8O/c33-23(19-5-2-6-19)27-11-3-10-26-22-21(18-8-9-18)13-28-24(31-22)30-20-7-1-4-17(12-20)14-32-16-25-15-29-32/h1,4,7,12-13,15-16,18-19H,2-3,5-6,8-11,14H2,(H,27,33)(H2,26,28,30,31)","GDYSINUURRPNLP-UHFFFAOYSA-N",null,88]
[7411,"6zp1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDM50401899","Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25)","YOFJPZPGHXWQJB-UHFFFAOYSA-N",null,170]
[7436,"6zp1_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50226610","CCCn1cnc(C[C@H](CCCN)C(O)=O)c1","InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s1","OTDGPKRCQXSTPV-JTQLQIEISA-N",16]
[7444,"6zp1_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50226613","NCCN[C@@H](Cc1cn(CCc2ccccc2)cn1)C(O)=O","InChI=1S/C16H22N4O2/c17-7-8-18-15(16(21)22)10-14-11-20(12-19-14)9-6-13-4-2-1-3-5-13/h1-5,11-12,15,18H,6-10,17H2,(H,21,22)/t15-/m0/s1","KIBISFXBVFKORC-HNNXBMFYSA-N",140]
[7461,"6zp1_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM81911","COC(=O)c1ccccc1NC(=S)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O","InChI=1S/C25H23N3O4S/c1-16-7-5-8-17-13-18(23(29)27-22(16)17)14-28(15-19-9-6-12-32-19)25(33)26-21-11-4-3-10-20(21)24(30)31-2/h3-13H,14-15H2,1-2H3,(H,26,33)(H,27,29)","FMEZNJBXBHDEHR-UHFFFAOYSA-N",13300]
[7470,"6zp1_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50089758","CC12CCC(C(C1)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](Cc1ccc(N)nc1)C(O)=O)C2(C)C","InChI=1S/C28H43N5O4/c1-27(2)19-11-12-28(27,3)15-22(19)31-24(34)20(13-17-7-5-4-6-8-17)32-26(37)33-21(25(35)36)14-18-9-10-23(29)30-16-18/h9-10,16-17,19-22H,4-8,11-15H2,1-3H3,(H2,29,30)(H,31,34)(H,35,36)(H2,32,33,37)/t19?,20-,21+,22?,28?/m1/s1","IHZPIKIYQNIWSX-XVCFFUJGSA-N",null,1]
[7494,"6zp1_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50089756","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCNC(N)=N)C(O)=O","InChI=1S/C26H46N6O4/c1-25(2)17-11-12-26(25,3)15-20(17)30-21(33)19(14-16-8-5-4-6-9-16)32-24(36)31-18(22(34)35)10-7-13-29-23(27)28/h16-20H,4-15H2,1-3H3,(H,30,33)(H,34,35)(H4,27,28,29)(H2,31,32,36)/t17?,18-,19+,20?,26?/m0/s1","FRONFJPZPPGYAX-WKCFZQPLSA-N",null,4]
[7501,"6zp1_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM50575775","NCCCC[C@]1(CN(Cc2ccc(F)cc2-c2cncnc2)CCP1(O)=O)C(O)=O","InChI=1S/C20H26FN4O4P/c21-17-4-3-15(18(9-17)16-10-23-14-24-11-16)12-25-7-8-30(28,29)20(13-25,19(26)27)5-1-2-6-22/h3-4,9-11,14H,1-2,5-8,12-13,22H2,(H,26,27)(H,28,29)/t20-/m0/s1","OMPACBMICGZNQY-FQEVSTJZSA-N",null,5]
[7527,"6zp1_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM326395","CC[C@@H](CN)CC1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C17H22N4O2/c1-2-12(9-18)7-13-8-17(13,16(22)23)14-10-21(11-20-14)15-5-3-4-6-19-15/h3-6,10-13H,2,7-9,18H2,1H3,(H,22,23)/t12-,13?,17-/m1/s1","BEUXTDNZDSFKGE-HTCLMOQTSA-N",null,8.3]
[7533,"6zp1_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM173918","CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)cc2","InChI=1S/C27H37N5O6/c1-17(2)23-16-37-11-3-4-12-38-20-8-5-18(6-9-20)13-21(25(33)30-23)31-27(36)32-22(26(34)35)14-19-7-10-24(28)29-15-19/h5-10,15,17,21-23H,3-4,11-14,16H2,1-2H3,(H2,28,29)(H,30,33)(H,34,35)(H2,31,32,36)/t21-,22+,23-/m1/s1","ZVEVQADHVAIPND-XPWALMASSA-N",null,9,{"$nulls":4},7.4,"25.00 C"]
[7560,"6zp1_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50089742","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](Cc1ccccc1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C26H40N4O4/c1-25(2)18-12-13-26(25,3)16-21(18)28-22(31)20(15-17-9-5-4-6-10-17)30-24(34)29-19(23(32)33)11-7-8-14-27/h4-6,9-10,18-21H,7-8,11-16,27H2,1-3H3,(H,28,31)(H,32,33)(H2,29,30,34)/t18?,19-,20+,21?,26?/m0/s1","AANQTNMGFYVHSF-HPIYHLJDSA-N",null,15]
[7577,"6zp1_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM326350","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(F)cc1","InChI=1S/C27H36FN3O6/c1-25(2,3)36-23(33)31(24(34)37-26(4,5)6)14-8-9-18-15-27(18,22(32)35-7)21-16-30(17-29-21)20-12-10-19(28)11-13-20/h10-13,16-18H,8-9,14-15H2,1-7H3","MBMPZGJMHDYWBV-UHFFFAOYSA-N",null,21]
[7581,"6zp1_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM109255","C[C@H]1CC[C@@H](CC1)n1cnc(CC(N2CC[C@H](N)C2)C(O)=O)c1","InChI=1S/C17H28N4O2/c1-12-2-4-15(5-3-12)21-10-14(19-11-21)8-16(17(22)23)20-7-6-13(18)9-20/h10-13,15-16H,2-9,18H2,1H3,(H,22,23)/t12-,13-,15-,16?/m0/s1","VWNRFOAGDPZBET-ALLFYKQTSA-N",null,21]
[7594,"6zp1_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM326341","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccccc1","InChI=1S/C27H37N3O6/c1-25(2,3)35-23(32)30(24(33)36-26(4,5)6)15-11-12-19-16-27(19,22(31)34-7)21-17-29(18-28-21)20-13-9-8-10-14-20/h8-10,13-14,17-19H,11-12,15-16H2,1-7H3","UJVDFWJVJPJVJK-UHFFFAOYSA-N",null,27]
[7613,"6zp1_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM326343","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1cccc(C)c1","InChI=1S/C28H39N3O6/c1-19-11-9-13-21(15-19)30-17-22(29-18-30)28(23(32)35-8)16-20(28)12-10-14-31(24(33)36-26(2,3)4)25(34)37-27(5,6)7/h9,11,13,15,17-18,20H,10,12,14,16H2,1-8H3","JKNYRAZXPDRPMD-UHFFFAOYSA-N",null,37]
[7627,"6zp1_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM173900","CCC[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C25H40N4O6/c1-2-7-19-17-34-14-5-6-15-35-20-11-9-18(10-12-20)16-22(23(30)27-19)29-25(33)28-21(24(31)32)8-3-4-13-26/h9-12,19,21-22H,2-8,13-17,26H2,1H3,(H,27,30)(H,31,32)(H2,28,29,33)/t19-,21-,22+/m0/s1","MUSDITPAESWTFE-ILWGZMRPSA-N",null,49,{"$nulls":4},7.4,"25.00 C"]
[7644,"6zp1_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50135933","Nc1ccc(CC(C(O)=O)c2cnc[nH]2)cn1","InChI=1S/C11H12N4O2/c12-10-2-1-7(4-14-10)3-8(11(16)17)9-5-13-6-15-9/h1-2,4-6,8H,3H2,(H2,12,14)(H,13,15)(H,16,17)","IFHWJTOFROTZBD-UHFFFAOYSA-N",null,67]
[7661,"6zp1_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM326402","CCC[C@@H](CN)C[C@@H]1C[C@@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C18H24N4O2/c1-2-5-13(10-19)8-14-9-18(14,17(23)24)15-11-22(12-21-15)16-6-3-4-7-20-16/h3-4,6-7,11-14H,2,5,8-10,19H2,1H3,(H,23,24)/t13-,14-,18+/m1/s1","VWJRFIBJYVHSGS-LBTNJELSSA-N",null,">100.0"]
[7677,"6zp1_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50008275","NCCCC1(CCc2c(C1)ncn2CCC1CCC(CC1)C1CCCCC1)C(O)=O","InChI=1S/C25H41N3O2/c26-15-4-13-25(24(29)30)14-11-23-22(17-25)27-18-28(23)16-12-19-7-9-21(10-8-19)20-5-2-1-3-6-20/h18-21H,1-17,26H2,(H,29,30)","KUVAYHVUNQWSPM-UHFFFAOYSA-N",null,124]
[7693,"6zp1_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM50575755","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccsc2)CCP1(O)=O)C(O)=O","InChI=1S/C14H23N2O4PS.C2HF3O2/c15-5-2-1-4-14(13(17)18)11-16(6-7-21(14,19)20)9-12-3-8-22-10-12;3-2(4,5)1(6)7/h3,8,10H,1-2,4-7,9,11,15H2,(H,17,18)(H,19,20);(H,6,7)","NUTGTRXBOUVQLS-UHFFFAOYSA-N",null,200]
[7710,"6zp1_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50089689","CC[C@@H](C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O","InChI=1S/C45H59N7O10/c1-5-27(2)38-42(58)47-35(23-18-29-14-19-32(53)20-15-29)43(59)52(4)28(3)39(55)48-36(25-30-11-7-6-8-12-30)40(56)46-24-10-9-13-34(41(57)51-38)49-45(62)50-37(44(60)61)26-31-16-21-33(54)22-17-31/h6-8,11-12,14-17,19-22,27-28,34-38,53-54H,5,9-10,13,18,23-26H2,1-4H3,(H,46,56)(H,47,58)(H,48,55)(H,51,57)(H,60,61)(H2,49,50,62)/t27-,28+,34-,35+,36+,37+,38+/m1/s1","KCAKUFQSCADGHZ-JNFDXLRCSA-N",null,400]
[7727,"6zp1_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50008270","CCCn1cnc(CC(NCCN)C(O)=O)c1","InChI=1S/C11H20N4O2/c1-2-5-15-7-9(14-8-15)6-10(11(16)17)13-4-3-12/h7-8,10,13H,2-6,12H2,1H3,(H,16,17)","UVTMXVBQOPVNHA-UHFFFAOYSA-N",null,620]
[7741,"6zp1_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50089745","CC1(C)C2CCC1(C)CC2NC(=O)[C@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C1CCCCC1","InChI=1S/C25H44N4O4/c1-24(2)17-12-13-25(24,3)15-19(17)27-21(30)20(16-9-5-4-6-10-16)29-23(33)28-18(22(31)32)11-7-8-14-26/h16-20H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)(H2,28,29,33)/t17?,18-,19?,20+,25?/m0/s1","JGZDQIFIFHMKDO-QMXHKPFUSA-N",null,1000]
[7760,"6zp1_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50197544","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1ccncc1)C(O)=O","InChI=1S/C27H42N4O5S/c1-26(2)20-9-12-27(26,3)23(17-20)29-24(32)21(15-18-7-5-4-6-8-18)30-37(35,36)31-22(25(33)34)16-19-10-13-28-14-11-19/h10-11,13-14,18,20-23,30-31H,4-9,12,15-17H2,1-3H3,(H,29,32)(H,33,34)/t20-,21+,22+,23+,27+/m1/s1","HDEKKTYMNZXVPF-BXOWXZKISA-N",null,1700]
[7773,"6zp1_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM50575756","COc1ccc(CN2CCP(O)(=O)C(CCCCN)(C2)C(O)=O)cc1","InChI=1S/C17H27N2O5P/c1-24-15-6-4-14(5-7-15)12-19-10-11-25(22,23)17(13-19,16(20)21)8-2-3-9-18/h4-7H,2-3,8-13,18H2,1H3,(H,20,21)(H,22,23)","FXOKEWONEPPFLB-UHFFFAOYSA-N",null,3104]
[7793,"6zp1_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50144341","NC1CCC(CC(C(O)=O)c2cnc[nH]2)CC1","InChI=1S/C12H19N3O2/c13-9-3-1-8(2-4-9)5-10(12(16)17)11-6-14-7-15-11/h6-10H,1-5,13H2,(H,14,15)(H,16,17)","QDWZLLMKOBKAAN-UHFFFAOYSA-N",null,7000]
[7805,"6zp1_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM50575742","NCCCC[C@@]1(CN(Cc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C16H25N2O4P/c17-9-5-4-8-16(15(19)20)13-18(10-11-23(16,21)22)12-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13,17H2,(H,19,20)(H,21,22)/t16-/m1/s1","ZNSVXALGZJWZDW-MRXNPFEDSA-N",null,10700]
[7826,"6zp1_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50197547","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCC(N)=O)C(O)=O","InChI=1S/C25H44N4O6S/c1-24(2)17-12-13-25(24,3)20(15-17)27-22(31)19(14-16-8-5-4-6-9-16)29-36(34,35)28-18(23(32)33)10-7-11-21(26)30/h16-20,28-29H,4-15H2,1-3H3,(H2,26,30)(H,27,31)(H,32,33)/t17-,18+,19+,20+,25+/m1/s1","DKUDMGHEJNAILF-PDGNJTGUSA-N",null,">30000"]
[7843,"6zp1_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50197551","NCCCC[C@H](NS(=O)(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O","InChI=1S/C18H32N4O5S/c19-4-2-1-3-15(17(24)25)22-28(26,27)20-11-16(23)21-18-8-12-5-13(9-18)7-14(6-12)10-18/h12-15,20,22H,1-11,19H2,(H,21,23)(H,24,25)/t12?,13?,14?,15-,18?/m0/s1","HTKDZHKDQXOVDZ-URZJAHPPSA-N",null,">30000"]
[7853,"6zp1_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50197571","NCCCC[C@H](NS(=O)(=O)N[C@H](CC1CCCCC1)C(=O)NC1CC2CCC1C2)C(O)=O","InChI=1S/C22H40N4O5S/c23-11-5-4-8-18(22(28)29)25-32(30,31)26-20(13-15-6-2-1-3-7-15)21(27)24-19-14-16-9-10-17(19)12-16/h15-20,25-26H,1-14,23H2,(H,24,27)(H,28,29)/t16?,17?,18-,19?,20+/m0/s1","PZCYVEWXVUJWOV-AXGZHYKBSA-N",null,75000]
[7860,"6zp1_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDM50401914","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O/c31-22(17-5-3-6-17)25-12-4-11-24-21-20(16-9-10-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-1-2-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BGULRIZNMKERDJ-UHFFFAOYSA-N",null,93]
[7885,"7e86_A",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDM25467","[O-][N+](=O)c1cc2C(=O)c3ccccc3-c2c(c1)[N+]([O-])=O","InChI=1S/C13H6N2O5/c16-13-9-4-2-1-3-8(9)12-10(13)5-7(14(17)18)6-11(12)15(19)20/h1-6H","HUNDKIPOXXHMOS-UHFFFAOYSA-N",null,null,48110,{"$nulls":3},7.5,"30.00 C"]
[7893,"7e86_A",0.3,"Spike protein S1","Endochitinase B1 [E322A]","Aspergillus fumigatiaffinis","BDM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,1370]
[7910,"7e86_A",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDM50173286","CNC(=O)NC(N)=NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",17]
[7933,"7e86_A",0.3,"Spike protein S1","Endochitinase B1 [A217G]","Aspergillus fumigatiaffinis","BDM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,4240]
[7943,"7bno_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDM50401915","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCC2)ncc1C1CC1)C1CCC1","InChI=1S/C22H31N7O/c30-21(16-4-1-5-16)24-11-3-10-23-20-19(15-8-9-15)13-25-22(28-20)27-17-12-26-29(14-17)18-6-2-7-18/h12-16,18H,1-11H2,(H,24,30)(H2,23,25,27,28)","WFLUXPNQSNOSDL-UHFFFAOYSA-N",null,220]
[7964,"7bno_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDM50401927","O=C(NCCCNc1nc(Nc2ccc(cc2)-n2cncn2)ncc1C1CC1)C1CCC1","InChI=1S/C23H28N8O/c32-22(17-3-1-4-17)26-12-2-11-25-21-20(16-5-6-16)13-27-23(30-21)29-18-7-9-19(10-8-18)31-15-24-14-28-31/h7-10,13-17H,1-6,11-12H2,(H,26,32)(H2,25,27,29,30)","UNJQFYGCPVIKPA-UHFFFAOYSA-N",null,150]
[7976,"7bno_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDM50401924","O=C(NCCCNc1nc(Nc2ccc(CN3CCCCC3)nc2)ncc1C1CC1)C1CCC1","InChI=1S/C26H37N7O/c34-25(20-6-4-7-20)28-13-5-12-27-24-23(19-8-9-19)17-30-26(32-24)31-21-10-11-22(29-16-21)18-33-14-2-1-3-15-33/h10-11,16-17,19-20H,1-9,12-15,18H2,(H,28,34)(H2,27,30,31,32)","YMKUQCYWRPVRGE-UHFFFAOYSA-N",null,1200]
[7996,"7dx3_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDM50401905","O=C(NCCCNc1nc(Nc2cccc(c2)-c2cnco2)ncc1C1CC1)C1CCC1","InChI=1S/C24H28N6O2/c31-23(17-4-1-5-17)27-11-3-10-26-22-20(16-8-9-16)13-28-24(30-22)29-19-7-2-6-18(12-19)21-14-25-15-32-21/h2,6-7,12-17H,1,3-5,8-11H2,(H,27,31)(H2,26,28,29,30)","DHEGBWHMLXDRTE-UHFFFAOYSA-N",null,560]
[8009,"7dx3_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDM50122839","CCCCCCCCCCCCCCNC(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C","InChI=1S/C22H45N3O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-23-22(28)24-20(18-21(26)27)19-25(2,3)4/h20H,5-19H2,1-4H3,(H2-,23,24,26,27,28)/t20-/m1/s1","BMZYTDRMCBZVNH-HXUWFJFHSA-N",null,160]
[8026,"7l5b_A",0.3,"Spike protein S4","Endochitinase B1 [M243A]","Aspergillus fumigatiaffinis","BDM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,18000]
[8044,"7l5b_A",0.3,"Spike protein S22","Endochitinase B1 [Y245F]","Aspergillus fumigatiaffinis","BDM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,64000]
[8059,"7l5b_A",0.3,"Spike protein S37","Endochitinase B1","Aspergillus fumigatiaffinis","BDM10849","Cn1cnc2n(C)c(=O)n(C)c(=O)c12","InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3","RYYVLZVUVIJVGH-UHFFFAOYSA-N",null,469000,{"$nulls":4},5.5,"37.00 C"]
[8076,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM39716","CC(C)N=c1scc(-c2ccco2)n1N=Cc1ccc(O)c(O)c1","InChI=1S/C17H17N3O3S/c1-11(2)19-17-20(13(10-24-17)16-4-3-7-23-16)18-9-12-5-6-14(21)15(22)8-12/h3-11,21-22H,1-2H3","AMRJMRWUBAZBKA-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[8092,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66369","Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)Cn1nc(c(Cl)c1C)[N+]([O-])=O","InChI=1S/C18H17Cl3N6O3/c1-9-17(11(3)25(23-9)7-12-4-5-13(19)6-14(12)20)22-15(28)8-26-10(2)16(21)18(24-26)27(29)30/h4-6H,7-8H2,1-3H3,(H,22,28)","RYOSPXVQPHMSSG-UHFFFAOYSA-N",{"$nulls":3},51060]
[8093,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM50308501","CCOC(=O)Nc1nc(c(s1)C(=O)c1ccccc1)-c1ccccc1","InChI=1S/C19H16N2O3S/c1-2-24-19(23)21-18-20-15(13-9-5-3-6-10-13)17(25-18)16(22)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,20,21,23)","VMTZCTQCFMWSEO-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[8109,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66378","OC(CN(Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1)C(F)(F)F","InChI=1S/C17H16ClF3N2O2/c18-13-8-6-12(7-9-13)10-23(11-15(24)17(19,20)21)16(25)22-14-4-2-1-3-5-14/h1-9,15,24H,10-11H2,(H,22,25)","WDWBNWIFPHIYHQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[8126,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66719","O=C(Nc1cccnc1)\\C=C\\c1ccccc1","InChI=1S/C14H12N2O/c17-14(16-13-7-4-10-15-11-13)9-8-12-5-2-1-3-6-12/h1-11H,(H,16,17)/b9-8+","LIKDGODLSLTXFU-CMDGGOBGSA-N",{"$nulls":3},">350000"]
[8141,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66733","COc1ccc(NC(=O)CN2CCC(CC2)NC(=O)c2ccc(OC)cc2)cc1","InChI=1S/C22H27N3O4/c1-28-19-7-3-16(4-8-19)22(27)24-18-11-13-25(14-12-18)15-21(26)23-17-5-9-20(29-2)10-6-17/h3-10,18H,11-15H2,1-2H3,(H,23,26)(H,24,27)","KBTKFJGPBVXKNZ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[8159,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66749","CCNC(=O)C(=C\\c1c(nc2c(C)cccn2c1=O)N1CCN(C)CC1)\\C#N","InChI=1S/C20H24N6O2/c1-4-22-19(27)15(13-21)12-16-18(25-10-8-24(3)9-11-25)23-17-14(2)6-5-7-26(17)20(16)28/h5-7,12H,4,8-11H2,1-3H3,(H,22,27)/b15-12+","NZSXRUUBGZSPBF-NTCAYCPXSA-N",{"$nulls":3},">350000"]
[8176,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66762","Cc1cccc[n+]1CC(=O)c1ccccc1","InChI=1S/C14H14NO/c1-12-7-5-6-10-15(12)11-14(16)13-8-3-2-4-9-13/h2-10H,11H2,1H3/q+1","ZPHBROYGBIQXLA-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[8189,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66775","CN1CCc2[nH]c3c(C)cccc3c2C1","InChI=1S/C13H16N2/c1-9-4-3-5-10-11-8-15(2)7-6-12(11)14-13(9)10/h3-5,14H,6-8H2,1-2H3","XSHXIKHZZUQAFC-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[8209,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66793","Cc1ccc(NC2=c3ccccc3=NC2=O)cc1","InChI=1S/C15H12N2O/c1-10-6-8-11(9-7-10)16-14-12-4-2-3-5-13(12)17-15(14)18/h2-9H,1H3,(H,16,17,18)","ZETUOQQJYCOFTD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[8221,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66803","CC12CCCCC1NS(=O)(=O)OC2","InChI=1S/C8H15NO3S/c1-8-5-3-2-4-7(8)9-13(10,11)12-6-8/h7,9H,2-6H2,1H3","VKWQOBHCSKKATR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[8242,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66823","NS(=O)(=O)c1ccc(NC(=O)c2ccc3CCCCc3c2)cc1","InChI=1S/C17H18N2O3S/c18-23(21,22)16-9-7-15(8-10-16)19-17(20)14-6-5-12-3-1-2-4-13(12)11-14/h5-11H,1-4H2,(H,19,20)(H2,18,21,22)","YKBPBJFIMIJLHK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[8253,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66829","Cc1cc(on1)C(=O)N1CCN(CC1)c1ccc(F)cc1","InChI=1S/C15H16FN3O2/c1-11-10-14(21-17-11)15(20)19-8-6-18(7-9-19)13-4-2-12(16)3-5-13/h2-5,10H,6-9H2,1H3","KKSFJTWXXCTUCC-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[8275,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66850","Cn1c2ccccc2c2cnn(CC(=O)NCCCN3CCN(CC3)c3ccccc3F)c(=O)c12","InChI=1S/C26H29FN6O2/c1-30-22-9-4-2-7-19(22)20-17-29-33(26(35)25(20)30)18-24(34)28-11-6-12-31-13-15-32(16-14-31)23-10-5-3-8-21(23)27/h2-5,7-10,17H,6,11-16,18H2,1H3,(H,28,34)","LSWUAYMNJOSKKQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[8292,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66859","COc1ccc(cc1)N1CCN(CC1)C(=O)C1CCN(CC1)C(=O)c1ccc(cc1)[N+]([O-])=O","InChI=1S/C24H28N4O5/c1-33-22-8-6-20(7-9-22)25-14-16-27(17-15-25)24(30)19-10-12-26(13-11-19)23(29)18-2-4-21(5-3-18)28(31)32/h2-9,19H,10-17H2,1H3","XRSFMEVMEGOVKV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[8301,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66868","[O-][N+](=O)c1ccc(\\C=C(/NC(=O)c2ccco2)C(=O)NCc2ccco2)cc1","InChI=1S/C19H15N3O6/c23-18(20-12-15-3-1-9-27-15)16(21-19(24)17-4-2-10-28-17)11-13-5-7-14(8-6-13)22(25)26/h1-11H,12H2,(H,20,23)(H,21,24)/b16-11-","KYSCXTOUWVLXCF-WJDWOHSUSA-N",{"$nulls":3},">350000"]
[8325,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66891","CCCN1CCN(CCCNC(=O)CCCn2nc(C)c3sc4ccccc4c3c2=O)CC1","InChI=1S/C25H35N5O2S/c1-3-12-28-15-17-29(18-16-28)13-7-11-26-22(31)10-6-14-30-25(32)23-20-8-4-5-9-21(20)33-24(23)19(2)27-30/h4-5,8-9H,3,6-7,10-18H2,1-2H3,(H,26,31)","QJRFZGJEBBVMQS-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[8333,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66897","Brc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NCC1CCCO1","InChI=1S/C17H23BrN2O4S/c18-14-3-5-16(6-4-14)25(22,23)20-9-7-13(8-10-20)17(21)19-12-15-2-1-11-24-15/h3-6,13,15H,1-2,7-12H2,(H,19,21)","LIWYNOZMEPWZLB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[8342,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66905","CC(C)c1nnc(NC(=O)COC(=O)\\C=C\\c2ccc(cc2)[N+]([O-])=O)s1","InChI=1S/C16H16N4O5S/c1-10(2)15-18-19-16(26-15)17-13(21)9-25-14(22)8-5-11-3-6-12(7-4-11)20(23)24/h3-8,10H,9H2,1-2H3,(H,17,19,21)/b8-5+","DURGAROOKWMFDS-VMPITWQZSA-N",{"$nulls":3},">350000"]
[8359,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66921","CC1Cc2cc(ccc2O1)C(=O)C1C(N(Cc2cccnc2)C(=O)C1=O)c1cccc(O)c1","InChI=1S/C26H22N2O5/c1-15-10-19-11-18(7-8-21(19)33-15)24(30)22-23(17-5-2-6-20(29)12-17)28(26(32)25(22)31)14-16-4-3-9-27-13-16/h2-9,11-13,15,22-23,29H,10,14H2,1H3","YOEWXZBNIDXWIZ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[8381,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66942","CCn1c(SCC(=O)Nc2ccc(cc2)C(C)=O)nc2c3ccccc3[nH]c2c1=O","InChI=1S/C22H20N4O3S/c1-3-26-21(29)20-19(16-6-4-5-7-17(16)24-20)25-22(26)30-12-18(28)23-15-10-8-14(9-11-15)13(2)27/h4-11,24H,3,12H2,1-2H3,(H,23,28)","VJONUUGXFFUDMV-UHFFFAOYSA-N",{"$nulls":3},13000]
[8392,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM58859","COc1cc(\\C=C\\C(=O)c2ccc(o2)[N+]([O-])=O)ccc1O","InChI=1S/C14H11NO6/c1-20-13-8-9(3-5-11(13)17)2-4-10(16)12-6-7-14(21-12)15(18)19/h2-8,17H,1H3/b4-2+","FVJVZKRVTOCVQA-DUXPYHPUSA-N",{"$nulls":3},">350000"]
[8412,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66966","COc1ccc(NC(=O)CN(C)C(=O)\\C=C\\c2ccc(cc2)S(=O)(=O)N2CCCCCC2)cc1","InChI=1S/C25H31N3O5S/c1-27(19-24(29)26-21-10-12-22(33-2)13-11-21)25(30)16-9-20-7-14-23(15-8-20)34(31,32)28-17-5-3-4-6-18-28/h7-16H,3-6,17-19H2,1-2H3,(H,26,29)/b16-9+","YKIWOYNIBWQAOT-CXUHLZMHSA-N",{"$nulls":3},">350000"]
[8425,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66976","N[C@]1(CC[C@H](C1)C(O)=O)C(O)=O","InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7+/m1/s1","YFYNOWXBIBKGHB-FBCQKBJTSA-N",{"$nulls":3},">350000"]
[8442,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66989","CCN(CC(=O)Nc1c(F)cccc1F)C(=O)\\C=C\\c1ccc(C)cc1","InChI=1S/C20H20F2N2O2/c1-3-24(19(26)12-11-15-9-7-14(2)8-10-15)13-18(25)23-20-16(21)5-4-6-17(20)22/h4-12H,3,13H2,1-2H3,(H,23,25)/b12-11+","SUEJESRVIGEHJW-VAWYXSNFSA-N",{"$nulls":3},">350000"]
[8461,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM67007","COc1ccccc1C(=O)NCCC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1","InChI=1S/C21H24ClN3O5S/c1-30-19-5-3-2-4-18(19)21(27)23-11-10-20(26)24-12-14-25(15-13-24)31(28,29)17-8-6-16(22)7-9-17/h2-9H,10-15H2,1H3,(H,23,27)","VZRPHEVSSUPCIS-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[8475,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM67021","CC(C)(C)OC(=O)n1cc(CCO)c2ccccc12","InChI=1S/C15H19NO3/c1-15(2,3)19-14(18)16-10-11(8-9-17)12-6-4-5-7-13(12)16/h4-7,10,17H,8-9H2,1-3H3","VTFPZEDGWAEVDL-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[8492,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM165","CNC(C)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC1CCCc2ccccc12","InChI=1S/C24H36N4O3/c1-15(2)21(27-22(29)16(3)25-4)24(31)28-14-8-13-20(28)23(30)26-19-12-7-10-17-9-5-6-11-18(17)19/h5-6,9,11,15-16,19-21,25H,7-8,10,12-14H2,1-4H3,(H,26,30)(H,27,29)","POKZVJVCUGVHME-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[8508,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM67052","CC(=O)OC[C@]12CC[C@H]3[C@@](C)(CC[C@H]4C(C)(C)CCC[C@]34C)[C@@H]1C[C@@H](O2)C1=CC(=O)O[C@H]1OC(C)=O","InChI=1S/C29H42O7/c1-17(30)33-16-29-13-9-22-27(5)11-7-10-26(3,4)21(27)8-12-28(22,6)23(29)15-20(36-29)19-14-24(32)35-25(19)34-18(2)31/h14,20-23,25H,7-13,15-16H2,1-6H3/t20-,21+,22-,23+,25-,27+,28-,29-/m1/s1","RJZULDNPMPWJSC-RDLBUUDNSA-N",{"$nulls":3},3270]
[8524,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM67067","C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccccc2)Oc2c(NC(=O)c3cc(C)nn3C)cccc2C1=O","InChI=1S/C28H35N5O6S/c1-18-15-33(20(3)17-34)28(36)22-12-9-13-23(29-27(35)24-14-19(2)30-32(24)5)26(22)39-25(18)16-31(4)40(37,38)21-10-7-6-8-11-21/h6-14,18,20,25,34H,15-17H2,1-5H3,(H,29,35)/t18-,20+,25+/m1/s1","URKRDHSWJLVIPT-AOUJKTHWSA-N",{"$nulls":3},">350000"]
[8541,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM67084","COc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1","InChI=1S/C22H22N4O8S/c1-25-19(23)18(20(28)26(2)22(25)30)17(27)12-34-21(29)13-5-4-6-16(11-13)35(31,32)24-14-7-9-15(33-3)10-8-14/h4-11,24H,12,23H2,1-3H3","SSTFYCWUVJWXMW-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[8558,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66228","CCOc1ccc2nc(NCCNC(=O)Nc3cccc(C)c3)c(cc2c1)C#N","InChI=1S/C22H23N5O2/c1-3-29-19-7-8-20-16(13-19)12-17(14-23)21(27-20)24-9-10-25-22(28)26-18-6-4-5-15(2)11-18/h4-8,11-13H,3,9-10H2,1-2H3,(H,24,27)(H2,25,26,28)","DZAOCAVTPRLLJV-UHFFFAOYSA-N",{"$nulls":3},35690]
[8572,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66238","N#CN=C1SCCS1","InChI=1S/C4H4N2S2/c5-3-6-4-7-1-2-8-4/h1-2H2","VKWDKDAWFFPNDD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[8591,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66252","Cc1ccc(cc1)S(=O)(=O)NCC(=O)OC1CCOC1=O","InChI=1S/C13H15NO6S/c1-9-2-4-10(5-3-9)21(17,18)14-8-12(15)20-11-6-7-19-13(11)16/h2-5,11,14H,6-8H2,1H3","FXHQSACKEFQWDT-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[8604,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM37054","Clc1ccc2oc(SC3=CS(=O)(=O)c4ccccc34)nc2c1","InChI=1S/C15H8ClNO3S2/c16-9-5-6-12-11(7-9)17-15(20-12)21-13-8-22(18,19)14-4-2-1-3-10(13)14/h1-8H","AFYRYLBMABOAHJ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[8608,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66263","COc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1Cl","InChI=1S/C21H24Cl2N4O3/c1-30-19-7-6-15(12-17(19)23)24-20(28)13-26-8-10-27(11-9-26)14-21(29)25-18-5-3-2-4-16(18)22/h2-7,12H,8-11,13-14H2,1H3,(H,24,28)(H,25,29)","CSWNAIQISZHXCX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[8625,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66390","COc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1-c1cc2ccccc2oc1=O","InChI=1S/C23H15Cl2NO4/c1-29-21-12-15(26-22(27)17-8-6-14(24)11-19(17)25)7-9-16(21)18-10-13-4-2-3-5-20(13)30-23(18)28/h2-12H,1H3,(H,26,27)","CPSFTNZKWJWHAO-UHFFFAOYSA-N",{"$nulls":3},102100]
[8652,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66410","CC(CCc1ccccc1)NC(=O)c1ccc(NC(=O)c2ccccc2)cc1","InChI=1S/C24H24N2O2/c1-18(12-13-19-8-4-2-5-9-19)25-23(27)21-14-16-22(17-15-21)26-24(28)20-10-6-3-7-11-20/h2-11,14-18H,12-13H2,1H3,(H,25,27)(H,26,28)","UNCXONLHAFMEHP-UHFFFAOYSA-N",{"$nulls":3},43210]
[8658,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66416","CCCCOC(=O)c1ccc(o1)S(N)(=O)=O","InChI=1S/C9H13NO5S/c1-2-3-6-14-9(11)7-4-5-8(15-7)16(10,12)13/h4-5H,2-3,6H2,1H3,(H2,10,12,13)","SJGVTEINXDLOPI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[8684,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66284","CCS(=O)(=O)Nc1ccc(Cc2ccncc2)cc1","InChI=1S/C14H16N2O2S/c1-2-19(17,18)16-14-5-3-12(4-6-14)11-13-7-9-15-10-8-13/h3-10,16H,2,11H2,1H3","URHCPLLLYQZREH-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[8691,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66289","CCOc1ccccc1NC(=O)Nc1cc(OC)ccc1OC","InChI=1S/C17H20N2O4/c1-4-23-16-8-6-5-7-13(16)18-17(20)19-14-11-12(21-2)9-10-15(14)22-3/h5-11H,4H2,1-3H3,(H2,18,19,20)","AZBSARMVWSOEPF-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[8701,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66296","OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(Cl)cn1","InChI=1S/C14H7ClN2O4/c15-8-2-4-11(16-6-8)17-12(18)9-3-1-7(14(20)21)5-10(9)13(17)19/h1-6H,(H,20,21)","OPRMPNAELVZZKQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[8724,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66310","COC(=O)c1ccc(NC(=O)C2CN(C(=O)C2)c2ccc(C)cc2)cc1","InChI=1S/C20H20N2O4/c1-13-3-9-17(10-4-13)22-12-15(11-18(22)23)19(24)21-16-7-5-14(6-8-16)20(25)26-2/h3-10,15H,11-12H2,1-2H3,(H,21,24)","OQGVXBMTGWLGKA-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[8741,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66323","COc1cccc(c1)-c1cc(O)c2cc(NC(=O)c3ccc(cc3)N(C)C)ccc2n1","InChI=1S/C25H23N3O3/c1-28(2)19-10-7-16(8-11-19)25(30)26-18-9-12-22-21(14-18)24(29)15-23(27-22)17-5-4-6-20(13-17)31-3/h4-15H,1-3H3,(H,26,30)(H,27,29)","NGOHFZIFIFSACZ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[8749,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66329","Clc1ccccc1\\C=C(/N1C=CC=CC1=C(C#N)C#N)C(=O)c1ccccc1","InChI=1S/C23H14ClN3O/c24-20-11-5-4-10-18(20)14-22(23(28)17-8-2-1-3-9-17)27-13-7-6-12-21(27)19(15-25)16-26/h1-14H/b22-14-","BERRLCGUJHDHIO-HMAPJEAMSA-N",{"$nulls":3},7337]
[8774,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66347","COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2ccccn2)c1","InChI=1S/C17H16N2O5S/c1-23-16(21)11-6-7-12(17(22)24-2)13(9-11)19-14(20)10-25-15-5-3-4-8-18-15/h3-9H,10H2,1-2H3,(H,19,20)","OYWBSWZEFCIILJ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[8781,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66351","[O-][N+](=O)c1cc(ccc1S(=O)CC(=O)Oc1ccccc1)C(F)(F)F","InChI=1S/C15H10F3NO5S/c16-15(17,18)10-6-7-13(12(8-10)19(21)22)25(23)9-14(20)24-11-4-2-1-3-5-11/h1-8H,9H2","DWRLEMDHSFGCKK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[8807,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66438","CCOC(=O)Cc1csc(N=Cc2c(O)n(-c3ccc(C)c(C)c3)c(=O)c3ccccc23)n1","InChI=1S/C25H23N3O4S/c1-4-32-22(29)12-17-14-33-25(27-17)26-13-21-19-7-5-6-8-20(19)23(30)28(24(21)31)18-10-9-15(2)16(3)11-18/h5-11,13-14,31H,4,12H2,1-3H3","JOQRWJPVRRWIHP-UHFFFAOYSA-N",{"$nulls":3},9230]
[8824,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66454","COC(=O)c1ccc(Cl)cc1NC(=O)\\C=C\\c1ccc(C)o1","InChI=1S/C16H14ClNO4/c1-10-3-5-12(22-10)6-8-15(19)18-14-9-11(17)4-7-13(14)16(20)21-2/h3-9H,1-2H3,(H,18,19)/b8-6+","WBCVAVNLRBCOOQ-SOFGYWHQSA-N",{"$nulls":3},">350000"]
[8829,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66458","CCCCNC(=S)NN=Cc1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)c(OC)c1","InChI=1S/C24H32N4O3S/c1-6-7-10-25-24(32)28-26-14-19-8-9-20(21(13-19)30-5)31-15-22(29)27-23-17(3)11-16(2)12-18(23)4/h8-9,11-14H,6-7,10,15H2,1-5H3,(H,27,29)(H2,25,28,32)","WTXIOUFQKMHTAM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[8841,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66468","CCc1cc2c(cc1OCC(=O)Nc1cccc(C)c1)oc(C)c(-c1cnn(c1)-c1ccccc1)c2=O","InChI=1S/C30H27N3O4/c1-4-21-14-25-27(15-26(21)36-18-28(34)32-23-10-8-9-19(2)13-23)37-20(3)29(30(25)35)22-16-31-33(17-22)24-11-6-5-7-12-24/h5-17H,4,18H2,1-3H3,(H,32,34)","ZVSKRYAWXGFMSC-UHFFFAOYSA-N",{"$nulls":3},66990]
[8861,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66481","CCOc1ccccc1C(=O)N[C@@H](C(C)C)C(=O)OCc1cc(cc2COCOc12)[N+]([O-])=O","InChI=1S/C23H26N2O8/c1-4-31-19-8-6-5-7-18(19)22(26)24-20(14(2)3)23(27)32-12-16-10-17(25(28)29)9-15-11-30-13-33-21(15)16/h5-10,14,20H,4,11-13H2,1-3H3,(H,24,26)/t20-/m0/s1","ROIZWNWSZNFMGO-FQEVSTJZSA-N",{"$nulls":3},">350000"]
[8874,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM34826","CCOC(=O)N1CCN(Cc2c(O)c3ccccc3c3oc(C)c(C(=O)OCC)c23)CC1","InChI=1S/C24H28N2O6/c1-4-30-23(28)19-15(3)32-22-17-9-7-6-8-16(17)21(27)18(20(19)22)14-25-10-12-26(13-11-25)24(29)31-5-2/h6-9,27H,4-5,10-14H2,1-3H3","ATHDXGIEWLVIJY-UHFFFAOYSA-N",{"$nulls":3},8156]
[8891,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66505","Clc1ccc(cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1","InChI=1S/C20H21ClN2O2/c21-16-11-9-15(10-12-16)19(24)22-18-8-4-3-7-17(18)20(25)23-13-5-1-2-6-14-23/h3-4,7-12H,1-2,5-6,13-14H2,(H,22,24)","KFDDPMHUFQEHAL-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[8909,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66520","FC(F)(F)c1ccc(C=NNC(=O)CCNc2n[nH]c(=O)[nH]c2=O)cc1","InChI=1S/C14H13F3N6O3/c15-14(16,17)9-3-1-8(2-4-9)7-19-21-10(24)5-6-18-11-12(25)20-13(26)23-22-11/h1-4,7H,5-6H2,(H,18,22)(H,21,24)(H2,20,23,25,26)/b19-7+","UILKIXZJDRIQCS-FBCYGCLPSA-N",{"$nulls":3},">350000"]
[8924,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM65325","Cc1cc(Sc2ncnc(N)c2[N+]([O-])=O)ncn1","InChI=1S/C9H8N6O2S/c1-5-2-6(12-3-11-5)18-9-7(15(16)17)8(10)13-4-14-9/h2-4H,1H3,(H2,10,13,14)","CRZKXAVOSBDDBX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[8940,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66550","CC(C)Oc1ccccc1C(=O)NC(CO)C(O)=O","InChI=1S/C13H17NO5/c1-8(2)19-11-6-4-3-5-9(11)12(16)14-10(7-15)13(17)18/h3-6,8,10,15H,7H2,1-2H3,(H,14,16)(H,17,18)","MUJFRZPEOVSUJB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[8957,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66565","CC(N=Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)c1ccc(NC(C)=O)cc1","InChI=1S/C23H26N8O2/c1-16(18-8-10-20(11-9-18)24-17(2)32)29-30-22-26-21(25-19-6-4-3-5-7-19)27-23(28-22)31-12-14-33-15-13-31/h3-11,16H,12-15H2,1-2H3,(H,24,32)(H,25,26,27,28)","QVKCPOVFXRPWTN-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[8972,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66578","NC(=O)CCSC(=S)N1CCOCC1","InChI=1S/C8H14N2O2S2/c9-7(11)1-6-14-8(13)10-2-4-12-5-3-10/h1-6H2,(H2,9,11)","VMKSKBVNNLLDDX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[8990,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66592","OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)N2CCN(Cc3ccccc3)CC2)c2coc3ccccc3c2=O)cc1","InChI=1S/C34H34N2O6/c37-21-25-10-12-26(13-11-25)22-41-32-19-27(29-23-40-30-9-5-4-8-28(30)33(29)38)18-31(42-32)34(39)36-16-14-35(15-17-36)20-24-6-2-1-3-7-24/h1-13,18,23,27,32,37H,14-17,19-22H2/t27-,32+/m0/s1","ZSPJPBUGJWEYMF-QVWWMRLHSA-N",{"$nulls":3},">350000"]
[9007,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66607","Clc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Br)cc1","InChI=1S/C14H9BrClN3O2S/c15-9-5-7-10(8-6-9)22(20,21)19-14-13(16)17-11-3-1-2-4-12(11)18-14/h1-8H,(H,18,19)","GFSLHDOVHKQJQL-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[9020,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM38802","CCOC(=O)C(C(=O)OCC)c1cc(Br)c2noc3-c4ccccc4C(=O)c1c23","InChI=1S/C21H16BrNO6/c1-3-27-20(25)15(21(26)28-4-2)12-9-13(22)17-16-14(12)18(24)10-7-5-6-8-11(10)19(16)29-23-17/h5-9,15H,3-4H2,1-2H3","HFSGTAOLUKMOQF-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[9040,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66629","Cc1cc(=O)oc2cc(OCCC[n+]3ccccc3)ccc12","InChI=1S/C18H18NO3/c1-14-12-18(20)22-17-13-15(6-7-16(14)17)21-11-5-10-19-8-3-2-4-9-19/h2-4,6-9,12-13H,5,10-11H2,1H3/q+1","UYCTZPSQXMSBEM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[9052,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66641","Clc1ccc(OCCCC(=O)Nc2ncccn2)c(Cl)c1","InChI=1S/C14H13Cl2N3O2/c15-10-4-5-12(11(16)9-10)21-8-1-3-13(20)19-14-17-6-2-7-18-14/h2,4-7,9H,1,3,8H2,(H,17,18,19,20)","NXTLSXDRGJETNY-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[9073,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66657","Cc1[nH]c(=S)c(C#N)c(C)c1Cc1ccc(Cl)cc1Cl","InChI=1S/C15H12Cl2N2S/c1-8-12(9(2)19-15(20)13(8)7-18)5-10-3-4-11(16)6-14(10)17/h3-4,6H,5H2,1-2H3,(H,19,20)","REZGJSVTYVDQFX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[9090,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66674","Oc1ccc(NC(=O)c2cccc(Cl)c2)c2oc(cc(=O)c12)-c1cccc(Cl)c1","InChI=1S/C22H13Cl2NO4/c23-14-5-1-3-12(9-14)19-11-18(27)20-17(26)8-7-16(21(20)29-19)25-22(28)13-4-2-6-15(24)10-13/h1-11,26H,(H,25,28)","IOYQVNCKQRFOEG-UHFFFAOYSA-N",{"$nulls":3},80480]
[9100,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66681","CCC(Sc1ncccc1Nc1ccccn1)C(O)=O","InChI=1S/C14H15N3O2S/c1-2-11(14(18)19)20-13-10(6-5-9-16-13)17-12-7-3-4-8-15-12/h3-9,11H,2H2,1H3,(H,15,17)(H,18,19)","ZRDJNFYUQHJBIM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[9107,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66687","COc1cc2CC(=O)NC(c3ccccc3Br)c2cc1OC","InChI=1S/C17H16BrNO3/c1-21-14-7-10-8-16(20)19-17(12(10)9-15(14)22-2)11-5-3-4-6-13(11)18/h3-7,9,17H,8H2,1-2H3,(H,19,20)","WSMLFFKXPIRZOB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[9132,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66711","CCCNC(=O)c1ccc(COc2ccc(Cl)cc2)o1","InChI=1S/C15H16ClNO3/c1-2-9-17-15(18)14-8-7-13(20-14)10-19-12-5-3-11(16)4-6-12/h3-8H,2,9-10H2,1H3,(H,17,18)","UGJWWFAKNFFIMP-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[9140,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Microtubule-associated protein tau","Bos taurus","BDM142846","C[C@@H]1COCCN1c1nc(cc(=O)n1C)-c1ncncc1F","InChI=1S/C14H16FN5O2/c1-9-7-22-4-3-20(9)14-18-11(5-12(21)19(14)2)13-10(15)6-16-8-17-13/h5-6,8-9H,3-4,7H2,1-2H3/t9-/m1/s1","OXEZCSBOEPKTJW-SECBINFHSA-N",null,19.7,{"$nulls":4},6.5,"25.00 C"]
[9157,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7 (mGlu7)","Rattus norvegicus","BDM50196291","Cn1c(cc2onc(-c3ccccc3)c2c1=O)-c1ccc2OCOc2c1","InChI=1S/C20H14N2O4/c1-22-14(13-7-8-15-16(9-13)25-11-24-15)10-17-18(20(22)23)19(21-26-17)12-5-3-2-4-6-12/h2-10H,11H2,1H3","OVMZTCWKQUHSEH-UHFFFAOYSA-N",null,26]
[9180,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7 (mGlu7)","Rattus norvegicus","BDM50553603","CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccccc1OC","InChI=1S/C24H27N3O4/c1-4-31-24(28)18-16-25-22-17(8-7-11-21(22)30-3)23(18)27-14-12-26(13-15-27)19-9-5-6-10-20(19)29-2/h5-11,16H,4,12-15H2,1-3H3","QVUADLCPMUWKHH-UHFFFAOYSA-N",null,647]
[9190,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7 (mGlu7)","Rattus norvegicus","BDM50280368","COc1ccc(cc1OC)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1","InChI=1S/C18H15F3N4O4/c1-27-15-6-3-11(7-16(15)28-2)17(26)24-13-8-12(29-18(19,20)21)4-5-14(13)25-10-22-9-23-25/h3-10H,1-2H3,(H,24,26)","YCDOKDADFOBKIL-UHFFFAOYSA-N",null,760]
[9212,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7 (mGlu7)","Rattus norvegicus","BDM50280367","COc1cc(ccc1OC1CCCC1)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1","InChI=1S/C22H21F3N4O4/c1-31-20-10-14(6-9-19(20)32-15-4-2-3-5-15)21(30)28-17-11-16(33-22(23,24)25)7-8-18(17)29-13-26-12-27-29/h6-13,15H,2-5H2,1H3,(H,28,30)","CMYVXIGUBXGCLK-UHFFFAOYSA-N",null,1349]
[9223,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7 (mGlu7)","Rattus norvegicus","BDM50553611","CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccc(OC)cc1OC","InChI=1S/C25H29N3O5/c1-5-33-25(29)19-16-26-23-18(7-6-8-21(23)31-3)24(19)28-13-11-27(12-14-28)20-10-9-17(30-2)15-22(20)32-4/h6-10,15-16H,5,11-14H2,1-4H3","KQKYNNACYUZHGO-UHFFFAOYSA-N",null,1900]
[9244,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7 (mGlu7)","Rattus norvegicus","BDM50553621","CCOC(=O)c1cnc2c(OC)cccc2c1N(C)CCN(C)c1ccccc1OC","InChI=1S/C24H29N3O4/c1-6-31-24(28)18-16-25-22-17(10-9-13-21(22)30-5)23(18)27(3)15-14-26(2)19-11-7-8-12-20(19)29-4/h7-13,16H,6,14-15H2,1-5H3","XJKBFLDXMGKJGY-UHFFFAOYSA-N",null,4400]
[9256,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7 (mGlu7)","Rattus norvegicus","BDM50531690","COc1ccc(CNc2cc(Cl)ccc2-n2cncn2)cc1OC","InChI=1S/C17H17ClN4O2/c1-23-16-6-3-12(7-17(16)24-2)9-20-14-8-13(18)4-5-15(14)22-11-19-10-21-22/h3-8,10-11,20H,9H2,1-2H3","QQMXZFDAWDECOG-UHFFFAOYSA-N",null,7943]
[9273,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7 (mGlu7)","Rattus norvegicus","BDM50523886","COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1N1CCN(C)CC1","InChI=1S/C22H23F3N4O4/c1-28-8-10-29(11-9-28)17-6-5-15(33-22(23,24)25)13-16(17)21-27-26-20(32-21)14-4-7-18(30-2)19(12-14)31-3/h4-7,12-13H,8-11H2,1-3H3","OYVIHTZTVPKPCF-UHFFFAOYSA-N",null,">30000"]
[9292,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7 (mGlu7)","Rattus norvegicus","BDM50531679","COc1cc(ccc1OCC(F)(F)F)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1","InChI=1S/C19H14F6N4O4/c1-31-16-6-11(2-5-15(16)32-8-18(20,21)22)17(30)28-13-7-12(33-19(23,24)25)3-4-14(13)29-10-26-9-27-29/h2-7,9-10H,8H2,1H3,(H,28,30)","TYXNXDGXXLIIGR-UHFFFAOYSA-N",null,">30000000"]
[9306,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDM196916","N[C@H](CCP(O)(=O)C(O)c1ccc(CCC(O)=O)cc1)C(O)=O","InChI=1S/C14H20NO7P/c15-11(13(18)19)7-8-23(21,22)14(20)10-4-1-9(2-5-10)3-6-12(16)17/h1-2,4-5,11,14,20H,3,6-8,15H2,(H,16,17)(H,18,19)(H,21,22)/t11-,14?/m1/s1","WQHZBTAYFHHLRA-YNODCEANSA-N",{"$nulls":3},37000]
[9309,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDM196924","N[C@H](CCP(O)(=O)C(O)c1ccc(OCC(O)=O)c(OC(F)(F)F)c1)C(O)=O","InChI=1S/C14H17F3NO9P/c15-14(16,17)27-10-5-7(1-2-9(10)26-6-11(19)20)13(23)28(24,25)4-3-8(18)12(21)22/h1-2,5,8,13,23H,3-4,6,18H2,(H,19,20)(H,21,22)(H,24,25)/t8-,13?/m1/s1","NTRJZUQSNSIKLO-UOGPZTOASA-N",{"$nulls":3},1970]
[9339,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7 (mGlu7)","Rattus norvegicus","BDM50007548","N[C@@H](CCP(O)(O)=O)C(O)=O","InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1","DDOQBQRIEWHWBT-VKHMYHEASA-N",{"$nulls":3},440000]
[9340,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7 (mGlu7)","Rattus norvegicus","BDM50220009","N[C@@H](CCP(O)=O)C(O)=O","InChI=1S/C4H10NO4P/c5-3(4(6)7)1-2-10(8)9/h3,10H,1-2,5H2,(H,6,7)(H,8,9)/t3-/m0/s1","IDBRULKICVRMNG-VKHMYHEASA-N",{"$nulls":3},">500000"]
[9357,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7 (mGlu7)","Rattus norvegicus","BDM50314797","N[C@@H](CCP(O)(=O)CC(Cl)C(O)=O)C(O)=O","InChI=1S/C7H13ClNO6P/c8-4(6(10)11)3-16(14,15)2-1-5(9)7(12)13/h4-5H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4?,5-/m0/s1","FQUOPRSIELVFTB-AKGZTFGVSA-N",{"$nulls":3},">100000"]
[9373,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7 (mGlu7)","Rattus norvegicus","BDM50283480","CCc1nn2c(cc(C)nc2c1-c1ccc(OC(F)F)cc1F)C(F)(F)F","InChI=1S/C17H13F6N3O/c1-3-12-14(10-5-4-9(7-11(10)18)27-16(19)20)15-24-8(2)6-13(17(21,22)23)26(15)25-12/h4-7,16H,3H2,1-2H3","ZRJOZSUGCBXQOH-UHFFFAOYSA-N",{"$nulls":3},1479]
[9389,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7 (mGlu7)","Rattus norvegicus","BDM50283482","COc1ccc(cc1Cl)-c1c(C)nn2c(cc(C)nc12)C(F)(F)F","InChI=1S/C16H13ClF3N3O/c1-8-6-13(16(18,19)20)23-15(21-8)14(9(2)22-23)10-4-5-12(24-3)11(17)7-10/h4-7H,1-3H3","SXZDEMGBLDUORL-UHFFFAOYSA-N",{"$nulls":3},2300]
[9406,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7 (mGlu7)","Rattus norvegicus","BDM50547306","FC(F)Oc1cccc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N","InChI=1S/C21H17F3N4O/c22-16-5-1-2-6-17(16)27-8-10-28(11-9-27)20-14(12-25)13-26-19-15(20)4-3-7-18(19)29-21(23)24/h1-7,13,21H,8-11H2","XUXBNCYNKWMDOS-UHFFFAOYSA-N",{"$nulls":3},">10000"]
[9420,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7 (mGlu7)","Rattus norvegicus","BDM50547314","Fc1ccccc1N1CCN(CC1)c1c(cnc2c(OCC3CCOC3)cccc12)C#N","InChI=1S/C25H25FN4O2/c26-21-5-1-2-6-22(21)29-9-11-30(12-10-29)25-19(14-27)15-28-24-20(25)4-3-7-23(24)32-17-18-8-13-31-16-18/h1-7,15,18H,8-13,16-17H2","XTBDBZIBVDAAEJ-UHFFFAOYSA-N",{"$nulls":3},1300]
[9439,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7 (mGlu7)","Rattus norvegicus","BDM50547309","CC(C)Oc1cc(F)cc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N","InChI=1S/C23H22F2N4O/c1-15(2)30-21-12-17(24)11-18-22(21)27-14-16(13-26)23(18)29-9-7-28(8-10-29)20-6-4-3-5-19(20)25/h3-6,11-12,14-15H,7-10H2,1-2H3","URGDPHSQVLSJCM-UHFFFAOYSA-N",{"$nulls":3},750]
[9456,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","GRM7","Homo sapiens","BDM86717","Cc1ccc(O)c(N=Nc2ccccc2)n1","InChI=1S/C12H11N3O/c1-9-7-8-11(16)12(13-9)15-14-10-5-3-2-4-6-10/h2-8,16H,1H3","LOCPVWIREQIGNQ-UHFFFAOYSA-N",">100000"]
[9468,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDM564991","COc1cccc(C2CCc3c(C2)cnn(-c2ccc(CO)cn2)c3=O)c1C","InChI=1S/C22H23N3O3/c1-14-18(4-3-5-20(14)28-2)16-7-8-19-17(10-16)12-24-25(22(19)27)21-9-6-15(13-26)11-23-21/h3-6,9,11-12,16,26H,7-8,10,13H2,1-2H3","ZSPULGBTTFECDM-UHFFFAOYSA-N",null,"<500"]
[9489,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDM565013","COc1ccc(C)c(c1)C1CCc2c(C1)cnn(-c1ccccn1)c2=O","InChI=1S/C21H21N3O2/c1-14-6-8-17(26-2)12-19(14)15-7-9-18-16(11-15)13-23-24(21(18)25)20-5-3-4-10-22-20/h3-6,8,10,12-13,15H,7,9,11H2,1-2H3","GAYCQEHVGJGNBH-UHFFFAOYSA-N",null,"<500"]
[9500,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDM565035","Cc1ccc(OC2CC2)cc1C1CCc2c(C1)cnn(-c1ncccn1)c2=O","InChI=1S/C22H22N4O2/c1-14-3-5-18(28-17-6-7-17)12-20(14)15-4-8-19-16(11-15)13-25-26(21(19)27)22-23-9-2-10-24-22/h2-3,5,9-10,12-13,15,17H,4,6-8,11H2,1H3","HEFFECBQRQXHFP-UHFFFAOYSA-N",null,"<500"]
[9522,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDM565066","Cc1ccc(C2CCc3c(C2)cnn(-c2ncc(cn2)N2CCOCC2)c3=O)c(C)c1","InChI=1S/C24H27N5O2/c1-16-3-5-21(17(2)11-16)18-4-6-22-19(12-18)13-27-29(23(22)30)24-25-14-20(15-26-24)28-7-9-31-10-8-28/h3,5,11,13-15,18H,4,6-10,12H2,1-2H3","YFKRDJLIBBVTDV-UHFFFAOYSA-N",null,"<500"]
[9539,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDM564954","Cc1ccc(C2CCc3c(C2)cnn(-c2ccccn2)c3=O)c(C)c1","InChI=1S/C21H21N3O/c1-14-6-8-18(15(2)11-14)16-7-9-19-17(12-16)13-23-24(21(19)25)20-5-3-4-10-22-20/h3-6,8,10-11,13,16H,7,9,12H2,1-2H3","WKFOJVCMGRBGIU-UHFFFAOYSA-N",null,"<500"]
[9548,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDM564966","COc1cccc(n1)-n1ncc2CC(CCc2c1=O)c1ccc(C)cc1C","InChI=1S/C22H23N3O2/c1-14-7-9-18(15(2)11-14)16-8-10-19-17(12-16)13-23-25(22(19)26)20-5-4-6-21(24-20)27-3/h4-7,9,11,13,16H,8,10,12H2,1-3H3","FDJGAFPNVIOUHC-UHFFFAOYSA-N",null,"<500"]
[9572,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDM565016","CC(O)c1cccc(c1)C1CCc2c(C1)cnn(-c1ccccn1)c2=O","InChI=1S/C21H21N3O2/c1-14(25)15-5-4-6-16(11-15)17-8-9-19-18(12-17)13-23-24(21(19)26)20-7-2-3-10-22-20/h2-7,10-11,13-14,17,25H,8-9,12H2,1H3","AOSJIIABAXWNSB-UHFFFAOYSA-N",null,750]
[9580,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDM565037","O=c1c2CCC(Cc2cnn1-c1ncccn1)c1cccc(OC2CCCC2)c1","InChI=1S/C23H24N4O2/c28-22-21-10-9-17(13-18(21)15-26-27(22)23-24-11-4-12-25-23)16-5-3-8-20(14-16)29-19-6-1-2-7-19/h3-5,8,11-12,14-15,17,19H,1-2,6-7,9-10,13H2","JHEXVDCISIIMTH-UHFFFAOYSA-N",null,750]
[9589,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","GRM7","Homo sapiens","BDM50072170","CC(C)C[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O","InChI=1S/C24H27NO5/c1-13(2)11-16-20(22(26)27)21(16)24(25,23(28)29)12-17-14-7-3-5-9-18(14)30-19-10-6-4-8-15(17)19/h3-10,13,16-17,20-21H,11-12,25H2,1-2H3,(H,26,27)(H,28,29)/t16-,20+,21+,24?/m1/s1","RQZMFVKQWUAIHP-CHYAVIAWSA-N",null,2600]
[9606,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","GRM7","Homo sapiens","BDM50121643","N[C@]1(C[C@@H](Sc2nnc[nH]2)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O","InChI=1S/C10H12N4O4S/c11-10(8(17)18)1-3(19-9-12-2-13-14-9)4-5(6(4)10)7(15)16/h2-6H,1,11H2,(H,15,16)(H,17,18)(H,12,13,14)/t3-,4+,5+,6+,10+/m1/s1","YSOWRGMLMZQSBX-AVUIYAGVSA-N",null,">12500"]
[9628,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","GRM7","Homo sapiens","BDM50339075","O=C(N1CCN(CC1)c1nccs1)C12CC3CC(CC(C3)C1)C2","InChI=1S/C18H25N3OS/c22-16(18-10-13-7-14(11-18)9-15(8-13)12-18)20-2-4-21(5-3-20)17-19-1-6-23-17/h1,6,13-15H,2-5,7-12H2","CXTMBWBHTXAOFX-UHFFFAOYSA-N",null,">30000"]
[9639,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDM50255340","N[C@@H](CCP(O)(=O)[C@H](O)c1ccc(O)c(c1)[N+]([O-])=O)C(O)=O","InChI=1S/C11H15N2O8P/c12-7(10(15)16)3-4-22(20,21)11(17)6-1-2-9(14)8(5-6)13(18)19/h1-2,5,7,11,14,17H,3-4,12H2,(H,15,16)(H,20,21)/t7-,11-/m0/s1","GAGSUJFFXBSIDN-CPCISQLKSA-N",{"$nulls":3},62000]
[9660,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDM50552347","Cc1ccoc1C(=O)Nc1cc(F)c(cc1C)N1C(=O)c2cccc(Cl)c2C1=O","InChI=1S/C21H14ClFN2O4/c1-10-6-7-29-18(10)19(26)24-15-9-14(23)16(8-11(15)2)25-20(27)12-4-3-5-13(22)17(12)21(25)28/h3-9H,1-2H3,(H,24,26)","WDSSTGDHZQHXBN-UHFFFAOYSA-N",{"$nulls":3},98]
[9672,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","GRM7","Homo sapiens","BDM50353290","C1Cc2[nH]ncc2-c2nc(Nc3ccccn3)sc2C1","InChI=1S/C14H13N5S/c1-2-7-15-12(6-1)17-14-18-13-9-8-16-19-10(9)4-3-5-11(13)20-14/h1-2,6-8H,3-5H2,(H,16,19)(H,15,17,18)","DBISXWCOHGUFSF-UHFFFAOYSA-N",{"$nulls":3},">10000"]
[9692,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","GRM7","Homo sapiens","BDM66976","N[C@]1(CC[C@H](C1)C(O)=O)C(O)=O","InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7+/m1/s1","YFYNOWXBIBKGHB-FBCQKBJTSA-N",{"$nulls":3},">1000000"]
[9705,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","GRM7","Homo sapiens","BDM50204257","N[C@@]1([C@H]2[C@H]([C@@H]2C(O)=O)[C@H](O)[C@H]1OCc1ccc(Cl)c(Cl)c1)C(O)=O","InChI=1S/C15H15Cl2NO6/c16-6-2-1-5(3-7(6)17)4-24-12-11(19)8-9(13(20)21)10(8)15(12,18)14(22)23/h1-3,8-12,19H,4,18H2,(H,20,21)(H,22,23)/t8-,9-,10-,11-,12+,15+/m0/s1","WNOZOUHFGZKGNT-ANYOLZDRSA-N",{"$nulls":3},">25000"]
[9722,"7e7d_A",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDM50255334","N[C@@H](CCP(O)(=O)C(O)c1cc(O)c(O)c(c1)[N+]([O-])=O)C(O)=O","InChI=1S/C11H15N2O9P/c12-6(10(16)17)1-2-23(21,22)11(18)5-3-7(13(19)20)9(15)8(14)4-5/h3-4,6,11,14-15,18H,1-2,12H2,(H,16,17)(H,21,22)/t6-,11?/m0/s1","QOLNTYLPEHVBQY-OCAOPBLFSA-N",{"$nulls":3},">100000"]
[9740,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66360","Cc1cc(C)cc(c1)C(=O)N1CC(=O)Nc2ccccc12","InChI=1S/C17H16N2O2/c1-11-7-12(2)9-13(8-11)17(21)19-10-16(20)18-14-5-3-4-6-15(14)19/h3-9H,10H2,1-2H3,(H,18,20)","HZVVNFUIEIANJX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[9755,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66369","Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)Cn1nc(c(Cl)c1C)[N+]([O-])=O","InChI=1S/C18H17Cl3N6O3/c1-9-17(11(3)25(23-9)7-12-4-5-13(19)6-14(12)20)22-15(28)8-26-10(2)16(21)18(24-26)27(29)30/h4-6H,7-8H2,1-3H3,(H,22,28)","RYOSPXVQPHMSSG-UHFFFAOYSA-N",{"$nulls":3},51060]
[9772,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66378","OC(CN(Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1)C(F)(F)F","InChI=1S/C17H16ClF3N2O2/c18-13-8-6-12(7-9-13)10-23(11-15(24)17(19,20)21)16(25)22-14-4-2-1-3-5-14/h1-9,15,24H,10-11H2,(H,22,25)","WDWBNWIFPHIYHQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[9788,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66718","Cc1ccc(CCC(=O)Nc2ccc(Br)cc2)o1","InChI=1S/C14H14BrNO2/c1-10-2-7-13(18-10)8-9-14(17)16-12-5-3-11(15)4-6-12/h2-7H,8-9H2,1H3,(H,16,17)","JABYCOOMMCQRJC-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[9805,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66734","Nc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O","InChI=1S/C9H13N3O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2,10H2,(H,11,16,17)","YBTWWWIJBCCYNR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[9820,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66747","COc1ccc(OC)c2[nH]c(cc12)C(=O)N1CCC(CC1)C(O)=O","InChI=1S/C17H20N2O5/c1-23-13-3-4-14(24-2)15-11(13)9-12(18-15)16(20)19-7-5-10(6-8-19)17(21)22/h3-4,9-10,18H,5-8H2,1-2H3,(H,21,22)","UQXHTYXPPDAISS-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[9838,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66761","CC1COc2ccccc2N1C(=O)c1ccc(Cl)cc1","InChI=1S/C16H14ClNO2/c1-11-10-20-15-5-3-2-4-14(15)18(11)16(19)12-6-8-13(17)9-7-12/h2-9,11H,10H2,1H3","UILNYSZPKJYGPZ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[9852,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66775","CN1CCc2[nH]c3c(C)cccc3c2C1","InChI=1S/C13H16N2/c1-9-4-3-5-10-11-8-15(2)7-6-12(11)14-13(9)10/h3-5,14H,6-8H2,1-2H3","XSHXIKHZZUQAFC-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[9855,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66778","Cc1ccc(cc1)C(O)(CCN1CCCCC1)c1ccccc1","InChI=1S/C21H27NO/c1-18-10-12-20(13-11-18)21(23,19-8-4-2-5-9-19)14-17-22-15-6-3-7-16-22/h2,4-5,8-13,23H,3,6-7,14-17H2,1H3","NFQNJBIQNAMAAK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[9872,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66793","Cc1ccc(NC2=c3ccccc3=NC2=O)cc1","InChI=1S/C15H12N2O/c1-10-6-8-11(9-7-10)16-14-12-4-2-3-5-13(12)17-15(14)18/h2-9H,1H3,(H,16,17,18)","ZETUOQQJYCOFTD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[9900,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66818","OC(=O)CCN1CCc2ccccc2C1c1ccncc1","InChI=1S/C17H18N2O2/c20-16(21)8-12-19-11-7-13-3-1-2-4-15(13)17(19)14-5-9-18-10-6-14/h1-6,9-10,17H,7-8,11-12H2,(H,20,21)","UZNOTGVPJYCZSU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[9905,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66823","NS(=O)(=O)c1ccc(NC(=O)c2ccc3CCCCc3c2)cc1","InChI=1S/C17H18N2O3S/c18-23(21,22)16-9-7-15(8-10-16)19-17(20)14-6-5-12-3-1-2-4-13(12)11-14/h5-11H,1-4H2,(H,19,20)(H2,18,21,22)","YKBPBJFIMIJLHK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[9917,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66830","COc1cc(NC(=O)c2nn(C)c-3c2CS(=O)(=O)c2ccccc-32)cc(OC)c1","InChI=1S/C20H19N3O5S/c1-23-19-15-6-4-5-7-17(15)29(25,26)11-16(19)18(22-23)20(24)21-12-8-13(27-2)10-14(9-12)28-3/h4-10H,11H2,1-3H3,(H,21,24)","QEUCVXVLZLYRIM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[9938,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66850","Cn1c2ccccc2c2cnn(CC(=O)NCCCN3CCN(CC3)c3ccccc3F)c(=O)c12","InChI=1S/C26H29FN6O2/c1-30-22-9-4-2-7-19(22)20-17-29-33(26(35)25(20)30)18-24(34)28-11-6-12-31-13-15-32(16-14-31)23-10-5-3-8-21(23)27/h2-5,7-10,17H,6,11-16,18H2,1H3,(H,28,34)","LSWUAYMNJOSKKQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[9948,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM54839","CCc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1","InChI=1S/C20H18ClN3O3S/c1-2-14-8-10-16(11-9-14)23-19(25)18-17(21)12-22-20(24-18)28(26,27)13-15-6-4-3-5-7-15/h3-12H,2,13H2,1H3,(H,23,25)","MGUHUZDKJLVYSS-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[9971,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66875","CN1CCN(CCCNC(=O)c2ccc3c(Cl)c4CCCCc4nc3c2)CC1","InChI=1S/C22H29ClN4O/c1-26-11-13-27(14-12-26)10-4-9-24-22(28)16-7-8-18-20(15-16)25-19-6-3-2-5-17(19)21(18)23/h7-8,15H,2-6,9-14H2,1H3,(H,24,28)","DGWMMZMTYNKYLU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[9988,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66891","CCCN1CCN(CCCNC(=O)CCCn2nc(C)c3sc4ccccc4c3c2=O)CC1","InChI=1S/C25H35N5O2S/c1-3-12-28-15-17-29(18-16-28)13-7-11-26-22(31)10-6-14-30-25(32)23-20-8-4-5-9-21(20)33-24(23)19(2)27-30/h4-5,8-9H,3,6-7,10-18H2,1-2H3,(H,26,31)","QJRFZGJEBBVMQS-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[9996,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66897","Brc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NCC1CCCO1","InChI=1S/C17H23BrN2O4S/c18-14-3-5-16(6-4-14)25(22,23)20-9-7-13(8-10-20)17(21)19-12-15-2-1-11-24-15/h3-6,13,15H,1-2,7-12H2,(H,19,21)","LIWYNOZMEPWZLB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10021,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66920","Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(Br)cc2)c1CN1CCOCC1","InChI=1S/C17H18BrN9O3/c18-12-3-1-11(2-4-12)9-20-22-17(28)14-13(10-26-5-7-29-8-6-26)27(25-21-14)16-15(19)23-30-24-16/h1-4,9H,5-8,10H2,(H2,19,23)(H,22,28)","VKMYLYZVYRHWOO-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10028,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66926","COc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cn(C)c3ccccc23)CC1","InChI=1S/C26H29N5O2/c1-29-17-19(21-7-3-5-9-23(21)29)18-30-15-12-20(13-16-30)31-25(11-14-27-31)28-26(32)22-8-4-6-10-24(22)33-2/h3-11,14,17,20H,12-13,15-16,18H2,1-2H3,(H,28,32)","BJTKXFBFOMTTGV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10054,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM58858","Cc1ccccc1\\C=C\\C(=O)c1ccc(o1)[N+]([O-])=O","InChI=1S/C14H11NO4/c1-10-4-2-3-5-11(10)6-7-12(16)13-8-9-14(19-13)15(17)18/h2-9H,1H3/b7-6+","VDSCLTOCMXBRKP-VOTSOKGWSA-N",{"$nulls":3},">350000"]
[10071,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66962","Cc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)NCc2ccccc2)nc1","InChI=1S/C20H19N3O3S/c1-15-10-11-19(21-13-15)23-20(24)17-8-5-9-18(12-17)27(25,26)22-14-16-6-3-2-4-7-16/h2-13,22H,14H2,1H3,(H,21,23,24)","SVVUVIFXYKUGPK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10076,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM50063753","Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O","InChI=1S/C22H14Cl2I2N2O2/c1-11-6-15(17(10-27)12-2-4-13(23)5-3-12)18(24)9-20(11)28-22(30)16-7-14(25)8-19(26)21(16)29/h2-9,17,29H,1H3,(H,28,30)","JMPFSEBWVLAJKM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10088,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66976","N[C@]1(CC[C@H](C1)C(O)=O)C(O)=O","InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7+/m1/s1","YFYNOWXBIBKGHB-FBCQKBJTSA-N",{"$nulls":3},">350000"]
[10108,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66992","CCOc1ccccc1OCCC(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1[N+]([O-])=O","InChI=1S/C21H25N3O7S/c1-2-30-18-8-4-5-9-19(18)31-16-11-21(25)22-12-14-23(15-13-22)32(28,29)20-10-6-3-7-17(20)24(26)27/h3-10H,2,11-16H2,1H3","RMOZJXHYTBVEFS-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10121,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM67004","Cc1ccc(cc1C(=O)NCc1ccccc1CN1CCCC1)S(=O)(=O)N1CCCC1","InChI=1S/C24H31N3O3S/c1-19-10-11-22(31(29,30)27-14-6-7-15-27)16-23(19)24(28)25-17-20-8-2-3-9-21(20)18-26-12-4-5-13-26/h2-3,8-11,16H,4-7,12-15,17-18H2,1H3,(H,25,28)","PTFIDPVNFKUGMI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10138,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM67021","CC(C)(C)OC(=O)n1cc(CCO)c2ccccc12","InChI=1S/C15H19NO3/c1-15(2,3)19-14(18)16-10-11(8-9-17)12-6-4-5-7-13(12)16/h4-7,10,17H,8-9H2,1-3H3","VTFPZEDGWAEVDL-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10156,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM67038","CC(C)c1cccc(c1)-c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)NC1CCCC1","InChI=1S/C28H27NO4S/c1-17(2)18-7-5-8-19(15-18)20-13-14-22-25(16-20)34(32,33)24-12-6-11-23(26(24)27(22)30)28(31)29-21-9-3-4-10-21/h5-8,11-17,21H,3-4,9-10H2,1-2H3,(H,29,31)","MPHMHKSGQBOWRZ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10171,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM67052","CC(=O)OC[C@]12CC[C@H]3[C@@](C)(CC[C@H]4C(C)(C)CCC[C@]34C)[C@@H]1C[C@@H](O2)C1=CC(=O)O[C@H]1OC(C)=O","InChI=1S/C29H42O7/c1-17(30)33-16-29-13-9-22-27(5)11-7-10-26(3,4)21(27)8-12-28(22,6)23(29)15-20(36-29)19-14-24(32)35-25(19)34-18(2)31/h14,20-23,25H,7-13,15-16H2,1-6H3/t20-,21+,22-,23+,25-,27+,28-,29-/m1/s1","RJZULDNPMPWJSC-RDLBUUDNSA-N",{"$nulls":3},3270]
[10188,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM67068","CN(CC(=O)Nc1cccc2ccccc12)C(=O)c1ccc(NC(=O)CC#N)cc1","InChI=1S/C23H20N4O3/c1-27(23(30)17-9-11-18(12-10-17)25-21(28)13-14-24)15-22(29)26-20-8-4-6-16-5-2-3-7-19(16)20/h2-12H,13,15H2,1H3,(H,25,28)(H,26,29)","MZERHWNOMRFKEX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10204,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM67084","COc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1","InChI=1S/C22H22N4O8S/c1-25-19(23)18(20(28)26(2)22(25)30)17(27)12-34-21(29)13-5-4-6-16(11-13)35(31,32)24-14-7-9-15(33-3)10-8-14/h4-11,24H,12,23H2,1-3H3","SSTFYCWUVJWXMW-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10220,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM33489","Cc1cc(nc(n1)-c1ccccc1)N1CCN(CC1)c1ccccc1","InChI=1S/C21H22N4/c1-17-16-20(23-21(22-17)18-8-4-2-5-9-18)25-14-12-24(13-15-25)19-10-6-3-7-11-19/h2-11,16H,12-15H2,1H3","OGEGHNXZKVBMSM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10237,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66240","COC(=O)c1ccc(NC(=O)CCN2CCN(CC2)c2ccccc2)cc1","InChI=1S/C21H25N3O3/c1-27-21(26)17-7-9-18(10-8-17)22-20(25)11-12-23-13-15-24(16-14-23)19-5-3-2-4-6-19/h2-10H,11-16H2,1H3,(H,22,25)","NZSVTFGDGVTNKF-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10254,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66252","Cc1ccc(cc1)S(=O)(=O)NCC(=O)OC1CCOC1=O","InChI=1S/C13H15NO6S/c1-9-2-4-10(5-3-9)21(17,18)14-8-12(15)20-11-6-7-19-13(11)16/h2-5,11,14H,6-8H2,1H3","FXHQSACKEFQWDT-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10268,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66261","CC1=Nc2nc(nn2C(C1C(N)=O)c1ccc2OCOc2c1)-c1cccc(C)c1","InChI=1S/C21H19N5O3/c1-11-4-3-5-14(8-11)20-24-21-23-12(2)17(19(22)27)18(26(21)25-20)13-6-7-15-16(9-13)29-10-28-15/h3-9,17-18H,10H2,1-2H3,(H2,22,27)","XPFCXFQBKFREGZ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10287,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66389","Cc1nc(NC(=O)c2cccc(Cl)c2)sc1-c1csc(Nc2ccccc2C)n1","InChI=1S/C21H17ClN4OS2/c1-12-6-3-4-9-16(12)24-20-25-17(11-28-20)18-13(2)23-21(29-18)26-19(27)14-7-5-8-15(22)10-14/h3-11H,1-2H3,(H,24,25)(H,23,26,27)","YEHFGMYLZOMBNR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10300,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66398","COc1cc(\\C=C(\\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccccc1C","InChI=1S/C26H22N4O3/c1-17-7-3-4-8-20(17)28-25(31)16-33-23-12-11-18(14-24(23)32-2)13-19(15-27)26-29-21-9-5-6-10-22(21)30-26/h3-14H,16H2,1-2H3,(H,28,31)(H,29,30)/b19-13-","XVAKBFGFQSCBJZ-UYRXBGFRSA-N",{"$nulls":3},4300]
[10320,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66415","CC(C)OC(=O)c1c(NC(=O)\\C=C\\c2ccc(C)o2)sc(C)c1C","InChI=1S/C18H21NO4S/c1-10(2)22-18(21)16-12(4)13(5)24-17(16)19-15(20)9-8-14-7-6-11(3)23-14/h6-10H,1-5H3,(H,19,20)/b9-8+","JJNNCBJYWSPDGU-CMDGGOBGSA-N",{"$nulls":3},">350000"]
[10337,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66276","CCC(=O)c1ccc(N2CCN(CC2)C(=O)Cc2ccccc2)c(F)c1","InChI=1S/C21H23FN2O2/c1-2-20(25)17-8-9-19(18(22)15-17)23-10-12-24(13-11-23)21(26)14-16-6-4-3-5-7-16/h3-9,15H,2,10-14H2,1H3","WZIHESKQJGLETB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10348,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66285","COc1ccccc1NC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O","InChI=1S/C19H20N4O3/c1-13-17(18(24)23(22(13)2)14-9-5-4-6-10-14)21-19(25)20-15-11-7-8-12-16(15)26-3/h4-12H,1-3H3,(H2,20,21,25)","DZLKBTBKPHPZOZ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10354,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66289","CCOc1ccccc1NC(=O)Nc1cc(OC)ccc1OC","InChI=1S/C17H20N2O4/c1-4-23-16-8-6-5-7-13(16)18-17(20)19-14-11-12(21-2)9-10-15(14)22-3/h5-11H,4H2,1-3H3,(H2,18,19,20)","AZBSARMVWSOEPF-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10380,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM49341","COc1ccc(C2CC(=NCCS2)c2c(O)cc(C)oc2=O)c(OC)c1","InChI=1S/C19H21NO5S/c1-11-8-15(21)18(19(22)25-11)14-10-17(26-7-6-20-14)13-5-4-12(23-2)9-16(13)24-3/h4-5,8-9,17,21H,6-7,10H2,1-3H3","NHFIAAAMCYVRIW-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10387,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66310","COC(=O)c1ccc(NC(=O)C2CN(C(=O)C2)c2ccc(C)cc2)cc1","InChI=1S/C20H20N2O4/c1-13-3-9-17(10-4-13)22-12-15(11-18(22)23)19(24)21-16-7-5-14(6-8-16)20(25)26-2/h3-10,15H,11-12H2,1-2H3,(H,21,24)","OQGVXBMTGWLGKA-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10411,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM59806","Cc1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(Cl)c2)c(=O)n(-c2ccccc2)n1C","InChI=1S/C25H21ClN6O3S/c1-16-22(25(33)32(31(16)2)18-10-4-3-5-11-18)29-23-24(28-21-14-7-6-13-20(21)27-23)30-36(34,35)19-12-8-9-17(26)15-19/h3-15H,1-2H3,(H,27,29)(H,28,30)","MDBCXZZVFCUBIM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10420,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66334","CC(C)CCNC(=O)c1cc(nc2ccc(cc12)S(=O)(=O)N1CCOCC1)-c1ccncc1","InChI=1S/C24H28N4O4S/c1-17(2)5-10-26-24(29)21-16-23(18-6-8-25-9-7-18)27-22-4-3-19(15-20(21)22)33(30,31)28-11-13-32-14-12-28/h3-4,6-9,15-17H,5,10-14H2,1-2H3,(H,26,29)","GBMKCXVVOWPVLC-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10437,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66347","COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2ccccn2)c1","InChI=1S/C17H16N2O5S/c1-23-16(21)11-6-7-12(17(22)24-2)13(9-11)19-14(20)10-25-15-5-3-4-8-18-15/h3-9H,10H2,1-2H3,(H,19,20)","OYWBSWZEFCIILJ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10460,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM61056","Nc1c(sc2nc3ccc(OC(F)(F)F)cc3cc12)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC1","InChI=1S/C23H19F3N4O4S2/c24-23(25,26)34-15-5-8-18-13(11-15)12-17-19(27)20(35-22(17)29-18)21(31)28-14-3-6-16(7-4-14)36(32,33)30-9-1-2-10-30/h3-8,11-12H,1-2,9-10,27H2,(H,28,31)","YIPLTGVEHGYRQM-UHFFFAOYSA-N",{"$nulls":3},8615]
[10470,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66438","CCOC(=O)Cc1csc(N=Cc2c(O)n(-c3ccc(C)c(C)c3)c(=O)c3ccccc23)n1","InChI=1S/C25H23N3O4S/c1-4-32-22(29)12-17-14-33-25(27-17)26-13-21-19-7-5-6-8-20(19)23(30)28(24(21)31)18-10-9-15(2)16(3)11-18/h5-11,13-14,31H,4,12H2,1-3H3","JOQRWJPVRRWIHP-UHFFFAOYSA-N",{"$nulls":3},9230]
[10491,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66457","CCc1nc(NNC2=c3ccccc3=NC2=O)c2c3CCCc3sc2n1","InChI=1S/C19H17N5OS/c1-2-14-21-17(15-11-7-5-9-13(11)26-19(15)22-14)24-23-16-10-6-3-4-8-12(10)20-18(16)25/h3-4,6,8H,2,5,7,9H2,1H3,(H,20,23,25)(H,21,22,24)","UWTAQSOEAOJRMF-UHFFFAOYSA-N",{"$nulls":3},20780]
[10503,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66467","[O-][N+](=O)c1ccccc1C(=O)N[N-][CH+]c1ccc(o1)N1CCCCC1","InChI=1S/C17H18N4O4/c22-17(14-6-2-3-7-15(14)21(23)24)19-18-12-13-8-9-16(25-13)20-10-4-1-5-11-20/h2-3,6-9,12H,1,4-5,10-11H2,(H,19,22)","AUBLAYUXVWSLCR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10520,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66478","Cc1c(cccc1[N+]([O-])=O)C(=O)NCCN1C(=O)S\\C(=C/c2cccs2)C1=O","InChI=1S/C18H15N3O5S2/c1-11-13(5-2-6-14(11)21(25)26)16(22)19-7-8-20-17(23)15(28-18(20)24)10-12-4-3-9-27-12/h2-6,9-10H,7-8H2,1H3,(H,19,22)/b15-10-","AAPUXBODJIJXSY-GDNBJRDFSA-N",{"$nulls":3},">350000"]
[10539,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66492","Cn1cnc(c1S(=O)(=O)c1cccc(Cl)c1)[N+]([O-])=O","InChI=1S/C10H8ClN3O4S/c1-13-6-12-9(14(15)16)10(13)19(17,18)8-4-2-3-7(11)5-8/h2-6H,1H3","NWJGYGRBWMPRPV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10553,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66504","[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)N(CC(=O)NCCc1ccccc1)c1ccc(Br)cc1","InChI=1S/C22H19BrClN3O5S/c23-17-6-8-18(9-7-17)26(15-22(28)25-13-12-16-4-2-1-3-5-16)33(31,32)19-10-11-20(24)21(14-19)27(29)30/h1-11,14H,12-13,15H2,(H,25,28)","IPZYOBLSDLFZRB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10556,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM55685","Cc1ccc(NC(=S)N(CCCN2CCCC2)Cc2cccn2Cc2ccc(Cl)cc2)cc1Cl","InChI=1S/C27H32Cl2N4S/c1-21-7-12-24(18-26(21)29)30-27(34)33(17-5-15-31-13-2-3-14-31)20-25-6-4-16-32(25)19-22-8-10-23(28)11-9-22/h4,6-12,16,18H,2-3,5,13-15,17,19-20H2,1H3,(H,30,34)","UPXSQTKCJWIRJW-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10586,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66534","Cc1cccc(NC(=S)NCCc2ccc(F)cc2)c1C","InChI=1S/C17H19FN2S/c1-12-4-3-5-16(13(12)2)20-17(21)19-11-10-14-6-8-15(18)9-7-14/h3-9H,10-11H2,1-2H3,(H2,19,20,21)","NTNPMFLRHBRBGW-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10587,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM65325","Cc1cc(Sc2ncnc(N)c2[N+]([O-])=O)ncn1","InChI=1S/C9H8N6O2S/c1-5-2-6(12-3-11-5)18-9-7(15(16)17)8(10)13-4-14-9/h2-4H,1H3,(H2,10,13,14)","CRZKXAVOSBDDBX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10604,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66551","O=C(N1CCN(CC1)S(=O)(=O)c1ccccc1)c1ccccc1","InChI=1S/C17H18N2O3S/c20-17(15-7-3-1-4-8-15)18-11-13-19(14-12-18)23(21,22)16-9-5-2-6-10-16/h1-10H,11-14H2","JHNBMXVLJXBHCM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10620,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66565","CC(N=Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)c1ccc(NC(C)=O)cc1","InChI=1S/C23H26N8O2/c1-16(18-8-10-20(11-9-18)24-17(2)32)29-30-22-26-21(25-19-6-4-3-5-7-19)27-23(28-22)31-12-14-33-15-13-31/h3-11,16H,12-15H2,1-2H3,(H,24,32)(H,25,26,27,28)","QVKCPOVFXRPWTN-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10636,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66579","CC(Oc1ccccc1)C(=O)N1CCN=C1SCc1ccccc1","InChI=1S/C19H20N2O2S/c1-15(23-17-10-6-3-7-11-17)18(22)21-13-12-20-19(21)24-14-16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3","MYKAEFIROSUYOL-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10653,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66592","OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)N2CCN(Cc3ccccc3)CC2)c2coc3ccccc3c2=O)cc1","InChI=1S/C34H34N2O6/c37-21-25-10-12-26(13-11-25)22-41-32-19-27(29-23-40-30-9-5-4-8-28(30)33(29)38)18-31(42-32)34(39)36-16-14-35(15-17-36)20-24-6-2-1-3-7-24/h1-13,18,23,27,32,37H,14-17,19-22H2/t27-,32+/m0/s1","ZSPJPBUGJWEYMF-QVWWMRLHSA-N",{"$nulls":3},">350000"]
[10668,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66605","CN(C)c1ccc(cc1[N+]([O-])=O)S(=O)(=O)N(C)C","InChI=1S/C10H15N3O4S/c1-11(2)9-6-5-8(7-10(9)13(14)15)18(16,17)12(3)4/h5-7H,1-4H3","RTMPGTFARXUPKX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10686,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM42463","C[C@H]1[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@]22[C@@H](C=CC[C@H](C)C=C(C)[C@@H](O)C(=O)C=CC2=O)[C@@H]2O[C@]12C","InChI=1S/C32H36N2O5/c1-17-8-7-10-22-29-31(4,39-29)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(38)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-14,16-17,19,22,24,27-29,33,37H,8,15H2,1-4H3,(H,34,38)/t17-,19-,22-,24-,27-,28+,29-,31+,32+/m0/s1","OUMWCYMRLMEZJH-RRFIZBDMSA-N",{"$nulls":3},216400]
[10703,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66629","Cc1cc(=O)oc2cc(OCCC[n+]3ccccc3)ccc12","InChI=1S/C18H18NO3/c1-14-12-18(20)22-17-13-15(6-7-16(14)17)21-11-5-10-19-8-3-2-4-9-19/h2-4,6-9,12-13H,5,10-11H2,1H3/q+1","UYCTZPSQXMSBEM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10716,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66642","CCSc1nc(NCCN(C)C)c2c3CC(C)(CC)OCc3sc2n1","InChI=1S/C18H28N4OS2/c1-6-18(3)10-12-13(11-23-18)25-16-14(12)15(19-8-9-22(4)5)20-17(21-16)24-7-2/h6-11H2,1-5H3,(H,19,20,21)","LMPOGEWTVZMRJB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10736,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66657","Cc1[nH]c(=S)c(C#N)c(C)c1Cc1ccc(Cl)cc1Cl","InChI=1S/C15H12Cl2N2S/c1-8-12(9(2)19-15(20)13(8)7-18)5-10-3-4-11(16)6-14(10)17/h3-4,6H,5H2,1-2H3,(H,19,20)","REZGJSVTYVDQFX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10748,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66669","CCCCc1ccc(cc1)S(=O)(=O)NC1CCS(=O)(=O)C1","InChI=1S/C14H21NO4S2/c1-2-3-4-12-5-7-14(8-6-12)21(18,19)15-13-9-10-20(16,17)11-13/h5-8,13,15H,2-4,9-11H2,1H3","GWRITICBUBBOBK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10769,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM61114","COc1ccc(C=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)cc1OC","InChI=1S/C23H30O3/c1-22(2,3)17-12-16(13-18(21(17)24)23(4,5)6)11-15-9-10-19(25-7)20(14-15)26-8/h9-14H,1-8H3","HMZXLCKUQUILES-UHFFFAOYSA-N",{"$nulls":3},5770]
[10786,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66702","CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccccc1OC","InChI=1S/C14H14ClN3O4S/c1-3-23(20,21)14-16-8-9(15)12(18-14)13(19)17-10-6-4-5-7-11(10)22-2/h4-8H,3H2,1-2H3,(H,17,19)","YZKZEICZXRAHQG-UHFFFAOYSA-N",{"$nulls":3},">350000"]
[10796,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Bcl-2-like protein 11","Homo sapiens","BDM66712","COc1cc(NC(=O)c2ccc(C)cc2C)ccc1NC(=O)c1cc2ccccc2o1","InChI=1S/C25H22N2O4/c1-15-8-10-19(16(2)12-15)24(28)26-18-9-11-20(22(14-18)30-3)27-25(29)23-13-17-6-4-5-7-21(17)31-23/h4-14H,1-3H3,(H,26,28)(H,27,29)","NMIYHGKZUGTIJZ-UHFFFAOYSA-N",{"$nulls":3},26690]
[10819,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDM50305877","COc1ccc(cc1)-c1cc2onc(-c3ccncc3)c2c(=O)n1C","InChI=1S/C19H15N3O3/c1-22-15(12-3-5-14(24-2)6-4-12)11-16-17(19(22)23)18(21-25-16)13-7-9-20-10-8-13/h3-11H,1-2H3","PDWYBOZNEVALOV-UHFFFAOYSA-N",null,26]
[10828,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDM50305872","CCCc1ccc(cc1)-c1cc2onc(-c3ccccc3)c2c(=O)n1C","InChI=1S/C22H20N2O2/c1-3-7-15-10-12-16(13-11-15)18-14-19-20(22(25)24(18)2)21(23-26-19)17-8-5-4-6-9-17/h4-6,8-14H,3,7H2,1-2H3","NRGQTIMDGBRDBQ-UHFFFAOYSA-N",null,150]
[10836,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDM50553610","CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccccc1SC","InChI=1S/C24H27N3O3S/c1-4-30-24(28)18-16-25-22-17(8-7-10-20(22)29-2)23(18)27-14-12-26(13-15-27)19-9-5-6-11-21(19)31-3/h5-11,16H,4,12-15H2,1-3H3","NSZXZUKVHXESDP-UHFFFAOYSA-N",null,510]
[10853,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDM50280368","COc1ccc(cc1OC)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1","InChI=1S/C18H15F3N4O4/c1-27-15-6-3-11(7-16(15)28-2)17(26)24-13-8-12(29-18(19,20)21)4-5-14(13)25-10-22-9-23-25/h3-10H,1-2H3,(H,24,26)","YCDOKDADFOBKIL-UHFFFAOYSA-N",null,760]
[10876,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDM50280367","COc1cc(ccc1OC1CCCC1)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1","InChI=1S/C22H21F3N4O4/c1-31-20-10-14(6-9-19(20)32-15-4-2-3-5-15)21(30)28-17-11-16(33-22(23,24)25)7-8-18(17)29-13-26-12-27-29/h6-13,15H,2-5H2,1H3,(H,28,30)","CMYVXIGUBXGCLK-UHFFFAOYSA-N",null,1400]
[10886,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDM50553611","CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccc(OC)cc1OC","InChI=1S/C25H29N3O5/c1-5-33-25(29)19-16-26-23-18(7-6-8-21(23)31-3)24(19)28-13-11-27(12-14-28)20-10-9-17(30-2)15-22(20)32-4/h6-10,15-16H,5,11-14H2,1-4H3","KQKYNNACYUZHGO-UHFFFAOYSA-N",null,1900]
[10908,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDM50553640","CCOC(=O)c1cnc2ccsc2c1N1CCN(CC1)c1ccccc1OC","InChI=1S/C21H23N3O3S/c1-3-27-21(25)15-14-22-16-8-13-28-20(16)19(15)24-11-9-23(10-12-24)17-6-4-5-7-18(17)26-2/h4-8,13-14H,3,9-12H2,1-2H3","GSEUXAKOLZSFPR-UHFFFAOYSA-N",null,4500]
[10919,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDM50531690","COc1ccc(CNc2cc(Cl)ccc2-n2cncn2)cc1OC","InChI=1S/C17H17ClN4O2/c1-23-16-6-3-12(7-17(16)24-2)9-20-14-8-13(18)4-5-15(14)22-11-19-10-21-22/h3-8,10-11,20H,9H2,1-2H3","QQMXZFDAWDECOG-UHFFFAOYSA-N",null,7943]
[10939,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDM50553606","CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccccc1OC(F)(F)F","InChI=1S/C24H24F3N3O4/c1-3-33-23(31)17-15-28-21-16(7-6-10-20(21)32-2)22(17)30-13-11-29(12-14-30)18-8-4-5-9-19(18)34-24(25,26)27/h4-10,15H,3,11-14H2,1-2H3","ZPTDVPXWVUZVAA-UHFFFAOYSA-N",null,">30000"]
[10952,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDM50523882","COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-c1cccnc1","InChI=1S/C22H16F3N3O4/c1-29-18-8-5-13(10-19(18)30-2)20-27-28-21(31-20)17-11-15(32-22(23,24)25)6-7-16(17)14-4-3-9-26-12-14/h3-12H,1-2H3","UAXDEWNGWUVQAX-UHFFFAOYSA-N",null,">30000"]
[10969,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDM196916","N[C@H](CCP(O)(=O)C(O)c1ccc(CCC(O)=O)cc1)C(O)=O","InChI=1S/C14H20NO7P/c15-11(13(18)19)7-8-23(21,22)14(20)10-4-1-9(2-5-10)3-6-12(16)17/h1-2,4-5,11,14,20H,3,6-8,15H2,(H,16,17)(H,18,19)(H,21,22)/t11-,14?/m1/s1","WQHZBTAYFHHLRA-YNODCEANSA-N",{"$nulls":3},37000]
[10988,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDM50022759","Fc1cccc(COc2ccc3C(=O)NCCc3n2)c1","InChI=1S/C15H13FN2O2/c16-11-3-1-2-10(8-11)9-20-14-5-4-12-13(18-14)6-7-17-15(12)19/h1-5,8H,6-7,9H2,(H,17,19)","FMUAFDSEYCJYKD-UHFFFAOYSA-N",{"$nulls":3},">10000"]
[11002,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDM50007548","N[C@@H](CCP(O)(O)=O)C(O)=O","InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1","DDOQBQRIEWHWBT-VKHMYHEASA-N",{"$nulls":3},440000]
[11019,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDM50060719","Cc1o[nH]c(=O)c1CC[C@H](N)C(O)=O","InChI=1S/C8H12N2O4/c1-4-5(7(11)10-14-4)2-3-6(9)8(12)13/h6H,2-3,9H2,1H3,(H,10,11)(H,12,13)/t6-/m0/s1","NZDIZJGEDFARSV-LURJTMIESA-N",{"$nulls":3},">5000000"]
[11035,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDM50283484","COc1ccc(-c2c(C)nn3c(cc(C)nc23)C(F)(F)F)c(F)c1","InChI=1S/C16H13F4N3O/c1-8-6-13(16(18,19)20)23-15(21-8)14(9(2)22-23)11-5-4-10(24-3)7-12(11)17/h4-7H,1-3H3","TWINRHZBWTXHQZ-UHFFFAOYSA-N",{"$nulls":3},1660]
[11052,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDM50283482","COc1ccc(cc1Cl)-c1c(C)nn2c(cc(C)nc12)C(F)(F)F","InChI=1S/C16H13ClF3N3O/c1-8-6-13(16(18,19)20)23-15(21-8)14(9(2)22-23)10-4-5-12(24-3)11(17)7-10/h4-7H,1-3H3","SXZDEMGBLDUORL-UHFFFAOYSA-N",{"$nulls":3},2300]
[11067,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDM50547305","[2H]C([2H])([2H])Oc1cc(F)cc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N","InChI=1S/C21H18F2N4O/c1-28-19-11-15(22)10-16-20(19)25-13-14(12-24)21(16)27-8-6-26(7-9-27)18-5-3-2-4-17(18)23/h2-5,10-11,13H,6-9H2,1H3/i1D3","ILGOICKJVGZODR-FIBGUPNXSA-N",{"$nulls":3},1100]
[11085,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDM50547316","Fc1ccccc1N1CCN(CC1)c1c(cnc2c(cccc12)-n1cccn1)C#N","InChI=1S/C23H19FN6/c24-19-6-1-2-7-20(19)28-11-13-29(14-12-28)23-17(15-25)16-26-22-18(23)5-3-8-21(22)30-10-4-9-27-30/h1-10,16H,11-14H2","WLWQLSDIBLVCRG-UHFFFAOYSA-N",{"$nulls":3},">10000"]
[11099,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDM50547328","COc1c(F)c(F)cc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N","InChI=1S/C21H17F3N4O/c1-29-21-18(24)16(23)10-14-19(21)26-12-13(11-25)20(14)28-8-6-27(7-9-28)17-5-3-2-4-15(17)22/h2-5,10,12H,6-9H2,1H3","ROCSAJYXCABZPT-UHFFFAOYSA-N",{"$nulls":3},1100]
[11102,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDM50547309","CC(C)Oc1cc(F)cc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N","InChI=1S/C23H22F2N4O/c1-15(2)30-21-12-17(24)11-18-22(21)27-14-16(13-26)23(18)29-9-7-28(8-10-29)20-6-4-3-5-19(20)25/h3-6,11-12,14-15H,7-10H2,1-2H3","URGDPHSQVLSJCM-UHFFFAOYSA-N",{"$nulls":3},750]
[11131,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDM564991","COc1cccc(C2CCc3c(C2)cnn(-c2ccc(CO)cn2)c3=O)c1C","InChI=1S/C22H23N3O3/c1-14-18(4-3-5-20(14)28-2)16-7-8-19-17(10-16)12-24-25(22(19)27)21-9-6-15(13-26)11-23-21/h3-6,9,11-12,16,26H,7-8,10,13H2,1-2H3","ZSPULGBTTFECDM-UHFFFAOYSA-N",null,"<500"]
[11135,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDM564995","COc1cccc(C2CCc3c(C2)cnn(-c2ncc(Cl)cn2)c3=O)c1C","InChI=1S/C20H19ClN4O2/c1-12-16(4-3-5-18(12)27-2)13-6-7-17-14(8-13)9-24-25(19(17)26)20-22-10-15(21)11-23-20/h3-5,9-11,13H,6-8H2,1-2H3","PCISIKHPYWFRRN-UHFFFAOYSA-N",null,"<500"]
[11152,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDM565013","COc1ccc(C)c(c1)C1CCc2c(C1)cnn(-c1ccccn1)c2=O","InChI=1S/C21H21N3O2/c1-14-6-8-17(26-2)12-19(14)15-7-9-18-16(11-15)13-23-24(21(18)25)20-5-3-4-10-22-20/h3-6,8,10,12-13,15H,7,9,11H2,1-2H3","GAYCQEHVGJGNBH-UHFFFAOYSA-N",null,"<500"]
[11164,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDM565036","O=c1c2CCC(Cc2cnn1-c1ncccn1)c1cccc(OC2CC2)c1","InChI=1S/C21H20N4O2/c26-20-19-8-5-15(14-3-1-4-18(12-14)27-17-6-7-17)11-16(19)13-24-25(20)21-22-9-2-10-23-21/h1-4,9-10,12-13,15,17H,5-8,11H2","WNTOPUCOZMYLHC-UHFFFAOYSA-N",null,"<500"]
[11185,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDM565066","Cc1ccc(C2CCc3c(C2)cnn(-c2ncc(cn2)N2CCOCC2)c3=O)c(C)c1","InChI=1S/C24H27N5O2/c1-16-3-5-21(17(2)11-16)18-4-6-22-19(12-18)13-27-29(23(22)30)24-25-14-20(15-26-24)28-7-9-31-10-8-28/h3,5,11,13-15,18H,4,6-10,12H2,1-2H3","YFKRDJLIBBVTDV-UHFFFAOYSA-N",null,"<500"]
[11196,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDM565080","Clc1c(OC2CC2)cccc1[C@@H]1CCc2c(C1)cnn(-c1ncccn1)c2=O","InChI=1S/C21H19ClN4O2/c22-19-16(3-1-4-18(19)28-15-6-7-15)13-5-8-17-14(11-13)12-25-26(20(17)27)21-23-9-2-10-24-21/h1-4,9-10,12-13,15H,5-8,11H2/t13-/m1/s1","DAUTVNPCFCRXFJ-CYBMUJFWSA-N",null,"<500"]
[11218,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDM564973","Cc1ccc(C2CCc3c(C2)cnn(-c2ncccc2C)c3=O)c(C)c1","InChI=1S/C22H23N3O/c1-14-6-8-19(16(3)11-14)17-7-9-20-18(12-17)13-24-25(22(20)26)21-15(2)5-4-10-23-21/h4-6,8,10-11,13,17H,7,9,12H2,1-3H3","XITLBBSOCZGCKS-UHFFFAOYSA-N",null,"<500"]
[11235,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDM565016","CC(O)c1cccc(c1)C1CCc2c(C1)cnn(-c1ccccn1)c2=O","InChI=1S/C21H21N3O2/c1-14(25)15-5-4-6-16(11-15)17-8-9-19-18(12-17)13-23-24(21(19)26)20-7-2-3-10-22-20/h2-7,10-11,13-14,17,25H,8-9,12H2,1H3","AOSJIIABAXWNSB-UHFFFAOYSA-N",null,750]
[11244,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDM565053","Cc1c(OCC2CC2)cccc1C1CCc2c(C1)cnn(-c1ncccn1)c2=O","InChI=1S/C23H24N4O2/c1-15-19(4-2-5-21(15)29-14-16-6-7-16)17-8-9-20-18(12-17)13-26-27(22(20)28)23-24-10-3-11-25-23/h2-5,10-11,13,16-17H,6-9,12,14H2,1H3","UIKOHBKXASSBSI-UHFFFAOYSA-N",null,750]
[11268,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDM50244219","COc1cccc(c1)C(=O)N[C@H]1C[C@](N)([C@H]2[C@@H]1[C@@H]2C(O)=O)C(O)=O","InChI=1S/C16H18N2O6/c1-24-8-4-2-3-7(5-8)13(19)18-9-6-16(17,15(22)23)12-10(9)11(12)14(20)21/h2-5,9-12H,6,17H2,1H3,(H,18,19)(H,20,21)(H,22,23)/t9-,10-,11-,12-,16-/m0/s1","UXNRHIJPZNNDDJ-VZAVHYRXSA-N",null,">12500"]
[11276,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDM565024","COc1ccc(c(c1)C1CCc2c(C1)cnn(-c1ncccn1)c2=O)C(F)(F)F","InChI=1S/C20H17F3N4O2/c1-29-14-4-6-17(20(21,22)23)16(10-14)12-3-5-15-13(9-12)11-26-27(18(15)28)19-24-7-2-8-25-19/h2,4,6-8,10-12H,3,5,9H2,1H3","FLWAFPWOZWDVMQ-UHFFFAOYSA-N",null,15500]
[11301,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDM50255333","N[C@@H](CCP(O)(=O)C(O)c1ccc(N2CCOCC2)c(c1)[N+]([O-])=O)C(O)=O","InChI=1S/C15H22N3O8P/c16-11(14(19)20)3-8-27(24,25)15(21)10-1-2-12(13(9-10)18(22)23)17-4-6-26-7-5-17/h1-2,9,11,15,21H,3-8,16H2,(H,19,20)(H,24,25)/t11-,15?/m0/s1","BWTDMGDNYYGBNJ-VPHXOMNUSA-N",{"$nulls":3},">100000"]
[11318,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDM50552333","Cc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1NC(=O)c1ccco1","InChI=1S/C20H17FN2O4/c1-11-9-16(23-19(25)12-5-2-3-6-13(12)20(23)26)14(21)10-15(11)22-18(24)17-7-4-8-27-17/h4,7-10H,2-3,5-6H2,1H3,(H,22,24)","VAEVWBOTTXZZNF-UHFFFAOYSA-N",{"$nulls":3},377]
[11324,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDM50552348","Cc1ccoc1C(=O)Nc1cc(F)c(cc1C)N1C(=O)c2cccc(F)c2C1=O","InChI=1S/C21H14F2N2O4/c1-10-6-7-29-18(10)19(26)24-15-9-14(23)16(8-11(15)2)25-20(27)12-4-3-5-13(22)17(12)21(25)28/h3-9H,1-2H3,(H,24,26)","YHPLJCWMWLVNAD-UHFFFAOYSA-N",{"$nulls":3},114]
[11335,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","GRM7","Homo sapiens","BDM50353290","C1Cc2[nH]ncc2-c2nc(Nc3ccccn3)sc2C1","InChI=1S/C14H13N5S/c1-2-7-15-12(6-1)17-14-18-13-9-8-16-19-10(9)4-3-5-11(13)20-14/h1-2,6-8H,3-5H2,(H,16,19)(H,15,17,18)","DBISXWCOHGUFSF-UHFFFAOYSA-N",{"$nulls":3},">10000"]
[11356,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","GRM7","Homo sapiens","BDM17657","N[C@@H](CCC(O)=O)C(O)=O","InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1","WHUUTDBJXJRKMK-VKHMYHEASA-N",{"$nulls":3},">500000"]
[11368,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","GRM7","Homo sapiens","BDM50204257","N[C@@]1([C@H]2[C@H]([C@@H]2C(O)=O)[C@H](O)[C@H]1OCc1ccc(Cl)c(Cl)c1)C(O)=O","InChI=1S/C15H15Cl2NO6/c16-6-2-1-5(3-7(6)17)4-24-12-11(19)8-9(13(20)21)10(8)15(12,18)14(22)23/h1-3,8-12,19H,4,18H2,(H,20,21)(H,22,23)/t8-,9-,10-,11-,12+,15+/m0/s1","WNOZOUHFGZKGNT-ANYOLZDRSA-N",{"$nulls":3},">25000"]
[11387,"7e7d_C",0.5,"Spike glycoprotein,Collagen alpha-1(I) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDM50255414","N[C@@H](CCP(O)(=O)[C@@H](O)c1cc(F)c(O)c(c1)[N+]([O-])=O)C(O)=O","InChI=1S/C11H14FN2O8P/c12-6-3-5(4-8(9(6)15)14(19)20)11(18)23(21,22)2-1-7(13)10(16)17/h3-4,7,11,15,18H,1-2,13H2,(H,16,17)(H,21,22)/t7-,11+/m0/s1","XLCBJZCNPXZIGH-WRWORJQWSA-N",{"$nulls":3},53800]
[11401,"7nt9_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDM50401915","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCC2)ncc1C1CC1)C1CCC1","InChI=1S/C22H31N7O/c30-21(16-4-1-5-16)24-11-3-10-23-20-19(15-8-9-15)13-25-22(28-20)27-17-12-26-29(14-17)18-6-2-7-18/h12-16,18H,1-11H2,(H,24,30)(H2,23,25,27,28)","WFLUXPNQSNOSDL-UHFFFAOYSA-N",null,220]
[11418,"7nt9_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDM50401920","Cc1nn(C)c2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C24H31N7O/c1-15-19-10-9-18(13-21(19)31(2)30-15)28-24-27-14-20(16-7-8-16)22(29-24)25-11-4-12-26-23(32)17-5-3-6-17/h9-10,13-14,16-17H,3-8,11-12H2,1-2H3,(H,26,32)(H2,25,27,28,29)","YQQIVRZPQZTHDO-UHFFFAOYSA-N",null,90]
[11436,"7nt9_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDM50401911","CC(C)N1CCC(CC1)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C26H40N8O/c1-18(2)33-13-9-22(10-14-33)34-17-21(15-30-34)31-26-29-16-23(19-7-8-19)24(32-26)27-11-4-12-28-25(35)20-5-3-6-20/h15-20,22H,3-14H2,1-2H3,(H,28,35)(H2,27,29,31,32)","MJCWEXGCJMNQGR-UHFFFAOYSA-N",null,3000]
[11451,"7lo4_B",0.3,"Spike protein S1","Endochitinase B1 [E322A]","Aspergillus fumigatiaffinis","BDM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,2930]
[11467,"7lo4_B",0.3,"Spike protein S1","Endochitinase B1 [M243A]","Aspergillus fumigatiaffinis","BDM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,1730]
[11484,"7lo4_B",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDM50257243","CNC(=O)NC(N)=NCCC[C@H](NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(O)=O","InChI=1S/C20H30N6O5/c1-13(27)24-15(10-7-11-23-19(21)25-20(31)22-2)17(28)26(3)16(18(29)30)12-14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-12H2,1-3H3,(H,24,27)(H,29,30)(H4,21,22,23,25,31)/t15-,16-/m0/s1","NXHZAKRRBAPHDQ-HOTGVXAUSA-N",null,12000,{"$nulls":4},5.5]
[11501,"7lo4_B",0.3,"Spike protein S1","Dual specificity phosphatase Cdc25B","Mus musculus","BDM50104696","CCCCC\\C=C\\C\\C=C\\C\\C=C\\CCCCCOC(=O)c1c(O)oc(CO)c1O","InChI=1S/C24H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-23(27)21-22(26)20(19-25)30-24(21)28/h6-7,9-10,12-13,25-26,28H,2-5,8,11,14-19H2,1H3/b7-6+,10-9+,13-12+","XUBOZZCSETXRNM-YHTMAJSVSA-N",null,1600]
[11515,"7lo4_B",0.3,"Spike protein S1","Dual specificity phosphatase Cdc25B","Mus musculus","BDM50104702","OCc1oc(O)c(C(=O)OCCCCCCCCCCCCCCCCNC(=O)OCC=C)c1O","InChI=1S/C26H43NO8/c1-2-18-34-26(32)27-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-19-33-24(30)22-23(29)21(20-28)35-25(22)31/h2,28-29,31H,1,3-20H2,(H,27,32)","IIPADWVWRZBWKO-UHFFFAOYSA-N",null,22900]
[11534,"7ldj_A",0.3,"Spike glycoprotein","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDM25468","[O-][N+](=O)c1cc2C(=O)c3cc(F)ccc3-c2cc1F","InChI=1S/C13H5F2NO3/c14-6-1-2-7-8-4-11(15)12(16(18)19)5-10(8)13(17)9(7)3-6/h1-5H","DYURKAXDBWRFLK-UHFFFAOYSA-N",null,null,44590,{"$nulls":3},7.5,"30.00 C"]
[11547,"7ldj_A",0.3,"Spike glycoprotein","Endochitinase B1 [R301K]","Aspergillus fumigatiaffinis","BDM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,1020]
[11567,"7ldj_A",0.3,"Spike glycoprotein","Endochitinase B1","Aspergillus fumigatiaffinis","BDM81342","CNC(=O)NC(N)=NCCC[C@H](NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(O)=O","InChI=1S/C24H35N7O8/c1-14(32)28-16(10-7-11-27-23(25)30-24(39)26-2)21(36)31(3)18(12-15-8-5-4-6-9-15)20(35)29-17(22(37)38)13-19(33)34/h4-6,8-9,16-18H,7,10-13H2,1-3H3,(H,28,32)(H,29,35)(H,33,34)(H,37,38)(H4,25,26,27,30,39)/t16-,17-,18-/m0/s1","UFMHANUUWPWJKF-BZSNNMDCSA-N",null,5100,{"$nulls":4},5.5]
[11584,"7cah_C",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDM25463","OC(=O)CSc1nnc2c3ccccc3c3ccccc3c2n1","InChI=1S/C17H11N3O2S/c21-14(22)9-23-17-18-15-12-7-3-1-5-10(12)11-6-2-4-8-13(11)16(15)19-20-17/h1-8H,9H2,(H,21,22)","XZGDBVGWDJBZRI-UHFFFAOYSA-N",null,null,46850,{"$nulls":3},7.5,"30.00 C"]
[11595,"7cah_C",0.3,"Spike protein S1","Endochitinase B1 [M243A]","Aspergillus fumigatiaffinis","BDM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,18000]
[11601,"7cah_C",0.3,"Spike protein S1","Endochitinase B1 [R301K]","Aspergillus fumigatiaffinis","BDM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,17000]
[11627,"7cah_C",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,810]
[11634,"7cah_C",0.3,"Spike protein S1","Endochitinase B1 [D246A]","Aspergillus fumigatiaffinis","BDM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,62000]
[11659,"7krs_C",0.3,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDM50403038","COc1ccc(C)cc1S(=O)(=O)N1CCCc2ccc(cc12)C(=O)Nc1ccc(CC(O)=O)cc1","InChI=1S/C26H26N2O6S/c1-17-5-12-23(34-2)24(14-17)35(32,33)28-13-3-4-19-8-9-20(16-22(19)28)26(31)27-21-10-6-18(7-11-21)15-25(29)30/h5-12,14,16H,3-4,13,15H2,1-2H3,(H,27,31)(H,29,30)","SQOXYOBZJLLXKB-UHFFFAOYSA-N",null,2800]
[11667,"7krs_C",0.3,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDM50403035","N[C@H](C(O)=O)c1ccc(O)cc1","InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1","LJCWONGJFPCTTL-ZETCQYMHSA-N",null,">100000"]
[11684,"6zow_D",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDM50401902","CN(C)Cc1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C24H34N6O/c1-30(2)16-17-7-11-20(12-8-17)28-24-27-15-21(18-9-10-18)22(29-24)25-13-4-14-26-23(31)19-5-3-6-19/h7-8,11-12,15,18-19H,3-6,9-10,13-14,16H2,1-2H3,(H,26,31)(H2,25,27,28,29)","FVHHRIHFFRQXRD-UHFFFAOYSA-N",null,550]
[11707,"7e7y_C",0.3,"Spike protein S1","Endochitinase B1 [E322A]","Aspergillus fumigatiaffinis","BDM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,2930]
[11717,"7e7y_C",0.3,"Spike protein S1","Endochitinase B1 [A217G]","Aspergillus fumigatiaffinis","BDM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,4240]
[11739,"7e7y_C",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDM10847","Cn1c2nc[nH]c2c(=O)n(C)c1=O","InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)","ZFXYFBGIUFBOJW-UHFFFAOYSA-N",null,1500000,{"$nulls":4},5.5,"37.00 C"]
[11750,"7nxa_C",0.5,"Spike protein S1","Histone-lysine N-methyltransferase ASH1L","Homo sapiens","BDM50530712","N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1cccc(c1)C(N)=O)C(O)=O","InChI=1S/C24H27N7O6/c25-15(24(35)36)7-6-13(5-4-12-2-1-3-14(8-12)21(27)34)9-16-18(32)19(33)23(37-16)31-11-30-17-20(26)28-10-29-22(17)31/h1-3,8,10-11,13,15-16,18-19,23,32-33H,6-7,9,25H2,(H2,27,34)(H,35,36)(H2,26,28,29)/t13-,15-,16+,18+,19+,23+/m0/s1","QRKSTGPKAQGBDD-GGPTZFPQSA-N",null,">10000"]
[11767,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM54272","ClCC(=O)N1N=C(CC1c1cccs1)c1ccco1","InChI=1S/C13H11ClN2O2S/c14-8-13(17)16-10(12-4-2-6-19-12)7-9(15-16)11-3-1-5-18-11/h1-6,10H,7-8H2","ZBZGUXCOHGXIRI-UHFFFAOYSA-N",null,694.34]
[11772,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM32271","NC(=O)c1sc2nc3CCCc3c(-c3ccco3)c2c1N","InChI=1S/C15H13N3O2S/c16-12-11-10(9-5-2-6-20-9)7-3-1-4-8(7)18-15(11)21-13(12)14(17)19/h2,5-6H,1,3-4,16H2,(H2,17,19)","RNEZSVRJTNFNAK-UHFFFAOYSA-N",null,1117]
[11800,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM39195","COC(=O)c1cccc2C(N=O)c3ccccc3-c12","InChI=1S/C15H11NO3/c1-19-15(17)12-8-4-7-11-13(12)9-5-2-3-6-10(9)14(11)16-18/h2-8,14H,1H3","DAGAGKZBUIOZKE-UHFFFAOYSA-N",null,2568]
[11804,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM5925","Cc1nc2sc(C(N)=O)c(N)c2c(C)c1CC(=O)c1ccccc1","InChI=1S/C18H17N3O2S/c1-9-12(8-13(22)11-6-4-3-5-7-11)10(2)21-18-14(9)15(19)16(24-18)17(20)23/h3-7H,8,19H2,1-2H3,(H2,20,23)","HMLNXHABJLZURU-UHFFFAOYSA-N",null,2634]
[11833,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42986","CSC1=NC(C)(C)CC2(CC(Oc3cc(O)ccc23)c2ccccc2)N1","InChI=1S/C21H24N2O2S/c1-20(2)13-21(23-19(22-20)26-3)12-18(14-7-5-4-6-8-14)25-17-11-15(24)9-10-16(17)21/h4-11,18,24H,12-13H2,1-3H3,(H,22,23)","IKQVAWAYEBGDCK-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[11836,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42989","CCOC(=O)C1=NN(C2=NC(C)=C(C(N12)c1cccs1)C(=O)OC)c1cccc(Cl)c1","InChI=1S/C21H19ClN4O4S/c1-4-30-20(28)18-24-26(14-8-5-7-13(22)11-14)21-23-12(2)16(19(27)29-3)17(25(18)21)15-9-6-10-31-15/h5-11,17H,4H2,1-3H3","KZZAEOSWPHIXMP-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[11850,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43002","COc1cc(ccc1OCc1ccccc1)C1CC(=O)N2CN(Cc3ccccc3)CSC2=C1C#N","InChI=1S/C29H27N3O3S/c1-34-27-14-23(12-13-26(27)35-18-22-10-6-3-7-11-22)24-15-28(33)32-19-31(17-21-8-4-2-5-9-21)20-36-29(32)25(24)16-30/h2-14,24H,15,17-20H2,1H3","LZLBQWNYNRVULB-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[11867,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43017","Cc1cc(C)c(C#N)c(SCc2cc3OCOc3cc2Cl)n1","InChI=1S/C16H13ClN2O2S/c1-9-3-10(2)19-16(12(9)6-18)22-7-11-4-14-15(5-13(11)17)21-8-20-14/h3-5H,7-8H2,1-2H3","XWIRVUIKWOCNBQ-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[11884,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43032","Cc1c(Cl)cccc1NC(=O)C1S\\C(=N/c2ccccc2)C(=C1N)c1nc2ccccc2s1","InChI=1S/C25H19ClN4OS2/c1-14-16(26)10-7-12-17(14)29-23(31)22-21(27)20(24(33-22)28-15-8-3-2-4-9-15)25-30-18-11-5-6-13-19(18)32-25/h2-13,22H,27H2,1H3,(H,29,31)/b28-24-","NDRPKQJLWFUBLT-COOPMVRXSA-N",{"$nulls":3},">79370"]
[11900,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43047","N#Cc1c(SCc2nnc(o2)-c2ccccc2)nc(cc1-c1ccccc1)-c1ccccc1","InChI=1S/C27H18N4OS/c28-17-23-22(19-10-4-1-5-11-19)16-24(20-12-6-2-7-13-20)29-27(23)33-18-25-30-31-26(32-25)21-14-8-3-9-15-21/h1-16H,18H2","LOFPBEUCAOSEMV-UHFFFAOYSA-N",{"$nulls":3},27630]
[11915,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43061","CCCOc1cc(ccc1C=C(C#N)c1nc2ccc(C)cc2[nH]1)N(CC)CC","InChI=1S/C24H28N4O/c1-5-12-29-23-15-20(28(6-2)7-3)10-9-18(23)14-19(16-25)24-26-21-11-8-17(4)13-22(21)27-24/h8-11,13-15H,5-7,12H2,1-4H3,(H,26,27)","JUMIAJFEKXTUFO-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[11933,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43193","COc1ccc(NC(=O)COC(=O)c2cccc(c2)S(=O)(=O)N(C)C)cc1","InChI=1S/C18H20N2O6S/c1-20(2)27(23,24)16-6-4-5-13(11-16)18(22)26-12-17(21)19-14-7-9-15(25-3)10-8-14/h4-11H,12H2,1-3H3,(H,19,21)","NELBHZCZNQLZPK-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[11950,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43083","CCOC(=O)c1c(NC(=O)C(C)Sc2cn(C)c3ccccc23)sc2CCCc12","InChI=1S/C22H24N2O3S2/c1-4-27-22(26)19-15-9-7-11-17(15)29-21(19)23-20(25)13(2)28-18-12-24(3)16-10-6-5-8-14(16)18/h5-6,8,10,12-13H,4,7,9,11H2,1-3H3,(H,23,25)","MOPWGVGTACZIBN-UHFFFAOYSA-N",{"$nulls":3},32270]
[11964,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43097","Clc1c(sc2ccccc12)C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl","InChI=1S/C16H9Cl3N2O3S/c17-8-5-10(18)15(20-6-8)21-12(22)7-24-16(23)14-13(19)9-3-1-2-4-11(9)25-14/h1-6H,7H2,(H,20,21,22)","LMVFOVNTCFKIKH-UHFFFAOYSA-N",{"$nulls":3},25490]
[11983,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43115","Clc1ccc(CNC(=S)Nc2ccccc2)c(Cl)c1","InChI=1S/C14H12Cl2N2S/c15-11-7-6-10(13(16)8-11)9-17-14(19)18-12-4-2-1-3-5-12/h1-8H,9H2,(H2,17,18,19)","UZZSBHPQFNQHIB-UHFFFAOYSA-N",{"$nulls":3},67270]
[11995,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43127","CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3cccs3)cc2)s1","InChI=1S/C18H17N5O3S4/c1-2-16-21-22-18(29-16)23-30(25,26)14-8-5-12(6-9-14)19-17(27)20-15(24)10-7-13-4-3-11-28-13/h3-11H,2H2,1H3,(H,22,23)(H2,19,20,24,27)","WTPRTNHBCHQUHY-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[12016,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43147","Cc1ccc(-c2ccc(\\C=C(/C#N)C(N)=S)o2)c(c1)[N+]([O-])=O","InChI=1S/C15H11N3O3S/c1-9-2-4-12(13(6-9)18(19)20)14-5-3-11(21-14)7-10(8-16)15(17)22/h2-7H,1H3,(H2,17,22)/b10-7+","WNFFLNGHQAIDAE-JXMROGBWSA-N",{"$nulls":3},">79370"]
[12033,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43164","O=C(CSc1cccc2cccnc12)NN=Cc1cccnc1","InChI=1S/C17H14N4OS/c22-16(21-20-11-13-4-2-8-18-10-13)12-23-15-7-1-5-14-6-3-9-19-17(14)15/h1-11H,12H2,(H,21,22)","XNMJLYBOAQIMJK-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[12043,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43174","CCOC(=O)CS(=O)(=O)c1ccc(O)cc1","InChI=1S/C10H12O5S/c1-2-15-10(12)7-16(13,14)9-5-3-8(11)4-6-9/h3-6,11H,2,7H2,1H3","OXUQFZVZJDLHGC-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[12066,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM63772","OC(=O)CCN1C(=S)S\\C(=C/c2ccc(OCC=C)cc2)C1=O","InChI=1S/C16H15NO4S2/c1-2-9-21-12-5-3-11(4-6-12)10-13-15(20)17(16(22)23-13)8-7-14(18)19/h2-6,10H,1,7-9H2,(H,18,19)/b13-10-","AEZGVSCOIZTTBC-RAXLEYEMSA-N",null,3470]
[12075,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM50262","Clc1cccc(NC(=O)Nc2nnc(s2)-c2ccncc2)c1","InChI=1S/C14H10ClN5OS/c15-10-2-1-3-11(8-10)17-13(21)18-14-20-19-12(22-14)9-4-6-16-7-5-9/h1-8H,(H2,17,18,20,21)","WAUBPIYCKFHHSE-UHFFFAOYSA-N",null,3623]
[12083,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87269","Clc1ccc(cc1)C(=O)NC(NC(=S)N1CCOCC1)C(Cl)(Cl)Cl","InChI=1S/C14H15Cl4N3O2S/c15-10-3-1-9(2-4-10)11(22)19-12(14(16,17)18)20-13(24)21-5-7-23-8-6-21/h1-4,12H,5-8H2,(H,19,22)(H,20,24)","WAMYHPVYOFPIMH-UHFFFAOYSA-N",null,3936]
[12107,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87282","Brc1cncc(c1)C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1","InChI=1S/C18H18BrN3O4/c19-14-9-13(10-20-11-14)18(24)21-15-1-3-16(4-2-15)26-12-17(23)22-5-7-25-8-6-22/h1-4,9-11H,5-8,12H2,(H,21,24)","JJKCBRXJDPHTQQ-UHFFFAOYSA-N",null,4430]
[12116,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM64729","CCCCC(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O","InChI=1S/C21H20Cl2N2O2/c1-2-3-6-18(26)25-20(15-10-8-14(22)12-17(15)23)16-9-7-13-5-4-11-24-19(13)21(16)27/h4-5,7-12,20,27H,2-3,6H2,1H3,(H,25,26)","RBZNNYFJAHVKOM-UHFFFAOYSA-N",null,4709]
[12133,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM5209","OCCC(=Cc1ccccc1)C(=O)NN=Cc1ccccc1O","InChI=1S/C18H18N2O3/c21-11-10-15(12-14-6-2-1-3-7-14)18(23)20-19-13-16-8-4-5-9-17(16)22/h1-9,12-13,21-22H,10-11H2,(H,20,23)","VAKTYADCYHVMJR-UHFFFAOYSA-N",null,5522]
[12155,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87298","Cc1ccc(\\C=C2\\SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)cc1","InChI=1S/C21H20N2O3S2/c1-14-4-6-15(7-5-14)13-18-20(26)23(21(27)28-18)12-2-3-19(25)22-16-8-10-17(24)11-9-16/h4-11,13,24H,2-3,12H2,1H3,(H,22,25)/b18-13+","KHQDGDMVFGTXLC-QGOAFFKASA-N",null,6451]
[12166,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM40958","COc1ccc(cc1)-c1cnc(N)nc1-c1ccc(OC)cc1O","InChI=1S/C18H17N3O3/c1-23-12-5-3-11(4-6-12)15-10-20-18(19)21-17(15)14-8-7-13(24-2)9-16(14)22/h3-10,22H,1-2H3,(H2,19,20,21)","CKQBIKHXMSBFTE-UHFFFAOYSA-N",null,7068]
[12187,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87276","O=C(Nc1nc2ccccc2s1)C1c2ccccc2Oc2ccccc12","InChI=1S/C21H14N2O2S/c24-20(23-21-22-15-9-3-6-12-18(15)26-21)19-13-7-1-4-10-16(13)25-17-11-5-2-8-14(17)19/h1-12,19H,(H,22,23,24)","NKOPNLUYOHOGFZ-UHFFFAOYSA-N",null,7970]
[12199,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM6565","[O-][N+](=O)c1ccc2[nH]c3c(CCNC3=O)c2c1","InChI=1S/C11H9N3O3/c15-11-10-7(3-4-12-11)8-5-6(14(16)17)1-2-9(8)13-10/h1-2,5,13H,3-4H2,(H,12,15)","OGWVNBMJFPRUIP-UHFFFAOYSA-N",null,8252]
[12216,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM3915","C1CCc2c(C1)sc1ncn3nnnc3c21","InChI=1S/C10H9N5S/c1-2-4-7-6(3-1)8-9-12-13-14-15(9)5-11-10(8)16-7/h5H,1-4H2","YLSZEAJBPAOIRD-UHFFFAOYSA-N",null,9843]
[12235,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM4385","CC(=O)c1cc2c(C)cc(=O)oc2cc1O","InChI=1S/C12H10O4/c1-6-3-12(15)16-11-5-10(14)9(7(2)13)4-8(6)11/h3-5,14H,1-2H3","AYAFDQIOLUUJHW-UHFFFAOYSA-N",null,11237]
[12249,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87319","N1c2ccccc2Sc2cnccc12","InChI=1S/C11H8N2S/c1-2-4-10-8(3-1)13-9-5-6-12-7-11(9)14-10/h1-7,13H","JAALLZGVBSLANN-UHFFFAOYSA-N",null,12683]
[12267,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM39009","CS(=O)c1nc(cc(-c2ccccc2)c1C#N)-c1ccc(Br)cc1","InChI=1S/C19H13BrN2OS/c1-24(23)19-17(12-21)16(13-5-3-2-4-6-13)11-18(22-19)14-7-9-15(20)10-8-14/h2-11H,1H3","GIJMFAXZRUVIID-UHFFFAOYSA-N",null,17070]
[12282,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM63835","Nc1nc(CCl)nc(Nc2cccc3ccccc23)n1","InChI=1S/C14H12ClN5/c15-8-12-18-13(16)20-14(19-12)17-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H3,16,17,18,19,20)","STFCNCAFZCLEQK-UHFFFAOYSA-N",null,25119]
[12299,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87310","CC(=O)C(=NNc1ccc2OCCOc2c1)C(C)=O","InChI=1S/C13H14N2O4/c1-8(16)13(9(2)17)15-14-10-3-4-11-12(7-10)19-6-5-18-11/h3-4,7,14H,5-6H2,1-2H3","ZEFDDIBCYYDKMT-UHFFFAOYSA-N",null,">35864"]
[12315,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM67646","Cc1ccc(C(=O)ON=C(N)c2ccccn2)c(Cl)c1","InChI=1S/C14H12ClN3O2/c1-9-5-6-10(11(15)8-9)14(19)20-18-13(16)12-4-2-3-7-17-12/h2-8H,1H3,(H2,16,18)","BVJVZKQFDVHEOM-UHFFFAOYSA-N",null,">35869"]
[12332,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM64413","C[C@@H](C(=O)Nc1ccc2OCCOc2c1)n1c(=O)[nH]c2ccccc2c1=O","InChI=1S/C19H17N3O5/c1-11(22-18(24)13-4-2-3-5-14(13)21-19(22)25)17(23)20-12-6-7-15-16(10-12)27-9-8-26-15/h2-7,10-11H,8-9H2,1H3,(H,20,23)(H,21,25)/t11-/m0/s1","YGIIBGUHCCDVKE-NSHDSACASA-N",null,">35876"]
[12347,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87317","CCOc1ccc(\\C=C2/SC(=S)N(CCC(O)=O)C2=O)cc1","InChI=1S/C15H15NO4S2/c1-2-20-11-5-3-10(4-6-11)9-12-14(19)16(15(21)22-12)8-7-13(17)18/h3-6,9H,2,7-8H2,1H3,(H,17,18)/b12-9-","AYUXOHIOPIWDOF-XFXZXTDPSA-N",null,">35906"]
[12349,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87277","COc1cc2[nH]c3c(Cl)ncnc3c2cc1OC","InChI=1S/C12H10ClN3O2/c1-17-8-3-6-7(4-9(8)18-2)16-11-10(6)14-5-15-12(11)13/h3-5,16H,1-2H3","ZYTJYVLZFZPVOG-UHFFFAOYSA-N",null,">35907"]
[12364,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42896","CCS(=O)(=O)N1CCN(CC1)C1CCC(CC1)c1ccccc1","InChI=1S/C18H28N2O2S/c1-2-23(21,22)20-14-12-19(13-15-20)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-7,17-18H,2,8-15H2,1H3","IPCHIQVNMWSZHV-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[12382,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42907","Cc1csc(n1)C(C#N)C(=O)c1ccncc1","InChI=1S/C12H9N3OS/c1-8-7-17-12(15-8)10(6-13)11(16)9-2-4-14-5-3-9/h2-5,7,10H,1H3","IYNXXGFYAYCLRB-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[12399,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42922","CCOC(=O)c1s\\c(=N\\C(=O)c2cc(OC)c(OC)c(OC)c2)n(C)c1C","InChI=1S/C18H22N2O6S/c1-7-26-17(22)15-10(2)20(3)18(27-15)19-16(21)11-8-12(23-4)14(25-6)13(9-11)24-5/h8-9H,7H2,1-6H3/b19-18+","WATAXJWZQCJLGM-VHEBQXMUSA-N",{"$nulls":3},49670]
[12412,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42935","COc1ccc(cc1)C(=O)C(C)(C)NO","InChI=1S/C11H15NO3/c1-11(2,12-14)10(13)8-4-6-9(15-3)7-5-8/h4-7,12,14H,1-3H3","VOBIVDNKJVZLDT-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[12432,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42948","CS(=O)(=O)N(CC(=O)NCc1ccncc1)Cc1ccc(Cl)cc1","InChI=1S/C16H18ClN3O3S/c1-24(22,23)20(11-14-2-4-15(17)5-3-14)12-16(21)19-10-13-6-8-18-9-7-13/h2-9H,10-12H2,1H3,(H,19,21)","QZYGFPXRYNFRMF-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[12443,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42957","COc1ccc(cc1OC)-c1noc(n1)-c1ccc(Br)o1","InChI=1S/C14H11BrN2O4/c1-18-9-4-3-8(7-11(9)19-2)13-16-14(21-17-13)10-5-6-12(15)20-10/h3-7H,1-2H3","IEZABUFWYBBOIC-UHFFFAOYSA-N",{"$nulls":3},68630]
[12465,"6xs6_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDM50401913","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O2/c31-22(17-3-1-4-17)25-10-2-9-24-21-20(16-5-6-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-11-32-12-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BPUHLRZXPRJIDO-UHFFFAOYSA-N",null,280]
[12482,"6xs6_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDM50401914","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O/c31-22(17-5-3-6-17)25-12-4-11-24-21-20(16-9-10-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-1-2-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BGULRIZNMKERDJ-UHFFFAOYSA-N",null,93]
[12492,"6xs6_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDM50401905","O=C(NCCCNc1nc(Nc2cccc(c2)-c2cnco2)ncc1C1CC1)C1CCC1","InChI=1S/C24H28N6O2/c31-23(17-4-1-5-17)27-11-3-10-26-22-20(16-8-9-16)13-28-24(30-22)29-19-7-2-6-18(12-19)21-14-25-15-32-21/h2,6-7,12-17H,1,3-5,8-11H2,(H,27,31)(H2,26,28,29,30)","DHEGBWHMLXDRTE-UHFFFAOYSA-N",null,560]
[12515,"7klw_A",0.3,"Spike protein S1","Endochitinase B1 [T138A]","Aspergillus fumigatiaffinis","BDM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,1210]
[12523,"7klw_A",0.3,"Spike protein S1","Endochitinase B1 [R301K]","Aspergillus fumigatiaffinis","BDM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,1020]
[12548,"7klw_A",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,810]
[12555,"7klw_A",0.3,"Spike protein S1","Endochitinase B1 [D246A]","Aspergillus fumigatiaffinis","BDM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,62000]
[12581,"7det_A",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,1100,{"$nulls":4},5.5,"37.00 C"]
[12582,"7det_A",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDM81341","CNC(=O)NC(N)=NCCC[C@H](NC(=O)[C@@H](C)NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(O)=O","InChI=1S/C27H40N8O9/c1-15(31-16(2)36)22(39)32-18(11-8-12-30-26(28)34-27(44)29-3)24(41)35(4)20(13-17-9-6-5-7-10-17)23(40)33-19(25(42)43)14-21(37)38/h5-7,9-10,15,18-20H,8,11-14H2,1-4H3,(H,31,36)(H,32,39)(H,33,40)(H,37,38)(H,42,43)(H4,28,29,30,34,44)/t15-,18+,19+,20+/m1/s1","SJHMDURLSNWSOY-TTYHFUOFSA-N",null,4300,{"$nulls":4},5.5]
[12603,"7det_A",0.3,"Spike protein S1","Endochitinase B1 [M243A]","Aspergillus fumigatiaffinis","BDM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,18000]
[12615,"6zoy_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50305351","C[C@H](CN)O[C@@H](Cc1cn(cn1)-c1ccccn1)C(O)=O","InChI=1S/C14H18N4O3/c1-10(7-15)21-12(14(19)20)6-11-8-18(9-17-11)13-4-2-3-5-16-13/h2-5,8-10,12H,6-7,15H2,1H3,(H,19,20)/t10-,12+/m1/s1","QOJWERXDJOWTNM-PWSUYJOCSA-N",5.8]
[12635,"6zoy_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50226608","NCCN[C@@H](Cc1cn(Cc2ccccc2)cn1)C(O)=O","InChI=1S/C15H20N4O2/c16-6-7-17-14(15(20)21)8-13-10-19(11-18-13)9-12-4-2-1-3-5-12/h1-5,10-11,14,17H,6-9,16H2,(H,20,21)/t14-/m0/s1","RZHAWQYSDSVTHN-AWEZNQCLSA-N",269]
[12648,"6zoy_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50226612","NCCN[C@H](Cc1cnc[nH]1)C(O)=O","InChI=1S/C8H14N4O2/c9-1-2-11-7(8(13)14)3-6-4-10-5-12-6/h4-5,7,11H,1-3,9H2,(H,10,12)(H,13,14)/t7-/m1/s1","HRGIXOAUBWGTCB-SSDOTTSWSA-N",17000]
[12665,"6zoy_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50395732","Nc1ccc(CC(C[Se][Se]CC(Cc2ccc(N)nc2)C(O)=O)C(O)=O)cn1","InChI=1S/C18H22N4O4Se2/c19-15-3-1-11(7-21-15)5-13(17(23)24)9-27-28-10-14(18(25)26)6-12-2-4-16(20)22-8-12/h1-4,7-8,13-14H,5-6,9-10H2,(H2,19,21)(H2,20,22)(H,23,24)(H,25,26)","MYECLQPAUDYVIW-UHFFFAOYSA-N",null,2]
[12683,"6zoy_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50395734","NCCCCCC(C[Se]C(=O)CCCc1ccccc1)C(O)=O","InChI=1S/C18H27NO3Se/c19-13-6-2-5-11-16(18(21)22)14-23-17(20)12-7-10-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14,19H2,(H,21,22)","KMMJFXKNWGNVOX-UHFFFAOYSA-N",null,4.1]
[12698,"6zoy_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM109254","C[C@H](CN)OC(Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O","InChI=1S/C16H27N3O3/c1-11-3-5-14(6-4-11)19-9-13(18-10-19)7-15(16(20)21)22-12(2)8-17/h9-12,14-15H,3-8,17H2,1-2H3,(H,20,21)/t11-,12-,14-,15?/m1/s1","SXFRUTCVXKOOAP-TVAMOIRASA-N",null,7]
[12715,"6zoy_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM109239","CC[C@H]1CC[C@@H](CC1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C17H29N3O2/c1-2-13-5-7-16(8-6-13)20-11-15(19-12-20)10-14(17(21)22)4-3-9-18/h11-14,16H,2-10,18H2,1H3,(H,21,22)/t13-,14?,16-","FDZCUYWSKODDEJ-AHJVLWBFSA-N",null,8.8]
[12731,"6zoy_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM173923","CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)cc2F","InChI=1S/C27H36FN5O6/c1-16(2)22-15-38-9-3-4-10-39-23-7-5-17(11-19(23)28)12-20(25(34)31-22)32-27(37)33-21(26(35)36)13-18-6-8-24(29)30-14-18/h5-8,11,14,16,20-22H,3-4,9-10,12-13,15H2,1-2H3,(H2,29,30)(H,31,34)(H,35,36)(H2,32,33,37)/t20-,21+,22-/m1/s1","PXDQHVXCCCTJKZ-BHIFYINESA-N",null,12,{"$nulls":4},7.4,"25.00 C"]
[12748,"6zoy_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM326379","COc1ccc(nc1)-n1cnc(c1)C1(CC1CCCNC(=O)OC(C)(C)C)C#N","InChI=1S/C21H27N5O3/c1-20(2,3)29-19(27)23-9-5-6-15-10-21(15,13-22)17-12-26(14-25-17)18-8-7-16(28-4)11-24-18/h7-8,11-12,14-15H,5-6,9-10H2,1-4H3,(H,23,27)","QELFMTDIVROIAE-UHFFFAOYSA-N",null,16]
[12763,"6zoy_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM109237","NCCCC(Cc1cn(cn1)C1CCCCC1)C(O)=O","InChI=1S/C15H25N3O2/c16-8-4-5-12(15(19)20)9-13-10-18(11-17-13)14-6-2-1-3-7-14/h10-12,14H,1-9,16H2,(H,19,20)","FNFACZYHQHRMSK-UHFFFAOYSA-N",null,21]
[12781,"6zoy_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM326339","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)C1CCCCC1","InChI=1S/C27H43N3O6/c1-25(2,3)35-23(32)30(24(33)36-26(4,5)6)15-11-12-19-16-27(19,22(31)34-7)21-17-29(18-28-21)20-13-9-8-10-14-20/h17-20H,8-16H2,1-7H3","QEDCJYLUJWBGTA-UHFFFAOYSA-N",null,29]
[12795,"6zoy_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM326371","CC(CCN)C1CC1(C(O)=O)c1cn(cn1)-c1ccccc1","InChI=1S/C17H21N3O2/c1-12(7-8-18)14-9-17(14,16(21)22)15-10-20(11-19-15)13-5-3-2-4-6-13/h2-6,10-12,14H,7-9,18H2,1H3,(H,21,22)","LIFRHKYTAAVMDJ-UHFFFAOYSA-N",null,36]
[12814,"6zoy_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50197526","Cl.CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C25H46N4O5S.ClH/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26;/h17-21,28-29H,4-16,26H2,1-3H3,(H,27,30)(H,31,32);1H/t18-,19+,20+,21+,25+;/m1./s1","SXAUCWSUBICAAS-LZZNFXAASA-N",null,51]
[12827,"6zoy_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM326380","CC(C)(C)OC(=O)NCCCC1CC1(C#N)c1cn(cn1)-c1ccc(Cl)cn1","InChI=1S/C20H24ClN5O2/c1-19(2,3)28-18(27)23-8-4-5-14-9-20(14,12-22)16-11-26(13-25-16)17-7-6-15(21)10-24-17/h6-7,10-11,13-14H,4-5,8-9H2,1-3H3,(H,23,27)","IUDMMFRBQQBMGJ-UHFFFAOYSA-N",null,63]
[12831,"6zoy_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM326354","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1cccc(Cl)c1","InChI=1S/C28H38ClN3O6/c1-8-36-23(33)28(22-17-31(18-30-22)21-13-9-12-20(29)15-21)16-19(28)11-10-14-32(24(34)37-26(2,3)4)25(35)38-27(5,6)7/h9,12-13,15,17-19H,8,10-11,14,16H2,1-7H3","KTLVMHNIYOLAOG-UHFFFAOYSA-N",null,70]
[12848,"6zoy_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM109251","C[C@H]1CC[C@@H](CC1)n1cnc(C[C@@H](CCCN)C(O)=O)c1","InChI=1S/C16H27N3O2/c1-12-4-6-15(7-5-12)19-10-14(18-11-19)9-13(16(20)21)3-2-8-17/h10-13,15H,2-9,17H2,1H3,(H,20,21)/t12-,13-,15-/m1/s1","AEHFUSPLVGWEEP-UMVBOHGHSA-N",null,">1.0e+2"]
[12875,"6zoy_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM326358","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccncc1","InChI=1S/C27H38N4O6/c1-8-35-22(32)27(21-17-30(18-29-21)20-11-13-28-14-12-20)16-19(27)10-9-15-31(23(33)36-25(2,3)4)24(34)37-26(5,6)7/h11-14,17-19H,8-10,15-16H2,1-7H3","SCXGYZUIGNKQEJ-UHFFFAOYSA-N",null,170]
[12881,"6zoy_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM50575739","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C16H25N2O4P.C2HF3O2/c17-9-5-4-8-16(15(19)20)13-18(10-11-23(16,21)22)12-14-6-2-1-3-7-14;3-2(4,5)1(6)7/h1-3,6-7H,4-5,8-13,17H2,(H,19,20)(H,21,22);(H,6,7)","UXRVDUNGIGAHRC-UHFFFAOYSA-N",null,200]
[12906,"6zoy_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM50575752","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccccn2)CCP1(O)=O)C(O)=O","InChI=1S/C15H24N3O4P.C2HF3O2/c16-7-3-2-6-15(14(19)20)12-18(9-10-23(15,21)22)11-13-5-1-4-8-17-13;3-2(4,5)1(6)7/h1,4-5,8H,2-3,6-7,9-12,16H2,(H,19,20)(H,21,22);(H,6,7)","RLTFNRHVYOETOJ-UHFFFAOYSA-N",null,500]
[12914,"6zoy_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50197550","NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CCC2CCCCC2C1)C(O)=O","InChI=1S/C25H46N4O5S/c26-15-7-6-12-22(25(31)32)28-35(33,34)29-23(16-18-8-2-1-3-9-18)24(30)27-21-14-13-19-10-4-5-11-20(19)17-21/h18-23,28-29H,1-17,26H2,(H,27,30)(H,31,32)/t19?,20?,21?,22-,23-/m0/s1","ACZMKSFVIZOHQL-WBLOSPSNSA-N",null,670]
[12931,"6zoy_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50197574","CCC[C@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C","InChI=1S/C21H40N4O5S/c1-5-8-15(24-31(29,30)25-16(19(27)28)9-6-7-12-22)18(26)23-17-13-14-10-11-21(17,4)20(14,2)3/h14-17,24-25H,5-13,22H2,1-4H3,(H,23,26)(H,27,28)/t14-,15+,16+,17+,21+/m1/s1","TUNXZSSDGLMJOX-RZSFDFLPSA-N",null,1100]
[12955,"6zoy_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50395729","CCOC(=O)C(C[Se]C(=O)CC)Cc1cnc(N)c(Cl)c1","InChI=1S/C14H19ClN2O3Se/c1-3-12(18)21-8-10(14(19)20-4-2)5-9-6-11(15)13(16)17-7-9/h6-7,10H,3-5,8H2,1-2H3,(H2,16,17)","KUNRSCIAQGRNQR-UHFFFAOYSA-N",null,2600]
[12964,"6zoy_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50197563","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O","InChI=1S/C25H41N5O5S/c1-24(2)17-9-10-25(24,3)21(12-17)28-22(31)19(11-16-7-5-4-6-8-16)29-36(34,35)30-20(23(32)33)13-18-14-26-15-27-18/h14-17,19-21,29-30H,4-13H2,1-3H3,(H,26,27)(H,28,31)(H,32,33)/t17-,19+,20+,21+,25+/m1/s1","MWDYDFUMFPIWRS-FAJCANAKSA-N",null,4400]
[12986,"6zoy_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM50575744","OC(=O)C(F)(F)F.NCCCCC1(CNCCP1(O)=O)C(O)=O","InChI=1S/C9H19N2O4P.C2HF3O2/c10-4-2-1-3-9(8(12)13)7-11-5-6-16(9,14)15;3-2(4,5)1(6)7/h11H,1-7,10H2,(H,12,13)(H,14,15);(H,6,7)","SNYGSVSENJFZFI-UHFFFAOYSA-N",null,9300]
[12997,"6zoy_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM50575728","OC(=O)C(F)(F)F.NCCCCCC1(CCCP1(O)=O)C(O)=O","InChI=1S/C10H20NO4P.C2HF3O2/c11-7-3-1-2-5-10(9(12)13)6-4-8-16(10,14)15;3-2(4,5)1(6)7/h1-8,11H2,(H,12,13)(H,14,15);(H,6,7)","XBJIYYNAOAZQNT-UHFFFAOYSA-N",null,18000]
[13014,"6zoy_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM50575767","NCCCCC1(CN(Cc2ccccc2Oc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C22H29N2O5P/c23-13-7-6-12-22(21(25)26)17-24(14-15-30(22,27)28)16-18-8-4-5-11-20(18)29-19-9-2-1-3-10-19/h1-5,8-11H,6-7,12-17,23H2,(H,25,26)(H,27,28)","HJMUGZLCPOUGGN-UHFFFAOYSA-N",null,">30000"]
[13020,"6zoy_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM50575750","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccncc2)CCP1(O)=O)C(O)=O","InChI=1S/C15H24N3O4P.C2HF3O2/c16-6-2-1-5-15(14(19)20)12-18(9-10-23(15,21)22)11-13-3-7-17-8-4-13;3-2(4,5)1(6)7/h3-4,7-8H,1-2,5-6,9-12,16H2,(H,19,20)(H,21,22);(H,6,7)","QEBCYXQAFHKXPG-UHFFFAOYSA-N",null,">30000"]
[13047,"6zoy_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDM50401917","CCn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C20H29N7O/c1-2-27-13-16(11-24-27)25-20-23-12-17(14-7-8-14)18(26-20)21-9-4-10-22-19(28)15-5-3-6-15/h11-15H,2-10H2,1H3,(H,22,28)(H2,21,23,25,26)","ATGOJZIHHQXMBT-UHFFFAOYSA-N",null,140]
[13051,"6zoy_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDM50401913","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O2/c31-22(17-3-1-4-17)25-10-2-9-24-21-20(16-5-6-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-11-32-12-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BPUHLRZXPRJIDO-UHFFFAOYSA-N",null,280]
[13080,"6zoy_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50226611","NCCN[C@@H](Cc1cn(CCCO)cn1)C(O)=O","InChI=1S/C11H20N4O3/c12-2-3-13-10(11(17)18)6-9-7-15(8-14-9)4-1-5-16/h7-8,10,13,16H,1-6,12H2,(H,17,18)/t10-/m0/s1","RCYDGVHMVIQVSF-JTQLQIEISA-N",111]
[13083,"6zoy_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50226607","NCCCC(Cc1cnc[nH]1)C(O)=O","InChI=1S/C9H15N3O2/c10-3-1-2-7(9(13)14)4-8-5-11-6-12-8/h5-7H,1-4,10H2,(H,11,12)(H,13,14)","BJQWDKXNACRDDN-UHFFFAOYSA-N",140]
[13097,"6zoy_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM81905","Cc1cc(C)cc(c1)-c1nnc(SCC(=O)N2CCCc3ccccc23)o1","InChI=1S/C21H21N3O2S/c1-14-10-15(2)12-17(11-14)20-22-23-21(26-20)27-13-19(25)24-9-5-7-16-6-3-4-8-18(16)24/h3-4,6,8,10-12H,5,7,9,13H2,1-2H3","SVVCCBBUWWVOLZ-UHFFFAOYSA-N",7400]
[13114,"6zoy_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50395731","CCOC(=O)C(C[Se]C(=O)CC)Cc1ccc(N)nc1","InChI=1S/C14H20N2O3Se/c1-3-13(17)20-9-11(14(18)19-4-2)7-10-5-6-12(15)16-8-10/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,15,16)","UHQFZYXCXBJDLU-UHFFFAOYSA-N",null,1.8]
[13131,"6zoy_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50395729","CCOC(=O)C(C[Se]C(=O)CC)Cc1cnc(N)c(Cl)c1","InChI=1S/C14H19ClN2O3Se/c1-3-12(18)21-8-10(14(19)20-4-2)5-9-6-11(15)13(16)17-7-9/h6-7,10H,3-5,8H2,1-2H3,(H2,16,17)","KUNRSCIAQGRNQR-UHFFFAOYSA-N",null,">3.8"]
[13147,"6zoy_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50135936","CCCCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O","InChI=1S/C15H20N4O2/c1-2-3-6-19-9-13(18-10-19)12(15(20)21)7-11-4-5-14(16)17-8-11/h4-5,8-10,12H,2-3,6-7H2,1H3,(H2,16,17)(H,20,21)","RCFXGCBFYOZPJW-UHFFFAOYSA-N",null,6]
[13163,"6zoy_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50135939","NC(=N)CCCSCC(CS)C(O)=O","InChI=1S/C8H16N2O2S2/c9-7(10)2-1-3-14-5-6(4-13)8(11)12/h6,13H,1-5H2,(H3,9,10)(H,11,12)","NEFADNFNASLUBS-UHFFFAOYSA-N",null,8.2]
[13180,"6zoy_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM326383","NCCC[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C15H18N4O2/c16-6-3-4-11-8-15(11,14(20)21)12-9-19(10-18-12)13-5-1-2-7-17-13/h1-2,5,7,9-11H,3-4,6,8,16H2,(H,20,21)/t11-,15+/m0/s1","AQKZQQRNPNJJEQ-XHDPSFHLSA-N",null,11]
[13197,"6zoy_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM326365","NCCC[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccc1","InChI=1S/C16H19N3O2/c17-8-4-5-12-9-16(12,15(20)21)14-10-19(11-18-14)13-6-2-1-3-7-13/h1-3,6-7,10-12H,4-5,8-9,17H2,(H,20,21)/t12-,16+/m0/s1","YKCVEFPDNCZBMZ-BLLLJJGKSA-N",null,15]
[13211,"6zoy_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM109244","CC1(O)CCC(CC1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C16H27N3O3/c1-16(22)6-4-14(5-7-16)19-10-13(18-11-19)9-12(15(20)21)3-2-8-17/h10-12,14,22H,2-9,17H2,1H3,(H,20,21)","GESSUOCTJXXJDY-UHFFFAOYSA-N",null,19]
[13230,"6zoy_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50197528","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1ccc(N)nc1)C(O)=O","InChI=1S/C27H43N5O5S/c1-26(2)19-11-12-27(26,3)22(15-19)30-24(33)20(13-17-7-5-4-6-8-17)31-38(36,37)32-21(25(34)35)14-18-9-10-23(28)29-16-18/h9-10,16-17,19-22,31-32H,4-8,11-15H2,1-3H3,(H2,28,29)(H,30,33)(H,34,35)/t19-,20+,21+,22+,27+/m1/s1","QHXMEEQJYRVZQW-HKVSAHRDSA-N",null,26]
[13243,"6zoy_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM173930","CC(C)[C@H]1COCC(O)CCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C25H40N4O7/c1-16(2)22-15-35-14-18(30)10-12-36-19-8-6-17(7-9-19)13-21(23(31)27-22)29-25(34)28-20(24(32)33)5-3-4-11-26/h6-9,16,18,20-22,30H,3-5,10-15,26H2,1-2H3,(H,27,31)(H,32,33)(H2,28,29,34)/t18?,20-,21+,22+/m0/s1","HRYCSZDOJDGWOJ-DGWNDXHESA-N",null,33,{"$nulls":4},7.4,"25.00 C"]
[13263,"6zoy_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50547477","CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)c2coc1n2)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C21H34N6O6/c1-12(2)16-19-24-15(11-33-19)17(28)23-10-6-4-7-13(18(29)27-16)25-21(32)26-14(20(30)31)8-3-5-9-22/h11-14,16H,3-10,22H2,1-2H3,(H,23,28)(H,27,29)(H,30,31)(H2,25,26,32)/t13-,14+,16+/m1/s1","IVSZWCXUYIMPML-YCPHGPKFSA-N",null,42]
[13275,"6zoy_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50089743","CC(C)C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC1CC2(C)CCC1C2(C)C","InChI=1S/C23H42N4O4/c1-14(2)12-17(27-21(31)26-16(20(29)30)8-6-7-11-24)19(28)25-18-13-23(5)10-9-15(18)22(23,3)4/h14-18H,6-13,24H2,1-5H3,(H,25,28)(H,29,30)(H2,26,27,31)/t15?,16-,17+,18?,23?/m0/s1","DPOMCPGADCDXDE-PPFFOOAHSA-N",null,57]
[13296,"6zoy_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM326349","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(\\C=C\\c2ccccc2)cn1","InChI=1S/C29H39N3O6/c1-27(2,3)37-25(34)32(26(35)38-28(4,5)6)16-11-14-22-18-29(22,24(33)36-7)23-19-31(20-30-23)17-15-21-12-9-8-10-13-21/h8-10,12-13,15,17,19-20,22H,11,14,16,18H2,1-7H3/b17-15+","RFSLRCSKCVQREA-BMRADRMJSA-N",null,99]
[13313,"6zoy_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50089737","NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NCC(c1ccccc1)c1ccccc1)C(O)=O","InChI=1S/C30H42N4O4/c31-19-11-10-18-26(29(36)37)33-30(38)34-27(20-22-12-4-1-5-13-22)28(35)32-21-25(23-14-6-2-7-15-23)24-16-8-3-9-17-24/h2-3,6-9,14-17,22,25-27H,1,4-5,10-13,18-21,31H2,(H,32,35)(H,36,37)(H2,33,34,38)/t26-,27+/m0/s1","MAADCGOFVALXMT-RRPNLBNLSA-N",null,120]
[13323,"6zoy_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM50575760","NCCCCC1(CN(Cc2ccccc2Cl)CCP1(O)=O)C(O)=O","InChI=1S/C16H24ClN2O4P/c17-14-6-2-1-5-13(14)11-19-9-10-24(22,23)16(12-19,15(20)21)7-3-4-8-18/h1-2,5-6H,3-4,7-12,18H2,(H,20,21)(H,22,23)","MDZLUBDITWWUHN-UHFFFAOYSA-N",null,161]
[13330,"6zoy_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50089695","CCC(C)C(C)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C22H42N4O4/c1-4-15(2)16(3)24-20(27)19(14-17-10-6-5-7-11-17)26-22(30)25-18(21(28)29)12-8-9-13-23/h15-19H,4-14,23H2,1-3H3,(H,24,27)(H,28,29)(H2,25,26,30)/t15?,16?,18-,19+/m0/s1","QESTYHACMRZORU-YVZJPGBNSA-N",null,190]
[13355,"6zoy_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50089744","CC(C)[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC1CC2(C)CCC1C2(C)C","InChI=1S/C22H40N4O4/c1-13(2)17(26-20(30)25-15(19(28)29)8-6-7-11-23)18(27)24-16-12-22(5)10-9-14(16)21(22,3)4/h13-17H,6-12,23H2,1-5H3,(H,24,27)(H,28,29)(H2,25,26,30)/t14?,15-,16?,17+,22?/m0/s1","VRXVYEBSAQCPLH-CTUUPLLYSA-N",null,460]
[13363,"6zoy_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50008276","NCCCC1(CCc2c(C1)ncn2-c1ccccc1)C(O)=O","InChI=1S/C17H21N3O2/c18-10-4-8-17(16(21)22)9-7-15-14(11-17)19-12-20(15)13-5-2-1-3-6-13/h1-3,5-6,12H,4,7-11,18H2,(H,21,22)","GBGNYJCWTUIJPT-UHFFFAOYSA-N",null,585]
[13380,"6zoy_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50201433","NC(=N)N1CCC(CC1)C(CS)C(O)=O","InChI=1S/C9H17N3O2S/c10-9(11)12-3-1-6(2-4-12)7(5-15)8(13)14/h6-7,15H,1-5H2,(H3,10,11)(H,13,14)","NDKUATGVOUGBIH-UHFFFAOYSA-N",null,1070]
[13403,"6zoy_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50395733","NCCCCCC(C[Se]C(=O)CCc1ccccc1)C(O)=O","InChI=1S/C17H25NO3Se/c18-12-6-2-5-9-15(17(20)21)13-22-16(19)11-10-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13,18H2,(H,20,21)","JNRHODQLZKDDMA-UHFFFAOYSA-N",null,2000]
[13413,"6zoy_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50395730","Nc1ncc(CC(C[Se][Se]CC(Cc2cnc(N)c(Cl)c2)C(O)=O)C(O)=O)cc1Cl","InChI=1S/C18H20Cl2N4O4Se2/c19-13-3-9(5-23-15(13)21)1-11(17(25)26)7-29-30-8-12(18(27)28)2-10-4-14(20)16(22)24-6-10/h3-6,11-12H,1-2,7-8H2,(H2,21,23)(H2,22,24)(H,25,26)(H,27,28)","LKLRNWHRLUKWFJ-UHFFFAOYSA-N",null,3300]
[13434,"6zoy_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50201436","NCC(=O)N1CCC(CC1)C(CS)C(O)=O","InChI=1S/C10H18N2O3S/c11-5-9(13)12-3-1-7(2-4-12)8(6-16)10(14)15/h7-8,16H,1-6,11H2,(H,14,15)","NPCZDASYWFJQJA-UHFFFAOYSA-N",null,7350]
[13446,"6zoy_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50144318","CNc1ccc(CC(C(O)=O)c2cnc[nH]2)cn1","InChI=1S/C12H14N4O2/c1-13-11-3-2-8(5-15-11)4-9(12(17)18)10-6-14-7-16-10/h2-3,5-7,9H,4H2,1H3,(H,13,15)(H,14,16)(H,17,18)","BOHWPWFPCZGWLB-UHFFFAOYSA-N",null,13000]
[13463,"6zoy_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM50144319","CNCCCCC(C(O)=O)c1cnc[nH]1","InChI=1S/C10H17N3O2/c1-11-5-3-2-4-8(10(14)15)9-6-12-7-13-9/h6-8,11H,2-5H2,1H3,(H,12,13)(H,14,15)","FKWZRTDRIWYJKY-UHFFFAOYSA-N",null,26000]
[13483,"6zfo_A",0.4,"Spike glycoprotein","Histone-lysine N-methyltransferase ASH1L","Homo sapiens","BDM19230892","N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1cccc(c1)C(N)=O)C(O)=O","InChI=1S/C24H27N7O6/c25-15(24(35)36)7-6-13(5-4-12-2-1-3-14(8-12)21(27)34)9-16-18(32)19(33)23(37-16)31-11-30-17-20(26)28-10-29-22(17)31/h1-3,8,10-11,13,15-16,18-19,23,32-33H,6-7,9,25H2,(H2,27,34)(H,35,36)(H2,26,28,29)/t13-,15-,16+,18+,19+,23+/m0/s1","QRKSTGPKAQGBDD-GGPTZFPQSA-N",null,">10000",33532.2343311834,{"$nulls":3},6.73721047198511]
[13496,"6zfo_A",0.4,"Spike glycoprotein","Endochitinase B1 [R301K]","Aspergillus fumigatiaffinis","BDM19233427","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s2","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,33540.4826907248,{"$nulls":3},6.73721620981906]
[13514,"6zfo_A",0.4,"Spike glycoprotein","Endochitinase B1","Aspergillus fumigatiaffinis","BDM19236938","Cn1cnc2n(C)c(=O)n(CCCCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c13","InChI=1S/C19H24N8O4/c1-22-10-20-14-12(22)16(28)26(18(30)24(14)3)8-6-5-7-9-27-17(29)13-15(21-11-23(13)2)25(4)19(27)31/h10-11H,5-9H2,1-4H4","YJGXPSISVGOKLP-UHFFFAOYSA-N",-6004.14220873583,-32335.762586148,33551.9034962435,{"$nulls":3},6.73722415451222]
[13529,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19239863","NCCO[C@@H](Cc1cn(cn1)-c1ccccc1)C(O)=O","InChI=1S/C14H17N3O3/c15-6-7-20-13(14(18)19)8-11-9-17(10-16-11)12-4-2-1-3-5-12/h1-5,9-10,13H,6-8,15H2,(H,18,19)/t13-/m0/s2","LVCATUGNENEDGZ-ZDUSSCGKSA-N",-10003.9108876325,-65958.9667847019,33561.4208341758,{"$nulls":3},6.73723077508986]
[13546,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19243179","NCCN[C@@H](Cc1cn(CCc2ccccc2)cn1)C(O)=O","InChI=1S/C16H22N4O2/c17-7-8-18-15(16(21)22)10-14-11-20(12-19-14)9-6-13-4-2-1-3-5-13/h1-5,11-12,15,18H,6-10,17H2,(H,21,22)/t15-/m0/s2","KIBISFXBVFKORC-HNNXBMFYSA-N",-14536.9820570487,-104065.264876397,33572.2071504991,{"$nulls":3},6.73723827841118]
[13562,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19246299","OC(=O)CCSc1nnc(COc2cccc3ccccc23)n1-c1ccccc2","InChI=1S/C22H19N3O3S/c26-21(27)13-14-29-22-24-23-20(25(22)17-9-2-1-3-10-17)15-28-19-12-6-8-16-7-4-5-11-18(16)19/h1-12H,13-15H2,(H,26,27)","ONEYQUFCKREJEN-UHFFFAOYSA-N",-1532.84768159371,-139930.016021521,33582.3589776268,{"$nulls":3},6.73724534036066]
[13579,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19249615","CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C41H60N8O9/c1-25(2)34-38(54)44-31(21-18-27-16-19-29(50)20-17-27)39(55)49(4)26(3)35(51)45-33(24-28-12-6-5-7-13-28)36(52)43-23-11-9-14-30(37(53)48-34)46-41(58)47-32(40(56)57)15-8-10-22-42/h5-7,12-13,16-17,19-20,25-26,30-34,50H,8-11,14-15,18,21-24,42H2,1-4H3,(H,43,52)(H,44,54)(H,45,51)(H,48,53)(H,56,57)(H2,46,47,58)/t26-,30+,31-,32-,33-,34-/m0/s2","VNOIUJQJSYNRHB-NCUXDPMLSA-N",-3269.57420328591,-178036.314113215,33593.1452939501,{"$nulls":3},6.73725284368198]
[13594,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19252541","NCCCCCC(C[Se][Se]CC(CCCCCN)C(O)=O)C(O)=O","InChI=1S/C16H32N2O4Se2/c17-9-5-1-3-7-13(15(19)20)11-23-24-12-14(16(21)22)8-4-2-6-10-18/h13-14H,1-12,17-18H2,(H,19,20)(H,21,22)","RUZIZPNQGMERCW-UHFFFAOYSA-N",-4801.97995772021,">3.8",33602.6626318824,{"$nulls":3},6.73725946425962]
[13596,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19252931","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCNC(N)=N)C(O)=O","InChI=1S/C26H46N6O4/c1-25(2)17-11-12-26(25,3)15-20(17)30-21(33)19(14-16-8-5-4-6-9-16)32-24(36)31-18(22(34)35)10-7-13-29-23(27)28/h16-20H,4-15H2,1-3H3,(H,30,33)(H,34,35)(H4,27,28,29)(H2,31,32,36)/t17?,18-,19+,20?,26?/m0/s2","FRONFJPZPPGYAX-WKCFZQPLSA-N",-5006.30072497811,35.5287032480315,33603.9316102734,{"$nulls":3},6.7372603470033]
[13611,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19255856","CCCCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O","InChI=1S/C15H20N4O2/c1-2-3-6-19-9-13(18-10-19)12(15(20)21)7-11-4-5-14(16)17-8-11/h4-5,8-10,12H,2-3,6-7H2,1H3,(H2,16,17)(H,20,21)","RCFXGCBFYOZPJW-UHFFFAOYSA-N",-6538.70647941241,39.7441356894342,33613.4489482057,{"$nulls":3},6.73726696758094]
[13629,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19259367","CC[C@@H](CN)CC1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccn2","InChI=1S/C17H22N4O2/c1-2-12(9-18)7-13-8-17(13,16(22)23)14-10-21(11-20-14)15-5-3-4-6-19-15/h3-6,10-13H,2,7-9,18H2,1H3,(H,22,23)/t12-,13?,17-/m1/s2","BEUXTDNZDSFKGE-HTCLMOQTSA-N",-8377.59338473361,44.8026546191174,33624.8697537244,{"$nulls":3},6.7372749122741]
[13646,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19262682","NCCCC[C@]1(CN(Cc2ccc(F)cc2-c2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C22H28FN2O4P/c23-19-9-8-18(20(14-19)17-6-2-1-3-7-17)15-25-12-13-30(28,29)22(16-25,21(26)27)10-4-5-11-24/h1-3,6-9,14H,4-5,10-13,15-16,24H2,(H,26,27)(H,28,29)/t22-/m0/s2","MUVQYNFUWURBHA-QFIPXVFZSA-N",-10114.3199064258,49.5801447193738,33635.6560700477,{"$nulls":3},6.73728241559542]
[13659,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19265218","CCC1CC(C1)n1cnc(CC(CCCN)C(O)=O)c2","InChI=1S/C15H25N3O2/c1-2-11-6-14(7-11)18-9-13(17-10-18)8-12(15(19)20)4-3-5-16/h9-12,14H,2-8,16H2,1H3,(H,19,20)","NAMYEQZWSGWUPW-UHFFFAOYSA-N",-11442.4048936022,53.2335195019228,33643.904429589,{"$nulls":3},6.73728815342937]
[13679,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19269119","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(F)cc2","InChI=1S/C27H36FN3O6/c1-25(2,3)36-23(33)31(24(34)37-26(4,5)6)14-8-9-18-15-27(18,22(32)35-7)21-16-30(17-29-21)20-12-10-19(28)11-13-20/h10-13,16-18H,8-9,14-15H2,1-7H4","MBMPZGJMHDYWBV-UHFFFAOYSA-N",-13485.6125661812,58.8540960904597,33656.5942134987,{"$nulls":3},6.73729698086622]
[13691,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19271459","NCCCC(Cc1cn(cn1)[C@H]1CC2CCC1C2)C(O)=O","InChI=1S/C16H25N3O2/c17-5-1-2-13(16(20)21)8-14-9-19(10-18-14)15-7-11-3-4-12(15)6-11/h9-13,15H,1-8,17H2,(H,20,21)/t11?,12?,13?,15-/m0/s2","MSFPTFZXHMPOFF-WOFVOEOOSA-N",-14711.5371697287,62.2264420435818,33664.2080838445,{"$nulls":3},6.73730227732833]
[13712,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19275555","CC(CCN)C1CC1(C(O)=O)c1cn(cn1)-c1ccccc2","InChI=1S/C17H21N3O2/c1-12(7-8-18)14-9-17(14,16(21)22)15-10-20(11-19-15)13-5-3-2-4-6-13/h2-6,10-12,14H,7-9,18H2,1H3,(H,21,22)","LIFRHKYTAAVMDJ-UHFFFAOYSA-N",-16856.9052259367,68.1280474615454,33677.5323569497,{"$nulls":3},6.73731154613702]
[13729,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B3","Homo sapiens","BDM19278870","CCC[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc3","InChI=1S/C25H40N4O6/c1-2-7-19-17-34-14-5-6-15-35-20-11-9-18(10-12-20)16-22(23(30)27-19)29-25(33)28-21(24(31)32)8-3-4-13-26/h9-12,19,21-22H,2-8,13-17,26H2,1H3,(H,27,30)(H,31,32)(H2,28,29,33)/t19-,21-,22+/m0/s2","MUSDITPAESWTFE-ILWGZMRPSA-N",-18593.6317476289,98.9976404976405,33688.318673273,{"$nulls":3},6.73731904945835,"25.00 C"]
[13739,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19280821","CC(C)C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC1CC2(C)CCC1C2(C)C","InChI=1S/C23H42N4O4/c1-14(2)12-17(27-21(31)26-16(20(29)30)8-6-7-11-24)19(28)25-18-13-23(5)10-9-15(18)22(23,3)4/h14-18H,6-13,24H2,1-5H3,(H,25,28)(H,29,30)(H2,26,27,31)/t15?,16-,17+,18?,23?/m0/s2","DPOMCPGADCDXDE-PPFFOOAHSA-N",-19615.2355839184,114.280780780781,33694.6635652279,{"$nulls":3},6.73732346317677]
[13762,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19285307","COC(=O)[C@@]1(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(CCC(C)(C)C)cn2","InChI=1S/C27H45N3O6/c1-24(2,3)13-15-29-17-20(28-18-29)27(21(31)34-10)16-19(27)12-11-14-30(22(32)35-25(4,5)6)23(33)36-26(7,8)9/h17-19H,11-16H2,1-10H3/t19-,27+/m0/s2","XFYXHUURPYELSU-UZTOHYMASA-N",-21964.9244073844,">100.0",33709.256816724,{"$nulls":3},6.73733361472915]
[13771,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19287062","NCCCCC1(CN(Cc2ccc(O)cc2)CCP1(O)=O)C(O)=O","InChI=1S/C16H25N2O5P/c17-8-2-1-7-16(15(20)21)12-18(9-10-24(16,22)23)11-13-3-5-14(19)6-4-13/h3-6,19H,1-2,7-12,17H2,(H,20,21)(H,22,23)","RPSUUUMUOBONAG-UHFFFAOYSA-N",-22884.3678600449,256.877904220009,33714.9672194834,{"$nulls":3},6.73733758707573]
[13795,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B3","Homo sapiens","BDM19291743","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccsc2)CCP1(O)=O)C(O)=O","InChI=1S/C14H23N2O4PS.C2HF3O2/c15-5-2-1-4-14(13(17)18)11-16(6-7-21(14,19)20)9-12-3-8-22-10-12;3-2(4,5)1(6)7/h3,8,10H,1-2,4-7,9,11,15H2,(H,17,18)(H,19,20);(H,6,7)","NUTGTRXBOUVQLS-UHFFFAOYSA-N",-25336.2170671398,362.226410621147,33730.1949601751,{"$nulls":3},6.73734817999995]
[13803,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19293303","CC(CN)CCC(C(O)=O)c1cnc[nH]2","InChI=1S/C10H17N3O2/c1-7(4-11)2-3-8(10(14)15)9-5-12-6-13-9/h5-8H,2-4,11H2,1H3,(H,12,13)(H,14,15)","GNCKWAGRDBWVQA-UHFFFAOYSA-N",-26153.5001361715,397.342579421527,33735.270873739,{"$nulls":3},6.73735171097468]
[13828,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19298179","NCCCCC(C(O)=O)c1cnc[nH]2","InChI=1S/C9H15N3O2/c10-4-2-1-3-7(9(13)14)8-5-11-6-12-8/h5-7H,1-4,10H2,(H,11,12)(H,13,14)","ATNHCKIPIWIEGH-UHFFFAOYSA-N",-28707.5097268953,2751.3641447494,33751.1331036261,{"$nulls":3},6.73736274527075]
[13829,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19298374","CCCn1cnc(CC(NCCN)C(O)=O)c2","InChI=1S/C11H20N4O2/c1-2-5-15-7-9(14-8-15)6-10(11(16)17)13-4-3-12/h7-8,10,13H,2-6,12H2,1H3,(H,16,17)","UVTMXVBQOPVNHA-UHFFFAOYSA-N",-28809.6701105243,2781.44424934153,33751.7675928216,{"$nulls":3},6.73736318664259]
[13851,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19302665","NCCC[C@]1(CCn2c(C1)ncc2-c1ccccc1)C(O)=O","InChI=1S/C17H21N3O2/c18-9-4-7-17(16(21)22)8-10-20-14(12-19-15(20)11-17)13-5-2-1-3-6-13/h1-3,5-6,12H,4,7-11,18H2,(H,21,22)/t17-/m1/s2","QUVXXNLGVUXFKY-QGZVFWFLSA-N",-31057.1985503612,3443.20655036836,33765.7263551223,{"$nulls":3},6.73737289682312]
[13862,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19304810","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1ccncc1)C(O)=O","InChI=1S/C27H42N4O5S/c1-26(2)20-9-12-27(26,3)23(17-20)29-24(32)21(15-18-7-5-4-6-8-18)30-37(35,36)31-22(25(33)34)16-19-10-13-28-14-11-19/h10-11,13-14,18,20-23,30-31H,4-9,12,15-17H2,1-3H3,(H,29,32)(H,33,34)/t20-,21+,22+,23+,27+/m1/s2","HDEKKTYMNZXVPF-BXOWXZKISA-N",-32180.9627702797,3774.08770088178,33772.7057362726,{"$nulls":3},6.73737775191339]
[13883,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19308906","CCCn1cnc(C[C@H](CCCN)C(O)=O)c2","InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s2","OTDGPKRCQXSTPV-JTQLQIEISA-N",-34326.3308264877,11119.0766036337,33786.0300093778,{"$nulls":3},6.73738702072208]
[13895,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19311246","NC1CCC(CC(C(O)=O)c2cnc[nH]2)CC2","InChI=1S/C12H19N3O2/c13-9-3-1-8(2-4-9)5-10(12(16)17)11-6-14-7-15-11/h6-10H,1-5,13H2,(H,14,15)(H,16,17)","QDWZLLMKOBKAAN-UHFFFAOYSA-N",-35552.2554300352,13717.7880608083,33793.6438797237,{"$nulls":3},6.73739231718419]
[13912,"7e8m_A",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43180","Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1ccc2[nH]c(=O)[nH]c2c1","InChI=1S/C16H17N3O3S/c1-9-6-10(2)15(11(3)7-9)23(21,22)19-12-4-5-13-14(8-12)18-16(20)17-13/h4-8,19H,1-3H3,(H2,17,18,20)","PMHDEKPSSFITSW-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[13931,"7e8m_A",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87359","NC(=O)c1cc(Sc2ccccc2)nc2ccccc12","InChI=1S/C16H12N2OS/c17-16(19)13-10-15(20-11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14/h1-10H,(H2,17,19)","VUJPGFYDLGOFGY-UHFFFAOYSA-N",null,3527]
[13945,"7e8m_A",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM5241","COc1ccc(cc1)-n1cnc(N)c1C(=O)c1cccc(c1)[N+]([O-])=O","InChI=1S/C17H14N4O4/c1-25-14-7-5-12(6-8-14)20-10-19-17(18)15(20)16(22)11-3-2-4-13(9-11)21(23)24/h2-10H,18H2,1H3","CMNCXFJVZMACFP-UHFFFAOYSA-N",null,3867]
[13962,"7e8m_A",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87294","CCOc1ccc(CC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1OCC","InChI=1S/C23H24N2O5/c1-3-28-19-12-7-16(14-21(19)29-4-2)15-22(26)24-17-8-10-18(11-9-17)25-23(27)20-6-5-13-30-20/h5-14H,3-4,15H2,1-2H3,(H,24,26)(H,25,27)","KHKPNYUJHIOLNT-UHFFFAOYSA-N",null,4239]
[13978,"7e8m_A",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM58327","CCCC(=O)NC(c1ccc(Cl)cc1)c1ccc2cccnc2c1O","InChI=1S/C20H19ClN2O2/c1-2-4-17(24)23-18(14-6-9-15(21)10-7-14)16-11-8-13-5-3-12-22-19(13)20(16)25/h3,5-12,18,25H,2,4H2,1H3,(H,23,24)","WUYUBRRFSCEXCC-UHFFFAOYSA-N",null,4704]
[13994,"7e8m_A",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87270","[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc1ccccc1Oc1ccccc1","InChI=1S/C19H13ClN2O4/c20-16-11-10-13(22(24)25)12-15(16)19(23)21-17-8-4-5-9-18(17)26-14-6-2-1-3-7-14/h1-12H,(H,21,23)","UUHNXOUEZWLGNL-UHFFFAOYSA-N",null,5445]
[14011,"7e8m_A",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM79412","COc1ccc(\\C=C2/CC\\C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1OC","InChI=1S/C23H24O5/c1-25-19-9-5-15(13-21(19)27-3)11-17-7-8-18(23(17)24)12-16-6-10-20(26-2)22(14-16)28-4/h5-6,9-14H,7-8H2,1-4H3/b17-11+,18-12+","NADUQCROZYTGPH-JYFOCSDGSA-N",null,5957]
[14028,"7e8m_A",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM78750","O=C(NC(=S)Nc1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1)c1cccs1","InChI=1S/C23H22N4O2S2/c28-21(20-7-4-16-31-20)25-23(30)24-18-8-10-19(11-9-18)26-12-14-27(15-13-26)22(29)17-5-2-1-3-6-17/h1-11,16H,12-15H2,(H2,24,25,28,30)","MBXIITSIAZATMT-UHFFFAOYSA-N",null,7013]
[14042,"7e8m_A",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87353","Nc1ncccc1C(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1","InChI=1S/C18H19ClN4O5S/c19-13-3-5-14(6-4-13)29(26,27)23-10-8-22(9-11-23)16(24)12-28-18(25)15-2-1-7-21-17(15)20/h1-7H,8-12H2,(H2,20,21)","LXJZOYYDUUUZLT-UHFFFAOYSA-N",null,7740]
[14061,"7e8m_A",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM50224397","COc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O","InChI=1S/C18H16N4O2S/c1-21(2)13-8-9-19-17-14(13)15-16(25-17)18(23)22(10-20-15)11-4-6-12(24-3)7-5-11/h4-10H,1-3H3","COQPVKMATNFNLG-UHFFFAOYSA-N",null,8187]
[14074,"7e8m_A",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87333","CC(=O)N1CCN(CC1)c1ncnc2ccccc12","InChI=1S/C14H16N4O/c1-11(19)17-6-8-18(9-7-17)14-12-4-2-3-5-13(12)15-10-16-14/h2-5,10H,6-9H2,1H3","IFRJYGYBDLCAKJ-UHFFFAOYSA-N",null,8944]
[14078,"7e8m_A",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87588","CCOc1cccc(C=NNC(=O)c2cccnc2)c1O","InChI=1S/C15H15N3O3/c1-2-21-13-7-3-5-11(14(13)19)10-17-18-15(20)12-6-4-8-16-9-12/h3-10,19H,2H2,1H3,(H,18,20)","ZFULGBFZQJLCRE-UHFFFAOYSA-N",null,9666]
[14095,"7e8m_A",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM63301","Cc1cc(C(=O)COc2ccc(C)nc2[N+]([O-])=O)c(C)n1-c1ccccc1","InChI=1S/C20H19N3O4/c1-13-9-10-19(20(21-13)23(25)26)27-12-18(24)17-11-14(2)22(15(17)3)16-7-5-4-6-8-16/h4-11H,12H2,1-3H3","XXLYGCLVXNLVGO-UHFFFAOYSA-N",null,11056]
[14122,"7e8m_A",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM39037","CCOc1ccc(cc1)-c1noc(CCC(O)=O)n1","InChI=1S/C13H14N2O4/c1-2-18-10-5-3-9(4-6-10)13-14-11(19-15-13)7-8-12(16)17/h3-6H,2,7-8H2,1H3,(H,16,17)","WKJJPENOGQVARC-UHFFFAOYSA-N",null,15161]
[14128,"7e8m_A",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM5218","CC(C)C=NNC(=O)c1[nH]c2ccc(cc2c1C)[N+]([O-])=O","InChI=1S/C14H16N4O3/c1-8(2)7-15-17-14(19)13-9(3)11-6-10(18(20)21)4-5-12(11)16-13/h4-8,16H,1-3H3,(H,17,19)","XBXWCOYVHOGGDY-UHFFFAOYSA-N",null,17000]
[14154,"7e8m_A",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87309","CNC(=O)c1cccn(Cc2ccc(cc2)C(F)(F)F)c1=O","InChI=1S/C15H13F3N2O2/c1-19-13(21)12-3-2-8-20(14(12)22)9-10-4-6-11(7-5-10)15(16,17)18/h2-8H,9H2,1H3,(H,19,21)","ZFSIBBBOXHXGKK-UHFFFAOYSA-N",null,">35839"]
[14161,"7e8m_A",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87281","CC(=O)Nc1ccc(SCC(=O)c2cc(C)n(c2C)-c2ccccc2F)cc1","InChI=1S/C22H21FN2O2S/c1-14-12-19(15(2)25(14)21-7-5-4-6-20(21)23)22(27)13-28-18-10-8-17(9-11-18)24-16(3)26/h4-12H,13H2,1-3H3,(H,24,26)","MGZWLXSSVYYBCV-UHFFFAOYSA-N",null,">35864"]
[14178,"7e8m_A",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM67646","Cc1ccc(C(=O)ON=C(N)c2ccccn2)c(Cl)c1","InChI=1S/C14H12ClN3O2/c1-9-5-6-10(11(15)8-9)14(19)20-18-13(16)12-4-2-3-7-17-12/h2-8H,1H3,(H2,16,18)","BVJVZKQFDVHEOM-UHFFFAOYSA-N",null,">35869"]
[14202,"7e8m_A",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM18050","CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O","InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1","FBOZXECLQNJBKD-ZDUSSCGKSA-N",null,">35879"]
[14211,"7e8m_A",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87269","Clc1ccc(cc1)C(=O)NC(NC(=S)N1CCOCC1)C(Cl)(Cl)Cl","InChI=1S/C14H15Cl4N3O2S/c15-10-3-1-9(2-4-10)11(22)19-12(14(16,17)18)20-13(24)21-5-7-23-8-6-21/h1-4,12H,5-8H2,(H,19,22)(H,20,24)","WAMYHPVYOFPIMH-UHFFFAOYSA-N",null,">35907"]
[14219,"7e8m_A",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42889","O=C(Nc1cccc(NS(=O)(=O)c2ccc(cc2)S(=O)(=O)NC2CC2)c1)c1ccccn1","InChI=1S/C21H20N4O5S2/c26-21(20-6-1-2-13-22-20)23-16-4-3-5-17(14-16)25-32(29,30)19-11-9-18(10-12-19)31(27,28)24-15-7-8-15/h1-6,9-15,24-25H,7-8H2,(H,23,26)","FXEKYLIMEGOHLI-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[14244,"7e8m_A",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42906","Cc1nc(SCC(=O)Nc2ccc(F)cc2)c2oc3ccccc3c2n1","InChI=1S/C19H14FN3O2S/c1-11-21-17-14-4-2-3-5-15(14)25-18(17)19(22-11)26-10-16(24)23-13-8-6-12(20)7-9-13/h2-9H,10H2,1H3,(H,23,24)","VBCXUWRJIYPESD-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[14251,"7e8m_A",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42912","Fc1ccc(cc1)C(=O)CSc1nnc(Cc2cccs2)n1CC=C","InChI=1S/C18H16FN3OS2/c1-2-9-22-17(11-15-4-3-10-24-15)20-21-18(22)25-12-16(23)13-5-7-14(19)8-6-13/h2-8,10H,1,9,11-12H2","HZNFZGPPNCRRBX-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[14277,"7e8m_A",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM37730","COc1ccc(cc1OC)-c1nc(no1)-c1ccc(NC(=O)c2ccc(Br)o2)cc1","InChI=1S/C21H16BrN3O5/c1-27-15-8-5-13(11-17(15)28-2)21-24-19(25-30-21)12-3-6-14(7-4-12)23-20(26)16-9-10-18(22)29-16/h3-11H,1-2H3,(H,23,26)","FAOKGBNOHROHDV-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[14294,"7e8m_A",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42947","Cc1nn(C2CCCC2)c2[nH]c(=O)cc(C)c12","InChI=1S/C13H17N3O/c1-8-7-11(17)14-13-12(8)9(2)15-16(13)10-5-3-4-6-10/h7,10H,3-6H2,1-2H3,(H,14,17)","VYQVAZGEWOMQAM-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[14299,"7e8m_A",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM50228094","CSc1ccccc1NC(=O)Cn1c(nc2ccccc12)-c1cscn1","InChI=1S/C19H16N4OS2/c1-25-17-9-5-3-7-14(17)21-18(24)10-23-16-8-4-2-6-13(16)22-19(23)15-11-26-12-20-15/h2-9,11-12H,10H2,1H3,(H,21,24)","MKXADKWNFKWNQP-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[14327,"7e8m_A",0.5,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDM25465","CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@@]3(C)CC[C@H](O)C[C@]33C=C[C@]21C(C3C(O)=O)C(O)=O","InChI=1S/C25H32O6/c1-13(26)15-4-5-16-22(15,2)8-7-17-23(3)9-6-14(27)12-24(23)10-11-25(16,17)19(21(30)31)18(24)20(28)29/h7,10-11,14-16,18-19,27H,4-6,8-9,12H2,1-3H3,(H,28,29)(H,30,31)/t14-,15+,16+,18?,19?,22+,23+,24-,25-/m0/s1","NEZTUQCJKXTWFV-JIQJOFIQSA-N",null,null,127190,{"$nulls":3},7.5,"30.00 C"]
[14331,"7a94_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDM50401920","Cc1nn(C)c2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C24H31N7O/c1-15-19-10-9-18(13-21(19)31(2)30-15)28-24-27-14-20(16-7-8-16)22(29-24)25-11-4-12-26-23(32)17-5-3-6-17/h9-10,13-14,16-17H,3-8,11-12H2,1-2H3,(H,26,32)(H2,25,27,28,29)","YQQIVRZPQZTHDO-UHFFFAOYSA-N",null,90]
[14344,"7a94_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDM50401904","O=C(NCCCNc1nc(Nc2cccc(c2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-4-1-5-19)27-11-3-10-26-23-22(18-8-9-18)17-28-25(30-23)29-20-6-2-7-21(16-20)31-12-14-33-15-13-31/h2,6-7,16-19H,1,3-5,8-15H2,(H,27,32)(H2,26,28,29,30)","IBJXOEFBZCQHEA-UHFFFAOYSA-N",null,580]
[14361,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Mus musculus","BDM50401915","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCC2)ncc1C1CC1)C1CCC1","InChI=1S/C22H31N7O/c30-21(16-4-1-5-16)24-11-3-10-23-20-19(15-8-9-15)13-25-22(28-20)27-17-12-26-29(14-17)18-6-2-7-18/h12-16,18H,1-11H2,(H,24,30)(H2,23,25,27,28)","WFLUXPNQSNOSDL-UHFFFAOYSA-N",null,220]
[14379,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Sarcoplasmic/endoplasmic reticulum calcium ATPase 2","Rattus norvegicus","BDM29608","CC(C)(c1ccc(O)cc1)c1ccc(O)cc1","InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3","IISBACLAFKSPIT-UHFFFAOYSA-N",null,2000]
[14394,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Homo sapiens","BDM50191280","Oc1c(Br)cc2CCNC(=O)CCNC(=O)CCc3ccc(Oc1c2)c(Br)c3","InChI=1S/C20H20Br2N2O4/c21-14-9-12-1-3-16(14)28-17-11-13(10-15(22)20(17)27)5-7-23-19(26)6-8-24-18(25)4-2-12/h1,3,9-11,27H,2,4-8H2,(H,23,26)(H,24,25)","KAVCIWPHSSAORZ-UHFFFAOYSA-N",null,6000]
[14411,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Homo sapiens","BDM50241985","Oc1c(Br)cc2CCNC(=O)C(Cc3cc(Br)c(O)c(Oc4c(Br)cc(CC(N=O)C(=O)NCCc5ccc(Oc1c2)c(Br)c5)cc4Br)c3)N=O","InChI=1S/C34H27Br5N4O8/c35-20-7-16-1-2-27(20)50-28-14-17(8-21(36)30(28)44)4-6-41-34(47)26(43-49)13-19-9-22(37)31(45)29(15-19)51-32-23(38)10-18(11-24(32)39)12-25(42-48)33(46)40-5-3-16/h1-2,7-11,14-15,25-26,44-45H,3-6,12-13H2,(H,40,46)(H,41,47)","IQOBTGDUNDPTER-UHFFFAOYSA-N",{"$nulls":3},">100000"]
[14427,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277029","OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C30H30N6O4/c31-17-22-15-21(3-6-27(22)40-24-7-9-36(10-8-24)28(38)18-37)29-25-16-26(34-30(25)33-19-32-29)20-1-4-23(5-2-20)35-11-13-39-14-12-35/h1-6,15-16,19,24,37H,7-14,18H2,(H,32,33,34)","KDGONYKXTUCTEW-UHFFFAOYSA-N",null,0.503,{"$nulls":4},7]
[14444,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276965","COc1cc(ccc1N1CCN(CC1)C1COC1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2(F)F)C(=O)CO)c(c1)C#N","InChI=1S/C34H35F2N7O5/c1-46-29-13-21(2-4-27(29)42-10-8-41(9-11-42)24-17-47-18-24)26-14-25-32(38-20-39-33(25)40-26)22-3-5-28(23(12-22)15-37)48-30-6-7-43(31(45)16-44)19-34(30,35)36/h2-5,12-14,20,24,30,44H,6-11,16-19H2,1H3,(H,38,39,40)","LNIVPTBCCJSTCB-UHFFFAOYSA-N",null,0.763,{"$nulls":4},7]
[14459,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276949","COc1cc(ccc1N1CCOCC1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)CO)c(c1)C#N","InChI=1S/C31H32N6O5/c1-40-28-15-20(2-4-26(28)36-10-12-41-13-11-36)25-16-24-30(33-19-34-31(24)35-25)21-3-5-27(22(14-21)17-32)42-23-6-8-37(9-7-23)29(39)18-38/h2-5,14-16,19,23,38H,6-13,18H2,1H3,(H,33,34,35)","XZIIRCPKAFVFHW-UHFFFAOYSA-N",null,0.9]
[14477,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278284","OCCn1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)cn1","InChI=1S/C22H23FN8O4/c23-17-11-30(20(34)12-33)4-3-19(17)35-18-2-1-14(7-15(18)8-24)21-25-13-26-22(29-21)28-16-9-27-31(10-16)5-6-32/h1-2,7,9-10,13,17,19,32-33H,3-6,11-12H2,(H,25,26,28,29)/t17-,19+/m1/s1","VFYVJNXWRBZRHQ-MJGOQNOKSA-N",null,3]
[14490,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50401903","O=C(NCCCNc1nc(Nc2cccc(Cn3cncn3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H30N8O/c33-23(19-5-2-6-19)27-11-3-10-26-22-21(18-8-9-18)13-28-24(31-22)30-20-7-1-4-17(12-20)14-32-16-25-15-29-32/h1,4,7,12-13,15-16,18-19H,2-3,5-6,8-11,14H2,(H,27,33)(H2,26,28,30,31)","GDYSINUURRPNLP-UHFFFAOYSA-N",null,3]
[14510,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278030","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(C[C@@H]3C)C3COC3)n2)C(F)(F)C1","InChI=1S/C32H36F2N8O4/c1-20-15-40(26-16-45-17-26)11-12-42(20)25-6-4-24(5-7-25)38-31-37-19-36-29(39-31)22-3-8-27(23(13-22)14-35)46-28-9-10-41(18-32(28,33)34)30(44)21(2)43/h3-8,13,19-21,26,28,43H,9-12,15-18H2,1-2H3,(H,36,37,38,39)/t20-,21-,28-/m0/s1","LRDQYJRVAAGHEK-CZBREUMFSA-N",null,3]
[14522,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277954","CC1(C)CN(CC[C@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)CO","InChI=1S/C32H38N8O4/c1-32(2)20-40(29(42)17-41)10-9-28(32)44-27-8-3-22(15-23(27)16-33)30-34-21-35-31(37-30)36-24-4-6-25(7-5-24)38-11-13-39(14-12-38)26-18-43-19-26/h3-8,15,21,26,28,41H,9-14,17-20H2,1-2H3,(H,34,35,36,37)/t28-/m1/s1","MYMZPFRDVOFCRC-MUUNZHRXSA-N",null,3]
[14543,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478602","COCc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4(CC4)C(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C28H29F3N8O2/c1-41-16-20-14-22(34-17-33-20)19-2-3-21-23(13-19)36-26(35-21)37-24-12-18(4-7-32-24)15-38-8-10-39(11-9-38)25(40)27(5-6-27)28(29,30)31/h2-4,7,12-14,17H,5-6,8-11,15-16H2,1H3,(H2,32,35,36,37)","XRSACBQXNLZQHC-UHFFFAOYSA-N",null,3.3]
[14560,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478419","CC(N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)C(F)(F)F)c1",{"$nulls":3},3.47]
[14570,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276963","COc1cc(ccc1N1CCN(CC1)C1COC1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCS(=O)(=O)CC2)c(c1)C#N","InChI=1S/C32H34N6O5S/c1-41-30-15-21(2-4-28(30)38-10-8-37(9-11-38)24-18-42-19-24)27-16-26-31(34-20-35-32(26)36-27)22-3-5-29(23(14-22)17-33)43-25-6-12-44(39,40)13-7-25/h2-5,14-16,20,24-25H,6-13,18-19H2,1H3,(H,34,35,36)","OWTXNTZZHGTTPX-UHFFFAOYSA-N",null,3.68]
[14577,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277065","OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(nc12)-c1ccc(cc1)C1CCN(CC(F)(F)F)CC1","InChI=1S/C32H32F3N7O3/c33-32(34,35)18-41-11-7-21(8-12-41)20-1-3-22(4-2-20)30-39-29-28(37-19-38-31(29)40-30)23-5-6-26(24(15-23)16-36)45-25-9-13-42(14-10-25)27(44)17-43/h1-6,15,19,21,25,43H,7-14,17-18H2,(H,37,38,39,40)","MCVZGUNLGAFYGU-UHFFFAOYSA-N",null,3.8,{"$nulls":4},7]
[14602,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278267","COCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(C4CCN(C)CC4)c(C)c3)n2)[C@H](F)C1","InChI=1S/C31H36FN7O3/c1-20-14-24(5-6-25(20)21-8-11-38(2)12-9-21)36-31-35-19-34-30(37-31)22-4-7-27(23(15-22)16-33)42-28-10-13-39(17-26(28)32)29(40)18-41-3/h4-7,14-15,19,21,26,28H,8-13,17-18H2,1-3H3,(H,34,35,36,37)/t26-,28+/m1/s1","GDMLXKZMNHJKNI-IAPPQJPRSA-N",null,4]
[14610,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278347","CCn1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)c(C)n1","InChI=1S/C23H25FN8O3/c1-3-32-11-18(14(2)30-32)28-23-27-13-26-22(29-23)15-4-5-19(16(8-15)9-25)35-20-6-7-31(10-17(20)24)21(34)12-33/h4-5,8,11,13,17,20,33H,3,6-7,10,12H2,1-2H3,(H,26,27,28,29)/t17-,20+/m1/s1","ORHHPZBLKIDTBX-XLIONFOSSA-N",null,4]
[14627,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277811","COc1cc(Nc2ncnc(n2)-c2ccc(OC3CCS(=O)(=O)CC3)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C29H33N7O5S/c1-39-27-15-22(3-4-25(27)36-10-8-35(9-11-36)23-17-40-18-23)33-29-32-19-31-28(34-29)20-2-5-26(21(14-20)16-30)41-24-6-12-42(37,38)13-7-24/h2-5,14-15,19,23-24H,6-13,17-18H2,1H3,(H,31,32,33,34)","TWKAYMUFDMNKLB-UHFFFAOYSA-N",null,4]
[14650,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278264","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3cccc(c3)C(C)(C)O)n2)[C@H](F)C1","InChI=1S/C27H29FN6O4/c1-16(35)25(36)34-10-9-23(21(28)14-34)38-22-8-7-17(11-18(22)13-29)24-30-15-31-26(33-24)32-20-6-4-5-19(12-20)27(2,3)37/h4-8,11-12,15-16,21,23,35,37H,9-10,14H2,1-3H3,(H,30,31,32,33)/t16-,21+,23-/m0/s1","LNIQNXFRNKFXIV-YTJPUZGESA-N",null,4]
[14660,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276861","Fc1cnc2[nH]c(cc2c1-c1ccc(OC2CCOCC2)c(c1)C#N)-c1ccc(cc1)N1CCOCC1","InChI=1S/C29H27FN4O3/c30-25-18-32-29-24(16-26(33-29)19-1-4-22(5-2-19)34-9-13-36-14-10-34)28(25)20-3-6-27(21(15-20)17-31)37-23-7-11-35-12-8-23/h1-6,15-16,18,23H,7-14H2,(H,32,33)","XYPYFRDCXBQJFC-UHFFFAOYSA-N",null,4.05,{"$nulls":4},7]
[14682,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277040","N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc2[nH]c(nc12)-c1ccc(cc1)N1CCN(CC1)C1COC1","InChI=1S/C30H31N7O3/c31-16-22-15-21(3-6-26(22)40-25-7-13-38-14-8-25)27-28-30(33-19-32-27)35-29(34-28)20-1-4-23(5-2-20)36-9-11-37(12-10-36)24-17-39-18-24/h1-6,15,19,24-25H,7-14,17-18H2,(H,32,33,34,35)","LZOUJBLQAAEDKK-UHFFFAOYSA-N",null,4.49,{"$nulls":4},7]
[14693,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478411","CCOc1nccc(n1)-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)CC(F)(F)F)[nH]c2c1",{"$nulls":3},4.68]
[14714,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278142","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CC4(COC4)C3)n2)[C@H](F)C1","InChI=1S/C29H30FN7O4/c1-18(38)27(39)36-9-8-25(23(30)12-36)41-24-7-2-19(10-20(24)11-31)26-32-17-33-28(35-26)34-21-3-5-22(6-4-21)37-13-29(14-37)15-40-16-29/h2-7,10,17-18,23,25,38H,8-9,12-16H2,1H3,(H,32,33,34,35)/t18-,23+,25-/m0/s1","FKAFYJCOCOVHLN-UODBTFMRSA-N",null,5]
[14726,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277850","COc1ccc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cc1","InChI=1S/C22H21N5O3/c1-28-18-5-3-17(4-6-18)26-22-25-14-24-21(27-22)15-2-7-20(16(12-15)13-23)30-19-8-10-29-11-9-19/h2-7,12,14,19H,8-11H2,1H3,(H,24,25,26,27)","FJAVKPCYPORWLI-UHFFFAOYSA-N",null,5]
[14743,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278210","C[C@@H]1CN(CC(F)(F)[C@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)CO","InChI=1S/C31H34F2N8O4/c1-20-14-41(27(43)15-42)18-31(32,33)28(20)45-26-7-2-21(12-22(26)13-34)29-35-19-36-30(38-29)37-23-3-5-24(6-4-23)39-8-10-40(11-9-39)25-16-44-17-25/h2-7,12,19-20,25,28,42H,8-11,14-18H2,1H3,(H,35,36,37,38)/t20-,28+/m1/s1","AUBYDIOIZLCJCZ-NGOKVRLYSA-N",null,5]
[14762,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478851","CC(N1CCN(CC1)C(=O)OC(C)(C)C)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N2CC(C2)C(F)(F)F)c1",{"$nulls":3},5.48]
[14776,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478766","CC(C)(C)OC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ccnc(N)c3)c2)CC1","InChI=1S/C27H32N8O2/c1-27(2,3)37-26(36)35-12-10-34(11-13-35)17-18-6-8-30-24(14-18)33-25-31-21-5-4-19(15-22(21)32-25)20-7-9-29-23(28)16-20/h4-9,14-16H,10-13,17H2,1-3H3,(H2,28,29)(H2,30,31,32,33)","WZZNZHWQKAXJSH-UHFFFAOYSA-N",null,5.8]
[14794,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278274","FC(F)(F)CC(=O)Nc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C26H25F3N8O2/c27-26(28,29)12-23(38)34-22-6-1-17(11-18(22)13-30)24-31-16-32-25(35-24)33-19-2-4-20(5-3-19)36-7-9-37(10-8-36)21-14-39-15-21/h1-6,11,16,21H,7-10,12,14-15H2,(H,34,38)(H,31,32,33,35)","HRMPJJSTJWUUBG-UHFFFAOYSA-N",null,6]
[14809,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM375314","C=CC(=O)Nc1ccc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cc1","InChI=1S/C24H22N6O3/c1-2-22(31)28-18-4-6-19(7-5-18)29-24-27-15-26-23(30-24)16-3-8-21(17(13-16)14-25)33-20-9-11-32-12-10-20/h2-8,13,15,20H,1,9-12H2,(H,28,31)(H,26,27,29,30)","CYCDEYIKBNVSHA-UHFFFAOYSA-N",null,6]
[14826,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278070","F[C@@H]1CCCC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)C2CCNCC2)n1","InChI=1S/C27H29FN6O/c28-23-3-1-2-4-25(23)35-24-10-7-20(15-21(24)16-29)26-31-17-32-27(34-26)33-22-8-5-18(6-9-22)19-11-13-30-14-12-19/h5-10,15,17,19,23,25,30H,1-4,11-14H2,(H,31,32,33,34)/t23-,25+/m1/s1","JSWSNMUJSFRFCL-NOZRDPDXSA-N",null,6]
[14827,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276886","Cc1ncc(s1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C23H20N4O2S/c1-14-26-13-22(30-14)20-11-19-18(4-7-25-23(19)27-20)15-2-3-21(16(10-15)12-24)29-17-5-8-28-9-6-17/h2-4,7,10-11,13,17H,5-6,8-9H2,1H3,(H,25,27)","GMCWMRVYPOUFAZ-UHFFFAOYSA-N",null,6.03]
[14843,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397638","COCC[C@H](Nc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)C","InChI=1S/C22H26N6O3/c1-28(2)22(30)17(8-9-31-3)26-18-10-15(6-7-16(18)11-23)19-12-25-20(13-24-19)27-21(29)14-4-5-14/h6-7,10,12-14,17,26H,4-5,8-9H2,1-3H3,(H,25,27,29)/t17-/m0/s1","AFECJYFFQKXJST-KRWDZBQOSA-N",null,6.31]
[14859,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478398","C[C@@H](N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2ccnc(C)n2)c1",{"$nulls":3},6.67]
[14876,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50448992","COc1ccc(cc1)-c1nc2ncc(-c3nc(cs3)C(N)=O)c(NCCCNC(=O)C3CCCC3)c2[nH]1","InChI=1S/C26H29N7O3S/c1-36-17-9-7-15(8-10-17)23-32-21-20(28-11-4-12-29-25(35)16-5-2-3-6-16)18(13-30-24(21)33-23)26-31-19(14-37-26)22(27)34/h7-10,13-14,16H,2-6,11-12H2,1H3,(H2,27,34)(H,29,35)(H2,28,30,32,33)","DNGHYRYQEMRIDG-UHFFFAOYSA-N",null,7]
[14893,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478868","O=C(C1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ncnc4ccoc34)c2)CC1","InChI=1S/C27H26N8O2/c36-26(18-1-2-18)35-10-8-34(9-11-35)15-17-5-7-28-23(13-17)33-27-31-20-4-3-19(14-22(20)32-27)24-25-21(6-12-37-25)29-16-30-24/h3-7,12-14,16,18H,1-2,8-11,15H2,(H2,28,31,32,33)","FRCSCKSLQGAAFJ-UHFFFAOYSA-N",null,7.12]
[14907,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277013","Cc1ncc(s1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C22H19N5O2S/c1-13-24-11-20(30-13)18-9-17-21(25-12-26-22(17)27-18)14-2-3-19(15(8-14)10-23)29-16-4-6-28-7-5-16/h2-3,8-9,11-12,16H,4-7H2,1H3,(H,25,26,27)","YIBZCPJGTIQSGV-UHFFFAOYSA-N",null,7.91,{"$nulls":4},7]
[14926,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277970","C[C@H]1CN(C[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)CO","InChI=1S/C30H34N8O4/c1-20-14-38(28(40)16-39)15-27(20)42-26-7-2-21(12-22(26)13-31)29-32-19-33-30(35-29)34-23-3-5-24(6-4-23)36-8-10-37(11-9-36)25-17-41-18-25/h2-7,12,19-20,25,27,39H,8-11,14-18H2,1H3,(H,32,33,34,35)/t20-,27-/m0/s1","BUBXEFMQVVFAPJ-DCFHFQCYSA-N",null,8]
[14939,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478842","COc1c(NC2CCC2)ncnc1-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)C3CC3)[nH]c2c1",{"$nulls":3},8.07]
[14959,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277074","FC(F)C(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(nc12)-c1ccc(CN2CCOCC2)cc1","InChI=1S/C30H29F2N7O3/c31-27(32)30(40)39-9-7-23(8-10-39)42-24-6-5-21(15-22(24)16-33)25-26-29(35-18-34-25)37-28(36-26)20-3-1-19(2-4-20)17-38-11-13-41-14-12-38/h1-6,15,18,23,27H,7-14,17H2,(H,34,35,36,37)","QELZALHAUCFZNA-UHFFFAOYSA-N",null,8.87,{"$nulls":4},7]
[14970,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277936","C[C@@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C(F)(F)C1","InChI=1S/C31H34F2N8O4/c1-20(42)29(43)41-9-8-27(31(32,33)18-41)45-26-7-2-21(14-22(26)15-34)28-35-19-36-30(38-28)37-23-3-5-24(6-4-23)39-10-12-40(13-11-39)25-16-44-17-25/h2-7,14,19-20,25,27,42H,8-13,16-18H2,1H3,(H,35,36,37,38)/t20-,27+/m1/s1","YSIJLTHURUGKOW-HRFSGMKKSA-N",null,1]
[14992,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478708","COc1c(ncnc1-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)C3CC3)[nH]c2c1)N1CCC1",{"$nulls":3},1]
[15009,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276982","OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(N2CCOCC2)c(F)c1","InChI=1S/C30H29FN6O4/c31-24-14-19(1-3-26(24)36-9-11-40-12-10-36)25-15-23-29(33-18-34-30(23)35-25)20-2-4-27(21(13-20)16-32)41-22-5-7-37(8-6-22)28(39)17-38/h1-4,13-15,18,22,38H,5-12,17H2,(H,33,34,35)","HXAYGARTNPQTPX-UHFFFAOYSA-N",null,1.02]
[15018,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278217","OCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@@H](C1)C(F)(F)F","InChI=1S/C31H33F3N8O4/c32-31(33,34)25-15-42(28(44)16-43)8-7-27(25)46-26-6-1-20(13-21(26)14-35)29-36-19-37-30(39-29)38-22-2-4-23(5-3-22)40-9-11-41(12-10-40)24-17-45-18-24/h1-6,13,19,24-25,27,43H,7-12,15-18H2,(H,36,37,38,39)/t25-,27+/m1/s1","SBFMZRPSTCAHQA-VPUSJEBWSA-N",null,9]
[15042,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478429","CC(N1CCN(CC1)C(=O)CC1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(C)ncn2)c1",{"$nulls":3},9.35]
[15050,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50520152","CNc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C25H26F3N9O/c1-29-21-12-19(31-15-32-21)17-2-3-18-20(11-17)34-24(33-18)35-22-10-16(4-5-30-22)14-36-6-8-37(9-7-36)23(38)13-25(26,27)28/h2-5,10-12,15H,6-9,13-14H2,1H3,(H,29,31,32)(H2,30,33,34,35)","XJXPKTHMXWGQPH-UHFFFAOYSA-N",null,9.6]
[15075,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277814","N#Cc1cc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1OC1CCOCC1","InChI=1S/C27H26N6O4/c28-15-19-13-18(1-3-24(19)36-22-5-9-34-10-6-22)26-30-17-31-27(33-26)32-21-2-4-25(20(14-21)16-29)37-23-7-11-35-12-8-23/h1-4,13-14,17,22-23H,5-12H2,(H,30,31,32,33)","RSUQGUXLJAJYCT-UHFFFAOYSA-N",null,10]
[15076,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277959","C[C@H](O)C(=O)N1CC[C@@H](C[C@@H]1C)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C32H38N8O4/c1-21-15-28(9-10-40(21)31(42)22(2)41)44-29-8-3-23(16-24(29)17-33)30-34-20-35-32(37-30)36-25-4-6-26(7-5-25)38-11-13-39(14-12-38)27-18-43-19-27/h3-8,16,20-22,27-28,41H,9-15,18-19H2,1-2H3,(H,34,35,36,37)/t21-,22-,28-/m0/s1","WXHYZVLRPXCVBN-VPYPWEPUSA-N",null,10]
[15098,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478394","C[C@@H](N1CCN(CC1)C(=O)C1CCC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2ccnc(C)n2)c1",{"$nulls":3},11]
[15109,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276974","CC(=C)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(O[C@@H]2CCN(C2)C(=O)CO)c(c1)C#N","InChI=1S/C29H26N4O3/c1-18(2)19-3-5-20(6-4-19)26-14-25-24(9-11-31-29(25)32-26)21-7-8-27(22(13-21)15-30)36-23-10-12-33(16-23)28(35)17-34/h3-9,11,13-14,23,34H,1,10,12,16-17H2,2H3,(H,31,32)/t23-/m1/s1","HCRPSFHFMMUNAR-HSZRJFAPSA-N",null,11.2]
[15130,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278283","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)[C@H]1CCCO1","InChI=1S/C33H37FN8O4/c34-27-18-42(32(43)30-2-1-15-45-30)10-9-29(27)46-28-8-3-22(16-23(28)17-35)31-36-21-37-33(39-31)38-24-4-6-25(7-5-24)40-11-13-41(14-12-40)26-19-44-20-26/h3-8,16,21,26-27,29-30H,1-2,9-15,18-20H2,(H,36,37,38,39)/t27-,29+,30-/m1/s1","NQNZYPAXUPVTTP-CCNCKIRNSA-N",null,12]
[15142,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277067","FC(F)(F)CN1CCC(CC1)c1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C=O)c(c1)C#N","InChI=1S/C31H30F3N7O2/c32-31(33,34)17-40-11-7-21(8-12-40)20-1-3-22(4-2-20)29-38-28-27(36-18-37-30(28)39-29)23-5-6-26(24(15-23)16-35)43-25-9-13-41(19-42)14-10-25/h1-6,15,18-19,21,25H,7-14,17H2,(H,36,37,38,39)","WISWDBLLYNYCRE-UHFFFAOYSA-N",null,12.2,{"$nulls":4},7]
[15159,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478763","CC(C)(C)OC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ccnc(F)c3)c2)CC1","InChI=1S/C27H30FN7O2/c1-27(2,3)37-26(36)35-12-10-34(11-13-35)17-18-6-8-30-24(14-18)33-25-31-21-5-4-19(15-22(21)32-25)20-7-9-29-23(28)16-20/h4-9,14-16H,10-13,17H2,1-3H3,(H2,30,31,32,33)","YHZYBNARUQGGJJ-UHFFFAOYSA-N",null,13]
[15178,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276991","OC(=O)Cc1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C26H22N4O4/c27-14-19-12-18(5-6-23(19)34-20-7-9-33-10-8-20)25-21-13-22(30-26(21)29-15-28-25)17-3-1-16(2-4-17)11-24(31)32/h1-6,12-13,15,20H,7-11H2,(H,31,32)(H,28,29,30)","CRYAFKJJVYGHEW-UHFFFAOYSA-N",null,13.7]
[15192,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278344","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3cnn(C)c3C)n2)[C@H](F)C1","InChI=1S/C23H25FN8O3/c1-13-18(10-28-31(13)3)29-23-27-12-26-21(30-23)15-4-5-19(16(8-15)9-25)35-20-6-7-32(11-17(20)24)22(34)14(2)33/h4-5,8,10,12,14,17,20,33H,6-7,11H2,1-3H3,(H,26,27,29,30)/t14-,17+,20-/m0/s1","LBFKDBMDAOTADZ-NQYLQCIDSA-N",null,14]
[15210,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277005","OCC(=O)N1CC=C(C1)c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C25H24N4O4/c26-13-18-11-16(1-2-23(18)33-19-5-9-32-10-6-19)20-3-7-27-25-21(20)12-22(28-25)17-4-8-29(14-17)24(31)15-30/h1-4,7,11-12,19,30H,5-6,8-10,14-15H2,(H,27,28)","UXONJEQASGNIRB-UHFFFAOYSA-N",null,14.8]
[15225,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246072","N#Cc1nc(ccc1N1CCCC1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1","InChI=1S/C24H25N7O/c25-17-22-23(31-11-1-2-12-31)8-7-20(28-22)21-9-10-26-24(29-21)27-18-3-5-19(6-4-18)30-13-15-32-16-14-30/h3-10H,1-2,11-16H2,(H,26,27,29)","MNFUPTZNXIHFBU-UHFFFAOYSA-N",null,"<15",{"$nulls":4},7.5]
[15242,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246032","NC(=O)c1ccc(Nc2nccc(n2)-c2cnc(N3CCCC3)c(c2)C#N)cc1","InChI=1S/C21H19N7O/c22-12-15-11-16(13-25-20(15)28-9-1-2-10-28)18-7-8-24-21(27-18)26-17-5-3-14(4-6-17)19(23)29/h3-8,11,13H,1-2,9-10H2,(H2,23,29)(H,24,26,27)","BNIHBJJXGBMYHX-UHFFFAOYSA-N",null,"<15",{"$nulls":4},7.5]
[15258,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478876","CC(N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(-c4cc(C)ncn4)c(F)c3[nH]2)c1",{"$nulls":3},15]
[15275,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277044","CC(=O)Nc1ccc(cn1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C26H23N5O3/c1-16(32)30-25-5-3-18(15-29-25)23-13-22-21(6-9-28-26(22)31-23)17-2-4-24(19(12-17)14-27)34-20-7-10-33-11-8-20/h2-6,9,12-13,15,20H,7-8,10-11H2,1H3,(H,28,31)(H,29,30,32)","YXLPNLVTKVQNGW-UHFFFAOYSA-N",null,15.8,{"$nulls":4},7]
[15290,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276837","OCC(=O)N1CC[C@@H](C1)Oc1ccc(cc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C30H29N5O4/c31-17-22-15-21(3-6-28(22)39-24-8-10-35(18-24)29(37)19-36)25-7-9-32-30-26(25)16-27(33-30)20-1-4-23(5-2-20)34-11-13-38-14-12-34/h1-7,9,15-16,24,36H,8,10-14,18-19H2,(H,32,33)/t24-/m0/s1","ZHQUWWWIBAHOPH-DEOSSOPVSA-N",null,16.2,{"$nulls":4},7]
[15308,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276832","N#Cc1cc(ccc1OC1CCNCC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C29H29N5O2/c30-19-22-17-21(3-6-28(22)36-24-7-10-31-11-8-24)25-9-12-32-29-26(25)18-27(33-29)20-1-4-23(5-2-20)34-13-15-35-16-14-34/h1-6,9,12,17-18,24,31H,7-8,10-11,13-16H2,(H,32,33)","GPGFZZQWNGWWRK-UHFFFAOYSA-N",null,17.1,{"$nulls":4},7]
[15322,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278049","Fc1cc(cc(C#N)c1OC1CCS(=O)(=O)CC1)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H30FN7O4S/c29-25-14-19(13-20(15-30)26(25)40-24-5-11-41(37,38)12-6-24)27-31-18-32-28(34-27)33-21-1-3-22(4-2-21)35-7-9-36(10-8-35)23-16-39-17-23/h1-4,13-14,18,23-24H,5-12,16-17H2,(H,31,32,33,34)","KARHITPGXHHMLH-UHFFFAOYSA-N",null,18]
[15325,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278366","O[C@@H]1CN[C@@H](C1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C33H38FN9O4/c34-27-17-43(32(45)28-14-26(44)16-36-28)8-7-30(27)47-29-6-1-21(13-22(29)15-35)31-37-20-38-33(40-31)39-23-2-4-24(5-3-23)41-9-11-42(12-10-41)25-18-46-19-25/h1-6,13,20,25-28,30,36,44H,7-12,14,16-19H2,(H,37,38,39,40)/t26-,27+,28-,30-/m0/s1","XYVFJOXMVUYGJB-TYKILGCBSA-N",null,18]
[15342,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277858","N#Cc1cc(ccc1O[C@@H]1CCNC1)-c1ncnc(Nc2ccc(cc2)N2CCOCC2)n1","InChI=1S/C24H25N7O2/c25-14-18-13-17(1-6-22(18)33-21-7-8-26-15-21)23-27-16-28-24(30-23)29-19-2-4-20(5-3-19)31-9-11-32-12-10-31/h1-6,13,16,21,26H,7-12,15H2,(H,27,28,29,30)/t21-/m1/s1","GCHCBFCSJKWUFU-OAQYLSRUSA-N",null,19]
[15370,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277892","O=C1CCC(CN1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H30N8O3/c29-14-20-13-19(1-7-25(20)39-24-6-8-26(37)30-15-24)27-31-18-32-28(34-27)33-21-2-4-22(5-3-21)35-9-11-36(12-10-35)23-16-38-17-23/h1-5,7,13,18,23-24H,6,8-12,15-17H2,(H,30,37)(H,31,32,33,34)","DIXDYWHMSFOQRD-UHFFFAOYSA-N",null,20]
[15375,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144187","CC(C)(C)c1cc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)n[nH]1","InChI=1S/C24H27N5O2/c1-24(2,3)21-14-23(29-28-21)27-22-13-17(6-9-26-22)16-4-5-20(18(12-16)15-25)31-19-7-10-30-11-8-19/h4-6,9,12-14,19H,7-8,10-11H2,1-3H3,(H2,26,27,28,29)","NOCFKKXWSSCWRO-UHFFFAOYSA-N",null,21,{"$nulls":4},7.5,"30.00 C"]
[15402,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276947","COc1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCNCC2)c(c1)C#N","InChI=1S/C25H23N5O2/c1-31-19-5-2-16(3-6-19)22-13-21-24(28-15-29-25(21)30-22)17-4-7-23(18(12-17)14-26)32-20-8-10-27-11-9-20/h2-7,12-13,15,20,27H,8-11H2,1H3,(H,28,29,30)","SQZVSGZHYGZMTP-UHFFFAOYSA-N",null,22.4]
[15408,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278054","CS(=O)(=O)OC1CN(C1)c1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C27H30N8O4S/c1-40(36,37)39-24-14-35(15-24)25-7-2-19(12-20(25)13-28)26-29-18-30-27(32-26)31-21-3-5-22(6-4-21)33-8-10-34(11-9-33)23-16-38-17-23/h2-7,12,18,23-24H,8-11,14-17H2,1H3,(H,29,30,31,32)","XCDXRGSHYFJGLG-UHFFFAOYSA-N",null,23]
[15433,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397760","C[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)C","InChI=1S/C19H21N7O2/c1-11(19(28)26(2)3)24-14-6-13(8-21-15(14)7-20)16-9-23-17(10-22-16)25-18(27)12-4-5-12/h6,8-12,24H,4-5H2,1-3H3,(H,23,25,27)/t11-/m0/s1","FVYYHMCSFFZPKR-NSHDSACASA-N",null,25.1]
[15441,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277975","CS(=O)(=O)N1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H32N8O4S/c1-41(37,38)36-9-8-25(16-36)40-26-7-2-20(14-21(26)15-29)27-30-19-31-28(33-27)32-22-3-5-23(6-4-22)34-10-12-35(13-11-34)24-17-39-18-24/h2-7,14,19,24-25H,8-13,16-18H2,1H3,(H,30,31,32,33)/t25-/m1/s1","AQTFPLJMEGCPSJ-RUZDIDTESA-N",null,26]
[15458,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278050","CS(=O)(=O)C1CN(C1)c1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C27H30N8O3S/c1-39(36,37)24-14-35(15-24)25-7-2-19(12-20(25)13-28)26-29-18-30-27(32-26)31-21-3-5-22(6-4-21)33-8-10-34(11-9-33)23-16-38-17-23/h2-7,12,18,23-24H,8-11,14-17H2,1H3,(H,29,30,31,32)","SQALYOIAMIIQQR-UHFFFAOYSA-N",null,28]
[15467,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478836","COc1cnccc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C(C)(C)O)ccn3)[nH]c2c1","InChI=1S/C27H31N7O3/c1-27(2,36)25(35)34-12-10-33(11-13-34)17-18-6-9-29-24(14-18)32-26-30-21-5-4-19(15-22(21)31-26)20-7-8-28-16-23(20)37-3/h4-9,14-16,36H,10-13,17H2,1-3H3,(H2,29,30,31,32)","KPUIOLWZJJSWMB-UHFFFAOYSA-N",null,28.5]
[15491,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246012","F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2cncc(NC(=O)CN3CCOCC3)c2)n1","InChI=1S/C25H26FN9O2/c26-19-2-4-35(15-19)24-17(11-27)9-18(12-30-24)22-1-3-29-25(33-22)32-21-10-20(13-28-14-21)31-23(36)16-34-5-7-37-8-6-34/h1,3,9-10,12-14,19H,2,4-8,15-16H2,(H,31,36)(H,29,32,33)/t19-/m0/s1","SXQJAGMFERVVSR-IBGZPJMESA-N",null,"<30",{"$nulls":4},7.5]
[15498,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245953","F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(nc2)N2CCNCC2)n1","InChI=1S/C23H24FN9/c24-18-4-8-33(15-18)22-16(12-25)11-17(13-29-22)20-3-5-27-23(31-20)30-19-1-2-21(28-14-19)32-9-6-26-7-10-32/h1-3,5,11,13-14,18,26H,4,6-10,15H2,(H,27,30,31)/t18-/m0/s1","NYDFWYRRJFFSMI-SFHVURJKSA-N",null,"<30",{"$nulls":4},7.5]
[15524,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478735","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(-c4cnn(CC5CC5)c4)c(Cl)c3[nH]2)c1",{"$nulls":3},1.2]
[15541,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276899","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCN(CC1)C1COC1","InChI=1S/C32H33N5O3/c33-19-24-17-23(3-6-31(24)40-27-8-15-38-16-9-27)28-7-10-34-32-29(28)18-30(35-32)22-1-4-25(5-2-22)36-11-13-37(14-12-36)26-20-39-21-26/h1-7,10,17-18,26-27H,8-9,11-16,20-21H2,(H,34,35)","SJJKBERVVQPRLP-UHFFFAOYSA-N",null,1.31,{"$nulls":4},7]
[15546,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276950","COc1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)CO)c(c1)C#N","InChI=1S/C27H25N5O4/c1-35-20-5-2-17(3-6-20)23-13-22-26(29-16-30-27(22)31-23)18-4-7-24(19(12-18)14-28)36-21-8-10-32(11-9-21)25(34)15-33/h2-7,12-13,16,21,33H,8-11,15H2,1H3,(H,29,30,31)","ABZIEHMTFVZXNY-UHFFFAOYSA-N",null,1.34]
[15574,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148081","CC(=O)Nc1ccc(Nc2nccc(n2)-c2ccc(N3CCCC3)c(c2)C#N)cn1","InChI=1S/C22H21N7O/c1-15(30)26-21-7-5-18(14-25-21)27-22-24-9-8-19(28-22)16-4-6-20(17(12-16)13-23)29-10-2-3-11-29/h4-9,12,14H,2-3,10-11H2,1H3,(H,24,27,28)(H,25,26,30)","ISBAEZZZSBUUNU-UHFFFAOYSA-N",null,"<30",{"$nulls":4},7.5]
[15578,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148086","CN(C)c1ccc(Nc2nccc(n2)-c2ccc(N3CCCC3)c(c2)C#N)cn1","InChI=1S/C22H23N7/c1-28(2)21-8-6-18(15-25-21)26-22-24-10-9-19(27-22)16-5-7-20(17(13-16)14-23)29-11-3-4-12-29/h5-10,13,15H,3-4,11-12H2,1-2H3,(H,24,26,27)","VASPCOGGWPBHAK-UHFFFAOYSA-N",null,"<30",{"$nulls":4},7.5]
[15591,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148114","CC(=O)Nc1ccc(Nc2nccc(n2)-c2ccc(N3CC[C@H](O)C3)c(c2)C#N)cn1","InChI=1S/C22H21N7O2/c1-14(30)26-21-5-3-17(12-25-21)27-22-24-8-6-19(28-22)15-2-4-20(16(10-15)11-23)29-9-7-18(31)13-29/h2-6,8,10,12,18,31H,7,9,13H2,1H3,(H,24,27,28)(H,25,26,30)/t18-/m0/s1","HNZHNMAWIKSPKY-SFHVURJKSA-N",null,"<30",{"$nulls":4},7.5]
[15608,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50448981","COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(=O)NCC(C)(C)C","InChI=1S/C23H24N4O2S/c1-23(2,3)13-25-22(28)19-10-16(12-30-19)15-9-18-21(24-11-15)27-20(26-18)14-5-7-17(29-4)8-6-14/h5-12H,13H2,1-4H3,(H,25,28)(H,24,26,27)","SMAIRFQFHKTXBK-UHFFFAOYSA-N",null,30]
[15626,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245932","F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2cccc(c2)C(=O)N2CCNCC2)n1","InChI=1S/C25H25FN8O/c26-20-5-9-34(16-20)23-18(14-27)12-19(15-30-23)22-4-6-29-25(32-22)31-21-3-1-2-17(13-21)24(35)33-10-7-28-8-11-33/h1-4,6,12-13,15,20,28H,5,7-11,16H2,(H,29,31,32)/t20-/m0/s1","QERHLNOGCQBUGB-FQEVSTJZSA-N",null,"<30",{"$nulls":4},7.5]
[15641,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277027","N#Cc1cc(ccc1OC1CCNCC1)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C28H28N6O2/c29-17-21-15-20(3-6-26(21)36-23-7-9-30-10-8-23)27-24-16-25(33-28(24)32-18-31-27)19-1-4-22(5-2-19)34-11-13-35-14-12-34/h1-6,15-16,18,23,30H,7-14H2,(H,31,32,33)","PPUWDWJLBIFLJV-UHFFFAOYSA-N",null,31.1,{"$nulls":4},7]
[15658,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276978","OCC(=O)N1CC(C1)Oc1ccc(cc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C29H27N5O4/c30-15-21-13-20(3-6-27(21)38-23-16-34(17-23)28(36)18-35)24-7-8-31-29-25(24)14-26(32-29)19-1-4-22(5-2-19)33-9-11-37-12-10-33/h1-8,13-14,23,35H,9-12,16-18H2,(H,31,32)","KZCVWMQROUGANA-UHFFFAOYSA-N",null,32.4,{"$nulls":4},7]
[15674,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478563","COc1cnc(OCC2CC2)nc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C30H34N8O3/c1-40-25-16-32-30(41-18-19-2-3-19)36-27(25)22-6-7-23-24(15-22)34-29(33-23)35-26-14-20(8-9-31-26)17-37-10-12-38(13-11-37)28(39)21-4-5-21/h6-9,14-16,19,21H,2-5,10-13,17-18H2,1H3,(H2,31,33,34,35)","RPXOSFVXIXERFW-UHFFFAOYSA-N",null,33.7]
[15690,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478461","COCCCS(=O)(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ncncc3OC)c2)CC1","InChI=1S/C26H32N8O4S/c1-37-12-3-13-39(35,36)34-10-8-33(9-11-34)17-19-6-7-28-24(14-19)32-26-30-21-5-4-20(15-22(21)31-26)25-23(38-2)16-27-18-29-25/h4-7,14-16,18H,3,8-13,17H2,1-2H3,(H2,28,30,31,32)","HLYOIFVHNJSKNA-UHFFFAOYSA-N",null,35]
[15707,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM375277","COC(=O)N1CCC(C1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C29H32N8O4/c1-39-29(38)37-9-8-25(16-37)41-26-7-2-20(14-21(26)15-30)27-31-19-32-28(34-27)33-22-3-5-23(6-4-22)35-10-12-36(13-11-35)24-17-40-18-24/h2-7,14,19,24-25H,8-13,16-18H2,1H3,(H,31,32,33,34)","QZHWEAROBWWCRV-UHFFFAOYSA-N",null,37]
[15724,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276919","C[C@H](O)C(=O)N1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(nc12)-c1ccc(cc1)N1CCOCC1",{"$nulls":3},38.9]
[15738,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478382","Cc1nccc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CCC4)ccn3)[nH]c2c1","InChI=1S/C27H30N8O/c1-18-28-10-8-22(30-18)21-5-6-23-24(16-21)32-27(31-23)33-25-15-19(7-9-29-25)17-34-11-13-35(14-12-34)26(36)20-3-2-4-20/h5-10,15-16,20H,2-4,11-14,17H2,1H3,(H2,29,31,32,33)","YPZIRLFJTBKJMA-UHFFFAOYSA-N",null,39.9]
[15757,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478554","COc1c(Cl)ncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C25H24ClF3N8O2/c1-39-22-21(31-14-32-23(22)26)16-2-3-17-18(11-16)34-24(33-17)35-19-10-15(4-5-30-19)13-36-6-8-37(9-7-36)20(38)12-25(27,28)29/h2-5,10-11,14H,6-9,12-13H2,1H3,(H2,30,33,34,35)","LGZWNHCSSVNUKP-UHFFFAOYSA-N",null,43]
[15770,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478384","Cc1nccc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC4CC4)ccn3)[nH]c2c1","InChI=1S/C27H30N8O/c1-18-28-9-7-22(30-18)21-4-5-23-24(16-21)32-27(31-23)33-25-14-20(6-8-29-25)17-34-10-12-35(13-11-34)26(36)15-19-2-3-19/h4-9,14,16,19H,2-3,10-13,15,17H2,1H3,(H2,29,31,32,33)","QRUKQBVYNLZERD-UHFFFAOYSA-N",null,44.4]
[15790,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278258","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)c1ccccn1","InChI=1S/C33H34FN9O2/c34-28-19-43(31-3-1-2-11-36-31)12-10-30(28)45-29-9-4-23(17-24(29)18-35)32-37-22-38-33(40-32)39-25-5-7-26(8-6-25)41-13-15-42(16-14-41)27-20-44-21-27/h1-9,11,17,22,27-28,30H,10,12-16,19-21H2,(H,37,38,39,40)/t28-,30+/m1/s1","KQBFDDHLYOSPQS-DGPALRBDSA-N",null,47]
[15807,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397764","CC(CO)N(C)C(=O)CNc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C21H24N6O3/c1-13(12-28)27(2)20(29)11-24-17-7-15(5-6-16(17)8-22)18-9-25-19(10-23-18)26-21(30)14-3-4-14/h5-7,9-10,13-14,24,28H,3-4,11-12H2,1-2H3,(H,25,26,30)","CPTDZMAQQKNOPQ-UHFFFAOYSA-N",null,50.1]
[15818,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276977","CC(=O)N1CC(C1)Oc1ccc(cc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C29H27N5O3/c1-19(35)34-17-24(18-34)37-28-7-4-21(14-22(28)16-30)25-8-9-31-29-26(25)15-27(32-29)20-2-5-23(6-3-20)33-10-12-36-13-11-33/h2-9,14-15,24H,10-13,17-18H2,1H3,(H,31,32)","AYOUPRSGLNUOAK-UHFFFAOYSA-N",null,51.1,{"$nulls":4},7]
[15824,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276849","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)C#CC1CCOCC1","InChI=1S/C26H25N3O3/c27-17-20-15-19(2-4-25(20)32-22-8-13-31-14-9-22)23-5-10-28-26-24(23)16-21(29-26)3-1-18-6-11-30-12-7-18/h2,4-5,10,15-16,18,22H,6-9,11-14H2,(H,28,29)","PNMCLCQZSVIVDN-UHFFFAOYSA-N",null,52.8]
[15850,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478754","CC(C)(C)OC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ccnc(c3)N3CCOCC3)c2)CC1","InChI=1S/C31H38N8O3/c1-31(2,3)42-30(40)39-12-10-37(11-13-39)21-22-6-8-32-27(18-22)36-29-34-25-5-4-23(19-26(25)35-29)24-7-9-33-28(20-24)38-14-16-41-17-15-38/h4-9,18-20H,10-17,21H2,1-3H3,(H2,32,34,35,36)","TYBANEQCDYHHKL-UHFFFAOYSA-N",null,57]
[15857,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379361","COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)c3cccnc3)c2[nH]1","InChI=1S/C22H21BrN6O2/c1-31-16-7-5-14(6-8-16)20-28-19-18(17(23)13-27-21(19)29-20)25-10-3-11-26-22(30)15-4-2-9-24-12-15/h2,4-9,12-13H,3,10-11H2,1H3,(H,26,30)(H2,25,27,28,29)","ZEEVDVUFURMNEH-UHFFFAOYSA-N",null,59]
[15874,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397715","C[C@H]1COCCN1C(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C21H23N7O3/c1-13-12-31-5-4-28(13)20(29)11-25-16-6-15(8-23-17(16)7-22)18-9-26-19(10-24-18)27-21(30)14-2-3-14/h6,8-10,13-14,25H,2-5,11-12H2,1H3,(H,26,27,30)/t13-/m0/s1","OFSAJHQVIKCNBS-ZDUSSCGKSA-N",null,63.1]
[15898,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM485831","CN(CCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1C1CC1)C(=O)C1CCC1","InChI=1S/C55H77N9O9S/c1-37-48(74-36-59-37)40-15-13-38(14-16-40)32-57-51(67)46-31-43(65)34-64(46)53(69)49(55(2,3)4)61-47(66)35-72-29-9-27-70-25-6-7-26-71-28-10-30-73-44-21-19-42(20-22-44)60-54-58-33-45(39-17-18-39)50(62-54)56-23-24-63(5)52(68)41-11-8-12-41/h13-16,19-22,33,36,39,41,43,46,49,65H,6-12,17-18,23-32,34-35H2,1-5H3,(H,57,67)(H,61,66)(H2,56,58,60,62)/t43-,46+,49-/m1/s1","KYHLFEPNRQBFFK-YWIAGSDQSA-N",null,65]
[15907,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50520171","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C24H26N8O2/c1-15-26-22(34-30-15)18-4-5-19-20(13-18)28-24(27-19)29-21-12-16(6-7-25-21)14-31-8-10-32(11-9-31)23(33)17-2-3-17/h4-7,12-13,17H,2-3,8-11,14H2,1H3,(H2,25,27,28,29)","XMFSUNMVGUQZBX-UHFFFAOYSA-N",null,67]
[15930,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","IKK epsilon/TBK1","Homo sapiens","BDM50520151","C[C@@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N(C)C)c1","InChI=1S/C27H30F3N9O/c1-17(38-8-10-39(11-9-38)25(40)15-27(28,29)30)18-6-7-31-23(13-18)36-26-34-20-5-4-19(12-22(20)35-26)21-14-24(37(2)3)33-16-32-21/h4-7,12-14,16-17H,8-11,15H2,1-3H3,(H2,31,34,35,36)/t17-/m1/s1","HZRJHVDNTDBTOZ-QGZVFWFLSA-N",null,74]
[15940,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50448982","COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(=O)NCCC(C)C","InChI=1S/C23H24N4O2S/c1-14(2)8-9-24-23(28)20-11-17(13-30-20)16-10-19-22(25-12-16)27-21(26-19)15-4-6-18(29-3)7-5-15/h4-7,10-14H,8-9H2,1-3H3,(H,24,28)(H,25,26,27)","TVWMRPWVPSKLOP-UHFFFAOYSA-N",null,78]
[15961,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278199","CN1CC(CNC1=O)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H31N9O3/c1-35-15-24(14-30-28(35)38)40-25-7-2-19(12-20(25)13-29)26-31-18-32-27(34-26)33-21-3-5-22(6-4-21)36-8-10-37(11-9-36)23-16-39-17-23/h2-7,12,18,23-24H,8-11,14-17H2,1H3,(H,30,38)(H,31,32,33,34)","LTASLXYWYPDQDE-UHFFFAOYSA-N",null,80]
[15973,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209694","Nc1ncc(cc1C(=O)Nc1ccncc1)-c1ccc(CN2CCOCC2)s1","InChI=1S/C20H21N5O2S/c21-19-17(20(26)24-15-3-5-22-6-4-15)11-14(12-23-19)18-2-1-16(28-18)13-25-7-9-27-10-8-25/h1-6,11-12H,7-10,13H2,(H2,21,23)(H,22,24,26)","BXMGOFSMDOETKZ-UHFFFAOYSA-N",null,88,{"$nulls":4},7.5,"30.00 C"]
[15990,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277963","C[C@H](O)C(=O)N1CC[C@H](C[C@H]1C)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C32H38N8O4/c1-21-15-28(9-10-40(21)31(42)22(2)41)44-29-8-3-23(16-24(29)17-33)30-34-20-35-32(37-30)36-25-4-6-26(7-5-25)38-11-13-39(14-12-38)27-18-43-19-27/h3-8,16,20-22,27-28,41H,9-15,18-19H2,1-2H3,(H,34,35,36,37)/t21-,22+,28-/m1/s1","WXHYZVLRPXCVBN-RZIGYZOXSA-N",null,94]
[16010,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246073","Cn1cc(Nc2nccc(n2)-c2ccc(N3CC[C@H](O)C3)c(n2)C#N)cn1","InChI=1S/C18H18N8O/c1-25-10-12(9-21-25)22-18-20-6-4-15(24-18)14-2-3-17(16(8-19)23-14)26-7-5-13(27)11-26/h2-4,6,9-10,13,27H,5,7,11H2,1H3,(H,20,22,24)/t13-/m0/s1","JNJBOCNGANOPTC-ZDUSSCGKSA-N",null,"<100",{"$nulls":4},7.5]
[16023,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245948","F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2cnc(nc2)N2CCOCC2)n1","InChI=1S/C22H22FN9O/c23-17-2-4-32(14-17)20-15(10-24)9-16(11-26-20)19-1-3-25-21(30-19)29-18-12-27-22(28-13-18)31-5-7-33-8-6-31/h1,3,9,11-13,17H,2,4-8,14H2,(H,25,29,30)/t17-/m0/s1","WNXFWGQRXDTJEX-KRWDZBQOSA-N",null,"<100",{"$nulls":4},7.5]
[16041,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246027","Fc1cnc(Nc2ccnc(NC(=O)CN3CCOCC3)c2)nc1-c1cnc(NC2CC2)c(c1)C#N","InChI=1S/C24H24FN9O2/c25-19-13-29-24(33-22(19)16-9-15(11-26)23(28-12-16)30-17-1-2-17)31-18-3-4-27-20(10-18)32-21(35)14-34-5-7-36-8-6-34/h3-4,9-10,12-13,17H,1-2,5-8,14H2,(H,28,30)(H2,27,29,31,32,33,35)","PQWODORNTXCXNF-UHFFFAOYSA-N",null,"<100",{"$nulls":4},7.5]
[16056,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245977","CN(C(=O)CN1CCOCC1)c1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1","InChI=1S/C26H28FN9O2/c1-34(24(37)17-35-8-10-38-11-9-35)23-3-2-21(15-30-23)32-26-29-6-4-22(33-26)19-12-18(13-28)25(31-14-19)36-7-5-20(27)16-36/h2-4,6,12,14-15,20H,5,7-11,16-17H2,1H3,(H,29,32,33)/t20-/m0/s1","LFUDBIVGMVUHOL-FQEVSTJZSA-N",null,"<100",{"$nulls":4},7.5]
[16073,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276985","CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)CO)c(c1)C#N","InChI=1S/C32H33N7O4/c1-37-12-14-39(15-13-37)32(42)22-4-2-21(3-5-22)27-17-26-30(34-20-35-31(26)36-27)23-6-7-28(24(16-23)18-33)43-25-8-10-38(11-9-25)29(41)19-40/h2-7,16-17,20,25,40H,8-15,19H2,1H3,(H,34,35,36)","RXRLWNRSQUSJOR-UHFFFAOYSA-N",null,1.56]
[16074,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276985","CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)CO)c(c1)C#N","InChI=1S/C32H33N7O4/c1-37-12-14-39(15-13-37)32(42)22-4-2-21(3-5-22)27-17-26-30(34-20-35-31(26)36-27)23-6-7-28(24(16-23)18-33)43-25-8-10-38(11-9-25)29(41)19-40/h2-7,16-17,20,25,40H,8-15,19H2,1H3,(H,34,35,36)","RXRLWNRSQUSJOR-UHFFFAOYSA-N",null,1.56,{"$nulls":4},7]
[16090,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276879","CN(C)Cc1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C28H28N4O2/c1-32(2)18-19-3-5-20(6-4-19)26-16-25-24(9-12-30-28(25)31-26)21-7-8-27(22(15-21)17-29)34-23-10-13-33-14-11-23/h3-9,12,15-16,23H,10-11,13-14,18H2,1-2H3,(H,30,31)","BXLOFFCDXFSKIE-UHFFFAOYSA-N",null,1.74]
[16106,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276990","OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1cccc(c1)C(=O)N1CCCC1","InChI=1S/C31H30N6O4/c32-17-23-15-21(6-7-27(23)41-24-8-12-36(13-9-24)28(39)18-38)29-25-16-26(35-30(25)34-19-33-29)20-4-3-5-22(14-20)31(40)37-10-1-2-11-37/h3-7,14-16,19,24,38H,1-2,8-13,18H2,(H,33,34,35)","OYYIEVDIWZMYFO-UHFFFAOYSA-N",null,1.86,{"$nulls":4},7]
[16123,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397758","CC[C@H](Nc1cc(ncc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)C","InChI=1S/C20H23N7O2/c1-4-14(20(29)27(2)3)25-15-7-16(22-9-13(15)8-21)17-10-24-18(11-23-17)26-19(28)12-5-6-12/h7,9-12,14H,4-6H2,1-3H3,(H,22,25)(H,24,26,28)/t14-/m0/s1","SHLRBIVZKAAIQD-AWEZNQCLSA-N",null,100]
[16138,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570844","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(CC3(F)F)C(=O)OC(C)(C)C)c(c2)C#N)ccc1C(=O)N(C)C","InChI=1S/C30H33F2N7O5/c1-29(2,3)44-28(41)39-12-11-23(30(31,32)16-39)43-22-9-7-18(13-19(22)15-33)21-14-25(35-17-34-21)36-24-10-8-20(26(37-24)42-6)27(40)38(4)5/h7-10,13-14,17,23H,11-12,16H2,1-6H3,(H,34,35,36,37)","IKOOPCDKSVLOQG-UHFFFAOYSA-N",null,"<100"]
[16156,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478740","FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ccn[nH]3)c2)CC1","InChI=1S/C23H23F3N8O/c24-23(25,26)13-21(35)34-9-7-33(8-10-34)14-15-3-5-27-20(11-15)31-22-29-18-2-1-16(12-19(18)30-22)17-4-6-28-32-17/h1-6,11-12H,7-10,13-14H2,(H,28,32)(H2,27,29,30,31)","LCBUPFCTXUGZCC-UHFFFAOYSA-N",null,100]
[16173,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570878","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(CC3(F)F)C(=O)[C@@H](C)O)c(c2)C#N)ccc1N1CCN(C)[C@@H](C)C1","InChI=1S/C31H36F2N8O4/c1-19-16-40(12-11-39(19)3)24-6-8-27(38-29(24)44-4)37-28-14-23(35-18-36-28)21-5-7-25(22(13-21)15-34)45-26-9-10-41(17-31(26,32)33)30(43)20(2)42/h5-8,13-14,18-20,26,42H,9-12,16-17H2,1-4H3,(H,35,36,37,38)/t19-,20+,26?/m0/s1","JUSREPNZCAYINS-LUOUWCQUSA-N",null,"<100"]
[16186,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570891","COc1nc(Nc2cc(ncn2)-c2ccc(O[C@@H]3CCN(CC3(F)F)C(=O)[C@H](C)O)c(c2)C#N)ccc1C1CCN(CC1)C1COC1","InChI=1S/C33H37F2N7O5/c1-20(43)32(44)42-12-9-28(33(34,35)18-42)47-27-5-3-22(13-23(27)15-36)26-14-30(38-19-37-26)39-29-6-4-25(31(40-29)45-2)21-7-10-41(11-8-21)24-16-46-17-24/h3-6,13-14,19-21,24,28,43H,7-12,16-18H2,1-2H3,(H,37,38,39,40)/t20-,28+/m0/s1","ZWRBWAXATYXROO-WTYVLRPYSA-N",null,"<100"]
[16206,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570806","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1N1CCS(=O)(=O)CC1","InChI=1S/C26H28N6O5S/c1-35-26-22(32-8-12-38(33,34)13-9-32)3-5-24(31-26)30-25-15-21(28-17-29-25)18-2-4-23(19(14-18)16-27)37-20-6-10-36-11-7-20/h2-5,14-15,17,20H,6-13H2,1H3,(H,28,29,30,31)","FPWSPTPMEOUBKI-UHFFFAOYSA-N",null,"<100"]
[16218,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570819","COc1nc(Nc2cc(ncn2)-c2cnc(OC3CCOCC3)c(c2)C#N)ccc1N1CCN(C)CC1","InChI=1S/C26H30N8O3/c1-33-7-9-34(10-8-33)22-3-4-23(32-26(22)35-2)31-24-14-21(29-17-30-24)19-13-18(15-27)25(28-16-19)37-20-5-11-36-12-6-20/h3-4,13-14,16-17,20H,5-12H2,1-2H3,(H,29,30,31,32)","LXMLDPUVKLWBMZ-UHFFFAOYSA-N",null,"<100"]
[16239,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50401932","Fc1cccc(Nc2ncc(C3CC3)c(NCCCNC(=O)c3cccs3)n2)c1","InChI=1S/C21H22FN5OS/c22-15-4-1-5-16(12-15)26-21-25-13-17(14-7-8-14)19(27-21)23-9-3-10-24-20(28)18-6-2-11-29-18/h1-2,4-6,11-14H,3,7-10H2,(H,24,28)(H2,23,25,26,27)","WUDJRFMUYIPXKI-UHFFFAOYSA-N",null,110]
[16256,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144205","OCC(=O)N1CCC(CCn2cc(Nc3cc(ccn3)-c3ccc(OC4CCOCC4)c(c3)C#N)cn2)CC1","InChI=1S/C29H34N6O4/c30-17-24-15-22(1-2-27(24)39-26-7-13-38-14-8-26)23-3-9-31-28(16-23)33-25-18-32-35(19-25)12-6-21-4-10-34(11-5-21)29(37)20-36/h1-3,9,15-16,18-19,21,26,36H,4-8,10-14,20H2,(H,31,33)","PNYUSFRZJAPJCP-UHFFFAOYSA-N",null,120,{"$nulls":4},7.5,"30.00 C"]
[16266,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397696","CN(CCC#N)C(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C20H20N8O2/c1-28(6-2-5-21)19(29)12-25-15-7-14(9-23-16(15)8-22)17-10-26-18(11-24-17)27-20(30)13-3-4-13/h7,9-11,13,25H,2-4,6,12H2,1H3,(H,26,27,30)","UOGJEEUFFLERHF-UHFFFAOYSA-N",null,126]
[16289,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278051","CS(=O)(=O)N1CC(C1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C27H30N8O4S/c1-40(36,37)35-14-24(15-35)39-25-7-2-19(12-20(25)13-28)26-29-18-30-27(32-26)31-21-3-5-22(6-4-21)33-8-10-34(11-9-33)23-16-38-17-23/h2-7,12,18,23-24H,8-11,14-17H2,1H3,(H,29,30,31,32)","XPGRTKIRPMEPMH-UHFFFAOYSA-N",null,139]
[16298,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277866","CC(O)C(=O)N1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C30H34N8O4/c1-20(39)29(40)38-9-8-26(16-38)42-27-7-2-21(14-22(27)15-31)28-32-19-33-30(35-28)34-23-3-5-24(6-4-23)36-10-12-37(13-11-36)25-17-41-18-25/h2-7,14,19-20,25-26,39H,8-13,16-18H2,1H3,(H,32,33,34,35)/t20?,26-/m1/s1","VHRGHGDLSYNJGT-NBXNUCLWSA-N",null,145]
[16322,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397734","CC1CN(CCO1)C(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C21H23N7O3/c1-13-12-28(4-5-31-13)20(29)11-25-16-6-15(8-23-17(16)7-22)18-9-26-19(10-24-18)27-21(30)14-2-3-14/h6,8-10,13-14,25H,2-5,11-12H2,1H3,(H,26,27,30)","WABCFDLYOVMLMK-UHFFFAOYSA-N",null,158]
[16323,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397724","C[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(CCO)CC#N","InChI=1S/C21H22N8O3/c1-13(21(32)29(5-4-22)6-7-30)27-16-8-15(10-24-17(16)9-23)18-11-26-19(12-25-18)28-20(31)14-2-3-14/h8,10-14,27,30H,2-3,5-7H2,1H3,(H,26,28,31)/t13-/m0/s1","LURPKLCKJBWUJJ-ZDUSSCGKSA-N",null,158]
[16346,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144128","OC(=O)c1ccnc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1","InChI=1S/C23H20N4O4/c24-14-18-11-15(1-2-20(18)31-19-5-9-30-10-6-19)16-3-7-25-21(12-16)27-22-13-17(23(28)29)4-8-26-22/h1-4,7-8,11-13,19H,5-6,9-10H2,(H,28,29)(H,25,26,27)","KPJNILHFVBUXEY-UHFFFAOYSA-N",null,170,{"$nulls":4},7.5,"30.00 C"]
[16356,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357919","CC(C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)-c1nnn[nH]1","InChI=1S/C16H14N6O2/c1-7(2)8-3-4-12-9(5-8)13(23)10-6-11(15-19-21-22-20-15)14(17)18-16(10)24-12/h3-7H,1-2H3,(H2,17,18)(H,19,20,21,22)","YHCFWEQYIPEHCK-UHFFFAOYSA-N",null,180]
[16378,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205239","NC(=O)c1nc(sc1NC(=O)c1ccsc1)-c1ccncc1","InChI=1S/C14H10N4O2S2/c15-11(19)10-14(18-12(20)9-3-6-21-7-9)22-13(17-10)8-1-4-16-5-2-8/h1-7H,(H2,15,19)(H,18,20)","GLXBQRZXUMNQRW-UHFFFAOYSA-N",null,200,{"$nulls":4},7.5,"30.00 C"]
[16389,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478416","FC(F)(F)c1nccc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC4CC4)ccn3)[nH]c2c1","InChI=1S/C27H27F3N8O/c28-27(29,30)25-32-8-6-20(33-25)19-3-4-21-22(15-19)35-26(34-21)36-23-13-18(5-7-31-23)16-37-9-11-38(12-10-37)24(39)14-17-1-2-17/h3-8,13,15,17H,1-2,9-12,14,16H2,(H2,31,34,35,36)","DYRYEIWYQMNRIS-UHFFFAOYSA-N",null,203]
[16409,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478863","CCOc1ncnc(-c2ccc3nc(Nc4cc(CN5CCN(CC5)C(=O)OC(C)(C)C)ccn4)[nH]c3c2)c1OC","InChI=1S/C29H36N8O4/c1-6-40-26-25(39-5)24(31-18-32-26)20-7-8-21-22(16-20)34-27(33-21)35-23-15-19(9-10-30-23)17-36-11-13-37(14-12-36)28(38)41-29(2,3)4/h7-10,15-16,18H,6,11-14,17H2,1-5H3,(H2,30,33,34,35)","YQSVWEAAZSMEJG-UHFFFAOYSA-N",null,222]
[16422,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379379","CCOc1ccc(cc1)-c1nc2ncc(Br)c(NC)c2[nH]1","InChI=1S/C15H15BrN4O/c1-3-21-10-6-4-9(5-7-10)14-19-13-12(17-2)11(16)8-18-15(13)20-14/h4-8H,3H2,1-2H3,(H2,17,18,19,20)","FIASWBLFYIGRQT-UHFFFAOYSA-N",null,231]
[16439,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478308","CCOc1cnc(C)cc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C28H30F3N7O2/c1-3-40-24-16-33-18(2)12-21(24)20-4-5-22-23(14-20)35-27(34-22)36-25-13-19(6-7-32-25)17-37-8-10-38(11-9-37)26(39)15-28(29,30)31/h4-7,12-14,16H,3,8-11,15,17H2,1-2H3,(H2,32,34,35,36)","NMJGFUSSYWFNDP-UHFFFAOYSA-N",null,251]
[16458,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278376","O=C(NCCOc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)c1cccnc1","InChI=1S/C31H31N9O3/c32-17-24-16-22(3-8-28(24)43-15-10-34-30(41)23-2-1-9-33-18-23)29-35-21-36-31(38-29)37-25-4-6-26(7-5-25)39-11-13-40(14-12-39)27-19-42-20-27/h1-9,16,18,21,27H,10-15,19-20H2,(H,34,41)(H,35,36,37,38)","OBWLDNKSQSVPND-UHFFFAOYSA-N",null,267]
[16472,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478291","COc1cc(c(F)cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CCC4)ccn3)[nH]c2c1","InChI=1S/C28H30FN7O2/c1-38-26-15-21(22(29)16-31-26)20-5-6-23-24(14-20)33-28(32-23)34-25-13-18(7-8-30-25)17-35-9-11-36(12-10-35)27(37)19-3-2-4-19/h5-8,13-16,19H,2-4,9-12,17H2,1H3,(H2,30,32,33,34)","JNCQLAAWMMZOPB-UHFFFAOYSA-N",null,279]
[16489,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478309","CCOc1cnc(C)cc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C29H33N7O2/c1-3-38-26-17-31-19(2)14-23(26)22-6-7-24-25(16-22)33-29(32-24)34-27-15-20(8-9-30-27)18-35-10-12-36(13-11-35)28(37)21-4-5-21/h6-9,14-17,21H,3-5,10-13,18H2,1-2H3,(H2,30,32,33,34)","FUPWLTAHCUDTQN-UHFFFAOYSA-N",null,297]
[16505,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148117","Cn1nccc1Nc1nccc(n1)-c1ccc(N2CC[C@H](O)C2)c(c1)C#N","InChI=1S/C19H19N7O/c1-25-18(5-8-22-25)24-19-21-7-4-16(23-19)13-2-3-17(14(10-13)11-20)26-9-6-15(27)12-26/h2-5,7-8,10,15,27H,6,9,12H2,1H3,(H,21,23,24)/t15-/m0/s1","ODYAIQQUGOAPGH-HNNXBMFYSA-N",null,"<300",{"$nulls":4},7.5]
[16522,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397731","FC(F)(F)C1CN(CCO1)C(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C21H20F3N7O3/c22-21(23,24)17-11-31(3-4-34-17)19(32)10-28-14-5-13(7-26-15(14)6-25)16-8-29-18(9-27-16)30-20(33)12-1-2-12/h5,7-9,12,17,28H,1-4,10-11H2,(H,29,30,33)","RLMYGCYYOILBNN-UHFFFAOYSA-N",null,316]
[16537,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478323","COc1ncccc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C26H26F3N7O2/c1-38-24-19(3-2-7-31-24)18-4-5-20-21(14-18)33-25(32-20)34-22-13-17(6-8-30-22)16-35-9-11-36(12-10-35)23(37)15-26(27,28)29/h2-8,13-14H,9-12,15-16H2,1H3,(H2,30,32,33,34)","JUZJIPXSAPYHLR-UHFFFAOYSA-N",null,339]
[16555,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478897","O=C(C1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ncccn3)c2)CC1","InChI=1S/C25H26N8O/c34-24(18-2-3-18)33-12-10-32(11-13-33)16-17-6-9-26-22(14-17)31-25-29-20-5-4-19(15-21(20)30-25)23-27-7-1-8-28-23/h1,4-9,14-15,18H,2-3,10-13,16H2,(H2,26,29,30,31)","NGTLOVKHVQWXTL-UHFFFAOYSA-N",null,364]
[16569,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478305","COc1cnc(C)cc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CCC4)ccn3)[nH]c2c1","InChI=1S/C29H33N7O2/c1-19-14-23(26(38-2)17-31-19)22-6-7-24-25(16-22)33-29(32-24)34-27-15-20(8-9-30-27)18-35-10-12-36(13-11-35)28(37)21-4-3-5-21/h6-9,14-17,21H,3-5,10-13,18H2,1-2H3,(H2,30,32,33,34)","XDFWKFSHLAYGNX-UHFFFAOYSA-N",null,384]
[16572,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379338","CNc1c(Br)cnc2nc([nH]c12)-c1ccc(cc1)N1CCCC1","InChI=1S/C17H18BrN5/c1-19-14-13(18)10-20-17-15(14)21-16(22-17)11-4-6-12(7-5-11)23-8-2-3-9-23/h4-7,10H,2-3,8-9H2,1H3,(H2,19,20,21,22)","KZMRGZYTDOGXKO-UHFFFAOYSA-N",null,388]
[16589,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153749","Fc1ccc(CCNC2=NC(=O)\\C(S2)=C\\c2ccc3ncccc3c2)cc1","InChI=1S/C21H16FN3OS/c22-17-6-3-14(4-7-17)9-11-24-21-25-20(26)19(27-21)13-15-5-8-18-16(12-15)2-1-10-23-18/h1-8,10,12-13H,9,11H2,(H,24,25,26)/b19-13-","UXZMCMNLBUGBMC-UYRXBGFRSA-N",null,402]
[16617,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278354","Cc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@H](O)CO)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C32H37FN8O5/c1-20-12-23(3-4-26(20)40-10-8-39(9-11-40)24-17-45-18-24)37-32-36-19-35-30(38-32)21-2-5-28(22(13-21)14-34)46-29-6-7-41(15-25(29)33)31(44)27(43)16-42/h2-5,12-13,19,24-25,27,29,42-43H,6-11,15-18H2,1H3,(H,35,36,37,38)/t25-,27-,29+/m1/s1","ZUULQRGJBADZKY-NLFWHDTNSA-N",null,2]
[16622,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278359","OC[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C(F)(F)C1","InChI=1S/C31H34F2N8O5/c32-31(33)18-41(29(44)25(43)15-42)8-7-27(31)46-26-6-1-20(13-21(26)14-34)28-35-19-36-30(38-28)37-22-2-4-23(5-3-22)39-9-11-40(12-10-39)24-16-45-17-24/h1-6,13,19,24-25,27,42-43H,7-12,15-18H2,(H,35,36,37,38)/t25-,27-/m0/s1","JFXFMSJQRUXRSJ-BDYUSTAISA-N",null,2]
[16649,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278020","C[C@@H]1CN(CCN1c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)cc1)C1COC1","InChI=1S/C31H35FN8O4/c1-20-14-38(25-17-43-18-25)10-11-40(20)24-5-3-23(4-6-24)36-31-35-19-34-30(37-31)21-2-7-27(22(12-21)13-33)44-28-8-9-39(15-26(28)32)29(42)16-41/h2-7,12,19-20,25-26,28,41H,8-11,14-18H2,1H3,(H,34,35,36,37)/t20-,26-,28+/m1/s1","OYQSRSUSXBDIKK-LVPRMVSMSA-N",null,2]
[16655,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278161","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCOC[C@H]3CO)n2)[C@H](F)C1","InChI=1S/C29H32FN7O5/c1-18(39)28(40)36-9-8-26(24(30)14-36)42-25-7-2-19(12-20(25)13-31)27-32-17-33-29(35-27)34-21-3-5-22(6-4-21)37-10-11-41-16-23(37)15-38/h2-7,12,17-18,23-24,26,38-39H,8-11,14-16H2,1H3,(H,32,33,34,35)/t18-,23+,24+,26-/m0/s1","GHZHOTWEULSCJL-CYQFXYHLSA-N",null,2]
[16666,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478664","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)c4ccncc4)ccn3)[nH]c2c1","InChI=1S/C25H25N9O/c1-17-28-24(35-32-17)19-2-3-21-22(15-19)30-25(29-21)31-23-14-18(4-9-27-23)16-33-10-12-34(13-11-33)20-5-7-26-8-6-20/h2-9,14-15H,10-13,16H2,1H3,(H2,27,29,30,31)","GKYSWBFPJGIMGD-UHFFFAOYSA-N",null,450]
[16688,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50469234","Nc1nc2oc3ccc(cc3c(=O)c2cc1-c1nn[nH]n1)C1=CCCCC1","InChI=1S/C19H16N6O2/c20-17-14(18-22-24-25-23-18)9-13-16(26)12-8-11(10-4-2-1-3-5-10)6-7-15(12)27-19(13)21-17/h4,6-9H,1-3,5H2,(H2,20,21)(H,22,23,24,25)","MRXMSGWSWWMSMF-UHFFFAOYSA-N",null,490]
[16705,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478784","CN(C)c1cnc(cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C28H35N9O2/c1-28(2,3)39-27(38)37-12-10-36(11-13-37)18-19-8-9-29-24(14-19)34-26-32-21-7-6-20(15-22(21)33-26)23-16-31-25(17-30-23)35(4)5/h6-9,14-17H,10-13,18H2,1-5H3,(H2,29,32,33,34)","YJRPQJHPSADWTK-UHFFFAOYSA-N",null,510]
[16714,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278368","C[C@H](O)C(=O)N1CC[C@H](COc2cc(cc(c2)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C#N)C1","InChI=1S/C31H36N8O4/c1-21(40)30(41)39-7-6-22(16-39)17-43-28-13-23(15-32)12-24(14-28)29-33-20-34-31(36-29)35-25-2-4-26(5-3-25)37-8-10-38(11-9-37)27-18-42-19-27/h2-5,12-14,20-22,27,40H,6-11,16-19H2,1H3,(H,33,34,35,36)/t21-,22-/m0/s1","MNZJWHIMKZAPIA-VXKWHMMOSA-N",null,528]
[16738,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM2591","Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12","InChI=1S/C22H17N3O2/c1-24-11-15(13-7-3-5-9-17(13)24)19-20(22(27)23-21(19)26)16-12-25(2)18-10-6-4-8-14(16)18/h3-12H,1-2H3,(H,23,26,27)","DWLMLPCWSGBXMZ-UHFFFAOYSA-N",null,558]
[16746,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478502","CC(C)Cc1nc(-c2ccc3nc(Nc4cc(CN5CCN(CC5)C(=O)OC(C)(C)C)ccn4)[nH]c3c2)n(C)n1","InChI=1S/C29H39N9O2/c1-19(2)15-25-33-26(36(6)35-25)21-7-8-22-23(17-21)32-27(31-22)34-24-16-20(9-10-30-24)18-37-11-13-38(14-12-37)28(39)40-29(3,4)5/h7-10,16-17,19H,11-15,18H2,1-6H3,(H2,30,31,32,34)","CEUBLFDZKJMWLX-UHFFFAOYSA-N",null,577]
[16771,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276864","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)C1CC1","InChI=1S/C22H21N3O2/c23-13-16-11-15(3-4-21(16)27-17-6-9-26-10-7-17)18-5-8-24-22-19(18)12-20(25-22)14-1-2-14/h3-5,8,11-12,14,17H,1-2,6-7,9-10H2,(H,24,25)","WWRBLGBEFCCCCB-UHFFFAOYSA-N",null,651,{"$nulls":4},7]
[16788,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478506","O=C(C1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3nc(c[nH]3)C3CC3)c2)CC1","InChI=1S/C27H30N8O/c36-26(19-3-4-19)35-11-9-34(10-12-35)16-17-7-8-28-24(13-17)33-27-31-21-6-5-20(14-22(21)32-27)25-29-15-23(30-25)18-1-2-18/h5-8,13-15,18-19H,1-4,9-12,16H2,(H,29,30)(H2,28,31,32,33)","QKFXADPFOUNZGJ-UHFFFAOYSA-N",null,696]
[16794,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153728","CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Oc2ccc(N)cc2)n1","InChI=1S/C19H24N8O/c1-13-11-17(25-24-13)21-16-12-18(27-9-7-26(2)8-10-27)23-19(22-16)28-15-5-3-14(20)4-6-15/h3-6,11-12H,7-10,20H2,1-2H3,(H2,21,22,23,24,25)","KWFNPPHHKZGWMQ-UHFFFAOYSA-N",null,730]
[16821,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50401931","Fc1ccccc1Nc1ncc(C2CC2)c(NCCCNC(=O)c2cccs2)n1","InChI=1S/C21H22FN5OS/c22-16-5-1-2-6-17(16)26-21-25-13-15(14-8-9-14)19(27-21)23-10-4-11-24-20(28)18-7-3-12-29-18/h1-3,5-7,12-14H,4,8-11H2,(H,24,28)(H2,23,25,26,27)","PAHAEQCXQIADLT-UHFFFAOYSA-N",null,820]
[16826,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","IKK epsilon/TBK1","Homo sapiens","BDM50520160","Cc1cc(ccn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C26H26F3N7O/c1-17-12-20(5-7-30-17)19-2-3-21-22(14-19)33-25(32-21)34-23-13-18(4-6-31-23)16-35-8-10-36(11-9-35)24(37)15-26(27,28)29/h2-7,12-14H,8-11,15-16H2,1H3,(H2,31,32,33,34)","SINJOIVMLYFADD-UHFFFAOYSA-N",null,840]
[16838,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM373538","OC(=O)CCCCCN1C(=O)N\\C(=C/c2c(NCc3ccco3)nc3ccccn3c2=O)C1=O","InChI=1S/C23H23N5O6/c29-19(30)9-2-1-4-11-28-22(32)17(25-23(28)33)13-16-20(24-14-15-7-6-12-34-15)26-18-8-3-5-10-27(18)21(16)31/h3,5-8,10,12-13,24H,1-2,4,9,11,14H2,(H,25,33)(H,29,30)/b17-13-","UTCYYEKLSXFISX-LGMDPLHJSA-N",null,870]
[16858,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277982","C[C@@H]1C[C@@H](O)CN1c1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H32N8O2/c1-19-12-25(37)15-36(19)26-7-2-20(13-21(26)14-29)27-30-18-31-28(33-27)32-22-3-5-23(6-4-22)34-8-10-35(11-9-34)24-16-38-17-24/h2-7,13,18-19,24-25,37H,8-12,15-17H2,1H3,(H,30,31,32,33)/t19-,25-/m1/s1","IYOHUZINNTYJDG-KBMIEXCESA-N",null,1000,{"$nulls":4},7]
[16871,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277802","COc1cc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cc(OC)c1OC","InChI=1S/C24H25N5O5/c1-30-20-11-17(12-21(31-2)22(20)32-3)28-24-27-14-26-23(29-24)15-4-5-19(16(10-15)13-25)34-18-6-8-33-9-7-18/h4-5,10-12,14,18H,6-9H2,1-3H3,(H,26,27,28,29)","WNPBFIJEFIXYRM-UHFFFAOYSA-N",null,1000,{"$nulls":4},7]
[16888,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245967","F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccn[nH]2)n1",{"$nulls":3},"<1000",{"$nulls":4},7.5]
[16906,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278262","CS(=O)(=O)c1ccc(cc1)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C23H26N6O3S/c1-33(30,31)21-8-2-17(3-9-21)22-24-16-25-23(27-22)26-18-4-6-19(7-5-18)28-10-12-29(13-11-28)20-14-32-15-20/h2-9,16,20H,10-15H2,1H3,(H,24,25,26,27)","XDCKRBDBDXPRDX-UHFFFAOYSA-N",null,1000]
[16921,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276942","CN1CCN(CC1)C(=O)c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C25H27N5O3/c1-29-8-10-30(11-9-29)25(31)22-15-21-20(4-7-27-24(21)28-22)17-2-3-23(18(14-17)16-26)33-19-5-12-32-13-6-19/h2-4,7,14-15,19H,5-6,8-13H2,1H3,(H,27,28)","CPOMPMCLFHSOKH-UHFFFAOYSA-N",null,1000]
[16937,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277030","O=C1NCc2cc(ccc12)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C24H21N5O2/c30-24-19-6-3-16(11-17(19)13-25-24)22-20-12-21(28-23(20)27-14-26-22)15-1-4-18(5-2-15)29-7-9-31-10-8-29/h1-6,11-12,14H,7-10,13H2,(H,25,30)(H,26,27,28)","SQYGDCGAPWVOBG-UHFFFAOYSA-N",null,1000,{"$nulls":4},7]
[16954,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM331166","Cn1cc(cn1)-c1cnc2[nH]cc(-c3cn(C)c4cnccc34)c2c1","InChI=1S/C19H16N6/c1-24-11-17(14-3-4-20-9-18(14)24)16-8-22-19-15(16)5-12(6-21-19)13-7-23-25(2)10-13/h3-11H,1-2H3,(H,21,22)","ZVVZTCJTEKTKSF-UHFFFAOYSA-N",null,"<1000"]
[16971,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50235830","CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1","InChI=1S/C18H19F3N6O/c1-2-8-23-16(28)11-3-5-12(6-4-11)25-17-26-14-13(7-9-22-14)15(27-17)24-10-18(19,20)21/h3-7,9H,2,8,10H2,1H3,(H,23,28)(H3,22,24,25,26,27)","UJBJWYNPUOLFIZ-UHFFFAOYSA-N",null,1070]
[16986,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357874","Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1=CCC(O)CC1","InChI=1S/C19H16N2O5/c20-17-14(19(24)25)8-13-16(23)12-7-10(9-1-4-11(22)5-2-9)3-6-15(12)26-18(13)21-17/h1,3,6-8,11,22H,2,4-5H2,(H2,20,21)(H,24,25)","XGVLVOVCMCFPGA-UHFFFAOYSA-N",null,1200]
[17004,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50520171","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C24H26N8O2/c1-15-26-22(34-30-15)18-4-5-19-20(13-18)28-24(27-19)29-21-12-16(6-7-25-21)14-31-8-10-32(11-9-31)23(33)17-2-3-17/h4-7,12-13,17H,2-3,8-11,14H2,1H3,(H2,25,27,28,29)","XMFSUNMVGUQZBX-UHFFFAOYSA-N",null,1270]
[17017,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276909","N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc2[nH]ccc12","InChI=1S/C18H16N4O2/c19-10-13-9-12(17-15-3-6-20-18(15)22-11-21-17)1-2-16(13)24-14-4-7-23-8-5-14/h1-3,6,9,11,14H,4-5,7-8H2,(H,20,21,22)","SIWIWGFEIYEGDB-UHFFFAOYSA-N",null,1409,{"$nulls":4},7]
[17037,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357898","CC(C)c1ccc2oc3nc(N)c(CO)cc3c(=O)c2c1","InChI=1S/C16H16N2O3/c1-8(2)9-3-4-13-11(5-9)14(20)12-6-10(7-19)15(17)18-16(12)21-13/h3-6,8,19H,7H2,1-2H3,(H2,17,18)","FNXYAAYXMAUWBG-UHFFFAOYSA-N",null,1560]
[17054,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50313012","Cn1cc(C2=C(C(=O)NC2=O)c2c3CN(CCn3c3ccccc23)C(N)=S)c2ccccc12","InChI=1S/C25H21N5O2S/c1-28-12-16(14-6-2-4-8-17(14)28)21-22(24(32)27-23(21)31)20-15-7-3-5-9-18(15)30-11-10-29(25(26)33)13-19(20)30/h2-9,12H,10-11,13H2,1H3,(H2,26,33)(H,27,31,32)","BTWNSUFXMWNHMU-UHFFFAOYSA-N",null,1760]
[17065,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144195","NC(=O)c1cc2cc(Nc3cc(ccn3)-c3ccc(OC4CCOCC4)c(c3)C#N)ccc2o1","InChI=1S/C26H22N4O4/c27-15-19-11-16(1-3-23(19)33-21-6-9-32-10-7-21)17-5-8-29-25(14-17)30-20-2-4-22-18(12-20)13-24(34-22)26(28)31/h1-5,8,11-14,21H,6-7,9-10H2,(H2,28,31)(H,29,30)","LVXJQGLDSZJKLU-UHFFFAOYSA-N",null,1900,{"$nulls":4},7.5,"30.00 C"]
[17071,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278040","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(C4COC4)[C@@H](C)C3)n2)C(F)(F)C1","InChI=1S/C32H36F2N8O4/c1-20-15-40(11-12-42(20)26-16-45-17-26)25-6-4-24(5-7-25)38-31-37-19-36-29(39-31)22-3-8-27(23(13-22)14-35)46-28-9-10-41(18-32(28,33)34)30(44)21(2)43/h3-8,13,19-21,26,28,43H,9-12,15-18H2,1-2H3,(H,36,37,38,39)/t20-,21-,28-/m0/s1","QMNCWTOVWSKQHV-CZBREUMFSA-N",null,2000,{"$nulls":4},7]
[17097,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277922","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1nnc[nH]1",{"$nulls":3},2000,{"$nulls":4},7]
[17104,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277949","CC1CC(CC(C)N1C(=O)CO)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C32H38N8O4/c1-21-13-28(14-22(2)40(21)30(42)17-41)44-29-8-3-23(15-24(29)16-33)31-34-20-35-32(37-31)36-25-4-6-26(7-5-25)38-9-11-39(12-10-38)27-18-43-19-27/h3-8,15,20-22,27-28,41H,9-14,17-19H2,1-2H3,(H,34,35,36,37)","IKUQRJKFDNDOSK-UHFFFAOYSA-N",null,2000,{"$nulls":4},7]
[17129,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278356","COc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@@H](O)CO)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C32H37FN8O6/c1-45-29-13-22(3-4-25(29)40-10-8-39(9-11-40)23-17-46-18-23)37-32-36-19-35-30(38-32)20-2-5-27(21(12-20)14-34)47-28-6-7-41(15-24(28)33)31(44)26(43)16-42/h2-5,12-13,19,23-24,26,28,42-43H,6-11,15-18H2,1H3,(H,35,36,37,38)/t24-,26+,28+/m1/s1","LTWUQUYWPHRFIK-XDIPAPSNSA-N",null,2000,{"$nulls":4},7]
[17137,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278291","Cc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@@H](O)CO)c(c2)C#N)cnc1N1CCN(CC1)C1COC1","InChI=1S/C31H36FN9O5/c1-19-10-22(13-34-29(19)40-8-6-39(7-9-40)23-16-45-17-23)37-31-36-18-35-28(38-31)20-2-3-26(21(11-20)12-33)46-27-4-5-41(14-24(27)32)30(44)25(43)15-42/h2-3,10-11,13,18,23-25,27,42-43H,4-9,14-17H2,1H3,(H,35,36,37,38)/t24-,25+,27+/m1/s1","SDJZXXAGAUAGTD-OBDYRVMHSA-N",null,2000,{"$nulls":4},7]
[17154,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278270","COCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(C4CCN(CC4)C=O)c(C)c3)n2)[C@H](F)C1","InChI=1S/C31H34FN7O4/c1-20-13-24(4-5-25(20)21-7-10-38(19-40)11-8-21)36-31-35-18-34-30(37-31)22-3-6-27(23(14-22)15-33)43-28-9-12-39(16-26(28)32)29(41)17-42-2/h3-6,13-14,18-19,21,26,28H,7-12,16-17H2,1-2H3,(H,34,35,36,37)/t26-,28+/m1/s1","ZTDINRKSUABPHP-IAPPQJPRSA-N",null,2000,{"$nulls":4},7]
[17177,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278134","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1cn[nH]c1",{"$nulls":3},2]
[17187,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278286","COc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)ccc1N1CCN(C)C[C@@H]1C","InChI=1S/C30H35FN8O4/c1-19-15-37(2)10-11-39(19)24-6-5-22(13-27(24)42-3)35-30-34-18-33-29(36-30)20-4-7-25(21(12-20)14-32)43-26-8-9-38(16-23(26)31)28(41)17-40/h4-7,12-13,18-19,23,26,40H,8-11,15-17H2,1-3H3,(H,33,34,35,36)/t19-,23+,26-/m0/s1","RTNHWTLGYOUURJ-CNPGNWEMSA-N",null,2]
[17209,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277833","NC(=O)c1ccc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cc1","InChI=1S/C22H20N6O3/c23-12-16-11-15(3-6-19(16)31-18-7-9-30-10-8-18)21-25-13-26-22(28-21)27-17-4-1-14(2-5-17)20(24)29/h1-6,11,13,18H,7-10H2,(H2,24,29)(H,25,26,27,28)","BTKYEHNXCFJUHN-UHFFFAOYSA-N",null,2]
[17220,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278188","O[C@H]1C[C@H](NC1=O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C33H36FN9O5/c34-25-16-43(32(46)26-14-27(44)31(45)39-26)8-7-29(25)48-28-6-1-20(13-21(28)15-35)30-36-19-37-33(40-30)38-22-2-4-23(5-3-22)41-9-11-42(12-10-41)24-17-47-18-24/h1-6,13,19,24-27,29,44H,7-12,14,16-18H2,(H,39,45)(H,36,37,38,40)/t25-,26+,27+,29+/m1/s1","RERCCWNKTWZZCZ-COROXYKFSA-N",null,2000,{"$nulls":4},7]
[17237,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278035","C[C@H]1CN(CCN1c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)c3ccn[nH]3)c(c2)C#N)cc1)C1COC1",{"$nulls":3},2000,{"$nulls":4},7]
[17257,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379385","CN(C)CCCNc1c(Br)cnc2nc([nH]c12)-c1ccc(OCCN2CCCCC2)cc1","InChI=1S/C24H33BrN6O/c1-30(2)12-6-11-26-21-20(25)17-27-24-22(21)28-23(29-24)18-7-9-19(10-8-18)32-16-15-31-13-4-3-5-14-31/h7-10,17H,3-6,11-16H2,1-2H3,(H2,26,27,28,29)","WMTSXEYIPRFKBI-UHFFFAOYSA-N",null,2290]
[17270,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569867","CC(C)n1nccc1-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},2600]
[17274,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM2590","Cn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12","InChI=1S/C21H15N3O2/c1-24-11-15(13-7-3-5-9-17(13)24)19-18(20(25)23-21(19)26)14-10-22-16-8-4-2-6-12(14)16/h2-11,22H,1H3,(H,23,25,26)","SEAKDKTVXBDRHV-UHFFFAOYSA-N",null,2690]
[17303,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278240","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3=O)C3COC3)n2)[C@H](F)C1","InChI=1S/C31H33FN8O5/c1-19(41)30(43)39-9-8-27(25(32)14-39)45-26-7-2-20(12-21(26)13-33)29-34-18-35-31(37-29)36-22-3-5-23(6-4-22)40-11-10-38(15-28(40)42)24-16-44-17-24/h2-7,12,18-19,24-25,27,41H,8-11,14-17H2,1H3,(H,34,35,36,37)/t19-,25+,27-/m0/s1","YKBZGTPZXATTES-UYDITSSVSA-N",null,3000,{"$nulls":4},7]
[17320,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278180","COCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(N4CCN(CC4)C4COC4)c(F)c3)n2)[C@H](F)C1","InChI=1S/C31H34F2N8O4/c1-43-18-29(42)41-7-6-28(25(33)15-41)45-27-5-2-20(12-21(27)14-34)30-35-19-36-31(38-30)37-22-3-4-26(24(32)13-22)40-10-8-39(9-11-40)23-16-44-17-23/h2-5,12-13,19,23,25,28H,6-11,15-18H2,1H3,(H,35,36,37,38)/t25-,28+/m1/s1","IMGZOBKTFZTCDS-NAKRPHOHSA-N",null,3000,{"$nulls":4},7]
[17322,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278184","F[C@H]1C[C@H](NC1=O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C33H35F2N9O4/c34-25-14-27(40-31(25)45)32(46)44-8-7-29(26(35)16-44)48-28-6-1-20(13-21(28)15-36)30-37-19-38-33(41-30)39-22-2-4-23(5-3-22)42-9-11-43(12-10-42)24-17-47-18-24/h1-6,13,19,24-27,29H,7-12,14,16-18H2,(H,40,45)(H,37,38,39,41)/t25-,26+,27-,29-/m0/s1","OPGSVVRUCFLAEU-UMNYJUJISA-N",null,3000,{"$nulls":4},7]
[17337,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278147","C[C@H](O)C(=O)N1CCC(Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(N4CCN(CC4)C4COC4)c(c3)C#N)n2)[C@H](F)C1","InChI=1S/C32H34FN9O4/c1-20(43)31(44)42-7-6-29(26(33)16-42)46-28-5-2-21(12-23(28)15-35)30-36-19-37-32(39-30)38-24-3-4-27(22(13-24)14-34)41-10-8-40(9-11-41)25-17-45-18-25/h2-5,12-13,19-20,25-26,29,43H,6-11,16-18H2,1H3,(H,36,37,38,39)/t20-,26+,29?/m0/s1","GVDACVANNMZVPA-TZTRIWSSSA-N",null,3000,{"$nulls":4},7]
[17354,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277991","N#Cc1cc(ccc1N1CCC2(CCOC2)CC1)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C31H36N8O2/c32-18-24-17-23(1-6-28(24)39-10-7-31(8-11-39)9-16-40-21-31)29-33-22-34-30(36-29)35-25-2-4-26(5-3-25)37-12-14-38(15-13-37)27-19-41-20-27/h1-6,17,22,27H,7-16,19-21H2,(H,33,34,35,36)","JYFXAIKWNGOWSR-UHFFFAOYSA-N",null,3000,{"$nulls":4},7]
[17370,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277942","FC1(F)CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1ccn[nH]1",{"$nulls":3},3000,{"$nulls":4},7]
[17386,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278397","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN4CCOC[C@H]4C3)n2)[C@H](F)C1","InChI=1S/C31H35FN8O4/c1-20(41)30(42)40-9-8-28(26(32)17-40)44-27-7-2-21(14-22(27)15-33)29-34-19-35-31(37-29)36-23-3-5-24(6-4-23)39-11-10-38-12-13-43-18-25(38)16-39/h2-7,14,19-20,25-26,28,41H,8-13,16-18H2,1H3,(H,34,35,36,37)/t20-,25+,26+,28-/m0/s1","WWZJQLLFILQMRL-UWYZJRGRSA-N",null,3000,{"$nulls":4},7]
[17403,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM2608","Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccc(N)cc23)c2ccccc12","InChI=1S/C22H18N4O2/c1-25-10-15(13-5-3-4-6-17(13)25)19-20(22(28)24-21(19)27)16-11-26(2)18-8-7-12(23)9-14(16)18/h3-11H,23H2,1-2H3,(H,24,27,28)","LSAVPOITAZCHEO-UHFFFAOYSA-N",null,3370]
[17420,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357902","Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C#CC1CC1","InChI=1S/C18H12N2O4/c19-16-13(18(22)23)8-12-15(21)11-7-10(4-3-9-1-2-9)5-6-14(11)24-17(12)20-16/h5-9H,1-2H2,(H2,19,20)(H,22,23)","YLINQFYDFPJXHY-UHFFFAOYSA-N",null,3980]
[17434,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278078","CN1CCN(CC1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCOC[C@H]3F)c(c2)C#N)cc1","InChI=1S/C26H28FN7O2/c1-33-9-11-34(12-10-33)21-5-3-20(4-6-21)31-26-30-17-29-25(32-26)18-2-7-23(19(14-18)15-28)36-24-8-13-35-16-22(24)27/h2-7,14,17,22,24H,8-13,16H2,1H3,(H,29,30,31,32)/t22-,24+/m1/s1","KHRISKHKLBHVIT-VWNXMTODSA-N",null,4000,{"$nulls":4},7]
[17453,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278245","OC[C@H]1CN(CCO1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CC#N)c(c2)C#N)cc1","InChI=1S/C29H29FN8O4/c30-24-16-38(27(40)7-9-31)10-8-26(24)42-25-6-1-19(13-20(25)14-32)28-33-18-34-29(36-28)35-21-2-4-22(5-3-21)37-11-12-41-23(15-37)17-39/h1-6,13,18,23-24,26,39H,7-8,10-12,15-17H2,(H,33,34,35,36)/t23-,24-,26+/m1/s1","FTSISPFEFJKHQN-MZKUHISZSA-N",null,4000,{"$nulls":4},7]
[17465,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278105","COc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CC#N)c(c2)C#N)ccc1N1CCC(CC1)N1CCOCC1","InChI=1S/C34H38FN9O4/c1-46-31-19-25(3-4-28(31)43-11-7-26(8-12-43)42-14-16-47-17-15-42)40-34-39-22-38-33(41-34)23-2-5-29(24(18-23)20-37)48-30-9-13-44(21-27(30)35)32(45)6-10-36/h2-5,18-19,22,26-27,30H,6-9,11-17,21H2,1H3,(H,38,39,40,41)/t27-,30+/m1/s1","XKBKVVYGYYKNBU-OFSOJUDTSA-N",null,4000,{"$nulls":4},7]
[17486,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209653","Nc1ncc(nc1C(=O)Nc1ccncc1)-c1ccc(CN2CCCC2)s1","InChI=1S/C19H20N6OS/c20-18-17(19(26)23-13-5-7-21-8-6-13)24-15(11-22-18)16-4-3-14(27-16)12-25-9-1-2-10-25/h3-8,11H,1-2,9-10,12H2,(H2,20,22)(H,21,23,26)","OMOXTMUUFOXFFR-UHFFFAOYSA-N",null,4200,{"$nulls":4},7.5,"30.00 C"]
[17503,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278029","C[C@H]1CN(CCN1c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CCO)c(c2)C#N)cc1)C1COC1","InChI=1S/C32H37FN8O4/c1-21-16-39(26-18-44-19-26)11-12-41(21)25-5-3-24(4-6-25)37-32-36-20-35-31(38-32)22-2-7-28(23(14-22)15-34)45-29-8-10-40(17-27(29)33)30(43)9-13-42/h2-7,14,20-21,26-27,29,42H,8-13,16-19H2,1H3,(H,35,36,37,38)/t21-,27+,29-/m0/s1","GHMJUVTUHKPGKE-PEXXQYNDSA-N",null,5000,{"$nulls":4},7]
[17514,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278260","CS(=N)(=O)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(CC3(F)F)C=O)c(c2)C#N)cc1","InChI=1S/C23H21F2N7O3S/c1-36(27,34)18-5-3-17(4-6-18)30-22-29-13-28-21(31-22)15-2-7-19(16(10-15)11-26)35-20-8-9-32(14-33)12-23(20,24)25/h2-7,10,13-14,20,27H,8-9,12H2,1H3,(H,28,29,30,31)/t20-,36?/m0/s1","VBVBCPLRKQJABM-PIPNLDLUSA-N",null,5000,{"$nulls":4},7]
[17536,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM331153","c1[nH]c2ncccc2c1-c1cccc2cnccc12","InChI=1S/C16H11N3/c1-3-11-9-17-8-6-12(11)13(4-1)15-10-19-16-14(15)5-2-7-18-16/h1-10H,(H,18,19)","AIWIQFCKRNVZDW-UHFFFAOYSA-N",null,5500]
[17545,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277941","FC1(F)CN(CCC1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1ncc[nH]1",{"$nulls":3},6000,{"$nulls":4},7]
[17569,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278335","COCC(O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C32H37FN8O5/c1-44-19-27(42)31(43)41-9-8-29(26(33)16-41)46-28-7-2-21(14-22(28)15-34)30-35-20-36-32(38-30)37-23-3-5-24(6-4-23)39-10-12-40(13-11-39)25-17-45-18-25/h2-7,14,20,25-27,29,42H,8-13,16-19H2,1H3,(H,35,36,37,38)/t26-,27?,29+/m1/s1","BADBSLDAFQXVRZ-BASRVRKUSA-N",null,6000,{"$nulls":4},7]
[17570,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153752","O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)S\\C1=C/c1ccc2ncccc2c1","InChI=1S/C22H17N3OS/c26-21-20(12-14-8-9-18-16(11-14)7-4-10-23-18)27-22(25-21)24-19-13-17(19)15-5-2-1-3-6-15/h1-12,17,19H,13H2,(H,24,25,26)/b20-12-/t17-,19+/m0/s1","FITGAYHGSUWBQP-VBNMPBEYSA-N",null,6090]
[17593,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278316","CCOc1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)C3CCC(=O)N3)c(c2)C#N)cn1","InChI=1S/C27H27FN8O4/c1-2-39-24-8-4-18(13-30-24)33-27-32-15-31-25(35-27)16-3-6-21(17(11-16)12-29)40-22-9-10-36(14-19(22)28)26(38)20-5-7-23(37)34-20/h3-4,6,8,11,13,15,19-20,22H,2,5,7,9-10,14H2,1H3,(H,34,37)(H,31,32,33,35)/t19-,20?,22+/m1/s1","HPLAJCJEPOOJCG-OBIJOXKXSA-N",null,7000,{"$nulls":4},7]
[17603,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278003","C[C@H](O)C(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCO[C@@H](CO)C2)n1","InChI=1S/C29H33N7O5/c1-19(38)28(39)35-10-8-24(9-11-35)41-26-7-2-20(14-21(26)15-30)27-31-18-32-29(34-27)33-22-3-5-23(6-4-22)36-12-13-40-25(16-36)17-37/h2-7,14,18-19,24-25,37-38H,8-13,16-17H2,1H3,(H,31,32,33,34)/t19-,25+/m0/s1","ONAUYOQFBMXAJV-UQBPGWFLSA-N",null,8000,{"$nulls":4},7]
[17625,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278346","CCn1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@H](C)O)c(c2)C#N)c(C)n1","InChI=1S/C24H27FN8O3/c1-4-33-12-19(14(2)31-33)29-24-28-13-27-22(30-24)16-5-6-20(17(9-16)10-26)36-21-7-8-32(11-18(21)25)23(35)15(3)34/h5-6,9,12-13,15,18,21,34H,4,7-8,11H2,1-3H3,(H,27,28,29,30)/t15-,18+,21-/m0/s1","WTTGENWPXJVKQI-KLHJMIIUSA-N",null,9000,{"$nulls":4},7]
[17636,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50135286","Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F","InChI=1S/C22H15F2N5O3S/c1-29-20-13(9-19(21(29)30)33(31,32)18-5-2-14(23)10-16(18)24)11-26-22(28-20)27-15-3-4-17-12(8-15)6-7-25-17/h2-11,25H,1H3,(H,26,27,28)","ZEHBZHZMQSHZFI-UHFFFAOYSA-N",null,">10000"]
[17657,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","IKK epsilon/TBK1","Homo sapiens","BDM50520163","Cc1noc(n1)-c1ccc2nc(Nc3cc(ccn3)C(=O)N3CCN(CC3)C(=O)CC(F)(F)F)[nH]c2c1","InChI=1S/C23H21F3N8O3/c1-13-28-20(37-32-13)14-2-3-16-17(10-14)30-22(29-16)31-18-11-15(4-5-27-18)21(36)34-8-6-33(7-9-34)19(35)12-23(24,25)26/h2-5,10-11H,6-9,12H2,1H3,(H2,27,29,30,31)","GVIREMXPPOOMKA-UHFFFAOYSA-N",null,">10000"]
[17669,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277880","OCC(=O)N1CC2CC(Oc3ccc(cc3C#N)-c3ncnc(Nc4ccc(cc4)N4CCN(CC4)C4COC4)n3)C1C2","InChI=1S/C31H34N8O4/c32-14-22-13-21(1-6-27(22)43-28-12-20-11-26(28)39(15-20)29(41)16-40)30-33-19-34-31(36-30)35-23-2-4-24(5-3-23)37-7-9-38(10-8-37)25-17-42-18-25/h1-6,13,19-20,25-26,28,40H,7-12,15-18H2,(H,33,34,35,36)","UTNHVNLRKRTNPX-UHFFFAOYSA-N",null,11000,{"$nulls":4},7]
[17686,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277863","NC(=O)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@@H]3CCN(C3)C(=O)CO)c(c2)C#N)cc1","InChI=1S/C23H21N7O4/c24-10-16-9-15(3-6-19(16)34-18-7-8-30(11-18)20(32)12-31)22-26-13-27-23(29-22)28-17-4-1-14(2-5-17)21(25)33/h1-6,9,13,18,31H,7-8,11-12H2,(H2,25,33)(H,26,27,28,29)/t18-/m1/s1","MBYYLRDCKQHUGM-GOSISDBHSA-N",null,13000,{"$nulls":4},7]
[17705,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277900","COC1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C30H35N7O3/c1-38-26-7-9-27(10-8-26)40-28-11-2-21(16-22(28)17-31)29-32-20-33-30(35-29)34-23-3-5-24(6-4-23)36-12-14-37(15-13-36)25-18-39-19-25/h2-6,11,16,20,25-27H,7-10,12-15,18-19H2,1H3,(H,32,33,34,35)","FARBLOKAGKHLAV-UHFFFAOYSA-N",null,15000,{"$nulls":4},7]
[17719,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277894","FC1(F)CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)C1CCC(=O)N1","InChI=1S/C33H35F2N9O4/c34-33(35)19-44(31(46)26-6-8-29(45)40-26)10-9-28(33)48-27-7-1-21(15-22(27)16-36)30-37-20-38-32(41-30)39-23-2-4-24(5-3-23)42-11-13-43(14-12-42)25-17-47-18-25/h1-5,7,15,20,25-26,28H,6,8-14,17-19H2,(H,40,45)(H,37,38,39,41)/t26?,28-/m0/s1","DERUAVKPXVIDJF-RXBHZZDJSA-N",null,2]
[17737,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277973","OCC(=O)N1C[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C(F)(F)C1","InChI=1S/C29H30F2N8O4/c30-29(31)17-39(26(41)14-40)13-25(29)43-24-6-1-19(11-20(24)12-32)27-33-18-34-28(36-27)35-21-2-4-22(5-3-21)37-7-9-38(10-8-37)23-15-42-16-23/h1-6,11,18,23,25,40H,7-10,13-17H2,(H,33,34,35,36)/t25-/m0/s1","QNPFHFYMWAWHNQ-VWLOTQADSA-N",null,2]
[17752,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478789","O=C(C1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cc(ncn3)N3CCCCC3)c2)CC1","InChI=1S/C30H35N9O/c40-29(22-4-5-22)39-14-12-37(13-15-39)19-21-8-9-31-27(16-21)36-30-34-24-7-6-23(17-26(24)35-30)25-18-28(33-20-32-25)38-10-2-1-3-11-38/h6-9,16-18,20,22H,1-5,10-15,19H2,(H2,31,34,35,36)","MEJLAGMGAFQELF-UHFFFAOYSA-N",null,2.1]
[17769,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278137","C[C@H](O)C(=O)N1CCCC(CC1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C32H38N8O4/c1-22(41)31(42)40-11-2-3-28(10-12-40)44-29-9-4-23(17-24(29)18-33)30-34-21-35-32(37-30)36-25-5-7-26(8-6-25)38-13-15-39(16-14-38)27-19-43-20-27/h4-9,17,21-22,27-28,41H,2-3,10-16,19-20H2,1H3,(H,34,35,36,37)/t22-,28?/m0/s1","KFWQNIISZYDVJT-XYXHBKGXSA-N",null,17000,{"$nulls":4},7]
[17785,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM3169","Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCCN)c3ccccc23)c2ccccc12","InChI=1S/C25H24N4O2/c1-28-14-18(16-8-2-4-10-20(16)28)22-23(25(31)27-24(22)30)19-15-29(13-7-6-12-26)21-11-5-3-9-17(19)21/h2-5,8-11,14-15H,6-7,12-13,26H2,1H3,(H,27,30,31)","SSAOZDCFQCAHNO-UHFFFAOYSA-N",null,">2.0e+4"]
[17802,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569896","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(O4)C(C)(C)CO)cc3F)c12",{"$nulls":3},">20000"]
[17817,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569832","CC(C)C1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(c34)C(F)(F)F)c(F)c2)=NC1",{"$nulls":3},">20000"]
[17819,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569834","OCC1COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(c34)C(F)(F)F)c(F)c2)=N1",{"$nulls":3},">20000"]
[17849,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569958","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NC[C@@](F)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
[17852,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569961","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC5(CC5)CO4)cc3F)c12","InChI=1S/C29H25F2N5O3/c1-16(2)38-23-4-3-17(9-18(23)12-32)20-13-34-27-25(20)24(5-8-33-27)39-26-21(30)10-19(11-22(26)31)36-28-35-14-29(6-7-29)15-37-28/h3-5,8-11,13,16H,6-7,14-15H2,1-2H3,(H,33,34)(H,35,36)","XXEMVDXNIHRGPG-UHFFFAOYSA-N",null,">20000"]
[17869,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569850","CN1CCC(=CC1)c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
[17882,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569863","CC(C)n1ccc(n1)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
[17902,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570011","CN(C)C(=O)c1ccccc1-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
[17913,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570022","OCC1(F)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5cc(F)cc(F)c5)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
[17935,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569919","CC1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5ccccc5C#N)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
[17952,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569936","CC1N=C(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5ccc(cc5C)C#N)c34)c(F)c2)OCC1CO",{"$nulls":3},">20000"]
[17962,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570036","CC1(C)CCN=C(Nc2cc(F)c(Oc3ccnc4[nH]cc(Cl)c34)c(F)c2)N1","InChI=1S/C19H18ClF2N5O/c1-19(2)4-6-24-18(27-19)26-10-7-12(21)16(13(22)8-10)28-14-3-5-23-17-15(14)11(20)9-25-17/h3,5,7-9H,4,6H2,1-2H3,(H,23,25)(H2,24,26,27)","SXKIASDBILNDEL-UHFFFAOYSA-N",null,">20000"]
[17985,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570059","CC1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(c34)C3(CC3)C(F)(F)F)c(F)c2)=NC1",{"$nulls":3},">20000"]
[17993,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569978","OCC1(F)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(CCC(F)(F)F)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
[18018,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570003","CC(C)C1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(CCCC#N)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
[18035,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278236","CC(C)(C)n1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CCO)c(c2)C#N)cn1","InChI=1S/C25H29FN8O3/c1-25(2,3)34-13-18(12-30-34)31-24-29-15-28-23(32-24)16-4-5-20(17(10-16)11-27)37-21-6-8-33(14-19(21)26)22(36)7-9-35/h4-5,10,12-13,15,19,21,35H,6-9,14H2,1-3H3,(H,28,29,31,32)/t19-,21+/m1/s1","VRYICCMNURPSDI-CTNGQTDRSA-N",null,23000,{"$nulls":4},7]
[18042,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277866","CC(O)C(=O)N1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C30H34N8O4/c1-20(39)29(40)38-9-8-26(16-38)42-27-7-2-21(14-22(27)15-31)28-32-19-33-30(35-28)34-23-3-5-24(6-4-23)36-10-12-37(13-11-36)25-17-41-18-25/h2-7,14,19-20,25-26,39H,8-13,16-18H2,1H3,(H,32,33,34,35)/t20?,26-/m1/s1","VHRGHGDLSYNJGT-NBXNUCLWSA-N",null,26000,{"$nulls":4},7]
[18068,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","IKK epsilon/TBK1","Homo sapiens","BDM50520154","FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3nc(no3)C3CC3)c2)CC1","InChI=1S/C25H25F3N8O2/c26-25(27,28)13-21(37)36-9-7-35(8-10-36)14-15-5-6-29-20(11-15)32-24-30-18-4-3-17(12-19(18)31-24)23-33-22(34-38-23)16-1-2-16/h3-6,11-12,16H,1-2,7-10,13-14H2,(H2,29,30,31,32)","NLHGPDUHURNAHF-UHFFFAOYSA-N",null,">30000"]
[18073,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277960","C[C@@H](O)C(=O)N1CC[C@@H](C[C@@H]1C)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C32H38N8O4/c1-21-15-28(9-10-40(21)31(42)22(2)41)44-29-8-3-23(16-24(29)17-33)30-34-20-35-32(37-30)36-25-4-6-26(7-5-25)38-11-13-39(14-12-38)27-18-43-19-27/h3-8,16,20-22,27-28,41H,9-15,18-19H2,1-2H3,(H,34,35,36,37)/t21-,22+,28-/m0/s1","WXHYZVLRPXCVBN-TYPXCFOJSA-N",null,32000,{"$nulls":4},7]
[18085,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278231","FC(F)n1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCNC[C@H]3F)c(c2)C#N)cn1","InChI=1S/C19H17F3N8O/c20-14-8-24-4-3-16(14)31-15-2-1-11(5-12(15)6-23)17-25-10-26-19(29-17)28-13-7-27-30(9-13)18(21)22/h1-2,5,7,9-10,14,16,18,24H,3-4,8H2,(H,25,26,28,29)/t14-,16+/m1/s1","CIKDZQBTQZZADZ-ZBFHGGJFSA-N",null,39000,{"$nulls":4},7]
[18105,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478673","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)c4ccc(F)c(F)c4)ccn3)[nH]c2c1","InChI=1S/C26H24F2N8O/c1-16-30-25(37-34-16)18-2-5-22-23(13-18)32-26(31-22)33-24-12-17(6-7-29-24)15-35-8-10-36(11-9-35)19-3-4-20(27)21(28)14-19/h2-7,12-14H,8-11,15H2,1H3,(H2,29,31,32,33)","GLWBIGUISWVVDZ-UHFFFAOYSA-N",null,">57000"]
[18118,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277862","CC(C)NC(=O)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@@H]3CCNC3)c(c2)C#N)cc1","InChI=1S/C24H25N7O2/c1-15(2)29-23(32)16-3-6-19(7-4-16)30-24-28-14-27-22(31-24)17-5-8-21(18(11-17)12-25)33-20-9-10-26-13-20/h3-8,11,14-15,20,26H,9-10,13H2,1-2H3,(H,29,32)(H,27,28,30,31)/t20-/m1/s1","IFIYTVUHPORWKB-HXUWFJFHSA-N",null,72000,{"$nulls":4},7]
[18135,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278064","CC(C)[C@H](Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(N)=O","InChI=1S/C28H32N8O3/c1-18(2)25(26(30)37)39-24-8-3-19(13-20(24)14-29)27-31-17-32-28(34-27)33-21-4-6-22(7-5-21)35-9-11-36(12-10-35)23-15-38-16-23/h3-8,13,17-18,23,25H,9-12,15-16H2,1-2H3,(H2,30,37)(H,31,32,33,34)/t25-/m0/s1","ZPXLMPJUMHHLKC-VWLOTQADSA-N",null,94000,{"$nulls":4},7]
[18153,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277889","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C1COC1","InChI=1S/C31H35FN8O3/c32-27-15-40(26-18-42-19-26)8-7-29(27)43-28-6-1-21(13-22(28)14-33)30-34-20-35-31(37-30)36-23-2-4-24(5-3-23)38-9-11-39(12-10-38)25-16-41-17-25/h1-6,13,20,25-27,29H,7-12,15-19H2,(H,34,35,36,37)/t27-,29+/m1/s1","JBPMTDZMVNGIAJ-PXJZQJOASA-N",null,146000,{"$nulls":4},7]
[18168,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277907","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)C1CCCCN1","InChI=1S/C34H40FN9O3/c35-28-19-44(33(45)29-3-1-2-11-37-29)12-10-31(28)47-30-9-4-23(17-24(30)18-36)32-38-22-39-34(41-32)40-25-5-7-26(8-6-25)42-13-15-43(16-14-42)27-20-46-21-27/h4-9,17,22,27-29,31,37H,1-3,10-16,19-21H2,(H,38,39,40,41)/t28-,29?,31+/m1/s1","HRRTZVXYVHXWKO-YJOOZIDKSA-N",null,334000,{"$nulls":4},7]
[18185,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278386","O=C1CN(CCOc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)CCN1","InChI=1S/C29H33N9O3/c30-16-22-15-21(1-6-26(22)41-14-13-36-8-7-31-27(39)17-36)28-32-20-33-29(35-28)34-23-2-4-24(5-3-23)37-9-11-38(12-10-37)25-18-40-19-25/h1-6,15,20,25H,7-14,17-19H2,(H,31,39)(H,32,33,34,35)","AMPDQMWGWGCUOS-UHFFFAOYSA-N",null,662000,{"$nulls":4},7]
[18201,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM485824","CN(CCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1I)C(=O)C1CCC1","InChI=1S/C52H72IN9O9S/c1-35-45(72-34-57-35)37-15-13-36(14-16-37)30-55-48(65)43-29-40(63)32-62(43)50(67)46(52(2,3)4)59-44(64)33-70-27-9-25-68-23-6-7-24-69-26-10-28-71-41-19-17-39(18-20-41)58-51-56-31-42(53)47(60-51)54-21-22-61(5)49(66)38-11-8-12-38/h13-20,31,34,38,40,43,46,63H,6-12,21-30,32-33H2,1-5H3,(H,55,65)(H,59,64)(H2,54,56,58,60)/t40-,43+,46-/m1/s1","YBFBUZSEMDFXJF-PPZGWQTASA-N",null,null,4]
[18218,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50132260","Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F","InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)","GFMMXOIFOQCCGU-UHFFFAOYSA-N",null,null,">10000"]
[18233,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379350","COc1ccc(cc1)-c1nc2ncc(Br)c(NCC3CCNCC3)c2[nH]1","InChI=1S/C19H22BrN5O/c1-26-14-4-2-13(3-5-14)18-24-17-16(15(20)11-23-19(17)25-18)22-10-12-6-8-21-9-7-12/h2-5,11-12,21H,6-10H2,1H3,(H2,22,23,24,25)","WOTWXKACTZFRQE-UHFFFAOYSA-N",{"$nulls":3},111]
[18251,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50459896","CN(CCCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1C1CC1)C(=O)C1CCC1","InChI=1S/C56H79N9O9S/c1-38-49(75-37-60-38)41-16-14-39(15-17-41)33-58-52(68)47-32-44(66)35-65(47)54(70)50(56(2,3)4)62-48(67)36-73-30-10-28-71-26-6-7-27-72-29-11-31-74-45-22-20-43(21-23-45)61-55-59-34-46(40-18-19-40)51(63-55)57-24-9-25-64(5)53(69)42-12-8-13-42/h14-17,20-23,34,37,40,42,44,47,50,66H,6-13,18-19,24-33,35-36H2,1-5H3,(H,58,68)(H,62,67)(H2,57,59,61,63)/t44-,47+,50-/m1/s1","BBLUCKCGFGRHBM-PNADFZFASA-N",null,null,245]
[18265,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50516171","Cc1nn(CC(F)(F)F)cc1Nc1ncc(Br)c(NCc2ccc(cc2)S(N)(=O)=O)n1","InChI=1S/C17H17BrF3N7O2S/c1-10-14(8-28(27-10)9-17(19,20)21)25-16-24-7-13(18)15(26-16)23-6-11-2-4-12(5-3-11)31(22,29)30/h2-5,7-8H,6,9H2,1H3,(H2,22,29,30)(H2,23,24,25,26)","FFPHMUIGESPOTK-UHFFFAOYSA-N",null,null,20]
[18284,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478732","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(-c4cnn(CC5CC5)c4)c(F)c3[nH]2)c1",{"$nulls":3},2.5]
[18301,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277031","N#Cc1cc(ccc1OC1CCOCC1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C30H27N5O4/c31-16-21-13-19(1-3-27(21)38-23-5-9-36-10-6-23)26-15-25-29(33-18-34-30(25)35-26)20-2-4-28(22(14-20)17-32)39-24-7-11-37-12-8-24/h1-4,13-15,18,23-24H,5-12H2,(H,33,34,35)","YDRISZZAAFDOPR-UHFFFAOYSA-N",null,2.84,{"$nulls":4},7]
[18313,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278317","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3cccc(CN4CCOCC4)c3)n2)[C@H](F)C1","InChI=1S/C29H32FN7O4/c1-19(38)28(39)37-8-7-26(24(30)17-37)41-25-6-5-21(14-22(25)15-31)27-32-18-33-29(35-27)34-23-4-2-3-20(13-23)16-36-9-11-40-12-10-36/h2-6,13-14,18-19,24,26,38H,7-12,16-17H2,1H3,(H,32,33,34,35)/t19-,24+,26-/m0/s1","OCMXFNGLZPKTFI-LNXUECGXSA-N",null,3]
[18318,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50509049","CCn1nc(C)cc1C(=O)\\N=c1/[nH]c2cc(ccc2n1CCCCn1c2ccc(cc2[nH]\\c1=N/C(=O)c1cc(C)nn1CC)C(N)=O)C(N)=O","InChI=1S/C34H38N12O4/c1-5-45-27(15-19(3)41-45)31(49)39-33-37-23-17-21(29(35)47)9-11-25(23)43(33)13-7-8-14-44-26-12-10-22(30(36)48)18-24(26)38-34(44)40-32(50)28-16-20(4)42-46(28)6-2/h9-12,15-18H,5-8,13-14H2,1-4H3,(H2,35,47)(H2,36,48)(H,37,39,49)(H,38,40,50)","ICZSAXDKFXTSGL-UHFFFAOYSA-N",{"$nulls":3},53900]
[18345,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM26300","CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1","InChI=1S/C26H30FN7O3/c1-2-34(10-11-35)9-4-12-37-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(36)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17,35H,2,4,9-12,15H2,1H3,(H,30,36)(H2,28,29,31,32,33)","QYZOGCMHVIGURT-UHFFFAOYSA-N",null,null,">10000"]
[18351,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM24773","CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12","InChI=1S/C22H23N5O/c1-22(2)14-26-19-12-16(5-6-18(19)22)27-21(28)17-4-3-9-24-20(17)25-13-15-7-10-23-11-8-15/h3-12,26H,13-14H2,1-2H3,(H,24,25)(H,27,28)","RAHBGWKEPAQNFF-UHFFFAOYSA-N",null,null,">10000"]
[18377,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM25118","CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O","InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29)","PIQCTGMSNWUMAF-UHFFFAOYSA-N",null,null,130]
[18384,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM25617","CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F","InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)","YZDJQTHVDDOVHR-UHFFFAOYSA-N",null,null,">10000"]
[18401,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278124","Cc1nn(C)c2cc(Nc3ncnc(n3)-c3ccc(O[C@H]4CCN(C[C@H]4F)C(=O)CO)c(c3)C#N)ccc12","InChI=1S/C26H25FN8O3/c1-15-19-5-4-18(10-21(19)34(2)33-15)31-26-30-14-29-25(32-26)16-3-6-22(17(9-16)11-28)38-23-7-8-35(12-20(23)27)24(37)13-36/h3-6,9-10,14,20,23,36H,7-8,12-13H2,1-2H3,(H,29,30,31,32)/t20-,23+/m1/s1","KNCDEVRJJHZTFP-OFNKIYASSA-N",null,3]
[18425,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278219","Cn1cc(nn1)C(=O)N1C[C@@H](F)[C@@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C(C)(C)C1","InChI=1S/C34H38FN11O3/c1-34(2)20-46(32(47)28-17-43(3)42-41-28)16-27(35)30(34)49-29-9-4-22(14-23(29)15-36)31-37-21-38-33(40-31)39-24-5-7-25(8-6-24)44-10-12-45(13-11-44)26-18-48-19-26/h4-9,14,17,21,26-27,30H,10-13,16,18-20H2,1-3H3,(H,37,38,39,40)/t27-,30-/m1/s1","LDSIOVBYKHXKIK-POURPWNDSA-N",null,3]
[18434,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278255","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1cocn1","InChI=1S/C32H32FN9O4/c33-26-15-42(31(43)27-18-45-20-37-27)8-7-29(26)46-28-6-1-21(13-22(28)14-34)30-35-19-36-32(39-30)38-23-2-4-24(5-3-23)40-9-11-41(12-10-40)25-16-44-17-25/h1-6,13,18-20,25-26,29H,7-12,15-17H2,(H,35,36,38,39)/t26-,29+/m1/s1","DBCOIMLDAUYRMG-UHSQPCAPSA-N",null,3]
[18456,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDM5445","CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1","InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)","BCFGMOOMADDAQU-UHFFFAOYSA-N",null,null,">10000"]
[18467,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDM50242737","Cc1[nH]c(\\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1","InChI=1S/C32H34Cl2N4O4S/c1-19-29(35-20(2)30(19)32(40)38-14-6-7-21(38)17-37-12-3-4-13-37)16-24-23-15-22(10-11-28(23)36-31(24)39)43(41,42)18-25-26(33)8-5-9-27(25)34/h5,8-11,15-16,21,35H,3-4,6-7,12-14,17-18H2,1-2H3,(H,36,39)/b24-16-/t21-/m1/s1","OYONTEXKYJZFHA-SSHUPFPWSA-N",null,null,">10000"]
[18484,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDM36409","CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12","InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)","MFAQYJIYDMLAIM-UHFFFAOYSA-N",null,null,">10000"]
[18490,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDM21079","Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1","InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)","MPVGZUGXCQEXTM-UHFFFAOYSA-N",null,null,">10000"]
[18517,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50014744","C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)C(O)=O","InChI=1S/C19H28N4O7/c1-10(15(25)19(29)30)20-17(27)14-7-5-9-23(14)18(28)11(2)21-16(26)13-6-4-8-22(13)12(3)24/h10-11,13-14H,4-9H2,1-3H3,(H,20,27)(H,21,26)(H,29,30)/t10-,11-,13-,14-/m0/s1","ZMIWAKUMMBGJMQ-IMIFBBOLSA-N",690]
[18521,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50014733","CCOC(=O)C(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)OC)C(C)C","InChI=1S/C25H38F2N4O9/c1-7-40-24(38)25(26,27)20(34)19(13(2)3)30-22(36)16-9-8-12-31(16)23(37)15(5)29-21(35)14(4)28-17(32)10-11-18(33)39-6/h13-16,19H,7-12H2,1-6H3,(H,28,32)(H,29,35)(H,30,36)/t14-,15-,16-,19-/m0/s1","YSTCCBDGZQEDDG-FPXQBCRKSA-N",9900]
[18550,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50015857","CC(=O)OCC1=C(N2[C@@H]([C@@H](OC(=O)Cc3ccccc3)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C","InChI=1S/C22H25NO9S/c1-13(24)30-11-15-12-33(28,29)20-18(31-16(25)10-14-8-6-5-7-9-14)19(26)23(20)17(15)21(27)32-22(2,3)4/h5-9,18,20H,10-12H2,1-4H3/t18-,20+/m0/s1","SSACDUNHDNYWAZ-AZUAARDMSA-N",null,20000]
[18553,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50284214","CC(=O)Oc1ccc2n(CCc3ccccc3)c3nc(=O)oc(O)c3c2c1","InChI=1S/C20H16N2O5/c1-12(23)26-14-7-8-16-15(11-14)17-18(21-20(25)27-19(17)24)22(16)10-9-13-5-3-2-4-6-13/h2-8,11,24H,9-10H2,1H3","GWAFSBDBGNULGN-UHFFFAOYSA-N",null,833000]
[18567,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Oryctolagus cuniculus","BDM50044991","CC(C)C1(O)[C@@H](OC(=O)c2ccc[nH]2)C2(O)[C@@]3(C)CC4(O)OC5([C@H](O)C(=C)CCC35O)C2(O)C14C","InChI=1S/C25H33NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-7,10,12,15,17,26-27,29-33H,3,8-9,11H2,1-2,4-5H3/t15-,17-,18+,19?,20?,21?,22?,23?,24?,25?/m1/s1","BPFNBBLVUYSFRK-MKKQGFNNSA-N",null,8.9]
[18584,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Oryctolagus cuniculus","BDM50016412","CO[C@@]12C[C@@]3(C)[C@]4(CC[C@H](C)[C@@H](O)[C@]4(O1)[C@]1(O)[C@@]3(O)[C@H](OC(=O)c3cccn3C)[C@](O)(C(C)C)[C@]21C)OC","InChI=1S/C28H41NO9/c1-15(2)25(32)20(37-19(31)17-10-9-13-29(17)6)26(33)21(4)14-24(36-8)22(25,5)28(26,34)27(38-24)18(30)16(3)11-12-23(21,27)35-7/h9-10,13,15-16,18,20,30,32-34H,11-12,14H2,1-8H3/t16-,18+,20+,21-,22+,23-,24-,25+,26+,27+,28+/m0/s1","QGEVIXWMOQEXMH-GDJRSOFZSA-N",null,1300]
[18601,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401918","CC(C)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C21H31N7O/c1-14(2)28-13-17(11-25-28)26-21-24-12-18(15-7-8-15)19(27-21)22-9-4-10-23-20(29)16-5-3-6-16/h11-16H,3-10H2,1-2H3,(H,23,29)(H2,22,24,26,27)","MLWMBKMQVQOSSC-UHFFFAOYSA-N",null,81]
[18617,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401901","CN1CCC(CC1)c1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C27H38N6O/c1-33-16-12-20(13-17-33)19-8-10-23(11-9-19)31-27-30-18-24(21-6-7-21)25(32-27)28-14-3-15-29-26(34)22-4-2-5-22/h8-11,18,20-22H,2-7,12-17H2,1H3,(H,29,34)(H2,28,30,31,32)","KDVSDCOOYFNFIM-UHFFFAOYSA-N",null,660]
[18633,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Sarcoplasmic/endoplasmic reticulum calcium ATPase 2","Rattus norvegicus","BDBM50527068","C\\C(O)=C1/C(=O)[C@@H]2[C@@H]3[C@@H](Cc4cccc5[nH]cc3c45)C(C)(C)N2C1=O","InChI=1S/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,16-17,21,23H,7H2,1-3H3/b14-9-/t12-,16+,17+/m1/s1","CNZIQHGDUXRUJS-PTNHGACKSA-N",null,90]
[18650,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","RyR1/FKBP12","Homo sapiens","BDBM50191278","Oc1c(Br)cc2CCNC(=O)CCc3ccc(Oc1c2)c(Br)c3","InChI=1S/C17H15Br2NO3/c18-12-7-10-1-3-14(12)23-15-9-11(8-13(19)17(15)22)5-6-20-16(21)4-2-10/h1,3,7-9,22H,2,4-6H2,(H,20,21)","JGORQZKQHPVGIP-UHFFFAOYSA-N",{"$nulls":3},10900]
[18667,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM50463483","O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12","InChI=1S/C26H29N5O2S/c32-24(31-26-30-23(17-34-26)22-16-29-25-21(22)7-2-10-28-25)15-19-4-1-6-20(14-19)33-13-3-5-18-8-11-27-12-9-18/h1-2,4,6-7,10,14,16-18,27H,3,5,8-9,11-13,15H2,(H,28,29)(H,30,31,32)","OKUPZBPYLVKVSU-UHFFFAOYSA-N",">2000"]
[18681,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478719","CC(N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N2CCC2)c1",{"$nulls":3}," 0.620"]
[18700,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478845","CC(N1CCN(CC1)C(=O)C1(C)CC1(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N2CCCC2)c1",{"$nulls":3}," 0.860"]
[18713,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478852","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N2CC(C2)C(F)(F)F)c1",{"$nulls":3}," 0.943"]
[18733,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM144164","O[C@H]1CC[C@@H](CC1)n1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1","InChI=1S/C25H28N6O3/c26-14-18-13-17(1-6-24(18)34-22-8-11-33-12-9-22)23-7-10-27-25(30-23)29-19-15-28-31(16-19)20-2-4-21(32)5-3-20/h1,6-7,10,13,15-16,20-22,32H,2-5,8-9,11-12H2,(H,27,29,30)/t20-,21-","ZXXUISVZQNQVSN-MEMLXQNLSA-N",null,3,{"$nulls":4},"07:05:00","30.00 C"]
[18750,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM277920","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1ncc[nH]1",{"$nulls":3}," 3.00"]
[18761,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278034","C[C@H]1CN(CCN1c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)c3cnc[nH]3)c(c2)C#N)cc1)C1COC1",{"$nulls":3}," 3.00"]
[18783,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM276928","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(nc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C28H27N5O3/c29-18-21-17-20(3-6-25(21)36-23-8-13-34-14-9-23)24-7-10-30-28-26(24)31-27(32-28)19-1-4-22(5-2-19)33-11-15-35-16-12-33/h1-7,10,17,23H,8-9,11-16H2,(H,30,31,32)","KHMATSWQFNOTBB-UHFFFAOYSA-N",null," 3.20"]
[18793,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478810","CC(C)Nc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C27H30F3N9O/c1-17(2)34-24-13-21(32-16-33-24)19-3-4-20-22(12-19)36-26(35-20)37-23-11-18(5-6-31-23)15-38-7-9-39(10-8-38)25(40)14-27(28,29)30/h3-6,11-13,16-17H,7-10,14-15H2,1-2H3,(H,32,33,34)(H2,31,35,36,37)","RBCXGKOXMCORIO-UHFFFAOYSA-N",null," 3.30"]
[18816,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM277056","FC(F)C(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(nc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C29H27F2N7O3/c30-26(31)29(39)38-9-7-22(8-10-38)41-23-6-3-19(15-20(23)16-32)24-25-28(34-17-33-24)36-27(35-25)18-1-4-21(5-2-18)37-11-13-40-14-12-37/h1-6,15,17,22,26H,7-14H2,(H,33,34,35,36)","NVGAMAVZPPGUDJ-UHFFFAOYSA-N",null," 3.63",{"$nulls":4},7]
[18825,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM277065","OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(nc12)-c1ccc(cc1)C1CCN(CC(F)(F)F)CC1","InChI=1S/C32H32F3N7O3/c33-32(34,35)18-41-11-7-21(8-12-41)20-1-3-22(4-2-20)30-39-29-28(37-19-38-31(29)40-30)23-5-6-26(24(15-23)16-36)45-25-9-13-42(14-10-25)27(44)17-43/h1-6,15,19,21,25,43H,7-14,17-18H2,(H,37,38,39,40)","MCVZGUNLGAFYGU-UHFFFAOYSA-N",null," 3.80",{"$nulls":4},7]
[18833,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM276900","N#Cc1nc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C28H27N5O3/c29-18-26-27(36-21-8-13-34-14-9-21)6-5-24(31-26)22-7-10-30-28-23(22)17-25(32-28)19-1-3-20(4-2-19)33-11-15-35-16-12-33/h1-7,10,17,21H,8-9,11-16H2,(H,30,32)","FYGHOLYLPHNURJ-UHFFFAOYSA-N",null," 3.89"]
[18850,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278267","COCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(C4CCN(C)CC4)c(C)c3)n2)[C@H](F)C1","InChI=1S/C31H36FN7O3/c1-20-14-24(5-6-25(20)21-8-11-38(2)12-9-21)36-31-35-19-34-30(37-31)22-4-7-27(23(15-22)16-33)42-28-10-13-39(17-26(28)32)29(40)18-41-3/h4-7,14-15,19,21,26,28H,8-13,17-18H2,1-3H3,(H,34,35,36,37)/t26-,28+/m1/s1","GDMLXKZMNHJKNI-IAPPQJPRSA-N",null," 4.00"]
[18873,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM277917","OCCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C31H35FN8O4/c32-26-17-40(29(42)8-14-41)9-7-28(26)44-27-6-1-21(15-22(27)16-33)30-34-20-35-31(37-30)36-23-2-4-24(5-3-23)38-10-12-39(13-11-38)25-18-43-19-25/h1-6,15,20,25-26,28,41H,7-14,17-19H2,(H,34,35,36,37)/t26-,28+/m1/s1","PVNQDDXPUOQARK-IAPPQJPRSA-N",null," 4.00"]
[18883,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM375594","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)Cc1cnn[nH]1",{"$nulls":3}," 4.00"]
[18905,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM375575","CN1CCC(CC1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCOC[C@H]3F)c(c2)C#N)cc1","InChI=1S/C27H29FN6O2/c1-34-11-8-19(9-12-34)18-2-5-22(6-3-18)32-27-31-17-30-26(33-27)20-4-7-24(21(14-20)15-29)36-25-10-13-35-16-23(25)28/h2-7,14,17,19,23,25H,8-13,16H2,1H3,(H,30,31,32,33)/t23-,25+/m1/s1","FKKXZTUVHWKAQM-NOZRDPDXSA-N",null," 4.00"]
[18916,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478809","CC(C)Nc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C29H37N9O2/c1-19(2)33-26-16-23(31-18-32-26)21-6-7-22-24(15-21)35-27(34-22)36-25-14-20(8-9-30-25)17-37-10-12-38(13-11-37)28(39)40-29(3,4)5/h6-9,14-16,18-19H,10-13,17H2,1-5H3,(H,31,32,33)(H2,30,34,35,36)","NEPAFONVQAJIIZ-UHFFFAOYSA-N",null," 4.20"]
[18933,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM276860","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CC2(COC2)C1","InChI=1S/C30H28N4O3/c31-15-22-13-21(3-6-28(22)37-24-8-11-35-12-9-24)25-7-10-32-29-26(25)14-27(33-29)20-1-4-23(5-2-20)34-16-30(17-34)18-36-19-30/h1-7,10,13-14,24H,8-9,11-12,16-19H2,(H,32,33)","FISLZZGDXCBTTQ-UHFFFAOYSA-N",null," 4.49"]
[18953,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM277007","OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1cccc(CN2CCOCC2)c1","InChI=1S/C31H32N6O4/c32-17-24-15-23(4-5-28(24)41-25-6-8-37(9-7-25)29(39)19-38)30-26-16-27(35-31(26)34-20-33-30)22-3-1-2-21(14-22)18-36-10-12-40-13-11-36/h1-5,14-16,20,25,38H,6-13,18-19H2,(H,33,34,35)","IAHBPEPPERDPHA-UHFFFAOYSA-N",null," 4.99"]
[18966,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM144219","FC(F)Cn1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1","InChI=1S/C21H20F2N6O2/c22-20(23)13-29-12-16(11-26-29)27-21-25-6-3-18(28-21)14-1-2-19(15(9-14)10-24)31-17-4-7-30-8-5-17/h1-3,6,9,11-12,17,20H,4-5,7-8,13H2,(H,25,27,28)","XBFXJAXJSWLRPR-UHFFFAOYSA-N",null,5,{"$nulls":4},"07:05:00","30.00 C"]
[18984,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278100","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1[nH]ncc1Cl",{"$nulls":3}," 5.00"]
[18999,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM276938","N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc2[nH]c(cc12)-c1ccc(Cn2ccnc2)cc1","InChI=1S/C28H24N6O2/c29-15-22-13-21(5-6-26(22)36-23-7-11-35-12-8-23)27-24-14-25(33-28(24)32-17-31-27)20-3-1-19(2-4-20)16-34-10-9-30-18-34/h1-6,9-10,13-14,17-18,23H,7-8,11-12,16H2,(H,31,32,33)","FVLDQJNJSJKSKE-UHFFFAOYSA-N",null," 5.13"]
[19016,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478478","COc1cncnc1-c1ccc2nc(Nc3cc(ccn3)[C@@H](C)N3CCN(CC3)C(=O)C3CC3)[nH]c2c1",{"$nulls":3}," 5.62"]
[19033,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478872","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(-c4cnn(CC5CCC5)c4)c(F)c3[nH]2)c1",{"$nulls":3}," 5.95"]
[19049,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM144209","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cn[nH]c2)n1","InChI=1S/C19H18N6O2/c20-10-14-9-13(1-2-18(14)27-16-4-7-26-8-5-16)17-3-6-21-19(25-17)24-15-11-22-23-12-15/h1-3,6,9,11-12,16H,4-5,7-8H2,(H,22,23)(H,21,24,25)","SBZFMUSXXCQCBH-UHFFFAOYSA-N",null,6,{"$nulls":4},"07:05:00","30.00 C"]
[19064,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM277918","OC1(CC1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C32H35FN8O4/c33-26-17-41(30(42)32(43)8-9-32)10-7-28(26)45-27-6-1-21(15-22(27)16-34)29-35-20-36-31(38-29)37-23-2-4-24(5-3-23)39-11-13-40(14-12-39)25-18-44-19-25/h1-6,15,20,25-26,28,43H,7-14,17-19H2,(H,35,36,37,38)/t26-,28+/m1/s1","IALKHRKJWQJJJS-IAPPQJPRSA-N",null," 6.00"]
[19066,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM375301","O[S@]1CC[C@@H](CC1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H32N7O3S/c29-16-21-15-20(1-6-26(21)38-25-7-13-39(36)14-8-25)27-30-19-31-28(33-27)32-22-2-4-23(5-3-22)34-9-11-35(12-10-34)24-17-37-18-24/h1-6,15,19,24-25,36H,7-14,17-18H2,(H,30,31,32,33)","UFWLFDZJNONARW-UHFFFAOYSA-N",null," 6.00"]
[19096,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM276994","NC(=O)c1cccc(c1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C25H21N5O3/c26-13-18-11-16(4-5-22(18)33-19-6-8-32-9-7-19)23-20-12-21(30-25(20)29-14-28-23)15-2-1-3-17(10-15)24(27)31/h1-5,10-12,14,19H,6-9H2,(H2,27,31)(H,28,29,30)","IVNHCMJOZZBIAP-UHFFFAOYSA-N",null," 6.40"]
[19099,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478548","FC(F)(F)Cn1cc(cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C26H27F3N8O/c27-26(28,29)16-37-15-20(13-31-37)19-3-4-21-22(12-19)33-25(32-21)34-23-11-17(5-6-30-23)14-35-7-9-36(10-8-35)24(38)18-1-2-18/h3-6,11-13,15,18H,1-2,7-10,14,16H2,(H2,30,32,33,34)","WTVSICVNPAMCAI-UHFFFAOYSA-N",null," 6.44"]
[19116,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278316","CCOc1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)C3CCC(=O)N3)c(c2)C#N)cn1","InChI=1S/C27H27FN8O4/c1-2-39-24-8-4-18(13-30-24)33-27-32-15-31-25(35-27)16-3-6-21(17(11-16)12-29)40-22-9-10-36(14-19(22)28)26(38)20-5-7-23(37)34-20/h3-4,6,8,11,13,15,19-20,22H,2,5,7,9-10,14H2,1H3,(H,34,37)(H,31,32,33,35)/t19-,20?,22+/m1/s1","HPLAJCJEPOOJCG-OBIJOXKXSA-N",null," 7.00"]
[19129,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM277784","CC1(COc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)COC1","InChI=1S/C28H31N7O3/c1-28(16-37-17-28)18-38-25-7-2-20(12-21(25)13-29)26-30-19-31-27(33-26)32-22-3-5-23(6-4-22)34-8-10-35(11-9-34)24-14-36-15-24/h2-7,12,19,24H,8-11,14-18H2,1H3,(H,30,31,32,33)","MGMFZNVCWYILKV-UHFFFAOYSA-N",null," 7.00"]
[19149,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478829","CCOc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C26H27F3N8O2/c1-2-39-23-13-20(31-16-32-23)18-3-4-19-21(12-18)34-25(33-19)35-22-11-17(5-6-30-22)15-36-7-9-37(10-8-36)24(38)14-26(27,28)29/h3-6,11-13,16H,2,7-10,14-15H2,1H3,(H2,30,33,34,35)","JFWLHTPLBVCFEL-UHFFFAOYSA-N",null," 7.70"]
[19161,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM397777","C[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2CO)cn1)C(=O)N(C)CC(F)F","InChI=1S/C21H23F2N7O3/c1-11(21(33)30(2)9-18(22)23)28-15-4-12(6-25-16(15)5-24)17-7-27-19(8-26-17)29-20(32)14-3-13(14)10-31/h4,6-8,11,13-14,18,28,31H,3,9-10H2,1-2H3,(H,27,29,32)/t11-,13?,14?/m0/s1","LAUKGDDXUMWGGX-XGNXJENSSA-N",null," 7.94"]
[19182,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM50401901","CN1CCC(CC1)c1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C27H38N6O/c1-33-16-12-20(13-17-33)19-8-10-23(11-9-19)31-27-30-18-24(21-6-7-21)25(32-27)28-14-3-15-29-26(34)22-4-2-5-22/h8-11,18,20-22H,2-7,12-17H2,1H3,(H,29,34)(H2,28,30,31,32)","KDVSDCOOYFNFIM-UHFFFAOYSA-N",null,8]
[19199,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478480","COc1cncnc1-c1ccc2nc(Nc3cc(ccn3)[C@@H](C)N3CCN(CC3)C(=O)C3CCC3)[nH]c2c1",{"$nulls":3}," 8.38"]
[19209,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478819","CN(C1CC1)c1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C28H30F3N9O/c1-38(20-3-4-20)25-14-22(33-17-34-25)19-2-5-21-23(13-19)36-27(35-21)37-24-12-18(6-7-32-24)16-39-8-10-40(11-9-39)26(41)15-28(29,30)31/h2,5-7,12-14,17,20H,3-4,8-11,15-16H2,1H3,(H2,32,35,36,37)","XJNCCKMPQCZFJI-UHFFFAOYSA-N",null," 8.90"]
[19232,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM277982","C[C@@H]1C[C@@H](O)CN1c1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H32N8O2/c1-19-12-25(37)15-36(19)26-7-2-20(13-21(26)14-29)27-30-18-31-28(33-27)32-22-3-5-23(6-4-22)34-8-10-35(11-9-34)24-16-38-17-24/h2-7,13,18-19,24-25,37H,8-12,15-17H2,1H3,(H,30,31,32,33)/t19-,25-/m1/s1","IYOHUZINNTYJDG-KBMIEXCESA-N",null,1000]
[19241,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM277929","OCC(=O)N1CCC(Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C(F)(F)C1","InChI=1S/C30H32F2N8O4/c31-30(32)18-40(27(42)15-41)8-7-26(30)44-25-6-1-20(13-21(25)14-33)28-34-19-35-29(37-28)36-22-2-4-23(5-3-22)38-9-11-39(12-10-38)24-16-43-17-24/h1-6,13,19,24,26,41H,7-12,15-18H2,(H,34,35,36,37)","RBTZIYDJVWQOAH-UHFFFAOYSA-N",null,1000]
[19265,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278304","Cc1n[nH]c(C(=O)N2CC[C@H](Oc3ccc(cc3C#N)-c3ncnc(Nc4ccc(cc4)N4CCN(CC4)C4COC4)n3)[C@H](F)C2)c1C",{"$nulls":3}," 9.00"]
[19273,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM50401912","O=C(NCCCNc1nc(Nc2cnn(CCN3CCOCC3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H36N8O2/c33-23(19-3-1-4-19)26-8-2-7-25-22-21(18-5-6-18)16-27-24(30-22)29-20-15-28-32(17-20)10-9-31-11-13-34-14-12-31/h15-19H,1-14H2,(H,26,33)(H2,25,27,29,30)","OOXCKYWNRURMMA-UHFFFAOYSA-N",null,9]
[19298,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM50520152","CNc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C25H26F3N9O/c1-29-21-12-19(31-15-32-21)17-2-3-18-20(11-17)34-24(33-18)35-22-10-16(4-5-30-22)14-36-6-8-37(9-7-36)23(38)13-25(26,27)28/h2-5,10-12,15H,6-9,13-14H2,1H3,(H,29,31,32)(H2,30,33,34,35)","XJXPKTHMXWGQPH-UHFFFAOYSA-N",null," 9.60"]
[19315,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478834","COc1cnccc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4(CC4)C(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C28H28F3N7O2/c1-40-23-16-32-8-5-20(23)19-2-3-21-22(15-19)35-26(34-21)36-24-14-18(4-9-33-24)17-37-10-12-38(13-11-37)25(39)27(6-7-27)28(29,30)31/h2-5,8-9,14-16H,6-7,10-13,17H2,1H3,(H2,33,34,35,36)","UQTHYNAHUQUIGR-UHFFFAOYSA-N",null," 10.00"]
[19321,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM50536675","FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1","InChI=1S/C26H26F3N5O2S/c27-26(28,29)17-31-25(35)23-12-19(16-37-23)22-14-32-34-15-20(13-30-24(22)34)18-4-6-21(7-5-18)36-11-10-33-8-2-1-3-9-33/h4-7,12-16H,1-3,8-11,17H2,(H,31,35)","QNABDSWBQJKBHK-UHFFFAOYSA-N",null,"<10.0"]
[19332,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM276884","N#Cc1cc(ccc1CN1CCOCC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C29H29N5O2/c30-19-24-17-22(1-2-23(24)20-33-9-13-35-14-10-33)26-7-8-31-29-27(26)18-28(32-29)21-3-5-25(6-4-21)34-11-15-36-16-12-34/h1-8,17-18H,9-16,20H2,(H,31,32)","HHQNUTHBVPEMMS-UHFFFAOYSA-N",null," 10.5"]
[19353,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278209","C[C@H](O)C(=O)N1C[C@@H](C)[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C(F)(F)C1","InChI=1S/C32H36F2N8O4/c1-20-15-42(30(44)21(2)43)18-32(33,34)28(20)46-27-8-3-22(13-23(27)14-35)29-36-19-37-31(39-29)38-24-4-6-25(7-5-24)40-9-11-41(12-10-40)26-16-45-17-26/h3-8,13,19-21,26,28,43H,9-12,15-18H2,1-2H3,(H,36,37,38,39)/t20-,21+,28+/m1/s1","NMHKYUDKFDDYKJ-GGJMMHKRSA-N",null," 11.0"]
[19365,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478409","CCOc1nccc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CCC4)ccn3)[nH]c2c1","InChI=1S/C28H32N8O2/c1-2-38-28-30-11-9-22(33-28)21-6-7-23-24(17-21)32-27(31-23)34-25-16-19(8-10-29-25)18-35-12-14-36(15-13-35)26(37)20-4-3-5-20/h6-11,16-17,20H,2-5,12-15,18H2,1H3,(H2,29,31,32,34)","ONLLNFCNWQMMCQ-UHFFFAOYSA-N",null," 11.6"]
[19382,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278046","Fc1cc(Nc2ncnc(n2)-c2ccc(OC3CCS(=O)(=O)CC3)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C28H30FN7O4S/c29-24-14-21(2-3-25(24)36-9-7-35(8-10-36)22-16-39-17-22)33-28-32-18-31-27(34-28)19-1-4-26(20(13-19)15-30)40-23-5-11-41(37,38)12-6-23/h1-4,13-14,18,22-23H,5-12,16-17H2,(H,31,32,33,34)","STIJHLIPJPNQJV-UHFFFAOYSA-N",null," 12.0"]
[19401,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM397681","C[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)CC#N","InChI=1S/C20H20N8O2/c1-12(20(30)28(2)6-5-21)26-15-7-14(9-23-16(15)8-22)17-10-25-18(11-24-17)27-19(29)13-3-4-13/h7,9-13,26H,3-4,6H2,1-2H3,(H,25,27,29)/t12-/m0/s1","PMXOTQLXGJYJTC-LBPRGKRZSA-N",null," 12.6"]
[19415,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478787","CC(C)(C)OC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cc(ncn3)N3CCCCC3)c2)CC1","InChI=1S/C31H39N9O2/c1-31(2,3)42-30(41)40-15-13-38(14-16-40)20-22-9-10-32-27(17-22)37-29-35-24-8-7-23(18-26(24)36-29)25-19-28(34-21-33-25)39-11-5-4-6-12-39/h7-10,17-19,21H,4-6,11-16,20H2,1-3H3,(H2,32,35,36,37)","WRRASDLMBBIVHV-UHFFFAOYSA-N",null," 13.0"]
[19433,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM144192","OCc1ccc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)nc1","InChI=1S/C23H22N4O3/c24-13-19-11-17(2-3-21(19)30-20-6-9-29-10-7-20)18-5-8-25-23(12-18)27-22-4-1-16(15-28)14-26-22/h1-5,8,11-12,14,20,28H,6-7,9-10,15H2,(H,25,26,27)","SPZBXBBBJTWZTI-UHFFFAOYSA-N",null,14,{"$nulls":4},"07:05:00","30.00 C"]
[19448,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478410","CCOc1nccc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC4CC4)ccn3)[nH]c2c1","InChI=1S/C28H32N8O2/c1-2-38-28-30-10-8-22(33-28)21-5-6-23-24(17-21)32-27(31-23)34-25-15-20(7-9-29-25)18-35-11-13-36(14-12-35)26(37)16-19-3-4-19/h5-10,15,17,19H,2-4,11-14,16,18H2,1H3,(H2,29,31,32,34)","CFEXEXRUNLLLMU-UHFFFAOYSA-N",null," 14.1"]
[19465,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM245964","F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccnc(c2)N2CCOCC2)n1","InChI=1S/C23H23FN8O/c24-18-3-6-32(15-18)22-16(13-25)11-17(14-28-22)20-2-5-27-23(30-20)29-19-1-4-26-21(12-19)31-7-9-33-10-8-31/h1-2,4-5,11-12,14,18H,3,6-10,15H2,(H,26,27,29,30)/t18-/m0/s1","NYMUSZKMHTWPPV-SFHVURJKSA-N",null,"<15",{"$nulls":4},"07:05:00"]
[19481,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM245931","CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnc(N3CCCC3)c(c2)C#N)cn1","InChI=1S/C24H27N9/c1-31-10-12-32(13-11-31)22-5-4-20(17-27-22)29-24-26-7-6-21(30-24)19-14-18(15-25)23(28-16-19)33-8-2-3-9-33/h4-7,14,16-17H,2-3,8-13H2,1H3,(H,26,29,30)","HGMQENWFUFHYOD-UHFFFAOYSA-N",null,"<15",{"$nulls":4},"07:05:00"]
[19498,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM277946","C[C@@H]1C[C@H](CCN1C(=O)CO)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C31H36N8O4/c1-21-14-27(8-9-39(21)29(41)17-40)43-28-7-2-22(15-23(28)16-32)30-33-20-34-31(36-30)35-24-3-5-25(6-4-24)37-10-12-38(13-11-37)26-18-42-19-26/h2-7,15,20-21,26-27,40H,8-14,17-19H2,1H3,(H,33,34,35,36)/t21-,27+/m1/s1","YLMVQBQUDMREPQ-ZBLYBZFDSA-N",null," 15.0"]
[19512,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM397672","CC(Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)CC(F)(F)F","InChI=1S/C20H20F3N7O2/c1-11(19(32)30(2)10-20(21,22)23)28-14-5-13(7-25-15(14)6-24)16-8-27-17(9-26-16)29-18(31)12-3-4-12/h5,7-9,11-12,28H,3-4,10H2,1-2H3,(H,27,29,31)","CEPHVHPRBXXPBN-UHFFFAOYSA-N",null," 15.8"]
[19531,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM277934","C[C@H](O)C(=O)N1CC[C@@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C(F)(F)C1","InChI=1S/C31H34F2N8O4/c1-20(42)29(43)41-9-8-27(31(32,33)18-41)45-26-7-2-21(14-22(26)15-34)28-35-19-36-30(38-28)37-23-3-5-24(6-4-23)39-10-12-40(13-11-39)25-16-44-17-25/h2-7,14,19-20,25,27,42H,8-13,16-18H2,1H3,(H,35,36,37,38)/t20-,27+/m0/s1","YSIJLTHURUGKOW-CCLHPLFOSA-N",null," 16.0"]
[19544,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM276894","N#Cc1cc(ccc1OCC1CC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C28H26N4O2/c29-17-22-15-21(5-8-27(22)34-18-19-1-2-19)24-9-10-30-28-25(24)16-26(31-28)20-3-6-23(7-4-20)32-11-13-33-14-12-32/h3-10,15-16,19H,1-2,11-14,18H2,(H,30,31)","MFXFIHHJKXXHQH-UHFFFAOYSA-N",null," 16.8",{"$nulls":4},7]
[19564,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM50379355","COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CC3)c2[nH]1","InChI=1S/C20H22BrN5O2/c1-28-14-7-5-12(6-8-14)18-25-17-16(15(21)11-24-19(17)26-18)22-9-2-10-23-20(27)13-3-4-13/h5-8,11,13H,2-4,9-10H2,1H3,(H,23,27)(H2,22,24,25,26)","GFHRPONHRZBFNC-UHFFFAOYSA-N",null,18]
[19565,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478833","COc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C26H28N8O2/c1-36-24-14-21(28-16-29-24)19-4-5-20-22(13-19)31-26(30-20)32-23-12-17(6-7-27-23)15-33-8-10-34(11-9-33)25(35)18-2-3-18/h4-7,12-14,16,18H,2-3,8-11,15H2,1H3,(H2,27,30,31,32)","KYNRVYYSUJVHHD-UHFFFAOYSA-N",null," 18.0"]
[19592,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM276845","FC(F)CN1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C30H29F2N5O2/c31-29(32)19-36-10-8-24(18-36)39-28-6-3-21(15-22(28)17-33)25-7-9-34-30-26(25)16-27(35-30)20-1-4-23(5-2-20)37-11-13-38-14-12-37/h1-7,9,15-16,24,29H,8,10-14,18-19H2,(H,34,35)/t24-/m1/s1","VBYXRFYRNBJBAJ-XMMPIXPASA-N",null," 19.1"]
[19598,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478554","COc1c(Cl)ncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C25H24ClF3N8O2/c1-39-22-21(31-14-32-23(22)26)16-2-3-17-18(11-16)34-24(33-17)35-19-10-15(4-5-30-19)13-36-6-8-37(9-7-36)20(38)12-25(27,28)29/h2-5,10-11,14H,6-9,12-13H2,1H3,(H2,30,33,34,35)","LGZWNHCSSVNUKP-UHFFFAOYSA-N",null," 19.7"]
[19624,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478643","CC(O)c1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1",{"$nulls":3}," 21.0"]
[19631,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM375300","O=S1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H31N7O3S/c29-16-21-15-20(1-6-26(21)38-25-7-13-39(36)14-8-25)27-30-19-31-28(33-27)32-22-2-4-23(5-3-22)34-9-11-35(12-10-34)24-17-37-18-24/h1-6,15,19,24-25H,7-14,17-18H2,(H,30,31,32,33)","KVIOQEZGURPUCC-UHFFFAOYSA-N",null," 21.0"]
[19648,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478296","COc1cnccc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CCC4)ccn3)[nH]c2c1","InChI=1S/C28H31N7O2/c1-37-25-17-29-9-8-22(25)21-5-6-23-24(16-21)32-28(31-23)33-26-15-19(7-10-30-26)18-34-11-13-35(14-12-34)27(36)20-3-2-4-20/h5-10,15-17,20H,2-4,11-14,18H2,1H3,(H2,30,31,32,33)","WVLCKMJSIKJSIT-UHFFFAOYSA-N",null," 22.4"]
[19672,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278269","N#Cc1cc(ccc1OCC1(COC1)C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H28N8O3/c29-12-21-11-20(1-6-25(21)39-18-28(15-30)16-38-17-28)26-31-19-32-27(34-26)33-22-2-4-23(5-3-22)35-7-9-36(10-8-35)24-13-37-14-24/h1-6,11,19,24H,7-10,13-14,16-18H2,(H,31,32,33,34)","UYDVHXQLLJQDMQ-UHFFFAOYSA-N",null," 25.0"]
[19681,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM397760","C[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)C","InChI=1S/C19H21N7O2/c1-11(19(28)26(2)3)24-14-6-13(8-21-15(14)7-20)16-9-23-17(10-22-16)25-18(27)12-4-5-12/h6,8-12,24H,4-5H2,1-3H3,(H,23,25,27)/t11-/m0/s1","FVYYHMCSFFZPKR-NSHDSACASA-N",null," 25.1"]
[19704,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478433","C[C@H](N1CCN(CC1)C(=O)C1CCC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(C)ncn2)c1",{"$nulls":3}," 27.5"]
[19714,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478293","COc1cnccc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C28H33N7O3/c1-28(2,3)38-27(36)35-13-11-34(12-14-35)18-19-7-10-30-25(15-19)33-26-31-22-6-5-20(16-23(22)32-26)21-8-9-29-17-24(21)37-4/h5-10,15-17H,11-14,18H2,1-4H3,(H2,30,31,32,33)","UDJMJMBTUAQGKI-UHFFFAOYSA-N",null," 28.5"]
[19731,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM245950","CC(C)(O)CNc1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1","InChI=1S/C23H25FN8O/c1-23(2,33)14-29-20-4-3-18(12-27-20)30-22-26-7-5-19(31-22)16-9-15(10-25)21(28-11-16)32-8-6-17(24)13-32/h3-5,7,9,11-12,17,33H,6,8,13-14H2,1-2H3,(H,27,29)(H,26,30,31)/t17-/m0/s1","GVEBDZPIKSWGAG-KRWDZBQOSA-N",null,"<30",{"$nulls":4},"07:05:00"]
[19737,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM246004","CN(CCO)c1cc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)ccn1","InChI=1S/C22H23FN8O/c1-30(8-9-32)20-11-18(2-5-25-20)28-22-26-6-3-19(29-22)16-10-15(12-24)21(27-13-16)31-7-4-17(23)14-31/h2-3,5-6,10-11,13,17,32H,4,7-9,14H2,1H3,(H,25,26,28,29)/t17-/m0/s1","DTVMGWZBDSGYJR-KRWDZBQOSA-N",null,"<30",{"$nulls":4},"07:05:00"]
[19764,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM276958","COc1cc(ccc1N1CCN(CC1)C(=O)CO)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C31H32N6O5/c1-40-28-15-20(2-4-26(28)36-8-10-37(11-9-36)29(39)18-38)25-16-24-30(33-19-34-31(24)35-25)21-3-5-27(22(14-21)17-32)42-23-6-12-41-13-7-23/h2-5,14-16,19,23,38H,6-13,18H2,1H3,(H,33,34,35)","CRTQNZPWVJVSDE-UHFFFAOYSA-N",null," 1.09"]
[19769,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM276921","CN1CCN(CC1)c1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C28H29N7O2/c1-34-10-12-35(13-11-34)22-5-2-19(3-6-22)27-32-26-25(30-18-31-28(26)33-27)20-4-7-24(21(16-20)17-29)37-23-8-14-36-15-9-23/h2-7,16,18,23H,8-15H2,1H3,(H,30,31,32,33)","JQPQSEFPDRQHEC-UHFFFAOYSA-N",null," 1.14",{"$nulls":4},7]
[19797,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM276829","OCC(=O)N1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C30H29N5O4/c31-17-22-15-21(3-6-28(22)39-24-8-10-35(18-24)29(37)19-36)25-7-9-32-30-26(25)16-27(33-30)20-1-4-23(5-2-20)34-11-13-38-14-12-34/h1-7,9,15-16,24,36H,8,10-14,18-19H2,(H,32,33)/t24-/m1/s1","ZHQUWWWIBAHOPH-XMMPIXPASA-N",null," 1.34",{"$nulls":4},7]
[19801,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478593","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(-c4cnn(CC5CCC5)c4)c(Cl)c3[nH]2)c1",{"$nulls":3}," 1.40"]
[19814,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478475","COc1cncnc1-c1ccc2nc(Nc3cc(ccn3)[C@H](C)N3CCN(CC3)C(=O)CC(F)(F)F)[nH]c2c1",{"$nulls":3}," 30.0"]
[19831,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM148101","CN(C)CCN(C)c1ccc(Nc2nccc(n2)-c2ccc(N3CCCC3)c(c2)C#N)cn1","InChI=1S/C25H30N8/c1-31(2)14-15-32(3)24-9-7-21(18-28-24)29-25-27-11-10-22(30-25)19-6-8-23(20(16-19)17-26)33-12-4-5-13-33/h6-11,16,18H,4-5,12-15H2,1-3H3,(H,27,29,30)","BTUANDGZVRMZJE-UHFFFAOYSA-N",null,"<30",{"$nulls":4},"07:05:00"]
[19849,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM148133","Cn1cc(Nc2nccc(n2)-c2ccc(N3CC[C@H](O)C3)c(c2)C#N)cn1","InChI=1S/C19H19N7O/c1-25-11-15(10-22-25)23-19-21-6-4-17(24-19)13-2-3-18(14(8-13)9-20)26-7-5-16(27)12-26/h2-4,6,8,10-11,16,27H,5,7,12H2,1H3,(H,21,23,24)/t16-/m0/s1","FTRUCIDFCFXYAU-INIZCTEOSA-N",null,"<30",{"$nulls":4},"07:05:00"]
[19864,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM246078","O[C@H]1CCN(C1)c1ccc(nc1C#N)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1","InChI=1S/C24H26N8O2/c25-13-22-23(32-8-6-19(33)16-32)4-3-20(29-22)21-5-7-26-24(30-21)28-17-1-2-18(27-14-17)15-31-9-11-34-12-10-31/h1-5,7,14,19,33H,6,8-12,15-16H2,(H,26,28,30)/t19-/m0/s1","UMRGWFXBKZZEBK-IBGZPJMESA-N",null,"<30",{"$nulls":4},"07:05:00"]
[19881,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM276995","COc1cc(ccc1N1CCOCC1)-c1cc2c(c(F)cnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C30H29FN4O4/c1-36-28-15-19(2-4-26(28)35-8-12-38-13-9-35)25-16-23-29(24(31)18-33-30(23)34-25)20-3-5-27(21(14-20)17-32)39-22-6-10-37-11-7-22/h2-5,14-16,18,22H,6-13H2,1H3,(H,33,34)","BGAUWQRNGCAKTK-UHFFFAOYSA-N",null," 30.2",{"$nulls":4},7]
[19897,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM144212","NC(=O)c1ccc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)nc1","InChI=1S/C23H21N5O3/c24-13-18-11-15(1-3-20(18)31-19-6-9-30-10-7-19)16-5-8-26-22(12-16)28-21-4-2-17(14-27-21)23(25)29/h1-5,8,11-12,14,19H,6-7,9-10H2,(H2,25,29)(H,26,27,28)","QCTBKGPTHUVEKR-UHFFFAOYSA-N",null,32,{"$nulls":4},"07:05:00","30.00 C"]
[19914,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478348","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2nc(C)no2)c1",{"$nulls":3}," 33.0"]
[19929,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478918","CC(C)Nc1ncnc(-c2ccc3nc(Nc4cc(CN5CCN(CC5)C(=O)CC(F)(F)F)ccn4)[nH]c3c2)c1F","InChI=1S/C27H29F4N9O/c1-16(2)35-25-23(28)24(33-15-34-25)18-3-4-19-20(12-18)37-26(36-19)38-21-11-17(5-6-32-21)14-39-7-9-40(10-8-39)22(41)13-27(29,30)31/h3-6,11-12,15-16H,7-10,13-14H2,1-2H3,(H,33,34,35)(H2,32,36,37,38)","CHSJNKBKKUPDHB-UHFFFAOYSA-N",null," 34.6"]
[19947,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278350","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3scnc3CO)n2)[C@H](F)C1","InChI=1S/C22H22FN7O4S/c1-12(32)21(33)30-5-4-18(15(23)8-30)34-17-3-2-13(6-14(17)7-24)19-25-10-26-22(28-19)29-20-16(9-31)27-11-35-20/h2-3,6,10-12,15,18,31-32H,4-5,8-9H2,1H3,(H,25,26,28,29)/t12-,15+,18-/m0/s1","VFLKTHYBJXRFGI-PNPHSEOMSA-N",null," 36.0"]
[19961,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM277069","FC(F)(F)CN1CCC(CC1)c1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCNCC2)c(c1)C#N","InChI=1S/C30H30F3N7O/c31-30(32,33)17-40-13-9-20(10-14-40)19-1-3-21(4-2-19)28-38-27-26(36-18-37-29(27)39-28)22-5-6-25(23(15-22)16-34)41-24-7-11-35-12-8-24/h1-6,15,18,20,24,35H,7-14,17H2,(H,36,37,38,39)","VJMPKACKJOXZGT-UHFFFAOYSA-N",null," 37.1",{"$nulls":4},7]
[19980,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM397737","C[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)[C@H]2C[C@@H]2C)cn1)C(=O)N(C)C","InChI=1S/C20H23N7O2/c1-11-5-14(11)19(28)26-18-10-23-17(9-24-18)13-6-15(16(7-21)22-8-13)25-12(2)20(29)27(3)4/h6,8-12,14,25H,5H2,1-4H3,(H,24,26,28)/t11-,12-,14-/m0/s1","BTBWXCXEIUTBKY-OBJOEFQTSA-N",null," 39.8"]
[19992,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278206","CN(CCO)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C32H38FN9O4/c1-39(14-15-43)32(44)42-9-8-29(27(33)18-42)46-28-7-2-22(16-23(28)17-34)30-35-21-36-31(38-30)37-24-3-5-25(6-4-24)40-10-12-41(13-11-40)26-19-45-20-26/h2-7,16,21,26-27,29,43H,8-15,18-20H2,1H3,(H,35,36,37,38)/t27-,29+/m1/s1","LJZTWZJJLJMKAH-PXJZQJOASA-N",null," 41.0"]
[20013,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM153753","COc1cc[nH]c1\\C=C1/C(=O)Nc2ccc(F)c(C#C[C@H](O)[C@H](N)[C@H](C)O)c12",{"$nulls":3},44]
[20030,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM50448978","COc1ccc(cc1)-c1nc2ncc(C(N)=S)c(NCCCNC(=O)C3CCCC3)c2[nH]1","InChI=1S/C23H28N6O2S/c1-31-16-9-7-14(8-10-16)21-28-19-18(17(20(24)32)13-27-22(19)29-21)25-11-4-12-26-23(30)15-5-2-3-6-15/h7-10,13,15H,2-6,11-12H2,1H3,(H2,24,32)(H,26,30)(H2,25,27,28,29)","UOFZOMWGIVJIKW-UHFFFAOYSA-N",null,46]
[20040,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478457","COc1cncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)N4CCCCC4)ccn3)[nH]c2c1","InChI=1S/C28H33N9O2/c1-39-24-17-29-19-31-26(24)21-5-6-22-23(16-21)33-27(32-22)34-25-15-20(7-8-30-25)18-35-11-13-37(14-12-35)28(38)36-9-3-2-4-10-36/h5-8,15-17,19H,2-4,9-14,18H2,1H3,(H2,30,32,33,34)","GJGQKJWFSRSIAF-UHFFFAOYSA-N",null," 47.9"]
[20063,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478445","COc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C27H32N8O3/c1-27(2,3)38-26(36)35-11-9-34(10-12-35)16-18-7-8-28-23(13-18)33-25-31-20-6-5-19(14-22(20)32-25)21-15-24(37-4)30-17-29-21/h5-8,13-15,17H,9-12,16H2,1-4H3,(H2,28,31,32,33)","INLIZUNBQFWAFO-UHFFFAOYSA-N",null," 50.6"]
[20072,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM276849","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)C#CC1CCOCC1","InChI=1S/C26H25N3O3/c27-17-20-15-19(2-4-25(20)32-22-8-13-31-14-9-22)23-5-10-28-26-24(23)16-21(29-26)3-1-18-6-11-30-12-7-18/h2,4-5,10,15-16,18,22H,6-9,11-14H2,(H,28,29)","PNMCLCQZSVIVDN-UHFFFAOYSA-N",null," 52.8"]
[20080,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM50520160","Cc1cc(ccn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C26H26F3N7O/c1-17-12-20(5-7-30-17)19-2-3-21-22(14-19)33-25(32-21)34-23-13-18(4-6-31-23)16-35-8-10-36(11-9-35)24(37)15-26(27,28)29/h2-7,12-14H,8-11,15-16H2,1H3,(H2,31,32,33,34)","SINJOIVMLYFADD-UHFFFAOYSA-N",null,54]
[20097,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM50379350","COc1ccc(cc1)-c1nc2ncc(Br)c(NCC3CCNCC3)c2[nH]1","InChI=1S/C19H22BrN5O/c1-26-14-4-2-13(3-5-14)18-24-17-16(15(20)11-23-19(17)25-18)22-10-12-6-8-21-9-7-12/h2-5,11-12,21H,6-10H2,1H3,(H2,22,23,24,25)","WOTWXKACTZFRQE-UHFFFAOYSA-N",null,57]
[20120,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","IKK epsilon/TBK1","Homo sapiens","BDBM50520150","COCc1cc(ncn1)-c1ccc2nc(Nc3cc(ccn3)[C@@H](C)N3CCN(CC3)C(=O)CC(F)(F)F)[nH]c2c1","InChI=1S/C27H29F3N8O2/c1-17(37-7-9-38(10-8-37)25(39)14-27(28,29)30)18-5-6-31-24(12-18)36-26-34-21-4-3-19(11-23(21)35-26)22-13-20(15-40-2)32-16-33-22/h3-6,11-13,16-17H,7-10,14-15H2,1-2H3,(H2,31,34,35,36)/t17-/m1/s1","MZHPEELZCYWEHG-QGZVFWFLSA-N",null,63]
[20130,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM397751","CC[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)NCC(F)F","InChI=1S/C20H21F2N7O2/c1-2-13(20(31)27-9-17(21)22)28-14-5-12(7-24-15(14)6-23)16-8-26-18(10-25-16)29-19(30)11-3-4-11/h5,7-8,10-11,13,17,28H,2-4,9H2,1H3,(H,27,31)(H,26,29,30)/t13-/m0/s1","MVXAMJHOURIGHS-ZDUSSCGKSA-N",null," 63.1"]
[20152,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM209643","COCCn1cc(cn1)-c1cnc(N)c(c1)C(=O)Nc1ccncc1","InChI=1S/C17H18N6O2/c1-25-7-6-23-11-13(10-21-23)12-8-15(16(18)20-9-12)17(24)22-14-2-4-19-5-3-14/h2-5,8-11H,6-7H2,1H3,(H2,18,20)(H,19,22,24)","QKKSJPYVDJXBQN-UHFFFAOYSA-N",null,67,{"$nulls":4},"07:05:00","30.00 C"]
[20163,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM50379352","COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(C)=O)c2[nH]1","InChI=1S/C18H20BrN5O2/c1-11(25)20-8-3-9-21-15-14(19)10-22-18-16(15)23-17(24-18)12-4-6-13(26-2)7-5-12/h4-7,10H,3,8-9H2,1-2H3,(H,20,25)(H2,21,22,23,24)","CFBXWHPXNROFFK-UHFFFAOYSA-N",null,70]
[20180,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM277887","Cc1cc(ccc1Nc1ncnc(n1)-c1ccc(OC2CCOCC2)c(c1)C#N)N1CCOCC1","InChI=1S/C26H28N6O3/c1-18-14-21(32-8-12-34-13-9-32)3-4-23(18)30-26-29-17-28-25(31-26)19-2-5-24(20(15-19)16-27)35-22-6-10-33-11-7-22/h2-5,14-15,17,22H,6-13H2,1H3,(H,28,29,30,31)","JODDBCNNYDJFJQ-UHFFFAOYSA-N",null," 76.0"]
[20200,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM397759","CN(C)C(=O)C(CO)Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C19H21N7O3/c1-26(2)19(29)16(10-27)24-13-5-12(7-21-14(13)6-20)15-8-23-17(9-22-15)25-18(28)11-3-4-11/h5,7-9,11,16,24,27H,3-4,10H2,1-2H3,(H,23,25,28)","XFRQJABXRFJRKO-UHFFFAOYSA-N",null," 79.4"]
[20213,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM50448981","COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(=O)NCC(C)(C)C","InChI=1S/C23H24N4O2S/c1-23(2,3)13-25-22(28)19-10-16(12-30-19)15-9-18-21(24-11-15)27-20(26-18)14-5-7-17(29-4)8-6-14/h5-12H,13H2,1-4H3,(H,25,28)(H,24,26,27)","SMAIRFQFHKTXBK-UHFFFAOYSA-N",null,84]
[20232,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM27452","COc1cc2ncn(-c3cc(OCc4ccccc4S(C)(=O)=O)c(s3)C#N)c2cc1OC","InChI=1S/C22H19N3O5S2/c1-28-17-8-15-16(9-18(17)29-2)25(13-24-15)22-10-19(20(11-23)31-22)30-12-14-6-4-5-7-21(14)32(3,26)27/h4-10,13H,12H2,1-3H3","LDTAHRLHGHFHKP-UHFFFAOYSA-N",null,93]
[20246,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM144184","Cn1ccc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)n1","InChI=1S/C21H21N5O2/c1-26-9-5-20(25-26)24-21-13-16(4-8-23-21)15-2-3-19(17(12-15)14-22)28-18-6-10-27-11-7-18/h2-5,8-9,12-13,18H,6-7,10-11H2,1H3,(H,23,24,25)","UYIHWPCEDZKSLA-UHFFFAOYSA-N",null,97,{"$nulls":4},"07:05:00","30.00 C"]
[20264,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM246091","O=C(CN1CCOCC1)Nc1ccc(Nc2nccc(n2)-c2ccc(N3CCC4(COC4)C3)c(n2)C#N)cn1","InChI=1S/C27H29N9O3/c28-13-22-23(36-8-6-27(16-36)17-39-18-27)3-2-20(32-22)21-5-7-29-26(33-21)31-19-1-4-24(30-14-19)34-25(37)15-35-9-11-38-12-10-35/h1-5,7,14H,6,8-12,15-18H2,(H,29,31,33)(H,30,34,37)","URUVTYNFQAZEMS-UHFFFAOYSA-N",null,"<100",{"$nulls":4},"07:05:00"]
[20279,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM246007","CN(CCO)Cc1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1","InChI=1S/C23H25FN8O/c1-31(8-9-33)15-20-3-2-19(13-27-20)29-23-26-6-4-21(30-23)17-10-16(11-25)22(28-12-17)32-7-5-18(24)14-32/h2-4,6,10,12-13,18,33H,5,7-9,14-15H2,1H3,(H,26,29,30)/t18-/m0/s1","JOPZYMVVPBJUBQ-SFHVURJKSA-N",null,"<100",{"$nulls":4},"07:05:00"]
[20296,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM144129","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2ncc(cn2)C2CCNCC2)c1","InChI=1S/C26H28N6O2/c27-15-21-13-19(1-2-24(21)34-23-6-11-33-12-7-23)20-5-10-29-25(14-20)32-26-30-16-22(17-31-26)18-3-8-28-9-4-18/h1-2,5,10,13-14,16-18,23,28H,3-4,6-9,11-12H2,(H,29,30,31,32)","UDLCUPNAFTWKLG-UHFFFAOYSA-N",null,100,{"$nulls":4},"07:05:00","30.00 C"]
[20312,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM246051","CC(N)C(=O)Nc1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1","InChI=1S/C22H22FN9O/c1-13(25)21(33)31-19-3-2-17(11-27-19)29-22-26-6-4-18(30-22)15-8-14(9-24)20(28-10-15)32-7-5-16(23)12-32/h2-4,6,8,10-11,13,16H,5,7,12,25H2,1H3,(H,26,29,30)(H,27,31,33)/t13?,16-/m0/s1","GPDRDNWHAYFRDI-VYIIXAMBSA-N",null,"<100",{"$nulls":4},"07:05:00"]
[20313,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM246056","NC(=O)CC1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1","InChI=1S/C26H29N9O2/c27-13-19-12-20(14-31-25(19)35-6-4-18(16-35)11-24(28)36)23-3-5-29-26(33-23)32-21-1-2-22(30-15-21)17-34-7-9-37-10-8-34/h1-3,5,12,14-15,18H,4,6-11,16-17H2,(H2,28,36)(H,29,32,33)","QEPLYHPIGBPQHX-UHFFFAOYSA-N",null,"<100",{"$nulls":4},"07:05:00"]
[20329,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478495","CC(N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cnn(CC3CC3)c2)c1",{"$nulls":3}," 1.66"]
[20346,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM276999","OCC(=O)N1CCC(Oc2cnc(cc2C#N)-c2ccnc3[nH]c(cc23)-c2ccc(cc2)N2CCN(CC2)C2COC2)C(F)(F)C1","InChI=1S/C33H33F2N7O4/c34-33(35)20-42(31(44)17-43)8-6-30(33)46-29-16-38-28(13-22(29)15-36)25-5-7-37-32-26(25)14-27(39-32)21-1-3-23(4-2-21)40-9-11-41(12-10-40)24-18-45-19-24/h1-5,7,13-14,16,24,30,43H,6,8-12,17-20H2,(H,37,39)","DHXXPWJCLLMHRC-UHFFFAOYSA-N",null," 1.81"]
[20363,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278352","CC(C)n1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@@H](O)CO)c(c2)C#N)cn1","InChI=1S/C24H27FN8O4/c1-14(2)33-10-17(9-29-33)30-24-28-13-27-22(31-24)15-3-4-20(16(7-15)8-26)37-21-5-6-32(11-18(21)25)23(36)19(35)12-34/h3-4,7,9-10,13-14,18-19,21,34-35H,5-6,11-12H2,1-2H3,(H,27,28,30,31)/t18-,19+,21+/m1/s1","GXCCDZRRVFNQMR-DYXWJJEUSA-N",null," 2.00"]
[20377,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM570829","COc1cc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(c2)C#N)ncc1N1CCN(C)CC1","InChI=1S/C27H31N7O3/c1-33-7-9-34(10-8-33)23-17-29-27(15-25(23)35-2)32-26-14-22(30-18-31-26)19-3-4-24(20(13-19)16-28)37-21-5-11-36-12-6-21/h3-4,13-15,17-18,21H,5-12H2,1-2H3,(H,29,30,31,32)","WUUSTFCZHDYSJN-UHFFFAOYSA-N",null,"<100"]
[20396,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM570857","COc1nc(Nc2cc(ncn2)-c2ccc(O[C@@H]3CCN(CC3(F)F)C(=O)CO)c(c2)C#N)ccc1N1CCN(C)CC1","InChI=1S/C29H32F2N8O4/c1-37-9-11-38(12-10-37)22-4-6-25(36-28(22)42-2)35-26-14-21(33-18-34-26)19-3-5-23(20(13-19)15-32)43-24-7-8-39(27(41)16-40)17-29(24,30)31/h3-6,13-14,18,24,40H,7-12,16-17H2,1-2H3,(H,33,34,35,36)/t24-/m1/s1","PQVSMJOFKGJBCA-XMMPIXPASA-N",null,"<100"]
[20409,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM570866","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(CC3(F)F)C(=O)OC(C)(C)C)c(c2)C#N)ccc1N1CCN(C[C@H]1C)C1COC1","InChI=1S/C35H42F2N8O5/c1-22-17-43(25-18-48-19-25)12-13-45(22)27-7-9-30(42-32(27)47-5)41-31-15-26(39-21-40-31)23-6-8-28(24(14-23)16-38)49-29-10-11-44(20-35(29,36)37)33(46)50-34(2,3)4/h6-9,14-15,21-22,25,29H,10-13,17-20H2,1-5H3,(H,39,40,41,42)/t22-,29?/m1/s1","IFZAGDKGLFWMIY-DMDVIOLWSA-N",null,"<100"]
[20429,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM570886","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1C(=O)NC1CN2CCC1CC2","InChI=1S/C30H33N7O4/c1-39-30-23(29(38)34-25-17-37-10-6-19(25)7-11-37)3-5-27(36-30)35-28-15-24(32-18-33-28)20-2-4-26(21(14-20)16-31)41-22-8-12-40-13-9-22/h2-5,14-15,18-19,22,25H,6-13,17H2,1H3,(H,34,38)(H,32,33,35,36)","ZYQFADFVGCOMDN-UHFFFAOYSA-N",null,"<100"]
[20446,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM570795","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1C(=O)N(C)C","InChI=1S/C25H26N6O4/c1-31(2)25(32)19-5-7-22(30-24(19)33-3)29-23-13-20(27-15-28-23)16-4-6-21(17(12-16)14-26)35-18-8-10-34-11-9-18/h4-7,12-13,15,18H,8-11H2,1-3H3,(H,27,28,29,30)","MBTRZCCYKAACEG-UHFFFAOYSA-N",null,"<100"]
[20457,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM570809","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1N(C)CC(=O)N(C)C","InChI=1S/C27H31N7O4/c1-33(2)26(35)16-34(3)22-6-8-24(32-27(22)36-4)31-25-14-21(29-17-30-25)18-5-7-23(19(13-18)15-28)38-20-9-11-37-12-10-20/h5-8,13-14,17,20H,9-12,16H2,1-4H3,(H,29,30,31,32)","OQAPRARGPCAERS-UHFFFAOYSA-N",null,"<100"]
[20479,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM50379342","CNc1c(Br)cnc2nc([nH]c12)-c1ccc(OCCN2CCN(C)CC2)cc1","InChI=1S/C20H25BrN6O/c1-22-17-16(21)13-23-20-18(17)24-19(25-20)14-3-5-15(6-4-14)28-12-11-27-9-7-26(2)8-10-27/h3-6,13H,7-12H2,1-2H3,(H2,22,23,24,25)","BFGUPTUEOURPQN-UHFFFAOYSA-N",null,106]
[20489,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478418","CCc1nccc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C28H34N8O2/c1-5-24-29-11-9-21(31-24)20-6-7-22-23(17-20)33-26(32-22)34-25-16-19(8-10-30-25)18-35-12-14-36(15-13-35)27(37)38-28(2,3)4/h6-11,16-17H,5,12-15,18H2,1-4H3,(H2,30,32,33,34)","HKPFLEOOELRLIS-UHFFFAOYSA-N",null,111]
[20512,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478337","C[C@@H]1CN(CCN1Cc1ccnc(Nc2nc3ccc(cc3[nH]2)-c2nc(C)no2)c1)C(=O)OC(C)(C)C",{"$nulls":3},125]
[20520,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM397666","CCC(Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)CCO","InChI=1S/C21H25N7O3/c1-3-15(21(31)28(2)6-7-29)26-16-8-14(10-23-17(16)9-22)18-11-25-19(12-24-18)27-20(30)13-4-5-13/h8,10-13,15,26,29H,3-7H2,1-2H3,(H,25,27,30)","XGGHYTBLDKZVLP-UHFFFAOYSA-N",null,126]
[20545,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM50448982","COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(=O)NCCC(C)C","InChI=1S/C23H24N4O2S/c1-14(2)8-9-24-23(28)20-11-17(13-30-20)16-10-19-22(25-12-16)27-21(26-19)15-4-6-18(29-3)7-5-15/h4-7,10-14H,8-9H2,1-3H3,(H,24,28)(H,25,26,27)","TVWMRPWVPSKLOP-UHFFFAOYSA-N",null,143]
[20562,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM50379369","CNc1c(Br)cnc2nc([nH]c12)-c1ccc(OCCN2CCCCC2)cc1","InChI=1S/C20H24BrN5O/c1-22-17-16(21)13-23-20-18(17)24-19(25-20)14-5-7-15(8-6-14)27-12-11-26-9-3-2-4-10-26/h5-8,13H,2-4,9-12H2,1H3,(H2,22,23,24,25)","FEPKNBFNXRIIAB-UHFFFAOYSA-N",null,151]
[20568,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM397749","C[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)NC1CC1(F)F","InChI=1S/C20H19F2N7O2/c1-10(18(30)28-16-5-20(16,21)22)27-13-4-12(7-24-14(13)6-23)15-8-26-17(9-25-15)29-19(31)11-2-3-11/h4,7-11,16,27H,2-3,5H2,1H3,(H,28,30)(H,26,29,31)/t10-,16?/m0/s1","IJEQTULGFHUIBD-VQVVDHBBSA-N",null,158]
[20579,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM357869","CC(=O)N1CCC(CC1)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O","InChI=1S/C20H19N3O5/c1-10(24)23-6-4-11(5-7-23)12-2-3-16-13(8-12)17(25)14-9-15(20(26)27)18(21)22-19(14)28-16/h2-3,8-9,11H,4-7H2,1H3,(H2,21,22)(H,26,27)","JLEKSULAPAVAGH-UHFFFAOYSA-N",null,160]
[20600,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM50379341","CNc1c(Br)cnc2nc([nH]c12)-c1ccc(OCCN2CCOCC2)cc1","InChI=1S/C19H22BrN5O2/c1-21-16-15(20)12-22-19-17(16)23-18(24-19)13-2-4-14(5-3-13)27-11-8-25-6-9-26-10-7-25/h2-5,12H,6-11H2,1H3,(H2,21,22,23,24)","RGFQESUIRAABIE-UHFFFAOYSA-N",null,178]
[20612,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM209676","CC(=O)Nc1cc(NC(=O)c2cc(cnc2N)-c2ccc(CN3CCOCC3)s2)ccn1","InChI=1S/C22H24N6O3S/c1-14(29)26-20-11-16(4-5-24-20)27-22(30)18-10-15(12-25-21(18)23)19-3-2-17(32-19)13-28-6-8-31-9-7-28/h2-5,10-12H,6-9,13H2,1H3,(H2,23,25)(H2,24,26,27,29,30)","CYSDRDWNFDQHMX-UHFFFAOYSA-N",null,190,{"$nulls":4},"07:05:00","30.00 C"]
[20629,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM397640","C[C@H](Nc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N1CCC1","InChI=1S/C21H22N6O2/c1-13(21(29)27-7-2-8-27)25-17-9-15(5-6-16(17)10-22)18-11-24-19(12-23-18)26-20(28)14-3-4-14/h5-6,9,11-14,25H,2-4,7-8H2,1H3,(H,24,26,28)/t13-/m0/s1","JMZHYWXSWXWXMB-ZDUSSCGKSA-N",null,200]
[20648,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478908","Cc1cncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C26H28N8O/c1-17-14-27-16-29-24(17)20-4-5-21-22(13-20)31-26(30-21)32-23-12-18(6-7-28-23)15-33-8-10-34(11-9-33)25(35)19-2-3-19/h4-7,12-14,16,19H,2-3,8-11,15H2,1H3,(H2,28,30,31,32)","PKHLHUOMFQOVKM-UHFFFAOYSA-N",null,216]
[20662,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478888","CC(C)(C)OC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ccnc(n3)N3CCCC3)c2)CC1","InChI=1S/C30H37N9O2/c1-30(2,3)41-29(40)39-16-14-37(15-17-39)20-21-8-10-31-26(18-21)36-27-33-24-7-6-22(19-25(24)34-27)23-9-11-32-28(35-23)38-12-4-5-13-38/h6-11,18-19H,4-5,12-17,20H2,1-3H3,(H2,31,33,34,36)","WOBXVBRAHOBKQS-UHFFFAOYSA-N",null,227]
[20680,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM277888","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C1CCOC1","InChI=1S/C32H37FN8O3/c33-28-17-41(26-8-14-42-18-26)9-7-30(28)44-29-6-1-22(15-23(29)16-34)31-35-21-36-32(38-31)37-24-2-4-25(5-3-24)39-10-12-40(13-11-39)27-19-43-20-27/h1-6,15,21,26-28,30H,7-14,17-20H2,(H,35,36,37,38)/t26?,28-,30+/m1/s1","KZKVLYLDNIWFTA-ATKFOFSXSA-N",null,243]
[20695,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478565","COc1c(OCC2CC2)ncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C31H38N8O4/c1-31(2,3)43-30(40)39-13-11-38(12-14-39)17-21-9-10-32-25(15-21)37-29-35-23-8-7-22(16-24(23)36-29)26-27(41-4)28(34-19-33-26)42-18-20-5-6-20/h7-10,15-16,19-20H,5-6,11-14,17-18H2,1-4H3,(H2,32,35,36,37)","JAFBPAFGAODKRU-UHFFFAOYSA-N",null,255]
[20712,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478685","FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ncnc4sccc34)c2)CC1","InChI=1S/C26H23F3N8OS/c27-26(28,29)13-22(38)37-8-6-36(7-9-37)14-16-3-5-30-21(11-16)35-25-33-19-2-1-17(12-20(19)34-25)23-18-4-10-39-24(18)32-15-31-23/h1-5,10-12,15H,6-9,13-14H2,(H2,30,33,34,35)","HCDVXNLIIHDWBO-UHFFFAOYSA-N",null,270]
[20728,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM50085411","Oc1c(Cl)cc(\\C=C2/C(=O)Nc3ccc(cc23)C(=O)c2ccco2)cc1Cl","InChI=1S/C20H11Cl2NO4/c21-14-7-10(8-15(22)19(14)25)6-13-12-9-11(3-4-16(12)23-20(13)26)18(24)17-2-1-5-27-17/h1-9,25H,(H,23,26)/b13-6-","XKTUKRBLWOHYIL-MLPAPPSSSA-N",null,282]
[20745,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM148089","Cn1cnc(Nc2nccc(n2)-c2ccc(N3CCCC3)c(c2)C#N)c1","InChI=1S/C19H19N7/c1-25-12-18(22-13-25)24-19-21-7-6-16(23-19)14-4-5-17(15(10-14)11-20)26-8-2-3-9-26/h4-7,10,12-13H,2-3,8-9H2,1H3,(H,21,23,24)","KLNITVITXATEGG-UHFFFAOYSA-N",null,"<300",{"$nulls":4},"07:05:00"]
[20760,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM144150","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2nc(cs2)C2CC2)n1","InChI=1S/C22H21N5O2S/c23-12-16-11-15(3-4-20(16)29-17-6-9-28-10-7-17)18-5-8-24-21(25-18)27-22-26-19(13-30-22)14-1-2-14/h3-5,8,11,13-14,17H,1-2,6-7,9-10H2,(H,24,25,26,27)","IUSHILFEMDZEFI-UHFFFAOYSA-N",null,300,{"$nulls":4},"07:05:00","30.00 C"]
[20778,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM144148","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cncc(n2)N2CCOCC2)c1","InChI=1S/C25H26N6O3/c26-15-20-13-18(1-2-22(20)34-21-4-9-32-10-5-21)19-3-6-28-23(14-19)29-24-16-27-17-25(30-24)31-7-11-33-12-8-31/h1-3,6,13-14,16-17,21H,4-5,7-12H2,(H,28,29,30)","YSJYNAPMKLZIGV-UHFFFAOYSA-N",null,330,{"$nulls":4},"07:05:00","30.00 C"]
[20792,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM144165","OCc1nccnc1Nc1cc(ccn1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C22H21N5O3/c23-13-17-11-15(1-2-20(17)30-18-4-9-29-10-5-18)16-3-6-25-21(12-16)27-22-19(14-28)24-7-8-26-22/h1-3,6-8,11-12,18,28H,4-5,9-10,14H2,(H,25,26,27)","NBXRQAXVXWKQJZ-UHFFFAOYSA-N",null,350,{"$nulls":4},"07:05:00","30.00 C"]
[20811,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478514","Clc1ncc(cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C25H25ClN8O/c26-24-28-13-19(14-29-24)18-3-4-20-21(12-18)31-25(30-20)32-22-11-16(5-6-27-22)15-33-7-9-34(10-8-33)23(35)17-1-2-17/h3-6,11-14,17H,1-2,7-10,15H2,(H2,27,30,31,32)","JUZYVQTYLGHBML-UHFFFAOYSA-N",null,380]
[20812,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM144173","N#Cc1cc(ccc1OCC1CCC1)-c1ccnc(Nc2cn[nH]c2)c1","InChI=1S/C20H19N5O/c21-10-17-8-15(4-5-19(17)26-13-14-2-1-3-14)16-6-7-22-20(9-16)25-18-11-23-24-12-18/h4-9,11-12,14H,1-3,13H2,(H,22,25)(H,23,24)","RTLYKZQELDVJNY-UHFFFAOYSA-N",null,380,{"$nulls":4},"07:05:00","30.00 C"]
[20840,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM209689","Nc1ncc(cc1C(=O)Nc1ccncc1)-c1ccsc1","InChI=1S/C15H12N4OS/c16-14-13(15(20)19-12-1-4-17-5-2-12)7-11(8-18-14)10-3-6-21-9-10/h1-9H,(H2,16,18)(H,17,19,20)","BBJKFMYLMLVUDU-UHFFFAOYSA-N",null,410,{"$nulls":4},"07:05:00","30.00 C"]
[20845,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278213","O=C(N1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)c1nc(=O)[nH][nH]1","InChI=1S/C30H29N11O4/c31-14-20-13-19(1-6-25(20)45-24-7-8-41(15-24)28(42)27-36-30(43)38-37-27)26-32-18-33-29(35-26)34-21-2-4-22(5-3-21)39-9-11-40(12-10-39)23-16-44-17-23/h1-6,13,18,23-24H,7-12,15-17H2,(H,32,33,34,35)/t24-/m1/s1","YODVWFPMWKRQRF-XMMPIXPASA-N",null,411]
[20872,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278361","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CCO)CC3)n2)[C@H](F)C1","InChI=1S/C30H35FN8O4/c1-20(41)29(42)39-9-8-27(25(31)18-39)43-26-7-2-21(16-22(26)17-32)28-33-19-34-30(36-28)35-23-3-5-24(6-4-23)38-12-10-37(11-13-38)14-15-40/h2-7,16,19-20,25,27,40-41H,8-15,18H2,1H3,(H,33,34,35,36)/t20-,25+,27-/m0/s1","XNGKZCMFTYVTSV-FESMNKHTSA-N",null," 2.00"]
[20878,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM50520165","C[C@@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(OCC3CC3)ncn2)c1","InChI=1S/C29H31F3N8O2/c1-18(39-8-10-40(11-9-39)27(41)15-29(30,31)32)20-6-7-33-25(13-20)38-28-36-22-5-4-21(12-24(22)37-28)23-14-26(35-17-34-23)42-16-19-2-3-19/h4-7,12-14,17-19H,2-3,8-11,15-16H2,1H3,(H2,33,36,37,38)/t18-/m1/s1","FVHKTXLAWSFSNK-GOSISDBHSA-N",null," 2.0"]
[20895,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278016","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C31H35FN8O4/c1-20(41)30(42)40-9-8-28(26(32)16-40)44-27-7-2-21(14-22(27)15-33)29-34-19-35-31(37-29)36-23-3-5-24(6-4-23)38-10-12-39(13-11-38)25-17-43-18-25/h2-7,14,19-20,25-26,28,41H,8-13,16-18H2,1H3,(H,34,35,36,37)/t20-,26+,28-/m0/s1","SLSXOXVMJVWWMJ-GFNGZDJJSA-N",null," 2.00"]
[20920,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM144213","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(CCn3cccn3)c2)c1","InChI=1S/C25H25N7O2/c26-16-21-14-19(2-3-24(21)34-23-5-12-33-13-6-23)20-4-8-27-25(15-20)30-22-17-29-32(18-22)11-10-31-9-1-7-28-31/h1-4,7-9,14-15,17-18,23H,5-6,10-13H2,(H,27,30)","VWJJCQKYLQGLKH-UHFFFAOYSA-N",null,460,{"$nulls":4},"07:05:00","30.00 C"]
[20928,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM4552","COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl","InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)","UBPYILGKFZZVDX-UHFFFAOYSA-N",null,471]
[20937,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM357870","Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCN(CC1)C=O","InChI=1S/C19H17N3O5/c20-17-14(19(25)26)8-13-16(24)12-7-11(1-2-15(12)27-18(13)21-17)10-3-5-22(9-23)6-4-10/h1-2,7-10H,3-6H2,(H2,20,21)(H,25,26)","XPNDRKFLBNNMJB-UHFFFAOYSA-N",null,490]
[20961,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM10100","CN[C@H](CO)C#Cc1c2\\C(=C\\c3[nH]ccc3OC)C(=O)Nc2ccc1F","InChI=1S/C19H18FN3O3/c1-21-11(10-24)3-4-12-14(20)5-6-15-18(12)13(19(25)23-15)9-16-17(26-2)7-8-22-16/h5-9,11,21-22,24H,10H2,1-2H3,(H,23,25)/b13-9-/t11-/m0/s1","ZSPQUICTVOBVJJ-KWJWQAOWSA-N",null,526]
[20968,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM50469231","Nc1nc2oc3ccc(cc3c(=O)c2cc1-c1nn[nH]n1)N1CCOCC1","InChI=1S/C17H15N7O3/c18-15-12(16-20-22-23-21-16)8-11-14(25)10-7-9(24-3-5-26-6-4-24)1-2-13(10)27-17(11)19-15/h1-2,7-8H,3-6H2,(H2,18,19)(H,20,21,22,23)","IUYVWTVARMTLCH-UHFFFAOYSA-N",null,537]
[20994,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478502","CC(C)Cc1nc(-c2ccc3nc(Nc4cc(CN5CCN(CC5)C(=O)OC(C)(C)C)ccn4)[nH]c3c2)n(C)n1","InChI=1S/C29H39N9O2/c1-19(2)15-25-33-26(36(6)35-25)21-7-8-22-23(17-21)32-27(31-22)34-24-16-20(9-10-30-24)18-37-11-13-38(14-12-37)28(39)40-29(3,4)5/h7-10,16-17,19H,11-15,18H2,1-6H3,(H2,30,31,32,34)","CEUBLFDZKJMWLX-UHFFFAOYSA-N",null,577]
[21011,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM569879","OC[C@]1(F)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(c34)C(F)(F)F)c(F)c2)=NC1",{"$nulls":3},640]
[21016,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM50448989","COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(C)=O","InChI=1S/C19H15N3O2S/c1-11(23)17-8-14(10-25-17)13-7-16-19(20-9-13)22-18(21-16)12-3-5-15(24-2)6-4-12/h3-10H,1-2H3,(H,20,21,22)","GCGZPJLTXHNZIM-UHFFFAOYSA-N",null,650]
[21044,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM357886","CC1(C)CCC(=CC1)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O","InChI=1S/C21H20N2O4/c1-21(2)7-5-11(6-8-21)12-3-4-16-13(9-12)17(24)14-10-15(20(25)26)18(22)23-19(14)27-16/h3-5,9-10H,6-8H2,1-2H3,(H2,22,23)(H,25,26)","BRZUICWEJOOXOW-UHFFFAOYSA-N",null,740]
[21048,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM357895","Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1=CCC2(CC1)OCCO2","InChI=1S/C21H18N2O6/c22-18-15(20(25)26)10-14-17(24)13-9-12(1-2-16(13)29-19(14)23-18)11-3-5-21(6-4-11)27-7-8-28-21/h1-3,9-10H,4-8H2,(H2,22,23)(H,25,26)","OSKHCVGUWCGWIV-UHFFFAOYSA-N",null,750]
[21061,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM50469233","CC(=C)c1cc2c(cc1F)oc1nc(N)c(cc1c2=O)C(O)=O","InChI=1S/C16H11FN2O4/c1-6(2)7-3-8-12(5-11(7)17)23-15-9(13(8)20)4-10(16(21)22)14(18)19-15/h3-5H,1H2,2H3,(H2,18,19)(H,21,22)","YOPPJXMZCJKJEA-UHFFFAOYSA-N",null,794]
[21078,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM50448995","CNC(=O)c1cc(cs1)-c1cnc2nc([nH]c2c1)-c1ccc(OC)cc1","InChI=1S/C19H16N4O2S/c1-20-19(24)16-8-13(10-26-16)12-7-15-18(21-9-12)23-17(22-15)11-3-5-14(25-2)6-4-11/h3-10H,1-2H3,(H,20,24)(H,21,22,23)","HDMBYXMYCCLJOL-UHFFFAOYSA-N",null,851]
[21096,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM569844","CC1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(C#N)c34)c(F)c2)=NC1",{"$nulls":3},960]
[21111,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278015","OCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C30H33FN8O4/c31-25-15-39(28(41)16-40)8-7-27(25)43-26-6-1-20(13-21(26)14-32)29-33-19-34-30(36-29)35-22-2-4-23(5-3-22)37-9-11-38(12-10-37)24-17-42-18-24/h1-6,13,19,24-25,27,40H,7-12,15-18H2,(H,33,34,35,36)/t25-,27+/m1/s1","RRMXVDMTIFLZPK-VPUSJEBWSA-N",null,1000,{"$nulls":4},7]
[21128,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM246054","CC(=O)NCC1CCCN1c1ncc(cc1C#N)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1","InChI=1S/C27H31N9O2/c1-19(37)30-17-24-3-2-8-36(24)26-20(14-28)13-21(15-32-26)25-6-7-29-27(34-25)33-22-4-5-23(31-16-22)18-35-9-11-38-12-10-35/h4-7,13,15-16,24H,2-3,8-12,17-18H2,1H3,(H,30,37)(H,29,33,34)","FWKSFMRDEKRKQE-UHFFFAOYSA-N",null,"<1000",{"$nulls":4},"07:05:00"]
[21144,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM277794","OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C30H34N8O4/c31-16-22-15-21(1-6-27(22)42-26-7-9-38(10-8-26)28(40)17-39)29-32-20-33-30(35-29)34-23-2-4-24(5-3-23)36-11-13-37(14-12-36)25-18-41-19-25/h1-6,15,20,25-26,39H,7-14,17-19H2,(H,32,33,34,35)","YZAJAZDIKBMJNV-UHFFFAOYSA-N",null,1000,{"$nulls":4},7]
[21161,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM276903","N#Cc1cc(ccc1OCC1CC1)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C27H25N5O2/c28-15-21-13-20(5-8-25(21)34-16-18-1-2-18)26-23-14-24(31-27(23)30-17-29-26)19-3-6-22(7-4-19)32-9-11-33-12-10-32/h3-8,13-14,17-18H,1-2,9-12,16H2,(H,29,30,31)","CHFMPBBBXUENBW-UHFFFAOYSA-N",null,">1000"]
[21176,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM277054","CN1CCN(CC1)c1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)OC(C)(C)C)c(c1)C#N","InChI=1S/C33H38N8O3/c1-33(2,3)44-32(42)41-13-11-26(12-14-41)43-27-10-7-23(19-24(27)20-34)28-29-31(36-21-35-28)38-30(37-29)22-5-8-25(9-6-22)40-17-15-39(4)16-18-40/h5-10,19,21,26H,11-18H2,1-4H3,(H,35,36,37,38)","AHEIIGOOYVFVHZ-UHFFFAOYSA-N",null,1000]
[21194,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM276911","N#Cc1cc(ccc1OCC1CC1)-c1ncnc2[nH]c(nc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C26H24N6O2/c27-14-20-13-19(5-8-22(20)34-15-17-1-2-17)23-24-26(29-16-28-23)31-25(30-24)18-3-6-21(7-4-18)32-9-11-33-12-10-32/h3-8,13,16-17H,1-2,9-12,15H2,(H,28,29,30,31)","SHDZGHXBWLMOLJ-UHFFFAOYSA-N",null,">1000",{"$nulls":4},7]
[21208,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM50401933","Fc1cccc(Nc2ncc(CC3CC3)c(NCCCNC(=O)C3CCC3)n2)c1","InChI=1S/C22H28FN5O/c23-18-6-2-7-19(13-18)27-22-26-14-17(12-15-8-9-15)20(28-22)24-10-3-11-25-21(29)16-4-1-5-16/h2,6-7,13-16H,1,3-5,8-12H2,(H,25,29)(H2,24,26,27,28)","HYUKSMLKXIVLKF-UHFFFAOYSA-N",null,">1000"]
[21227,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM50520173","CN(C)c1ncnc(-c2ccc3nc(Nc4cc(CN5CCN(CC5)C(=O)CC(F)(F)F)ccn4)[nH]c3c2)c1Cl","InChI=1S/C26H27ClF3N9O/c1-37(2)24-22(27)23(32-15-33-24)17-3-4-18-19(12-17)35-25(34-18)36-20-11-16(5-6-31-20)14-38-7-9-39(10-8-38)21(40)13-26(28,29)30/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H2,31,34,35,36)","FNGNFKLDKUCGLD-UHFFFAOYSA-N",null,1140]
[21240,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM50520163","Cc1noc(n1)-c1ccc2nc(Nc3cc(ccn3)C(=O)N3CCN(CC3)C(=O)CC(F)(F)F)[nH]c2c1","InChI=1S/C23H21F3N8O3/c1-13-28-20(37-32-13)14-2-3-16-17(10-14)30-22(29-16)31-18-11-15(4-5-27-18)21(36)34-8-6-33(7-9-34)19(35)12-23(24,25)26/h2-5,10-11H,6-9,12H2,1H3,(H2,27,29,30,31)","GVIREMXPPOOMKA-UHFFFAOYSA-N",null,1210]
[21260,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM357922","CC(C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)-c1noc(=O)[nH]1","InChI=1S/C17H14N4O4/c1-7(2)8-3-4-12-9(5-8)13(22)10-6-11(14(18)19-16(10)24-12)15-20-17(23)25-21-15/h3-7H,1-2H3,(H2,18,19)(H,20,21,23)","UWDYDEQBLCMCPN-UHFFFAOYSA-N",null,1400]
[21277,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478670","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)c4ccc(cc4)C#N)ccn3)[nH]c2c1","InChI=1S/C27H25N9O/c1-18-30-26(37-34-18)21-4-7-23-24(15-21)32-27(31-23)33-25-14-20(8-9-29-25)17-35-10-12-36(13-11-35)22-5-2-19(16-28)3-6-22/h2-9,14-15H,10-13,17H2,1H3,(H2,29,31,32,33)","KFHKPFPKHFYDGS-UHFFFAOYSA-N",null,1500]
[21288,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM397661","C[C@@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)C","InChI=1S/C19H21N7O2/c1-11(19(28)26(2)3)24-14-6-13(8-21-15(14)7-20)16-9-23-17(10-22-16)25-18(27)12-4-5-12/h6,8-12,24H,4-5H2,1-3H3,(H,23,25,27)/t11-/m1/s1","FVYYHMCSFFZPKR-LLVKDONJSA-N",null,1585]
[21310,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM569951","Fc1cc(NC2=NCC3(CC3)CO2)cc(F)c1Oc1ccnc2[nH]cc(Cl)c12","InChI=1S/C19H15ClF2N4O2/c20-11-7-24-17-15(11)14(1-4-23-17)28-16-12(21)5-10(6-13(16)22)26-18-25-8-19(2-3-19)9-27-18/h1,4-7H,2-3,8-9H2,(H,23,24)(H,25,26)","YSDKELLAHCDEHC-UHFFFAOYSA-N",null,1900]
[21320,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278042","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(C4COC4)[C@@H](C)C3)n2)[C@H](F)C1","InChI=1S/C32H37FN8O4/c1-20-15-39(11-12-41(20)26-17-44-18-26)25-6-4-24(5-7-25)37-32-36-19-35-30(38-32)22-3-8-28(23(13-22)14-34)45-29-9-10-40(16-27(29)33)31(43)21(2)42/h3-8,13,19-21,26-27,29,42H,9-12,15-18H2,1-2H3,(H,35,36,37,38)/t20-,21-,27+,29-/m0/s1","OVWZLWGXHAZWNX-ORDLOIQJSA-N",null,2000,{"$nulls":4},7]
[21327,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278086","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC4COC4)CC3)n2)[C@H](F)C1","InChI=1S/C32H37FN8O4/c1-21(42)31(43)41-9-8-29(27(33)17-41)45-28-7-2-23(14-24(28)15-34)30-35-20-36-32(38-30)37-25-3-5-26(6-4-25)40-12-10-39(11-13-40)16-22-18-44-19-22/h2-7,14,20-22,27,29,42H,8-13,16-19H2,1H3,(H,35,36,37,38)/t21-,27+,29-/m0/s1","JAVKGTUGXXDJJO-PEXXQYNDSA-N",null,2000,{"$nulls":4},7]
[21344,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM277921","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1cnn[nH]1",{"$nulls":3},2000,{"$nulls":4},7]
[21368,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM277844","CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cc1","InChI=1S/C26H29N7O4S/c1-38(34,35)33-12-10-32(11-13-33)22-5-3-21(4-6-22)30-26-29-18-28-25(31-26)19-2-7-24(20(16-19)17-27)37-23-8-14-36-15-9-23/h2-7,16,18,23H,8-15H2,1H3,(H,28,29,30,31)","OOKBEGBHZWHIHI-UHFFFAOYSA-N",null,2000,{"$nulls":4},7]
[21377,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278356","COc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@@H](O)CO)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C32H37FN8O6/c1-45-29-13-22(3-4-25(29)40-10-8-39(9-11-40)23-17-46-18-23)37-32-36-19-35-30(38-32)20-2-5-27(21(12-20)14-34)47-28-6-7-41(15-24(28)33)31(44)26(43)16-42/h2-5,12-13,19,23-24,26,28,42-43H,6-11,15-18H2,1H3,(H,35,36,37,38)/t24-,26+,28+/m1/s1","LTWUQUYWPHRFIK-XDIPAPSNSA-N",null,2000,{"$nulls":4},7]
[21400,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278247","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(C4COC4)[C@@H](CO)C3)n2)C(F)(F)C1","InChI=1S/C32H36F2N8O5/c1-20(44)30(45)41-9-8-28(32(33,34)18-41)47-27-7-2-21(12-22(27)13-35)29-36-19-37-31(39-29)38-23-3-5-24(6-4-23)40-10-11-42(25(14-40)15-43)26-16-46-17-26/h2-7,12,19-20,25-26,28,43-44H,8-11,14-18H2,1H3,(H,36,37,38,39)/t20-,25+,28-/m0/s1","GZORTYZAMMARJL-OUKRDIKDSA-N",null,2000,{"$nulls":4},7]
[21410,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278162","OC[C@@H]1COCCN1c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)cc1","InChI=1S/C28H30FN7O5/c29-23-13-35(26(39)15-38)8-7-25(23)41-24-6-1-18(11-19(24)12-30)27-31-17-32-28(34-27)33-20-2-4-21(5-3-20)36-9-10-40-16-22(36)14-37/h1-6,11,17,22-23,25,37-38H,7-10,13-16H2,(H,31,32,33,34)/t22-,23-,25+/m1/s1","QPWPSCNQQGTOFW-OYRHQHFDSA-N",null,2000,{"$nulls":4},7]
[21431,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278276","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(C)CC3)n2)[C@H](F)C1","InChI=1S/C29H33FN8O3/c1-19(39)28(40)38-10-9-26(24(30)17-38)41-25-8-3-20(15-21(25)16-31)27-32-18-33-29(35-27)34-22-4-6-23(7-5-22)37-13-11-36(2)12-14-37/h3-8,15,18-19,24,26,39H,9-14,17H2,1-2H3,(H,32,33,34,35)/t19-,24+,26-/m0/s1","GXQGKKMBPCIISM-LNXUECGXSA-N",null," 2.00"]
[21443,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278314","Cc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)C3CCC(=O)N3)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C34H38FN9O4/c1-21-14-24(3-5-28(21)43-12-10-42(11-13-43)25-18-47-19-25)39-34-38-20-37-32(41-34)22-2-6-29(23(15-22)16-36)48-30-8-9-44(17-26(30)35)33(46)27-4-7-31(45)40-27/h2-3,5-6,14-15,20,25-27,30H,4,7-13,17-19H2,1H3,(H,40,45)(H,37,38,39,41)/t26-,27?,30+/m1/s1","AKAUMDZLUOAWNI-XLCWFIMTSA-N",null," 2.00"]
[21460,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM277839","COc1cc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cc(F)c1N1CCN(CC1)C1COC1","InChI=1S/C29H32FN7O4/c1-38-26-14-21(13-24(30)27(26)37-8-6-36(7-9-37)22-16-40-17-22)34-29-33-18-32-28(35-29)19-2-3-25(20(12-19)15-31)41-23-4-10-39-11-5-23/h2-3,12-14,18,22-23H,4-11,16-17H2,1H3,(H,32,33,34,35)","LFMSUPFATQZRJB-UHFFFAOYSA-N",null," 2.00"]
[21480,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278140","C[C@H](O)C(=O)N1CCC(Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CC4CCC(C3)O4)n2)[C@H](F)C1","InChI=1S/C30H32FN7O4/c1-18(39)29(40)37-11-10-27(25(31)16-37)42-26-9-2-19(12-20(26)13-32)28-33-17-34-30(36-28)35-21-3-5-22(6-4-21)38-14-23-7-8-24(15-38)41-23/h2-6,9,12,17-18,23-25,27,39H,7-8,10-11,14-16H2,1H3,(H,33,34,35,36)/t18-,23?,24?,25+,27?/m0/s1","NFAWZOJBLCKAMG-FJORYIBESA-N",null,2000,{"$nulls":4},7]
[21493,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478444","Cc1ncc(C)c(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CCC4)ccn3)[nH]c2c1","InChI=1S/C28H32N8O/c1-18-16-30-19(2)31-26(18)22-6-7-23-24(15-22)33-28(32-23)34-25-14-20(8-9-29-25)17-35-10-12-36(13-11-35)27(37)21-4-3-5-21/h6-9,14-16,21H,3-5,10-13,17H2,1-2H3,(H2,29,32,33,34)","HJQDNIPQNJLFNO-UHFFFAOYSA-N",null,2120]
[21511,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM50520156","C[C@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2nc(C)no2)c1","InChI=1S/C24H25F3N8O2/c1-14(34-7-9-35(10-8-34)21(36)13-24(25,26)27)16-5-6-28-20(12-16)32-23-30-18-4-3-17(11-19(18)31-23)22-29-15(2)33-37-22/h3-6,11-12,14H,7-10,13H2,1-2H3,(H2,28,30,31,32)/t14-/m0/s1","SYMILEXMAHCATG-AWEZNQCLSA-N",null,2490]
[21526,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","IKK epsilon/TBK1","Homo sapiens","BDBM50520168","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C23H23F3N8O2/c1-14-28-21(36-32-14)16-2-3-17-18(11-16)30-22(29-17)31-19-10-15(4-5-27-19)13-33-6-8-34(9-7-33)20(35)12-23(24,25)26/h2-5,10-11H,6-9,12-13H2,1H3,(H2,27,29,30,31)","UOPCRSIUYMGQCP-UHFFFAOYSA-N",null,2750]
[21543,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278323","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc4CNCc4c3)n2)[C@H](F)C1","InChI=1S/C26H26FN7O3/c1-15(35)25(36)34-7-6-23(21(27)13-34)37-22-5-3-16(8-18(22)10-28)24-30-14-31-26(33-24)32-20-4-2-17-11-29-12-19(17)9-20/h2-5,8-9,14-15,21,23,29,35H,6-7,11-13H2,1H3,(H,30,31,32,33)/t15-,21+,23-/m0/s1","GJAQYJWEEXUKPK-XFEAKLGESA-N",null,3000,{"$nulls":4},7]
[21559,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278268","CN1CCC(CC1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)c3nnc(C)[nH]3)c(c2)C#N)cc1C",{"$nulls":3},3000,{"$nulls":4},7]
[21560,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278284","OCCn1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)cn1","InChI=1S/C22H23FN8O4/c23-17-11-30(20(34)12-33)4-3-19(17)35-18-2-1-14(7-15(18)8-24)21-25-13-26-22(29-21)28-16-9-27-31(10-16)5-6-32/h1-2,7,9-10,13,17,19,32-33H,3-6,11-12H2,(H,25,26,28,29)/t17-,19+/m1/s1","VFYVJNXWRBZRHQ-MJGOQNOKSA-N",null,3000,{"$nulls":4},7]
[21576,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278099","Cc1cc([nH]n1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1",{"$nulls":3},3000,{"$nulls":4},7]
[21593,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278074","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(N3CCNCC3)c(F)c2)n1)C=O","InChI=1S/C26H26F2N8O2/c27-20-12-19(2-3-22(20)36-9-6-30-7-10-36)33-26-32-15-31-25(34-26)17-1-4-23(18(11-17)13-29)38-24-5-8-35(16-37)14-21(24)28/h1-4,11-12,15-16,21,24,30H,5-10,14H2,(H,31,32,33,34)/t21-,24+/m1/s1","XIBSPXSQCNVPPC-QPPBQGQZSA-N",null,3000,{"$nulls":4},7]
[21610,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278032","C[C@H]1CN(CCN1c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(CC3(F)F)C(=O)CCO)c(c2)C#N)cc1)C1COC1","InChI=1S/C32H36F2N8O4/c1-21-16-40(26-17-45-18-26)11-12-42(21)25-5-3-24(4-6-25)38-31-37-20-36-30(39-31)22-2-7-27(23(14-22)15-35)46-28-8-10-41(19-32(28,33)34)29(44)9-13-43/h2-7,14,20-21,26,28,43H,8-13,16-19H2,1H3,(H,36,37,38,39)/t21-,28-/m0/s1","ZYIWBKBHSZCDAY-KMRXNPHXSA-N",null,3000,{"$nulls":4},7]
[21624,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM277853","O=C(NC1COC1)c1ccc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cc1","InChI=1S/C25H24N6O4/c26-12-18-11-17(3-6-22(18)35-21-7-9-33-10-8-21)23-27-15-28-25(31-23)30-19-4-1-16(2-5-19)24(32)29-20-13-34-14-20/h1-6,11,15,20-21H,7-10,13-14H2,(H,29,32)(H,27,28,30,31)","URHODGROVLUHQW-UHFFFAOYSA-N",null,3000,{"$nulls":4},7]
[21643,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","IKK epsilon/TBK1","Homo sapiens","BDBM50520156","C[C@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2nc(C)no2)c1","InChI=1S/C24H25F3N8O2/c1-14(34-7-9-35(10-8-34)21(36)13-24(25,26)27)16-5-6-28-20(12-16)32-23-30-18-4-3-17(11-19(18)31-23)22-29-15(2)33-37-22/h3-6,11-12,14H,7-10,13H2,1-2H3,(H2,28,30,31,32)/t14-/m0/s1","SYMILEXMAHCATG-AWEZNQCLSA-N",null,3020]
[21656,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM50401940","Fc1cccc(Nc2ncc(Br)c(NCCCNC(=O)c3cccc(c3)N3CCOCC3)n2)c1","InChI=1S/C24H26BrFN6O2/c25-21-16-29-24(30-19-6-2-5-18(26)15-19)31-22(21)27-8-3-9-28-23(33)17-4-1-7-20(14-17)32-10-12-34-13-11-32/h1-2,4-7,14-16H,3,8-13H2,(H,28,33)(H2,27,29,30,31)","BHTWDDFYVRILBE-UHFFFAOYSA-N",null,3600]
[21676,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278058","FC1(COc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)COC1","InChI=1S/C27H28FN7O3/c28-27(15-37-16-27)17-38-24-6-1-19(11-20(24)12-29)25-30-18-31-26(33-25)32-21-2-4-22(5-3-21)34-7-9-35(10-8-34)23-13-36-14-23/h1-6,11,18,23H,7-10,13-17H2,(H,30,31,32,33)","BNYOMOHLQOUMQI-UHFFFAOYSA-N",null,4000,{"$nulls":4},7]
[21688,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278008","CC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCO[C@@H](CO)C3)n2)C(F)(F)C1","InChI=1S/C28H29F2N7O4/c1-18(39)37-9-8-25(28(29,30)16-37)41-24-7-2-19(12-20(24)13-31)26-32-17-33-27(35-26)34-21-3-5-22(6-4-21)36-10-11-40-23(14-36)15-38/h2-7,12,17,23,25,38H,8-11,14-16H2,1H3,(H,32,33,34,35)/t23-,25+/m1/s1","JCKZOZMUPGMZAM-NOZRDPDXSA-N",null,4000,{"$nulls":4},7]
[21709,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278196","Cc1nnc([nH]1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3cnn(c3)C(C)(C)C)n2)[C@H](F)C1",{"$nulls":3},4000,{"$nulls":4},7]
[21726,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278150","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(N3CCN(CC3)C3COC3)c(F)c2)n1)C(=O)C1CCC(=O)N1","InChI=1S/C33H35F2N9O4/c34-24-14-22(2-4-27(24)43-11-9-42(10-12-43)23-17-47-18-23)39-33-38-19-37-31(41-33)20-1-5-28(21(13-20)15-36)48-29-7-8-44(16-25(29)35)32(46)26-3-6-30(45)40-26/h1-2,4-5,13-14,19,23,25-26,29H,3,6-12,16-18H2,(H,40,45)(H,37,38,39,41)/t25-,26?,29+/m1/s1","KPGIDJSDXDIHSZ-VJHAGTGTSA-N",null,4000,{"$nulls":4},7]
[21736,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM357925","CN(C)CC#Cc1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O","InChI=1S/C18H15N3O4/c1-21(2)7-3-4-10-5-6-14-11(8-10)15(22)12-9-13(18(23)24)16(19)20-17(12)25-14/h5-6,8-9H,7H2,1-2H3,(H2,19,20)(H,23,24)","IXIDBGUSMRFEAI-UHFFFAOYSA-N",null,4240]
[21759,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM277807","N#Cc1cc(ccc1O[C@@H]1CCOC1)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C27H29N7O3/c28-14-20-13-19(1-6-25(20)37-24-7-12-35-17-24)26-29-18-30-27(32-26)31-21-2-4-22(5-3-21)33-8-10-34(11-9-33)23-15-36-16-23/h1-6,13,18,23-24H,7-12,15-17H2,(H,29,30,31,32)/t24-/m1/s1","BIXRKPUKMMJCGM-XMMPIXPASA-N",null,5000,{"$nulls":4},7]
[21768,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278142","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CC4(COC4)C3)n2)[C@H](F)C1","InChI=1S/C29H30FN7O4/c1-18(38)27(39)36-9-8-25(23(30)12-36)41-24-7-2-19(10-20(24)11-31)26-32-17-33-28(35-26)34-21-3-5-22(6-4-21)37-13-29(14-37)15-40-16-29/h2-7,10,17-18,23,25,38H,8-9,12-16H2,1H3,(H,32,33,34,35)/t18-,23+,25-/m0/s1","FKAFYJCOCOVHLN-UODBTFMRSA-N",null,5000,{"$nulls":4},7]
[21792,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM277918","OC1(CC1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C32H35FN8O4/c33-26-17-41(30(42)32(43)8-9-32)10-7-28(26)45-27-6-1-21(15-22(27)16-34)29-35-20-36-31(38-29)37-23-2-4-24(5-3-23)39-11-13-40(14-12-39)25-18-44-19-25/h1-6,15,20,25-26,28,43H,7-14,17-19H2,(H,35,36,37,38)/t26-,28+/m1/s1","IALKHRKJWQJJJS-IAPPQJPRSA-N",null,6000,{"$nulls":4},7]
[21809,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278202","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)N1CCCC1","InChI=1S/C33H38FN9O3/c34-28-19-43(33(44)42-10-1-2-11-42)12-9-30(28)46-29-8-3-23(17-24(29)18-35)31-36-22-37-32(39-31)38-25-4-6-26(7-5-25)40-13-15-41(16-14-40)27-20-45-21-27/h3-8,17,22,27-28,30H,1-2,9-16,19-21H2,(H,36,37,38,39)/t28-,30+/m1/s1","WOJOHNDHPPXORN-DGPALRBDSA-N",null,6000,{"$nulls":4},7]
[21816,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278320","C[C@@H]1CN(CCN1C1COC1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@@H]3CCC(=O)N3)c(c2)C#N)cc1","InChI=1S/C34H38FN9O4/c1-21-16-42(12-13-44(21)26-18-47-19-26)25-5-3-24(4-6-25)39-34-38-20-37-32(41-34)22-2-8-29(23(14-22)15-36)48-30-10-11-43(17-27(30)35)33(46)28-7-9-31(45)40-28/h2-6,8,14,20-21,26-28,30H,7,9-13,16-19H2,1H3,(H,40,45)(H,37,38,39,41)/t21-,27-,28+,30+/m1/s1","VEJODSCPAOHWJG-NKNKFDROSA-N",null,6000,{"$nulls":4},7]
[21826,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM277786","Cn1cc(Nc2ncnc(n2)-c2ccc(N3CCCC3)c(c2)C#N)cn1","InChI=1S/C18H18N8/c1-25-11-15(10-22-25)23-18-21-12-20-17(24-18)13-4-5-16(14(8-13)9-19)26-6-2-3-7-26/h4-5,8,10-12H,2-3,6-7H2,1H3,(H,20,21,23,24)","XJRBKRKVNGQEPX-UHFFFAOYSA-N",null,7000,{"$nulls":4},7]
[21848,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM205218","NC(=O)c1nc(sc1NC(=O)c1cnn(CC2CCNCC2)c1)-c1ccncc1","InChI=1S/C19H21N7O2S/c20-16(27)15-19(29-18(24-15)13-3-7-22-8-4-13)25-17(28)14-9-23-26(11-14)10-12-1-5-21-6-2-12/h3-4,7-9,11-12,21H,1-2,5-6,10H2,(H2,20,27)(H,25,28)","OKDBAKQZUSFJMY-UHFFFAOYSA-N",null,7900,{"$nulls":4},"07:05:00","30.00 C"]
[21859,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278261","COc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@H](C)O)c(c2)C#N)ccc1S(C)(=O)=O","InChI=1S/C26H27FN6O6S/c1-15(34)25(35)33-9-8-21(19(27)13-33)39-20-6-4-16(10-17(20)12-28)24-29-14-30-26(32-24)31-18-5-7-23(40(3,36)37)22(11-18)38-2/h4-7,10-11,14-15,19,21,34H,8-9,13H2,1-3H3,(H,29,30,31,32)/t15-,19+,21-/m0/s1","UUYGOKZIAFBEGX-DLVCFXQMSA-N",null,8000,{"$nulls":4},7]
[21876,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM277809","COc1cc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1OC(F)F","InChI=1S/C23H21F2N5O4/c1-31-20-11-16(3-5-19(20)34-22(24)25)29-23-28-13-27-21(30-23)14-2-4-18(15(10-14)12-26)33-17-6-8-32-9-7-17/h2-5,10-11,13,17,22H,6-9H2,1H3,(H,27,28,29,30)","PMHQAZQZXRIEPG-UHFFFAOYSA-N",null,9000,{"$nulls":4},7]
[21896,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM50235817","FC(F)(F)CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2ccoc12","InChI=1S/C18H17ClF3N5O2/c19-12-9-11(1-2-14(12)27-4-7-28-8-5-27)24-17-25-13-3-6-29-15(13)16(26-17)23-10-18(20,21)22/h1-3,6,9H,4-5,7-8,10H2,(H2,23,24,25,26)","WHFIWINTCCNYQZ-UHFFFAOYSA-N",null,">10000"]
[21909,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478624","CC(N1CCN(CC1)C(=O)OC(C)(C)C)c1ccnc(Nc2nc3cc(ccc3[nH]2)-c2cc(nn2C)C(F)(F)F)c1",{"$nulls":3},11000]
[21928,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278207","OCCNC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C31H36FN9O4/c32-26-17-41(31(43)34-8-14-42)9-7-28(26)45-27-6-1-21(15-22(27)16-33)29-35-20-36-30(38-29)37-23-2-4-24(5-3-23)39-10-12-40(13-11-39)25-18-44-19-25/h1-6,15,20,25-26,28,42H,7-14,17-19H2,(H,34,43)(H,35,36,37,38)/t26-,28+/m1/s1","PYTUFPILQLEPRN-IAPPQJPRSA-N",null,12000,{"$nulls":4},7]
[21942,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278117","Nc1nccnc1C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C33H34FN11O3/c34-26-17-45(32(46)29-30(36)38-9-8-37-29)10-7-28(26)48-27-6-1-21(15-22(27)16-35)31-39-20-40-33(42-31)41-23-2-4-24(5-3-23)43-11-13-44(14-12-43)25-18-47-19-25/h1-6,8-9,15,20,25-26,28H,7,10-14,17-19H2,(H2,36,38)(H,39,40,41,42)/t26-,28+/m1/s1","TUDVAHLWBUYQRR-IAPPQJPRSA-N",null,14000,{"$nulls":4},7]
[21959,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM277867","OCCC(=O)N1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C30H34N8O4/c31-16-22-15-21(1-6-27(22)42-26-7-9-38(17-26)28(40)8-14-39)29-32-20-33-30(35-29)34-23-2-4-24(5-3-23)36-10-12-37(13-11-36)25-18-41-19-25/h1-6,15,20,25-26,39H,7-14,17-19H2,(H,32,33,34,35)/t26-/m1/s1","FZSLRMXXPFMIOL-AREMUKBSSA-N",null,16000,{"$nulls":4},7]
[21975,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278038","C[C@H]1CN(CCN1c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(CC3(F)F)C(=O)c3nnc[nH]3)c(c2)C#N)cc1)C1COC1",{"$nulls":3}," 2.00"]
[21992,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM276966","COc1cc(ccc1N1CCN(CC1)C1COC1)-c1cc2c(ncnc2[nH]1)-c1ccc(N2CC[C@@H](O)C2)c(c1)C#N","InChI=1S/C31H33N7O3/c1-40-29-13-20(2-5-28(29)37-10-8-36(9-11-37)23-17-41-18-23)26-14-25-30(33-19-34-31(25)35-26)21-3-4-27(22(12-21)15-32)38-7-6-24(39)16-38/h2-5,12-14,19,23-24,39H,6-11,16-18H2,1H3,(H,33,34,35)/t24-/m1/s1","PPLYZIXDSCRZFR-XMMPIXPASA-N",null," 2.03"]
[22008,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM2579","CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13","InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1","HKSZLNNOFSGOKW-FYTWVXJKSA-N",null," 2.2"]
[22025,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278272","O=C(CC#N)Nc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C26H25N9O2/c27-8-7-24(36)32-23-6-1-18(13-19(23)14-28)25-29-17-30-26(33-25)31-20-2-4-21(5-3-20)34-9-11-35(12-10-34)22-15-37-16-22/h1-6,13,17,22H,7,9-12,15-16H2,(H,32,36)(H,29,30,31,33)","HUMZNAWKSVYZQT-UHFFFAOYSA-N",null,19000,{"$nulls":4},7]
[22039,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM569882","CC1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]ccc34)c(F)c2)=NC1",{"$nulls":3},">20000"]
[22058,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM569904","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(CC5CC5)CO4)cc3F)c12",{"$nulls":3},">20000"]
[22059,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM569905","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(CO4)C4CC4)cc3F)c12",{"$nulls":3},">20000"]
[22087,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM569948","Fc1cc(NC2=NCCCS2)cc(F)c1Oc1ccnc2[nH]cc(Cl)c12","InChI=1S/C17H13ClF2N4OS/c18-10-8-23-16-14(10)13(2-4-21-16)25-15-11(19)6-9(7-12(15)20)24-17-22-3-1-5-26-17/h2,4,6-8H,1,3,5H2,(H,21,23)(H,22,24)","KXQVENCRMUDMJW-UHFFFAOYSA-N",null,">20000"]
[22092,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM569953","OCC1CN=C(Nc2cc(F)c(Oc3ccnc4[nH]cc(Cl)c34)c(F)c2)O1",{"$nulls":3},">20000"]
[22119,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM569852","CC1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(C5=CC6CCC(C5)N6)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
[22125,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM569858","OCC1COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(Cl)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
[22151,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM570012","CNC(=O)c1cc(F)cc(c1)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
[22158,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM570019","CCOc1ncc(cc1C(N)=O)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(F)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
[22175,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM569909","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(Cc5cnn(C)c5)CO4)cc3F)c12",{"$nulls":3},">20000"]
[22184,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM569920","CC(C)c1cc(ccc1-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12)C#N",{"$nulls":3},">20000"]
[22208,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM569945","CC(C)Oc1cccc(-c2c[nH]c3nccc(Oc4c(F)cc(NC5=NCC(C)(CO)CO5)cc4F)c23)c1F",{"$nulls":3},">20000"]
[22216,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM570042","Cn1c(Cl)ncc1-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(F)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
[22241,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM569978","OCC1(F)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(CCC(F)(F)F)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
[22258,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM569995","CC1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(c34)C3(O)COC3)c(F)c2)=NC1",{"$nulls":3},">20000"]
[22264,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM570001","CC(C)OC1(COC1)c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
[22291,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM277975","CS(=O)(=O)N1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H32N8O4S/c1-41(37,38)36-9-8-25(16-36)40-26-7-2-20(14-21(26)15-29)27-30-19-31-28(33-27)32-22-3-5-23(6-4-22)34-10-12-35(13-11-34)24-17-39-18-24/h2-7,14,19,24-25H,8-13,16-18H2,1H3,(H,30,31,32,33)/t25-/m1/s1","AQTFPLJMEGCPSJ-RUZDIDTESA-N",null,26000,{"$nulls":4},7]
[22296,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM277859","OCC(=O)N1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ncnc(Nc2cccc(c2)N2CCOCC2)n1","InChI=1S/C26H27N7O4/c27-14-19-12-18(4-5-23(19)37-22-6-7-33(15-22)24(35)16-34)25-28-17-29-26(31-25)30-20-2-1-3-21(13-20)32-8-10-36-11-9-32/h1-5,12-13,17,22,34H,6-11,15-16H2,(H,28,29,30,31)/t22-/m1/s1","DLGOLPMIWUFODI-JOCHJYFZSA-N",null,27000,{"$nulls":4},7]
[22308,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM50448975","COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1cc(cs1)C(O)=O","InChI=1S/C18H13N3O3S/c1-24-13-4-2-10(3-5-13)16-20-14-6-11(8-19-17(14)21-16)15-7-12(9-25-15)18(22)23/h2-9H,1H3,(H,22,23)(H,19,20,21)","NKTGILZAOLEZPR-UHFFFAOYSA-N",null,">30000"]
[22325,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278227","CC1(C)CN(C[C@H](F)[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)CC#N","InChI=1S/C33H36FN9O3/c1-33(2)20-43(29(44)9-10-35)17-27(34)30(33)46-28-8-3-22(15-23(28)16-36)31-37-21-38-32(40-31)39-24-4-6-25(7-5-24)41-11-13-42(14-12-41)26-18-45-19-26/h3-8,15,21,26-27,30H,9,11-14,17-20H2,1-2H3,(H,37,38,39,40)/t27-,30-/m0/s1","NUBDSDZKTJMNAA-FIBWVYCGSA-N",null,35000,{"$nulls":4},7]
[22344,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278224","FC1(F)CC(CNC1=O)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H28F2N8O3/c29-28(30)12-23(14-32-26(28)39)41-24-6-1-18(11-19(24)13-31)25-33-17-34-27(36-25)35-20-2-4-21(5-3-20)37-7-9-38(10-8-37)22-15-40-16-22/h1-6,11,17,22-23H,7-10,12,14-16H2,(H,32,39)(H,33,34,35,36)","KKWLPBIPKSNWQE-UHFFFAOYSA-N",null,48000,{"$nulls":4},7]
[22358,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM277891","F[C@@H]1CN(CCC1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)[C@H]1CCC(=O)N1","InChI=1S/C33H36FN9O4/c34-26-17-43(32(45)27-6-8-30(44)39-27)10-9-29(26)47-28-7-1-21(15-22(28)16-35)31-36-20-37-33(40-31)38-23-2-4-24(5-3-23)41-11-13-42(14-12-41)25-18-46-19-25/h1-5,7,15,20,25-27,29H,6,8-14,17-19H2,(H,39,44)(H,36,37,38,40)/t26-,27-,29?/m1/s1","HYSXCIWSGSVAGD-PNDVLSOFSA-N",null,64000,{"$nulls":4},7]
[22376,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM357899","CC(C)c1cc2c(cn1)oc1nc(N)c(cc1c2=O)C(O)=O","InChI=1S/C15H13N3O4/c1-6(2)10-4-7-11(5-17-10)22-14-8(12(7)19)3-9(15(20)21)13(16)18-14/h3-6H,1-2H3,(H2,16,18)(H,20,21)","HDNSOCZDMSVBGH-UHFFFAOYSA-N",null,85114]
[22391,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278053","FC1(F)Oc2ccc(Nc3ncnc(n3)-c3ccc(OC4CCOCC4)c(c3)C#N)cc2O1","InChI=1S/C22H17F2N5O4/c23-22(24)32-18-4-2-15(10-19(18)33-22)28-21-27-12-26-20(29-21)13-1-3-17(14(9-13)11-25)31-16-5-7-30-8-6-16/h1-4,9-10,12,16H,5-8H2,(H,26,27,28,29)","LHXLDDHQDUKPIM-UHFFFAOYSA-N",null,115000,{"$nulls":4},7]
[22407,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM277823","CC(C)(O)C(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C32H38N8O4/c1-32(2,42)30(41)40-11-9-27(10-12-40)44-28-8-3-22(17-23(28)18-33)29-34-21-35-31(37-29)36-24-4-6-25(7-5-24)38-13-15-39(16-14-38)26-19-43-20-26/h3-8,17,21,26-27,42H,9-16,19-20H2,1-2H3,(H,34,35,36,37)","MXSKANBBVMHWBN-UHFFFAOYSA-N",null,202000,{"$nulls":4},7]
[22424,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM357893","Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCSCC1","InChI=1S/C18H16N2O4S/c19-16-13(18(22)23)8-12-15(21)11-7-10(9-3-5-25-6-4-9)1-2-14(11)24-17(12)20-16/h1-2,7-9H,3-6H2,(H2,19,20)(H,22,23)","XVFXLPHBPBGJMX-UHFFFAOYSA-N",null,489779]
[22441,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM277993","N#Cc1cccc(c1)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C23H23N7O/c24-13-17-2-1-3-18(12-17)22-25-16-26-23(28-22)27-19-4-6-20(7-5-19)29-8-10-30(11-9-29)21-14-31-15-21/h1-7,12,16,21H,8-11,14-15H2,(H,25,26,27,28)","KAFOVKLSWXRVCT-UHFFFAOYSA-N",null,1000000,{"$nulls":4},7]
[22456,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM5931","CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1","InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)","OUSFTKFNBAZUKL-UHFFFAOYSA-N",null,null,">10000"]
[22474,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM31085","CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1","InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)","ODPGGGTTYSGTGO-UHFFFAOYSA-N",null,null,">10000"]
[22487,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM50379356","COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3(CN)CC3)c2[nH]1","InChI=1S/C21H25BrN6O2/c1-30-14-5-3-13(4-6-14)18-27-17-16(15(22)11-26-19(17)28-18)24-9-2-10-25-20(29)21(12-23)7-8-21/h3-6,11H,2,7-10,12,23H2,1H3,(H,25,29)(H2,24,26,27,28)","XUELBKVSGYWSKD-UHFFFAOYSA-N",{"$nulls":3},20]
[22507,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM17051","Ic1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)c1cccs1","InChI=1S/C23H26IN7O2S/c24-18-15-27-22(30-20(18)25-9-5-10-26-21(32)19-8-4-13-34-19)28-16-6-3-7-17(14-16)29-23(33)31-11-1-2-12-31/h3-4,6-8,13-15H,1-2,5,9-12H2,(H,26,32)(H,29,33)(H2,25,27,28,30)","VAVXGGRQQJZYBL-UHFFFAOYSA-N",null,null,158]
[22524,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM276823","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1cnn(c1)C1CNC1","InChI=1S/C25H24N6O2/c26-11-17-9-16(1-2-24(17)33-20-4-7-32-8-5-20)21-3-6-28-25-22(21)10-23(30-25)18-12-29-31(15-18)19-13-27-14-19/h1-3,6,9-10,12,15,19-20,27H,4-5,7-8,13-14H2,(H,28,30)","RQMSNFNMLUFOPR-UHFFFAOYSA-N",null," 2.38",{"$nulls":4},7]
[22536,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478729","CC(N1CCN(CC1)C(=O)C1(CC1)C(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N2CCOCC2)c1",{"$nulls":3}," 2.60"]
[22557,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM478605","O=C(C1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cc(OCC4CC4)ncn3)c2)CC1","InChI=1S/C29H32N8O2/c38-28(21-3-4-21)37-11-9-36(10-12-37)16-20-7-8-30-26(13-20)35-29-33-23-6-5-22(14-25(23)34-29)24-15-27(32-18-31-24)39-17-19-1-2-19/h5-8,13-15,18-19,21H,1-4,9-12,16-17H2,(H2,30,33,34,35)","OYIVOITWOSRFOF-UHFFFAOYSA-N",null," 2.90"]
[22567,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM485817","CN(CCNc1ccnc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)n1)C(=O)C1CCC1","InChI=1S/C52H73N9O9S/c1-36-46(71-35-56-36)38-15-13-37(14-16-38)32-55-48(64)43-31-41(62)33-61(43)50(66)47(52(2,3)4)59-45(63)34-69-29-9-27-67-25-6-7-26-68-28-10-30-70-42-19-17-40(18-20-42)57-51-54-22-21-44(58-51)53-23-24-60(5)49(65)39-11-8-12-39/h13-22,35,39,41,43,47,62H,6-12,23-34H2,1-5H3,(H,55,64)(H,59,63)(H2,53,54,57,58)/t41-,43+,47-/m1/s1","LBZUYZCUFPSFJT-DQFBHCSJSA-N",null,null,725]
[22574,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM2579","CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13","InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1","HKSZLNNOFSGOKW-FYTWVXJKSA-N",null,null," 0.890000"]
[22591,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM5446","COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC","InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)","AAKJLRGGTJKAMG-UHFFFAOYSA-N",null,null,3100]
[22615,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM50355496","O=C(N1CCNCC1)c1ccc(\\C=C\\c2n[nH]c3ccccc23)cc1","InChI=1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1-10,21H,11-14H2,(H,22,23)/b10-7+","YYLKKYCXAOBSRM-JXMROGBWSA-N",null,null,130]
[22624,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM50322823","CN(C)C\\C=C\\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1","InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1","ULXXDDBFHOBEHA-CWDCEQMOSA-N",null,null,">10000"]
[22647,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278099","Cc1cc([nH]n1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1",{"$nulls":3}," 3.00"]
[22657,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278171","OCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(N4CCN(CC4)C4COC4)c(OC(F)F)c3)n2)[C@H](F)C1","InChI=1S/C31H33F3N8O5/c32-23-14-42(28(44)15-43)6-5-26(23)46-25-4-1-19(11-20(25)13-35)29-36-18-37-31(39-29)38-21-2-3-24(27(12-21)47-30(33)34)41-9-7-40(8-10-41)22-16-45-17-22/h1-4,11-12,18,22-23,26,30,43H,5-10,14-17H2,(H,36,37,38,39)/t23-,26+/m1/s1","RFYXJCRAXNSLMY-BVAGGSTKSA-N",null," 3.00"]
[22679,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDBM278246","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(C4COC4)[C@@H](CO)C3)n2)[C@H](F)C1","InChI=1S/C32H37FN8O5/c1-20(43)31(44)40-9-8-29(27(33)15-40)46-28-7-2-21(12-22(28)13-34)30-35-19-36-32(38-30)37-23-3-5-24(6-4-23)39-10-11-41(25(14-39)16-42)26-17-45-18-26/h2-7,12,19-20,25-27,29,42-43H,8-11,14-18H2,1H3,(H,35,36,37,38)/t20-,25+,27+,29-/m0/s1","YDLBTCJVTZVXDU-YIQSPCMESA-N",null," 3.00"]
[22690,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM17055","CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21","InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1","ZCBUQCWBWNUWSU-SFHVURJKSA-N",null,null,">10000"]
[22707,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM25084","Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1","InChI=1S/C18H14N6O2/c19-16-15-17(24-18(20)23-16)22-14(10-4-2-6-12(26)8-10)13(21-15)9-3-1-5-11(25)7-9/h1-8,25-26H,(H4,19,20,22,23,24)","UJIAQDJKSXQLIT-UHFFFAOYSA-N",null,null," 7.9"]
[22727,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM25617","CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F","InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)","YZDJQTHVDDOVHR-UHFFFAOYSA-N",null,null,">10000"]
[22740,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM24654","Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1","InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)","OVPNQJVDAFNBDN-UHFFFAOYSA-N",null,null,">10000"]
[22759,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDBM50014730","COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F","InChI=1S/C22H33F3N4O7/c1-11(2)17(18(32)22(23,24)25)28-20(34)14-7-6-10-29(14)21(35)13(4)27-19(33)12(3)26-15(30)8-9-16(31)36-5/h11-14,17H,6-10H2,1-5H3,(H,26,30)(H,27,33)(H,28,34)/t12-,13-,14-,17-/m0/s1","GLEKDCYUGXACTA-WSMBLCCSSA-N",33]
[22773,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDBM50226401","COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)CN(C(C)C)C(=O)Oc1c(F)c(F)c(F)c(F)c1F","InChI=1S/C27H33F5N4O8/c1-12(2)36(27(42)44-24-22(31)20(29)19(28)21(30)23(24)32)11-16(37)15-7-6-10-35(15)26(41)14(4)34-25(40)13(3)33-17(38)8-9-18(39)43-5/h12-15H,6-11H2,1-5H3,(H,33,38)(H,34,40)/t13-,14-,15-/m0/s1","PYFBDGGFPQKJMS-KKUMJFAQSA-N",35000]
[22790,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDBM50071983","CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)C(=O)C(F)(F)F","InChI=1S/C32H49F3N6O11/c1-7-10-18(26(47)32(33,34)35)37-29(50)21-11-9-12-41(21)31(52)24(15(3)4)39-30(51)25(16(5)8-2)40-28(49)20(14-23(45)46)38-27(48)19(13-22(43)44)36-17(6)42/h15-16,18-21,24-25H,7-14H2,1-6H3,(H,36,42)(H,37,50)(H,38,48)(H,39,51)(H,40,49)(H,43,44)(H,45,46)/t16-,18-,19-,20+,21-,24-,25-/m0/s1","RFFLKYMPEXAZRV-VJDGMENDSA-N",null,190]
[22792,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDBM50015876","CC(=O)OCC1=C(N2[C@@H]([C@@H](OC(C)=O)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C","InChI=1S/C16H21NO9S/c1-8(18)24-6-10-7-27(22,23)14-12(25-9(2)19)13(20)17(14)11(10)15(21)26-16(3,4)5/h12,14H,6-7H2,1-5H3/t12-,14+/m0/s1","BLNBFCPVEGNWAN-GXTWGEPZSA-N",null,2000]
[22807,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Oryctolagus cuniculus","BDBM50044982","CC(C)C1(O)[C@@H](OC(=O)c2ccc[nH]2)C2(O)[C@@]3(C)CC4(O)OC5([C@H](OC(=O)CN)C(C)CCC35O)C2(O)C14C","InChI=1S/C27H38N2O10/c1-13(2)24(34)19(38-18(31)15-7-6-10-29-15)25(35)20(4)12-23(33)21(24,5)27(25,36)26(39-23)17(37-16(30)11-28)14(3)8-9-22(20,26)32/h6-7,10,13-14,17,19,29,32-36H,8-9,11-12,28H2,1-5H3/t14?,17-,19-,20+,21?,22?,23?,24?,25?,26?,27?/m1/s1","XNUMBOKCFNVRAL-MPGPDOFNSA-N",null," 1.8"]
[22824,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Oryctolagus cuniculus","BDBM50016411","CC(C)[C@@]1(O)[C@@H](OC(=O)c2ccc[nH]2)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)C6(CO6)CC[C@]35O)[C@@]2(O)[C@]14C","InChI=1S/C25H33NO10/c1-12(2)22(31)16(35-14(27)13-6-5-9-26-13)23(32)17(3)10-21(30)18(22,4)25(23,33)24(36-21)15(28)19(11-34-19)7-8-20(17,24)29/h5-6,9,12,15-16,26,28-33H,7-8,10-11H2,1-4H3/t15-,16-,17+,18-,19?,20+,21+,22-,23-,24-,25-/m1/s1","BLFWHBSHUQXUKD-SJDYKOIUSA-N",null,140]
[22840,"6lxt_F",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Oryctolagus cuniculus","BDBM50016407","CO[C@@H]1[C@@H](C)CC[C@]2(O)[C@]3(C)C[C@]4(OC)O[C@]12[C@@]1(O)[C@]4(C)[C@@](O)(C(C)C)[C@@H](OC(=O)c2cccn2C)[C@@]31OC","InChI=1S/C29H43NO9/c1-16(2)26(33)21(38-20(31)18-11-10-14-30(18)6)28(37-9)22(4)15-25(36-8)23(26,5)29(28,34)27(39-25)19(35-7)17(3)12-13-24(22,27)32/h10-11,14,16-17,19,21,32-34H,12-13,15H2,1-9H3/t17-,19+,21+,22-,23+,24-,25-,26+,27+,28+,29-/m0/s1","BXLDWDWPUYJUFH-LLGQULRJSA-N",null,">10000"]
[22856,"7m71_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401915","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCC2)ncc1C1CC1)C1CCC1","InChI=1S/C22H31N7O/c30-21(16-4-1-5-16)24-11-3-10-23-20-19(15-8-9-15)13-25-22(28-20)27-17-12-26-29(14-17)18-6-2-7-18/h12-16,18H,1-11H2,(H,24,30)(H2,23,25,27,28)","WFLUXPNQSNOSDL-UHFFFAOYSA-N",null,220]
[22873,"7akd_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401920","Cc1nn(C)c2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C24H31N7O/c1-15-19-10-9-18(13-21(19)31(2)30-15)28-24-27-14-20(16-7-8-16)22(29-24)25-11-4-12-26-23(32)17-5-3-6-17/h9-10,13-14,16-17H,3-8,11-12H2,1-2H3,(H,26,32)(H2,25,27,28,29)","YQQIVRZPQZTHDO-UHFFFAOYSA-N",null,90]
[22890,"7akd_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401906","Fc1cccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)c1","InChI=1S/C21H26FN5O/c22-16-6-2-7-17(12-16)26-21-25-13-18(14-8-9-14)19(27-21)23-10-3-11-24-20(28)15-4-1-5-15/h2,6-7,12-15H,1,3-5,8-11H2,(H,24,28)(H2,23,25,26,27)","URECOWLJWSLQCN-UHFFFAOYSA-N",null,1300]
[22904,"7byr_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401921","Cn1ncc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C23H29N7O/c1-30-20-9-8-18(12-17(20)13-27-30)28-23-26-14-19(15-6-7-15)21(29-23)24-10-3-11-25-22(31)16-4-2-5-16/h8-9,12-16H,2-7,10-11H2,1H3,(H,25,31)(H2,24,26,28,29)","ZWBYSALZHQDDEL-UHFFFAOYSA-N",null,380]
[22923,"7klh_E",0.3,"Spike glycoprotein","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25466","CC(=O)Nc1cc2C(=O)c3ccccc3-c2cc1[N+]([O-])=O","InChI=1S/C15H10N2O4/c1-8(18)16-13-6-12-11(7-14(13)17(20)21)9-4-2-3-5-10(9)15(12)19/h2-7H,1H3,(H,16,18)","NKZAKQSPBYLXCN-UHFFFAOYSA-N",null,null,31790,{"$nulls":3},"07:05:00","30.00 C"]
[22935,"7klh_E",0.3,"Spike glycoprotein","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50173286","CNC(=O)NC(N)=NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",17]
[22956,"7klh_E",0.3,"Spike glycoprotein","Endochitinase B1 [T138A]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,65000]
[22973,"7klh_F",0.3,"Spike glycoprotein","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25460","OC(=O)CS(=O)c1ccc2-c3ccccc3C(=O)c3cccc1c23","InChI=1S/C19H12O4S/c20-17(21)10-24(23)16-9-8-12-11-4-1-2-5-13(11)19(22)15-7-3-6-14(16)18(12)15/h1-9H,10H2,(H,20,21)","WUJCZHVABXHBKL-UHFFFAOYSA-N",null,null,180350,{"$nulls":3},"07:05:00","30.00 C"]
[22984,"7klh_F",0.3,"Spike glycoprotein","Endochitinase B1 [E322A]","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,2930]
[23006,"7klh_F",0.3,"Spike glycoprotein","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM81344","CNC(=O)NC(N)=NC","InChI=1S/C4H10N4O/c1-6-3(5)8-4(9)7-2/h1-2H3,(H4,5,6,7,8,9)","KGCIDHJBLPVUNN-UHFFFAOYSA-N",null," 5.00e+5",{"$nulls":4},"05:05:00"]
[23015,"7klh_F",0.3,"Spike glycoprotein","Endochitinase B1 [D175A]","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,3600]
[23039,"7jvb_A",0.3,"Spike protein S1","Endochitinase B1 [E322A]","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,2930]
[23056,"7jvb_A",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,1100,{"$nulls":4},"05:05:00","37.00 C"]
[23064,"7jvb_A",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10849","Cn1cnc2n(C)c(=O)n(C)c(=O)c12","InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3","RYYVLZVUVIJVGH-UHFFFAOYSA-N",null,469000,{"$nulls":4},"05:05:00","37.00 C"]
[23073,"7jvb_A",0.3,"Spike protein S1","Endochitinase B1 [R301K]","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,2160]
[23095,"7cac_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401905","O=C(NCCCNc1nc(Nc2cccc(c2)-c2cnco2)ncc1C1CC1)C1CCC1","InChI=1S/C24H28N6O2/c31-23(17-4-1-5-17)27-11-3-10-26-22-20(16-8-9-16)13-28-24(30-22)29-19-7-2-6-18(12-19)21-14-25-15-32-21/h2,6-7,12-17H,1,3-5,8-11H2,(H,27,31)(H2,26,28,29,30)","DHEGBWHMLXDRTE-UHFFFAOYSA-N",null,560]
[23106,"7kgk_A",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25460","OC(=O)CS(=O)c1ccc2-c3ccccc3C(=O)c3cccc1c23","InChI=1S/C19H12O4S/c20-17(21)10-24(23)16-9-8-12-11-4-1-2-5-13(11)19(22)15-7-3-6-14(16)18(12)15/h1-9H,10H2,(H,20,21)","WUJCZHVABXHBKL-UHFFFAOYSA-N",null,null,180350,{"$nulls":3},7.5,"30.00 C"]
[23127,"7kgk_A",0.3,"Spike protein S1","Endochitinase B1 [Y245F]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,64000]
[23139,"7kgk_A",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM81508","Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12","InChI=1S/C17H20N8O4/c1-20-8-18-12-10(20)14(26)24(16(28)22(12)3)6-5-7-25-15(27)11-13(19-9-21(11)2)23(4)17(25)29/h8-9H,5-7H2,1-4H3","KEPIKAFUZRKZMT-UHFFFAOYSA-N",null,200]
[23156,"7kgk_A",0.3,"Spike protein S1","Endochitinase B1 [A217G]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,77000]
[23175,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM87351","COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12","InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)","XCPGHVQEEXUHNC-UHFFFAOYSA-N",null,">442.94"]
[23189,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM67919","Clc1ccc(COc2ccc(NC(=S)Nc3ccccc3)cc2)c(Cl)c1","InChI=1S/C20H16Cl2N2OS/c21-15-7-6-14(19(22)12-15)13-25-18-10-8-17(9-11-18)24-20(26)23-16-4-2-1-3-5-16/h1-12H,13H2,(H2,23,24,26)","HUJNAXQVFZTBDR-UHFFFAOYSA-N",null,1386]
[23207,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM63301","Cc1cc(C(=O)COc2ccc(C)nc2[N+]([O-])=O)c(C)n1-c1ccccc1","InChI=1S/C20H19N3O4/c1-13-9-10-19(20(21-13)23(25)26)27-12-18(24)17-11-14(2)22(15(17)3)16-7-5-4-6-8-16/h4-11H,12H2,1-3H3","XXLYGCLVXNLVGO-UHFFFAOYSA-N",null,2458]
[23222,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM42969","CC(=O)CCc1ccc(OC(=O)c2cccnc2)cc1","InChI=1S/C16H15NO3/c1-12(18)4-5-13-6-8-15(9-7-13)20-16(19)14-3-2-10-17-11-14/h2-3,6-11H,4-5H2,1H3","TUCOBDCNZZTFND-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[23239,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM42982","CC(C)OC(=O)CSc1nc2cc3OCOc3cc2cc1C#N","InChI=1S/C16H14N2O4S/c1-9(2)22-15(19)7-23-16-11(6-17)3-10-4-13-14(21-8-20-13)5-12(10)18-16/h3-5,9H,7-8H2,1-2H3","JQGRFEXKKGQFJN-UHFFFAOYSA-N",{"$nulls":3},18260]
[23255,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM42998","COc1ccc(cc1)C(=O)Nc1cc(C)c2c(n1)c1ccccc1oc2=O","InChI=1S/C21H16N2O4/c1-12-11-17(23-20(24)13-7-9-14(26-2)10-8-13)22-19-15-5-3-4-6-16(15)27-21(25)18(12)19/h3-11H,1-2H3,(H,22,23,24)","GZJBSCBHENRIDX-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[23272,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM43013","COc1ccc(cc1)-c1cc(-c2cccs2)c(C#N)c(SCC(=O)NCc2ccccc2)n1","InChI=1S/C26H21N3O2S2/c1-31-20-11-9-19(10-12-20)23-14-21(24-8-5-13-32-24)22(15-27)26(29-23)33-17-25(30)28-16-18-6-3-2-4-7-18/h2-14H,16-17H2,1H3,(H,28,30)","VBQGDNHDZHBCOX-UHFFFAOYSA-N",{"$nulls":3},22210]
[23287,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM43026","COc1ccccc1CN(C)C(=O)c1ccc2SCC(=O)Nc2c1","InChI=1S/C18H18N2O3S/c1-20(10-13-5-3-4-6-15(13)23-2)18(22)12-7-8-16-14(9-12)19-17(21)11-24-16/h3-9H,10-11H2,1-2H3,(H,19,21)","AKONEQCRPLXHMJ-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[23305,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM43042","O=C(CSc1nc(ccc1C#N)-c1ccccc1)c1cc2ccccc2oc1=O","InChI=1S/C23H14N2O3S/c24-13-17-10-11-19(15-6-2-1-3-7-15)25-22(17)29-14-20(26)18-12-16-8-4-5-9-21(16)28-23(18)27/h1-12H,14H2","PSHLFTMJJZRDTR-UHFFFAOYSA-N",{"$nulls":3},16350]
[23306,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM43043","COc1cc(cc(OC)c1OC(=O)c1cc(c(C)c(c1)[N+]([O-])=O)[N+]([O-])=O)C(=S)N1CCOCC1","InChI=1S/C21H21N3O9S/c1-12-15(23(26)27)8-14(9-16(12)24(28)29)21(25)33-19-17(30-2)10-13(11-18(19)31-3)20(34)22-4-6-32-7-5-22/h8-11H,4-7H2,1-3H3","AYMMYZDHJQLGIS-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[23335,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM43071","Clc1ccc(cc1)-n1c(=O)[nH]c2nc(SCc3ccccc3)ncc2c1=O","InChI=1S/C19H13ClN4O2S/c20-13-6-8-14(9-7-13)24-17(25)15-10-21-18(22-16(15)23-19(24)26)27-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,21,22,23,26)","ALZFOIACKVOXID-UHFFFAOYSA-N",{"$nulls":3},35580]
[23339,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM43189","CCOc1ccc(cc1)-c1csc(NNC2=NCCCCC2)n1","InChI=1S/C17H22N4OS/c1-2-22-14-9-7-13(8-10-14)15-12-23-17(19-15)21-20-16-6-4-3-5-11-18-16/h7-10,12H,2-6,11H2,1H3,(H,18,20)(H,19,21)","VVISRYPDKTXOMY-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[23367,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM43090","CCOCCn1c2ccc(cc2s\\c1=N/C(=O)c1cc(Cl)sc1Cl)S(N)(=O)=O","InChI=1S/C16H15Cl2N3O4S3/c1-2-25-6-5-21-11-4-3-9(28(19,23)24)7-12(11)26-16(21)20-15(22)10-8-13(17)27-14(10)18/h3-4,7-8H,2,5-6H2,1H3,(H2,19,23,24)/b20-16-","RWTJBAJUMGQDBV-SILNSSARSA-N",{"$nulls":3},16780]
[23372,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM43095","CN1C(=S)N(C)\\C(=C/c2cc(C)n(C3CC3)c2C)C1=O","InChI=1S/C15H19N3OS/c1-9-7-11(10(2)18(9)12-5-6-12)8-13-14(19)17(4)15(20)16(13)3/h7-8,12H,5-6H2,1-4H3/b13-8-","JXIHJHXQVDFVFD-JYRVWZFOSA-N",{"$nulls":3},">79370"]
[23384,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM43107","CC(C)NC(=O)NC(=O)CSc1ccccc1F","InChI=1S/C12H15FN2O2S/c1-8(2)14-12(17)15-11(16)7-18-10-6-4-3-5-9(10)13/h3-6,8H,7H2,1-2H3,(H2,14,15,16,17)","XTOYIWRVZFGVQX-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[23405,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM43127","CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3cccs3)cc2)s1","InChI=1S/C18H17N5O3S4/c1-2-16-21-22-18(29-16)23-30(25,26)14-8-5-12(6-9-14)19-17(27)20-15(24)10-7-13-4-3-11-28-13/h3-11H,2H2,1H3,(H,22,23)(H2,19,20,24,27)","WTPRTNHBCHQUHY-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[23422,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM43143","Cn1c2ncn(CCN=C3CCCCCN3)c2c(=O)n(C)c1=O","InChI=1S/C15H22N6O2/c1-19-13-12(14(22)20(2)15(19)23)21(10-18-13)9-8-17-11-6-4-3-5-7-16-11/h10H,3-9H2,1-2H3,(H,16,17)","QDNUXYCWZSDOGV-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[23432,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM43153","Cc1ccccc1CC1(CO)CCCN(C1)C(=O)CCC(=O)c1ccccc1","InChI=1S/C24H29NO3/c1-19-8-5-6-11-21(19)16-24(18-26)14-7-15-25(17-24)23(28)13-12-22(27)20-9-3-2-4-10-20/h2-6,8-11,26H,7,12-18H2,1H3","WYXXYPABNSUMTN-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[23455,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM43176","Fc1ccc(cc1)C(=O)Nc1nc(nc2ccccc12)-c1ccccc1","InChI=1S/C21H14FN3O/c22-16-12-10-15(11-13-16)21(26)25-20-17-8-4-5-9-18(17)23-19(24-20)14-6-2-1-3-7-14/h1-13H,(H,23,24,25,26)","MYESLFCLAFQWQU-UHFFFAOYSA-N",{"$nulls":3},22960]
[23463,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM43184","Brc1ccc(cc1)-c1csc(N=NCc2ccco2)n1","InChI=1S/C14H10BrN3OS/c15-11-5-3-10(4-6-11)13-9-20-14(17-13)18-16-8-12-2-1-7-19-12/h1-7,9H,8H2","BZRGJDDJAGCDDR-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[23488,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM3993","CCOC(=O)c1cccc2C(N=O)c3ccccc3-c12","InChI=1S/C16H13NO3/c1-2-20-16(18)13-9-5-8-12-14(13)10-6-3-4-7-11(10)15(12)17-19/h3-9,15H,2H2,1H3","MJNHOAHIKLTUHL-UHFFFAOYSA-N",null,3729]
[23505,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM65144","COc1cccc(CN=Nc2cc(ncn2)-n2nc(C)cc2-c2ccccc2)c1O","InChI=1S/C22H20N6O2/c1-15-11-18(16-7-4-3-5-8-16)28(27-15)21-12-20(23-14-24-21)26-25-13-17-9-6-10-19(30-2)22(17)29/h3-12,14,29H,13H2,1-2H3","FPFLBRPNKRMIRY-UHFFFAOYSA-N",null,4116]
[23512,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM87343","CN(C)c1ccc(CNC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)cc1","InChI=1S/C17H22BrN5O3S/c1-23(2)14-5-3-12(4-6-14)10-20-16(24)7-8-22-27(25,26)15-9-13(18)11-21-17(15)19/h3-6,9,11,22H,7-8,10H2,1-2H3,(H2,19,21)(H,20,24)","YKNBSNHMLAKGNJ-UHFFFAOYSA-N",null,4337]
[23538,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM87295","COc1ccc(Nc2ccncc2[N+]([O-])=O)cc1","InChI=1S/C12H11N3O3/c1-18-10-4-2-9(3-5-10)14-11-6-7-13-8-12(11)15(16)17/h2-8H,1H3,(H,13,14)","OMEVNEQOORPVLT-UHFFFAOYSA-N",null,5316]
[23543,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM5209","OCCC(=Cc1ccccc1)C(=O)NN=Cc1ccccc1O","InChI=1S/C18H18N2O3/c21-11-10-15(12-14-6-2-1-3-7-14)18(23)20-19-13-16-8-4-5-9-17(16)22/h1-9,12-13,21-22H,10-11H2,(H,20,23)","VAKTYADCYHVMJR-UHFFFAOYSA-N",null,5522]
[23555,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM87256","O=C(N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1)c1ccncc1","InChI=1S/C22H23N3O2/c26-21-18(14-17-6-4-5-9-20(17)24-21)15-25(19-7-2-1-3-8-19)22(27)16-10-12-23-13-11-16/h4-6,9-14,19H,1-3,7-8,15H2,(H,24,26)","JUVPAEJFLLWYII-UHFFFAOYSA-N",null,5822]
[23575,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM78750","O=C(NC(=S)Nc1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1)c1cccs1","InChI=1S/C23H22N4O2S2/c28-21(20-7-4-16-31-20)25-23(30)24-18-8-10-19(11-9-18)26-12-14-27(15-13-26)22(29)17-5-2-1-3-6-17/h1-11,16H,12-15H2,(H2,24,25,28,30)","MBXIITSIAZATMT-UHFFFAOYSA-N",null,7013]
[23588,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM87255","COc1cc(CNC(C)=C2C(=O)NC(=O)N(CC=C)C2=O)cc(OC)c1","InChI=1S/C18H21N3O5/c1-5-6-21-17(23)15(16(22)20-18(21)24)11(2)19-10-12-7-13(25-3)9-14(8-12)26-4/h5,7-9,19H,1,6,10H2,2-4H3,(H,20,22,24)","AHTJFPVCZKLMIE-UHFFFAOYSA-N",null,7729]
[23605,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM54960","C(c1cccs1)c1nn2c(nnc2s1)-c1ccncc1","InChI=1S/C13H9N5S2/c1-2-10(19-7-1)8-11-17-18-12(15-16-13(18)20-11)9-3-5-14-6-4-9/h1-7H,8H2","SNWGXXRJYSNHPG-UHFFFAOYSA-N",null,8114]
[23623,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM87284","COc1cc(cc(OC)c1OC)C(=O)N\\N=C(/c1ccccc1)c1ccccn1","InChI=1S/C22H21N3O4/c1-27-18-13-16(14-19(28-2)21(18)29-3)22(26)25-24-20(15-9-5-4-6-10-15)17-11-7-8-12-23-17/h4-14H,1-3H3,(H,25,26)/b24-20+","BMBLOFIHDPHYHB-HIXSDJFHSA-N",null,9582]
[23638,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM87272","COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2cc(ccc2C)[N+]([O-])=O)S(C)(=O)=O)cc1","InChI=1S/C24H26N4O8S2/c1-16-5-12-23(36-3)21(13-16)26-38(34,35)20-10-7-18(8-11-20)25-24(29)15-27(37(4,32)33)22-14-19(28(30)31)9-6-17(22)2/h5-14,26H,15H2,1-4H3,(H,25,29)","AIHXAEAQXONHQA-UHFFFAOYSA-N",null,10901]
[23655,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM48261","Cc1ccc(cc1)C(=O)Nc1cnc2ccccc2c1","InChI=1S/C17H14N2O/c1-12-6-8-13(9-7-12)17(20)19-15-10-14-4-2-3-5-16(14)18-11-15/h2-11H,1H3,(H,19,20)","GPHWKSMAPBOQQE-UHFFFAOYSA-N",null,12027]
[23671,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM87258","CCN(c1cccc(C)c1)c1ncnc2nc[nH]c12","InChI=1S/C14H15N5/c1-3-19(11-6-4-5-10(2)7-11)14-12-13(16-8-15-12)17-9-18-14/h4-9H,3H2,1-2H3,(H,15,16,17,18)","CTDXEWJCWVGZDJ-UHFFFAOYSA-N",null,15548]
[23688,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM5373","CC(=O)Oc1ccc(\\C=N\\NC(=O)COc2ccccc2CC=C)c(OC(C)=O)c1","InChI=1S/C22H22N2O6/c1-4-7-17-8-5-6-9-20(17)28-14-22(27)24-23-13-18-10-11-19(29-15(2)25)12-21(18)30-16(3)26/h4-6,8-13H,1,7,14H2,2-3H3,(H,24,27)/b23-13+","ZEXKFKBEVSHKSG-YDZHTSKRSA-N",null,22393]
[23703,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM54258","Cc1cccc(CN2CCN(CC2)C(=O)CCl)c1","InChI=1S/C14H19ClN2O/c1-12-3-2-4-13(9-12)11-16-5-7-17(8-6-16)14(18)10-15/h2-4,9H,5-8,10-11H2,1H3","DVBSBXBABNLMIS-UHFFFAOYSA-N",null,">35855"]
[23721,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM87297","Cc1c(cnn1-c1ccccc1)C(=O)C1C(N(Cc2cccnc2)C(=O)C1=O)c1ccccn1","InChI=1S/C26H21N5O3/c1-17-20(15-29-31(17)19-9-3-2-4-10-19)24(32)22-23(21-11-5-6-13-28-21)30(26(34)25(22)33)16-18-8-7-12-27-14-18/h2-15,22-23H,16H2,1H3","IAKDJAAWLQFXMV-UHFFFAOYSA-N",null,">35868"]
[23735,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM87287","CC(=NNC(=S)Nc1cc(ccc1Cl)S(=O)(=O)N1CCOCC1)c1ccccc1F","InChI=1S/C19H20ClFN4O3S2/c1-13(15-4-2-3-5-17(15)21)23-24-19(29)22-18-12-14(6-7-16(18)20)30(26,27)25-8-10-28-11-9-25/h2-7,12H,8-11H2,1H3,(H2,22,24,29)","LNBQYOKQPQNOKD-UHFFFAOYSA-N",null,">35873"]
[23754,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM87301","Cc1c(Cl)cccc1NC(=O)Nc1ccccc1C(N)=O","InChI=1S/C15H14ClN3O2/c1-9-11(16)6-4-8-12(9)18-15(21)19-13-7-3-2-5-10(13)14(17)20/h2-8H,1H3,(H2,17,20)(H2,18,19,21)","JQAZDGAULUIAPN-UHFFFAOYSA-N",null,">35892"]
[23771,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM42893","COc1ccc(cc1)C(=O)CSc1nnc(o1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1","InChI=1S/C21H21N3O6S2/c1-28-17-6-2-15(3-7-17)19(25)14-31-21-23-22-20(30-21)16-4-8-18(9-5-16)32(26,27)24-10-12-29-13-11-24/h2-9H,10-14H2,1H3","GCVYZHGAXLCENR-UHFFFAOYSA-N",{"$nulls":3},53530]
[23783,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM37375","CC1CCc2c(C1)sc1nc(SCC(=O)NCc3ccco3)nc(N)c21","InChI=1S/C18H20N4O2S2/c1-10-4-5-12-13(7-10)26-17-15(12)16(19)21-18(22-17)25-9-14(23)20-8-11-3-2-6-24-11/h2-3,6,10H,4-5,7-9H2,1H3,(H,20,23)(H2,19,21,22)","WZEUPCWHMOQZLM-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[23804,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM42918","CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)CNC(=O)C2CCCCC2)c1C","InChI=1S/C20H28N2O6/c1-4-27-20(26)17-12(2)18(22-13(17)3)15(23)11-28-16(24)10-21-19(25)14-8-6-5-7-9-14/h14,22H,4-11H2,1-3H3,(H,21,25)","FLINXCJGKNURNZ-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[23815,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM42928","Clc1ccc2[nH]c(=S)[nH]c2c1","InChI=1S/C7H5ClN2S/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,9,10,11)","ZZIHEYOZBRPWMB-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[23821,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM42934","Fc1ccccc1Cn1nnc2c(SCC(=O)N3CCN(CC3)c3ccccc3)ncnc12","InChI=1S/C23H22FN7OS/c24-19-9-5-4-6-17(19)14-31-22-21(27-28-31)23(26-16-25-22)33-15-20(32)30-12-10-29(11-13-30)18-7-2-1-3-8-18/h1-9,16H,10-15H2","ZLQJGQJKHNBZBN-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[23847,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM34467","O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(cc1)-c1nc2ccccc2o1","InChI=1S/C24H17N3O4/c28-21(13-14-27-23(29)17-5-1-2-6-18(17)24(27)30)25-16-11-9-15(10-12-16)22-26-19-7-3-4-8-20(19)31-22/h1-12H,13-14H2,(H,25,28)","RMMPUMKKUNAADO-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[23854,"7nxc_B",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM42958","COc1ccccc1C(=O)Nc1ccccn1","InChI=1S/C13H12N2O2/c1-17-11-7-3-2-6-10(11)13(16)15-12-8-4-5-9-14-12/h2-9H,1H3,(H,14,15,16)","FHPWTYWEPNEAQY-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[23871,"6vyb_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305352","C[C@H](CN)O[C@@H](Cc1cn(cn1)-c1ccccc1)C(O)=O","InChI=1S/C15H19N3O3/c1-11(8-16)21-14(15(19)20)7-12-9-18(10-17-12)13-5-3-2-4-6-13/h2-6,9-11,14H,7-8,16H2,1H3,(H,19,20)/t11-,14+/m1/s1","MAWYISWEMHTKMO-RISCZKNCSA-N"," 7.5"]
[23895,"6vyb_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305354","CCCn1cnc(C[C@@H](OCCN)C(O)=O)c1","InChI=1S/C11H19N3O3/c1-2-4-14-7-9(13-8-14)6-10(11(15)16)17-5-3-12/h7-8,10H,2-6,12H2,1H3,(H,15,16)/t10-/m1/s1","JAMWMFGAEKLEEJ-SNVBAGLBSA-N",">1000"]
[23904,"6vyb_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81904","O=C(Cn1nnc(n1)-c1cccs1)N1CCc2ccccc2C1","InChI=1S/C16H15N5OS/c22-15(20-8-7-12-4-1-2-5-13(12)10-20)11-21-18-16(17-19-21)14-6-3-9-23-14/h1-6,9H,7-8,10-11H2","TWSRTYYHXLBOCX-UHFFFAOYSA-N"," 3.2e+4"]
[23927,"6vyb_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395736","CCOC(=O)C(CCCCCN)C[Se]C(=O)CC","InChI=1S/C13H25NO3Se/c1-3-12(15)18-10-11(13(16)17-4-2)8-6-5-7-9-14/h11H,3-10,14H2,1-2H3","BOAPBPBQRLRKGC-UHFFFAOYSA-N",null,3]
[23937,"6vyb_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395734","NCCCCCC(C[Se]C(=O)CCCc1ccccc1)C(O)=O","InChI=1S/C18H27NO3Se/c19-13-6-2-5-11-16(18(21)22)14-23-17(20)12-7-10-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14,19H2,(H,21,22)","KMMJFXKNWGNVOX-UHFFFAOYSA-N",null," 4.1"]
[23954,"6vyb_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109256","CC1(C)CCCC(C1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C17H29N3O2/c1-17(2)7-3-6-15(10-17)20-11-14(19-12-20)9-13(16(21)22)5-4-8-18/h11-13,15H,3-10,18H2,1-2H3,(H,21,22)","ILWZFIDDSWMJSL-UHFFFAOYSA-N",null," 7.5"]
[23975,"6vyb_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089750","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C24H42N4O4/c1-23(2)16-10-11-24(23,3)14-19(16)26-20(29)18(13-15-7-6-8-15)28-22(32)27-17(21(30)31)9-4-5-12-25/h15-19H,4-14,25H2,1-3H3,(H,26,29)(H,30,31)(H2,27,28,32)/t16?,17-,18+,19?,24?/m0/s1","IUEFDVNIRHIKQG-CVYVEZKBSA-N",null," 9.0"]
[23987,"6vyb_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326398","CC[C@H](CN)C[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccc1","InChI=1S/C18H23N3O2/c1-2-13(10-19)8-14-9-18(14,17(22)23)16-11-21(12-20-16)15-6-4-3-5-7-15/h3-7,11-14H,2,8-10,19H2,1H3,(H,22,23)/t13-,14-,18+/m0/s1","AUTWIRMPGHMXAD-SUNYJGFJSA-N",null," 12.0"]
[24006,"6vyb_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326384","Cc1ccc(nc1)-n1cnc(c1)C1(CC1CCCN)C(O)=O","InChI=1S/C16H20N4O2/c1-11-4-5-14(18-8-11)20-9-13(19-10-20)16(15(21)22)7-12(16)3-2-6-17/h4-5,8-10,12H,2-3,6-7,17H2,1H3,(H,21,22)","ZPFMNMNWJGHXRK-UHFFFAOYSA-N",null," 18.0"]
[24020,"6vyb_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109255","C[C@H]1CC[C@@H](CC1)n1cnc(CC(N2CC[C@H](N)C2)C(O)=O)c1","InChI=1S/C17H28N4O2/c1-12-2-4-15(5-3-12)21-10-14(19-11-21)8-16(17(22)23)20-7-6-13(18)9-20/h10-13,15-16H,2-9,18H2,1H3,(H,22,23)/t12-,13-,15-,16?/m0/s1","VWNRFOAGDPZBET-ALLFYKQTSA-N",null,21]
[24037,"6vyb_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326375","CC(C)(C)OC(=O)N(CCCC1CC1(C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(cc1)[N+]#[C-])C(=O)OC(C)(C)C","InChI=1S/C31H42N4O6/c1-28(2,3)39-25(36)31(24-19-34(20-33-24)23-15-13-22(32-10)14-16-23)18-21(31)12-11-17-35(26(37)40-29(4,5)6)27(38)41-30(7,8)9/h13-16,19-21H,11-12,17-18H2,1-9H3","FLSIKRXJRXEXHX-UHFFFAOYSA-N",null," 29.0"]
[24040,"6vyb_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089702","NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O","InChI=1S/C26H44N4O4/c27-9-5-4-8-21(24(32)33)28-25(34)29-22(13-17-6-2-1-3-7-17)23(31)30-26-14-18-10-19(15-26)12-20(11-18)16-26/h17-22H,1-16,27H2,(H,30,31)(H,32,33)(H2,28,29,34)/t18?,19?,20?,21-,22+,26?/m0/s1","VKZAQVIYSIRHRU-LJHZMQABSA-N",null,31]
[24054,"6vyb_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089754","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CS(=O)(=O)CCN)C(O)=O","InChI=1S/C25H44N4O6S/c1-24(2)17-9-10-25(24,3)14-19(17)27-21(30)18(13-16-7-5-4-6-8-16)28-23(33)29-20(22(31)32)15-36(34,35)12-11-26/h16-20H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)(H2,28,29,33)/t17?,18-,19?,20+,25?/m1/s1","NMYGKFJQKUMIDO-IFVPPNBGSA-N",null,38]
[24071,"6vyb_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50547478","CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccc(NC(=O)c3coc1n3)cc2)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C24H32N6O6/c1-13(2)19-22-27-18(12-36-22)21(32)26-15-8-6-14(7-9-15)11-17(20(31)30-19)29-24(35)28-16(23(33)34)5-3-4-10-25/h6-9,12-13,16-17,19H,3-5,10-11,25H2,1-2H3,(H,26,32)(H,30,31)(H,33,34)(H2,28,29,35)/t16-,17+,19-/m0/s1","YGCAFIQDVRSRNM-SCTDSRPQSA-N",null,52]
[24087,"6vyb_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173897","NCCCC[C@H](NC(=O)N[C@@H]1Cc2ccc(OCCCCOC[C@@H](NC1=O)c1ccccc1)cc2)C(O)=O","InChI=1S/C28H38N4O6/c29-15-5-4-10-23(27(34)35)31-28(36)32-24-18-20-11-13-22(14-12-20)38-17-7-6-16-37-19-25(30-26(24)33)21-8-2-1-3-9-21/h1-3,8-9,11-14,23-25H,4-7,10,15-19,29H2,(H,30,33)(H,34,35)(H2,31,32,36)/t23-,24+,25+/m0/s1","WBXDQFAEOODUOF-ISJGIBHGSA-N",null,71,{"$nulls":4},"07:04:00","25.00 C"]
[24103,"6vyb_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109259","C[C@@H](CN)C[C@H](Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O","InChI=1S/C17H29N3O2/c1-12-3-5-16(6-4-12)20-10-15(19-11-20)8-14(17(21)22)7-13(2)9-18/h10-14,16H,3-9,18H2,1-2H3,(H,21,22)/t12-,13-,14-,16-/m1/s1","OMGSNJPCQBNRPB-IXYNUQLISA-N",null,">1.0e+2"]
[24120,"6vyb_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197578","C[C@H]1[C@@H]2C[C@H](C[C@@H]1NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C2(C)C","InChI=1S/C25H46N4O5S/c1-16-19-14-18(25(19,2)3)15-21(16)27-23(30)22(13-17-9-5-4-6-10-17)29-35(33,34)28-20(24(31)32)11-7-8-12-26/h16-22,28-29H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)/t16-,18+,19-,20-,21-,22-/m0/s1","CVNHXUCHQVVMEP-QOLIXYQJSA-N",null,130]
[24137,"6vyb_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197555","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C22H40N4O5S/c1-21(2)15-9-10-22(21,3)18(13-15)24-19(27)17(12-14-7-8-14)26-32(30,31)25-16(20(28)29)6-4-5-11-23/h14-18,25-26H,4-13,23H2,1-3H3,(H,24,27)(H,28,29)/t15-,16+,17+,18+,22+/m1/s1","NMXBBBBKSIKPCR-JVOBEXOSSA-N",null,230]
[24151,"6vyb_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008269","C[C@@H](S)[C@@H](Cc1ccc(N)nc1)C(O)=O","InChI=1S/C10H14N2O2S/c1-6(15)8(10(13)14)4-7-2-3-9(11)12-5-7/h2-3,5-6,8,15H,4H2,1H3,(H2,11,12)(H,13,14)/t6-,8-/m1/s1","GYIYAOUGKJSCCG-HTRCEHHLSA-N",null,400]
[24170,"6vyb_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575759","NCCCCC1(CN(Cc2cccc(Cl)c2)CCP1(O)=O)C(O)=O","InChI=1S/C16H24ClN2O4P/c17-14-5-3-4-13(10-14)11-19-8-9-24(22,23)16(12-19,15(20)21)6-1-2-7-18/h3-5,10H,1-2,6-9,11-12,18H2,(H,20,21)(H,22,23)","CYMKCJYHJMQMBX-UHFFFAOYSA-N",null,750]
[24183,"6vyb_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197531","CC12CC3CC(C)(C1)CC(C3)(C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C27H48N4O5S/c1-25-13-20-14-26(2,16-25)18-27(15-20,17-25)29-23(32)22(12-19-8-4-3-5-9-19)31-37(35,36)30-21(24(33)34)10-6-7-11-28/h19-22,30-31H,3-18,28H2,1-2H3,(H,29,32)(H,33,34)/t20?,21-,22-,25?,26?,27?/m0/s1","CZSZMCHTTSACDU-SQFQGINYSA-N",null,1100]
[24203,"6vyb_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575734","OC(=O)C(F)(F)F.NCCCCCC1(CCCCCP1(O)=O)C(O)=O","InChI=1S/C12H24NO4P.C2HF3O2/c13-9-5-1-3-7-12(11(14)15)8-4-2-6-10-18(12,16)17;3-2(4,5)1(6)7/h1-10,13H2,(H,14,15)(H,16,17);(H,6,7)","QMULMHHDRFZRDX-UHFFFAOYSA-N",null,1800]
[24220,"6vyb_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226610","CCCn1cnc(C[C@H](CCCN)C(O)=O)c1","InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s1","OTDGPKRCQXSTPV-JTQLQIEISA-N",null,5000]
[24231,"6vyb_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144321","NCCCC(C(O)=O)c1cnc[nH]1","InChI=1S/C8H13N3O2/c9-3-1-2-6(8(12)13)7-4-10-5-11-7/h4-6H,1-3,9H2,(H,10,11)(H,12,13)","BSUQXFIQHAIGHA-UHFFFAOYSA-N",null,6800]
[24253,"6vyb_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144328","OC(=O)C(CC1CNC1)c1cnc[nH]1","InChI=1S/C9H13N3O2/c13-9(14)7(1-6-2-10-3-6)8-4-11-5-12-8/h4-7,10H,1-3H2,(H,11,12)(H,13,14)","QOPLLDRZVJKFKZ-UHFFFAOYSA-N",null,">20000"]
[24263,"6vyb_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197577","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1ccccc1)C(O)=O","InChI=1S/C28H43N3O5S/c1-27(2)21-14-15-28(27,3)24(18-21)29-25(32)22(16-19-10-6-4-7-11-19)30-37(35,36)31-23(26(33)34)17-20-12-8-5-9-13-20/h5,8-9,12-13,19,21-24,30-31H,4,6-7,10-11,14-18H2,1-3H3,(H,29,32)(H,33,34)/t21-,22+,23+,24+,28+/m1/s1","KJDYVYATVMPQOW-HOZMCVABSA-N",null,24000]
[24286,"6vyb_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197530","CN(C)CCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C)C(O)=O","InChI=1S/C27H50N4O5S/c1-26(2)20-14-15-27(26,3)23(18-20)28-24(32)22(17-19-11-7-6-8-12-19)30-37(35,36)29-21(25(33)34)13-9-10-16-31(4)5/h19-23,29-30H,6-18H2,1-5H3,(H,28,32)(H,33,34)/t20-,21+,22+,23+,27+/m1/s1","DCLUNENWFFCBQD-BXOWXZKISA-N",null,44000]
[24295,"6vyb_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401900","O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30)","CJPMSUUANYLPET-UHFFFAOYSA-N",null,58]
[24303,"6vyb_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401899","Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25)","YOFJPZPGHXWQJB-UHFFFAOYSA-N",null,170]
[24320,"6vyb_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201438","NC(N)=NCCCC(CS)C(O)=O","InChI=1S/C7H15N3O2S/c8-7(9)10-3-1-2-5(4-13)6(11)12/h5,13H,1-4H2,(H,11,12)(H4,8,9,10)","JOVIPJZDTSYNNW-UHFFFAOYSA-N",4]
[24343,"6vyb_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226603","NCCCC(CS)C(O)=O","InChI=1S/C6H13NO2S/c7-3-1-2-5(4-10)6(8)9/h5,10H,1-4,7H2,(H,8,9)","IKYCTNVIQZAWIB-UHFFFAOYSA-N",300]
[24353,"6vyb_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81911","COC(=O)c1ccccc1NC(=S)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O","InChI=1S/C25H23N3O4S/c1-16-7-5-8-17-13-18(23(29)27-22(16)17)14-28(15-19-9-6-12-32-19)25(33)26-21-11-4-3-10-20(21)24(30)31-2/h3-13H,14-15H2,1-2H3,(H,26,33)(H,27,29)","FMEZNJBXBHDEHR-UHFFFAOYSA-N"," 1.33e+4"]
[24375,"6vyb_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395730","Nc1ncc(CC(C[Se][Se]CC(Cc2cnc(N)c(Cl)c2)C(O)=O)C(O)=O)cc1Cl","InChI=1S/C18H20Cl2N4O4Se2/c19-13-3-9(5-23-15(13)21)1-11(17(25)26)7-29-30-8-12(18(27)28)2-10-4-14(20)16(22)24-6-10/h3-6,11-12H,1-2,7-8H2,(H2,21,23)(H2,22,24)(H,25,26)(H,27,28)","LKLRNWHRLUKWFJ-UHFFFAOYSA-N",null," 2.5"]
[24386,"6vyb_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089756","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCNC(N)=N)C(O)=O","InChI=1S/C26H46N6O4/c1-25(2)17-11-12-26(25,3)15-20(17)30-21(33)19(14-16-8-5-4-6-9-16)32-24(36)31-18(22(34)35)10-7-13-29-23(27)28/h16-20H,4-15H2,1-3H3,(H,30,33)(H,34,35)(H4,27,28,29)(H2,31,32,36)/t17?,18-,19+,20?,26?/m0/s1","FRONFJPZPPGYAX-WKCFZQPLSA-N",null," 4.0"]
[24403,"6vyb_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089691","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C26H46N4O4/c1-25(2)18-12-13-26(25,3)16-21(18)28-22(31)20(15-17-9-5-4-6-10-17)30-24(34)29-19(23(32)33)11-7-8-14-27/h17-21H,4-16,27H2,1-3H3,(H,28,31)(H,32,33)(H2,29,30,34)/t18?,19-,20+,21?,26?/m0/s1","MARJTHQRTDYWGB-HPIYHLJDSA-N",null," 7.0"]
[24423,"6vyb_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173904","CC(C)[C@H]1COCCCCCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C29H48N4O6/c1-21(2)26-20-38-17-9-5-3-4-6-10-18-39-23-14-12-22(13-15-23)19-25(27(34)31-26)33-29(37)32-24(28(35)36)11-7-8-16-30/h12-15,21,24-26H,3-11,16-20,30H2,1-2H3,(H,31,34)(H,35,36)(H2,32,33,37)/t24-,25+,26+/m0/s1","QXXFIOYJSRYYSJ-JIMJEQGWSA-N",null," 8.80",{"$nulls":4},"07:04:00","25.00 C"]
[24436,"6vyb_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575774","NCCCC[C@]1(CN(Cc2ccc(F)cc2-c2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C22H28FN2O4P/c23-19-9-8-18(20(14-19)17-6-2-1-3-7-17)15-25-12-13-30(28,29)22(16-25,21(26)27)10-4-5-11-24/h1-3,6-9,14H,4-5,10-13,15-16,24H2,(H,26,27)(H,28,29)/t22-/m0/s1","MUVQYNFUWURBHA-QFIPXVFZSA-N",null,11]
[24455,"6vyb_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326379","COc1ccc(nc1)-n1cnc(c1)C1(CC1CCCNC(=O)OC(C)(C)C)C#N","InChI=1S/C21H27N5O3/c1-20(2,3)29-19(27)23-9-5-6-15-10-21(15,13-22)17-12-26(14-25-17)18-8-7-16(28-4)11-24-18/h7-8,11-12,14-15H,5-6,9-10H2,1-4H3,(H,23,27)","QELFMTDIVROIAE-UHFFFAOYSA-N",null," 16.0"]
[24469,"6vyb_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326350","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(F)cc1","InChI=1S/C27H36FN3O6/c1-25(2,3)36-23(33)31(24(34)37-26(4,5)6)14-8-9-18-15-27(18,22(32)35-7)21-16-30(17-29-21)20-12-10-19(28)11-13-20/h10-13,16-18H,8-9,14-15H2,1-7H3","MBMPZGJMHDYWBV-UHFFFAOYSA-N",null," 21.0"]
[24486,"6vyb_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326341","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccccc1","InChI=1S/C27H37N3O6/c1-25(2,3)35-23(32)30(24(33)36-26(4,5)6)15-11-12-19-16-27(19,22(31)34-7)21-17-29(18-28-21)20-13-9-8-10-14-20/h8-10,13-14,17-19H,11-12,15-16H2,1-7H3","UJVDFWJVJPJVJK-UHFFFAOYSA-N",null," 27.0"]
[24503,"6vyb_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135940","CCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O","InChI=1S/C13H16N4O2/c1-2-17-7-11(16-8-17)10(13(18)19)5-9-3-4-12(14)15-6-9/h3-4,6-8,10H,2,5H2,1H3,(H2,14,15)(H,18,19)","HWISMQLAUIIGRF-UHFFFAOYSA-N",null,36]
[24519,"6vyb_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173900","CCC[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C25H40N4O6/c1-2-7-19-17-34-14-5-6-15-35-20-11-9-18(10-12-20)16-22(23(30)27-19)29-25(33)28-21(24(31)32)8-3-4-13-26/h9-12,19,21-22H,2-8,13-17,26H2,1H3,(H,27,30)(H,31,32)(H2,28,29,33)/t19-,21-,22+/m0/s1","MUSDITPAESWTFE-ILWGZMRPSA-N",null,49,{"$nulls":4},"07:04:00","25.00 C"]
[24534,"6vyb_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326380","CC(C)(C)OC(=O)NCCCC1CC1(C#N)c1cn(cn1)-c1ccc(Cl)cn1","InChI=1S/C20H24ClN5O2/c1-19(2,3)28-18(27)23-8-4-5-14-9-20(14,12-22)16-11-26(13-25-16)17-7-6-15(21)10-24-17/h6-7,10-11,13-14H,4-5,8-9H2,1-3H3,(H,23,27)","IUDMMFRBQQBMGJ-UHFFFAOYSA-N",null," 63.0"]
[24552,"6vyb_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326362","COC(=O)[C@@]1(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(CCC(C)(C)C)cn1","InChI=1S/C27H45N3O6/c1-24(2,3)13-15-29-17-20(28-18-29)27(21(31)34-10)16-19(27)12-11-14-30(22(32)35-25(4,5)6)23(33)36-26(7,8)9/h17-19H,11-16H2,1-10H3/t19-,27+/m0/s1","XFYXHUURPYELSU-UZTOHYMASA-N",null,">100.0"]
[24566,"6vyb_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008273","NCCC[C@]1(CCc2c(C1)ncn2C1CCCCC1)C(O)=O","InChI=1S/C17H27N3O2/c18-10-4-8-17(16(21)22)9-7-15-14(11-17)19-12-20(15)13-5-2-1-3-6-13/h12-13H,1-11,18H2,(H,21,22)/t17-/m1/s1","HYXCCZTWQBSAJR-QGZVFWFLSA-N",null,117]
[24569,"6vyb_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008275","NCCCC1(CCc2c(C1)ncn2CCC1CCC(CC1)C1CCCCC1)C(O)=O","InChI=1S/C25H41N3O2/c26-15-4-13-25(24(29)30)14-11-23-22(17-25)27-18-28(23)16-12-19-7-9-21(10-8-19)20-5-2-1-3-6-20/h18-21H,1-17,26H2,(H,29,30)","KUVAYHVUNQWSPM-UHFFFAOYSA-N",null,124]
[24586,"6vyb_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197543","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1cccnc1)C(O)=O","InChI=1S/C27H42N4O5S/c1-26(2)20-11-12-27(26,3)23(16-20)29-24(32)21(14-18-8-5-4-6-9-18)30-37(35,36)31-22(25(33)34)15-19-10-7-13-28-17-19/h7,10,13,17-18,20-23,30-31H,4-6,8-9,11-12,14-16H2,1-3H3,(H,29,32)(H,33,34)/t20-,21+,22+,23+,27+/m1/s1","XYTYVEVWWTZSIW-BXOWXZKISA-N",null,200]
[24614,"6vyb_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326394","C[C@@H](CN)C[C@@H]1C[C@@]1(C(O)=O)c1cn(cn1)-c1ccc(C)cn1","InChI=1S/C17H22N4O2/c1-11-3-4-15(19-8-11)21-9-14(20-10-21)17(16(22)23)6-13(17)5-12(2)7-18/h3-4,8-10,12-13H,5-7,18H2,1-2H3,(H,22,23)/t12-,13-,17+/m1/s1","AAEAYCWJPQORII-XNJGSVPQSA-N",null,500]
[24619,"6vyb_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008270","CCCn1cnc(CC(NCCN)C(O)=O)c1","InChI=1S/C11H20N4O2/c1-2-5-15-7-9(14-8-15)6-10(11(16)17)13-4-3-12/h7-8,10,13H,2-6,12H2,1H3,(H,16,17)","UVTMXVBQOPVNHA-UHFFFAOYSA-N",null,620]
[24631,"6vyb_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326369","COC(=O)C1(CC1CC(C)CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(cc1)S(C)(=O)=O","InChI=1S/C29H41N3O8S/c1-19(16-32(25(34)39-27(2,3)4)26(35)40-28(5,6)7)14-20-15-29(20,24(33)38-8)23-17-31(18-30-23)21-10-12-22(13-11-21)41(9,36)37/h10-13,17-20H,14-16H2,1-9H3","GENODDLVKDNANN-UHFFFAOYSA-N",null,930]
[24652,"6vyb_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197544","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1ccncc1)C(O)=O","InChI=1S/C27H42N4O5S/c1-26(2)20-9-12-27(26,3)23(17-20)29-24(32)21(15-18-7-5-4-6-8-18)30-37(35,36)31-22(25(33)34)16-19-10-13-28-14-11-19/h10-11,13-14,18,20-23,30-31H,4-9,12,15-17H2,1-3H3,(H,29,32)(H,33,34)/t20-,21+,22+,23+,27+/m1/s1","HDEKKTYMNZXVPF-BXOWXZKISA-N",null,1700]
[24669,"6vyb_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089746","CC1(C)C2CCC1(C)CC2NC(=O)CNC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C19H34N4O4/c1-18(2)12-7-8-19(18,3)10-14(12)22-15(24)11-21-17(27)23-13(16(25)26)6-4-5-9-20/h12-14H,4-11,20H2,1-3H3,(H,22,24)(H,25,26)(H2,21,23,27)/t12?,13-,14?,19?/m0/s1","YGNRCDSARDVNRZ-NWRIMCLESA-N",null,3700]
[24679,"6vyb_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144339","Cc1nc(N)ccc1CC(C(O)=O)c1cnc[nH]1","InChI=1S/C12H14N4O2/c1-7-8(2-3-11(13)16-7)4-9(12(17)18)10-5-14-6-15-10/h2-3,5-6,9H,4H2,1H3,(H2,13,16)(H,14,15)(H,17,18)","XGTNBKDLXCKTDY-UHFFFAOYSA-N",null,5800]
[24702,"6vyb_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144343","Nc1cccc(CC(C(O)=O)c2cnc[nH]2)n1","InChI=1S/C11H12N4O2/c12-10-3-1-2-7(15-10)4-8(11(16)17)9-5-13-6-14-9/h1-3,5-6,8H,4H2,(H2,12,15)(H,13,14)(H,16,17)","PAWOJNNZSAZPFM-UHFFFAOYSA-N",null,15000]
[24711,"6vyb_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144346","NC1CCCC(CC(C(O)=O)c2cnc[nH]2)C1","InChI=1S/C12H19N3O2/c13-9-3-1-2-8(4-9)5-10(12(16)17)11-6-14-7-15-11/h6-10H,1-5,13H2,(H,14,15)(H,16,17)","IJYXPKYOLPUBTD-UHFFFAOYSA-N",null,">20000"]
[24735,"6vyb_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197551","NCCCC[C@H](NS(=O)(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O","InChI=1S/C18H32N4O5S/c19-4-2-1-3-15(17(24)25)22-28(26,27)20-11-16(23)21-18-8-12-5-13(9-18)7-14(6-12)10-18/h12-15,20,22H,1-11,19H2,(H,21,23)(H,24,25)/t12?,13?,14?,15-,18?/m0/s1","HTKDZHKDQXOVDZ-URZJAHPPSA-N",null,">30000"]
[24752,"6vyb_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401914","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O/c31-22(17-5-3-6-17)25-12-4-11-24-21-20(16-9-10-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-1-2-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BGULRIZNMKERDJ-UHFFFAOYSA-N",null,93]
[24759,"6vyb_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401921","Cn1ncc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C23H29N7O/c1-30-20-9-8-18(12-17(20)13-27-30)28-23-26-14-19(15-6-7-15)21(29-23)24-10-3-11-25-22(31)16-4-2-5-16/h8-9,12-16H,2-7,10-11H2,1H3,(H,25,31)(H2,24,26,28,29)","ZWBYSALZHQDDEL-UHFFFAOYSA-N",null,380]
[24785,"7a93_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401905","O=C(NCCCNc1nc(Nc2cccc(c2)-c2cnco2)ncc1C1CC1)C1CCC1","InChI=1S/C24H28N6O2/c31-23(17-4-1-5-17)27-11-3-10-26-22-20(16-8-9-16)13-28-24(30-22)29-19-7-2-6-18(12-19)21-14-25-15-32-21/h2,6-7,12-17H,1,3-5,8-11H2,(H,27,31)(H2,26,28,29,30)","DHEGBWHMLXDRTE-UHFFFAOYSA-N",null,560]
[24791,"7a93_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401906","Fc1cccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)c1","InChI=1S/C21H26FN5O/c22-16-6-2-7-17(12-16)26-21-25-13-18(14-8-9-14)19(27-21)23-10-3-11-24-20(28)15-4-1-5-15/h2,6-7,12-15H,1,3-5,8-11H2,(H,24,28)(H2,23,25,26,27)","URECOWLJWSLQCN-UHFFFAOYSA-N",null,1300]
[24802,"7kmg_C",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM22858","[O-][N+](=O)c1ccc-2c(c1)C(=O)C(=O)c1ccccc-21","InChI=1S/C14H7NO4/c16-13-11-4-2-1-3-9(11)10-6-5-8(15(18)19)7-12(10)14(13)17/h1-7H","KNAXWOBOCVVMST-UHFFFAOYSA-N",null,null,6810,{"$nulls":3},7.5,"30.00 C"]
[24823,"7kmg_C",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50388141","Cn1cnc2n(C)c(=O)n(CCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12","InChI=1S/C16H18N8O4/c1-19-7-17-11-9(19)13(25)23(15(27)21(11)3)5-6-24-14(26)10-12(18-8-20(10)2)22(4)16(24)28/h7-8H,5-6H2,1-4H3","DHOOHIKQTUGDOW-UHFFFAOYSA-N",null,4800]
[24835,"7kmg_C",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,43000]
[24852,"7kmg_F",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25464","Nc1nc(Sc2ccc([N+]([O-])=O)c3nonc23)c2[nH]cnc2n1","InChI=1S/C11H6N8O3S/c12-11-15-9-8(13-3-14-9)10(16-11)23-5-2-1-4(19(20)21)6-7(5)18-22-17-6/h1-3H,(H3,12,13,14,15,16)","NPXXCZXQTLRXTP-UHFFFAOYSA-N",null,null,15190,{"$nulls":3},7.5,"30.00 C"]
[24871,"7kmg_F",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",37000,126000,{"$nulls":4},5.5,"37.00 C"]
[24885,"7kmg_F",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50559066","CNC(=N)NC(=O)NC","InChI=1S/C4H10N4O/c1-6-3(5)8-4(9)7-2/h1-2H3,(H4,5,6,7,8,9)","KGCIDHJBLPVUNN-UHFFFAOYSA-N",null,500000]
[24903,"7kmg_F",0.3,"Spike protein S1","Endochitinase B1 [D246A]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,62000]
[24918,"7lop_J",0.3,"Spike protein S1","Endochitinase B1 [E322A]","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,1370]
[24935,"7lop_J",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,27,{"$nulls":4},5.5]
[24951,"7lop_J",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,810]
[24968,"6xe1_C",0.3,"Spike protein S1","Endochitinase B1 [T138A]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,65000]
[24983,"6xe1_C",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50388141","Cn1cnc2n(C)c(=O)n(CCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12","InChI=1S/C16H18N8O4/c1-19-7-17-11-9(19)13(25)23(15(27)21(11)3)5-6-24-14(26)10-12(18-8-20(10)2)22(4)16(24)28/h7-8H,5-6H2,1-4H3","DHOOHIKQTUGDOW-UHFFFAOYSA-N",null,4800]
[25001,"6xe1_C",0.3,"Spike protein S1","Endochitinase B1 [A217G]","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,4240]
[25014,"7dmu_B",0.3,"Spike protein S1","Endochitinase B1 [E322A]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,45000]
[25034,"7dmu_B",0.3,"Spike protein S1","Endochitinase B1 [R301K]","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,1020]
[25051,"7dmu_B",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50559066","CNC(=N)NC(=O)NC","InChI=1S/C4H10N4O/c1-6-3(5)8-4(9)7-2/h1-2H3,(H4,5,6,7,8,9)","KGCIDHJBLPVUNN-UHFFFAOYSA-N",null,500000]
[25062,"7dmu_D",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25466","CC(=O)Nc1cc2C(=O)c3ccccc3-c2cc1[N+]([O-])=O","InChI=1S/C15H10N2O4/c1-8(18)16-13-6-12-11(7-14(13)17(20)21)9-4-2-3-5-10(9)15(12)19/h2-7H,1H3,(H,16,18)","NKZAKQSPBYLXCN-UHFFFAOYSA-N",null,null,31790,{"$nulls":3},7.5,"30.00 C"]
[25068,"7dmu_D",0.3,"Spike protein S1","Histone-lysine N-methyltransferase ASH1L","Homo sapiens","BDBM50530712","N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1cccc(c1)C(N)=O)C(O)=O","InChI=1S/C24H27N7O6/c25-15(24(35)36)7-6-13(5-4-12-2-1-3-14(8-12)21(27)34)9-16-18(32)19(33)23(37-16)31-11-30-17-20(26)28-10-29-22(17)31/h1-3,8,10-11,13,15-16,18-19,23,32-33H,6-7,9,25H2,(H2,27,34)(H,35,36)(H2,26,28,29)/t13-,15-,16+,18+,19+,23+/m0/s1","QRKSTGPKAQGBDD-GGPTZFPQSA-N",null,">10000"]
[25094,"7dmu_D",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,27,{"$nulls":4},5.5]
[25101,"7dmu_D",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50388143","Cn1cnc2n(C)c(=O)n(CCCCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12","InChI=1S/C19H24N8O4/c1-22-10-20-14-12(22)16(28)26(18(30)24(14)3)8-6-5-7-9-27-17(29)13-15(21-11-23(13)2)25(4)19(27)31/h10-11H,5-9H2,1-4H3","YJGXPSISVGOKLP-UHFFFAOYSA-N",null,5700]
[25118,"7jji_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401917","CCn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C20H29N7O/c1-2-27-13-16(11-24-27)25-20-23-12-17(14-7-8-14)18(26-20)21-9-4-10-22-19(28)15-5-3-6-15/h11-15H,2-10H2,1H3,(H,22,28)(H2,21,23,25,26)","ATGOJZIHHQXMBT-UHFFFAOYSA-N",null,140]
[25142,"7jji_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403034","C[N+](C)(C)C[C@H](N)CC([O-])=O","InChI=1S/C7H16N2O2/c1-9(2,3)5-6(8)4-7(10)11/h6H,4-5,8H2,1-3H3/t6-/m1/s1","DAWBGYHPBBDHMQ-ZCFIWIBFSA-N",null,3900]
[25151,"7jji_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403039","COc1ccc(Cl)cc1S(=O)(=O)N1CC(Oc2ccc(cc12)C(=O)Nc1cccc(F)c1)C(O)=O","InChI=1S/C23H18ClFN2O7S/c1-33-19-8-6-14(24)10-21(19)35(31,32)27-12-20(23(29)30)34-18-7-5-13(9-17(18)27)22(28)26-16-4-2-3-15(25)11-16/h2-11,20H,12H2,1H3,(H,26,28)(H,29,30)","RMZZHWOSLFWWAJ-UHFFFAOYSA-N",null,">100000"]
[25174,"7jji_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401911","CC(C)N1CCC(CC1)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C26H40N8O/c1-18(2)33-13-9-22(10-14-33)34-17-21(15-30-34)31-26-29-16-23(19-7-8-19)24(32-26)27-11-4-12-28-25(35)20-5-3-6-20/h15-20,22H,3-14H2,1-2H3,(H,28,35)(H2,27,29,31,32)","MJCWEXGCJMNQGR-UHFFFAOYSA-N",null,3000]
[25184,"7jji_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403031","OC(=O)C(=O)c1ccc(OCCOc2ccc3ccccc3c2)s1","InChI=1S/C18H14O5S/c19-17(18(20)21)15-7-8-16(24-15)23-10-9-22-14-6-5-12-3-1-2-4-13(12)11-14/h1-8,11H,9-10H2,(H,20,21)","IANOEARWEWNMSC-UHFFFAOYSA-N",null,4700]
[25201,"7kj5_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401927","O=C(NCCCNc1nc(Nc2ccc(cc2)-n2cncn2)ncc1C1CC1)C1CCC1","InChI=1S/C23H28N8O/c32-22(17-3-1-4-17)26-12-2-11-25-21-20(16-5-6-16)13-27-23(30-21)29-18-7-9-19(10-8-18)31-15-24-14-28-31/h7-10,13-17H,1-6,11-12H2,(H,26,32)(H2,25,27,29,30)","UNJQFYGCPVIKPA-UHFFFAOYSA-N",null,150]
[25222,"6m0j_B",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25466","CC(=O)Nc1cc2C(=O)c3ccccc3-c2cc1[N+]([O-])=O","InChI=1S/C15H10N2O4/c1-8(18)16-13-6-12-11(7-14(13)17(20)21)9-4-2-3-5-10(9)15(12)19/h2-7H,1H3,(H,16,18)","NKZAKQSPBYLXCN-UHFFFAOYSA-N",null,null,31790,{"$nulls":3},7.5,"30.00 C"]
[25234,"6m0j_B",0.3,"Spike protein S1","Endochitinase B1 [M243A]","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,9390]
[25239,"6m0j_B",0.3,"Spike protein S1","Endochitinase B1 [Y245F]","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,5570]
[25267,"6m0j_B",0.3,"Spike protein S1","Endochitinase B1 [A217G]","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,4240]
[25271,"6m0j_B",0.3,"Spike protein S1","Endochitinase B1 [R301K]","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,2160]
[25300,"7m0j_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401916","O=C(NCCCNc1nc(Nc2cnn(c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C21H29N7O/c29-20(15-3-1-4-15)23-10-2-9-22-19-18(14-5-6-14)12-24-21(27-19)26-16-11-25-28(13-16)17-7-8-17/h11-15,17H,1-10H2,(H,23,29)(H2,22,24,26,27)","PLHGRDHBKJDBAW-UHFFFAOYSA-N",null,130]
[25301,"7m0j_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401917","CCn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C20H29N7O/c1-2-27-13-16(11-24-27)25-20-23-12-17(14-7-8-14)18(26-20)21-9-4-10-22-19(28)15-5-3-6-15/h11-15H,2-10H2,1H3,(H,22,28)(H2,21,23,25,26)","ATGOJZIHHQXMBT-UHFFFAOYSA-N",null,140]
[25319,"7jx3_G",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25462","[O-][N+](=O)c1cc2C(=O)c3ccccc3-c2cc1[N+]([O-])=O","InChI=1S/C13H6N2O5/c16-13-8-4-2-1-3-7(8)9-5-11(14(17)18)12(15(19)20)6-10(9)13/h1-6H","BTCGQAJWZRCLRP-UHFFFAOYSA-N",null,null,37110,{"$nulls":3},7.5,"30.00 C"]
[25334,"7jx3_G",0.3,"Spike protein S1","Endochitinase B1 [D175A]","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,3600]
[25351,"7jx3_G",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50559069","CNC(=O)NC(=N)NCCC[C@H]1CN(C)[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(=O)N[C@H](CC(=O)N[C@H](C)C(=O)N1)C(O)=O)C(O)=O","InChI=1S/C30H45N9O9/c1-17-25(42)35-19(10-7-13-33-29(31)38-30(48)32-2)16-39(3)22(14-18-8-5-4-6-9-18)26(43)37-20(27(44)45)11-12-23(40)36-21(28(46)47)15-24(41)34-17/h4-6,8-9,17,19-22H,7,10-16H2,1-3H3,(H,34,41)(H,35,42)(H,36,40)(H,37,43)(H,44,45)(H,46,47)(H4,31,32,33,38,48)/t17-,19+,20-,21-,22+/m1/s1","DHHVTIQSEZUVAG-BLCKVISQSA-N",null,27]
[25367,"7jx3_G",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,460]
[25384,"7mf1_A",0.3,"Spike protein S1","Histone-lysine N-methyltransferase ASH1L","Homo sapiens","BDBM50530712","N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1cccc(c1)C(N)=O)C(O)=O","InChI=1S/C24H27N7O6/c25-15(24(35)36)7-6-13(5-4-12-2-1-3-14(8-12)21(27)34)9-16-18(32)19(33)23(37-16)31-11-30-17-20(26)28-10-29-22(17)31/h1-3,8,10-11,13,15-16,18-19,23,32-33H,6-7,9,25H2,(H2,27,34)(H,35,36)(H2,26,28,29)/t13-,15-,16+,18+,19+,23+/m0/s1","QRKSTGPKAQGBDD-GGPTZFPQSA-N",null,">10000"]
[25399,"7mf1_A",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50173286","CNC(=O)NC(N)=NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",17]
[25417,"7mf1_A",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,460]
[25431,"7e88_L",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25464","Nc1nc(Sc2ccc([N+]([O-])=O)c3nonc23)c2[nH]cnc2n1","InChI=1S/C11H6N8O3S/c12-11-15-9-8(13-3-14-9)10(16-11)23-5-2-1-4(19(20)21)6-7(5)18-22-17-6/h1-3H,(H3,12,13,14,15,16)","NPXXCZXQTLRXTP-UHFFFAOYSA-N",null,null,15190,{"$nulls":3},7.5,"30.00 C"]
[25450,"7e88_L",0.3,"Spike protein S1","DNA polymerase kappa","Homo sapiens","BDBM50379293","C\\C=C\\C1=CC2=CC(=O)[C@@](C)(O)[C@@H](OC(=O)c3c(C)cc(O)cc3O)[C@@H]2CO1","InChI=1S/C21H22O7/c1-4-5-14-7-12-8-17(24)21(3,26)19(15(12)10-27-14)28-20(25)18-11(2)6-13(22)9-16(18)23/h4-9,15,19,22-23,26H,10H2,1-3H3/b5-4+/t15-,19+,21-/m1/s1","HNVJWWBKFFDQAA-DAYKGMGPSA-N",null,59800]
[25467,"7e88_L",0.3,"Spike protein S1","DNA polymerase kappa","Homo sapiens","BDBM50104668","COC(=O)c1cc(OC)cc(OC)c1C(=O)c1coc(\\C=C\\C)c(OC)c1=O","InChI=1S/C20H20O8/c1-6-7-14-19(26-4)18(22)13(10-28-14)17(21)16-12(20(23)27-5)8-11(24-2)9-15(16)25-3/h6-10H,1-5H3/b7-6+","WGLRJONCGNNMKL-VOTSOKGWSA-N",null,12500]
[25479,"7laa_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401918","CC(C)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C21H31N7O/c1-14(2)28-13-17(11-25-28)26-21-24-12-18(15-7-8-15)19(27-21)22-9-4-10-23-20(29)16-5-3-6-16/h11-16H,3-10H2,1-2H3,(H,23,29)(H2,22,24,26,27)","MLWMBKMQVQOSSC-UHFFFAOYSA-N",null,81]
[25500,"7laa_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401912","O=C(NCCCNc1nc(Nc2cnn(CCN3CCOCC3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H36N8O2/c33-23(19-3-1-4-19)26-8-2-7-25-22-21(18-5-6-18)16-27-24(30-22)29-20-15-28-32(17-20)10-9-31-11-13-34-14-12-31/h15-19H,1-14H2,(H,26,33)(H2,25,27,29,30)","OOXCKYWNRURMMA-UHFFFAOYSA-N",null,9000]
[25511,"7laa_E",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401913","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O2/c31-22(17-3-1-4-17)25-10-2-9-24-21-20(16-5-6-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-11-32-12-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BPUHLRZXPRJIDO-UHFFFAOYSA-N",null,280]
[25533,"7cn9_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401915","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCC2)ncc1C1CC1)C1CCC1","InChI=1S/C22H31N7O/c30-21(16-4-1-5-16)24-11-3-10-23-20-19(15-8-9-15)13-25-22(28-20)27-17-12-26-29(14-17)18-6-2-7-18/h12-16,18H,1-11H2,(H,24,30)(H2,23,25,27,28)","WFLUXPNQSNOSDL-UHFFFAOYSA-N",null,220]
[25542,"7cn9_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401926","O=C(NCCCNc1nc(Nc2cccnc2)ncc1C1CC1)C1CCC1","InChI=1S/C20H26N6O/c27-19(15-4-1-5-15)23-11-3-10-22-18-17(14-7-8-14)13-24-20(26-18)25-16-6-2-9-21-12-16/h2,6,9,12-15H,1,3-5,7-8,10-11H2,(H,23,27)(H2,22,24,25,26)","DAAZPAUBEVGXFD-UHFFFAOYSA-N",null,">1000"]
[25550,"7cn9_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401920","Cc1nn(C)c2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C24H31N7O/c1-15-19-10-9-18(13-21(19)31(2)30-15)28-24-27-14-20(16-7-8-16)22(29-24)25-11-4-12-26-23(32)17-5-3-6-17/h9-10,13-14,16-17H,3-8,11-12H2,1-2H3,(H,26,32)(H2,25,27,28,29)","YQQIVRZPQZTHDO-UHFFFAOYSA-N",null,90]
[25567,"7cn9_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401906","Fc1cccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)c1","InChI=1S/C21H26FN5O/c22-16-6-2-7-17(12-16)26-21-25-13-18(14-8-9-14)19(27-21)23-10-3-11-24-20(28)15-4-1-5-15/h2,6-7,12-15H,1,3-5,8-11H2,(H,24,28)(H2,23,25,26,27)","URECOWLJWSLQCN-UHFFFAOYSA-N",null,1300]
[25590,"7eam_A",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,43000]
[25600,"7eam_A",0.3,"Spike protein S1","Endochitinase B1 [E322A]","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,1370]
[25622,"7eam_A",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25465","CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@@]3(C)CC[C@H](O)C[C@]33C=C[C@]21C(C3C(O)=O)C(O)=O","InChI=1S/C25H32O6/c1-13(26)15-4-5-16-22(15,2)8-7-17-23(3)9-6-14(27)12-24(23)10-11-25(16,17)19(21(30)31)18(24)20(28)29/h7,10-11,14-16,18-19,27H,4-6,8-9,12H2,1-3H3,(H,28,29)(H,30,31)/t14-,15+,16+,18?,19?,22+,23+,24-,25-/m0/s1","NEZTUQCJKXTWFV-JIQJOFIQSA-N",null,null,127190,{"$nulls":3},7.5,"30.00 C"]
[25633,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50476807","[I-].[I-].C[n+]1ccc2ccccc2c1Cc1cccc(Cc2[n+](C)ccc3ccccc23)c1","InChI=1S/C28H26N2/c1-29-16-14-23-10-3-5-12-25(23)27(29)19-21-8-7-9-22(18-21)20-28-26-13-6-4-11-24(26)15-17-30(28)2/h3-18H,19-20H2,1-2H3/q+2","AHNNVJJDVCCGRU-UHFFFAOYSA-N",132]
[25650,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50476811","[I-].[I-].C[n+]1ccc2ccccc2c1CCCCc1[n+](C)ccc2ccccc12","InChI=1S/C24H26N2/c1-25-17-15-19-9-3-5-11-21(19)23(25)13-7-8-14-24-22-12-6-4-10-20(22)16-18-26(24)2/h3-6,9-12,15-18H,7-8,13-14H2,1-2H3/q+2","ZGKRBKPULBFLDB-UHFFFAOYSA-N",1962]
[25670,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50474856","C1CC[n+]2ccc(NCCCCNc3cc[n+](CC1)c1ccccc31)c1ccccc21","InChI=1S/C27H30N4/c1-8-18-30-20-14-24(22-10-2-4-12-26(22)30)28-16-6-7-17-29-25-15-21-31(19-9-1)27-13-5-3-11-23(25)27/h2-5,10-15,20-21H,1,6-9,16-19H2/p+2/b28-24+,29-25+","GCCRVTGOPAILGE-NLLYGJECSA-P",null,9]
[25683,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50474858","C1CCCNc2cc[n+](CCCCCC[n+]3ccc(NCC1)c1ccccc31)c1ccccc21","InChI=1S/C30H36N4/c1-2-10-20-32-28-18-24-34(30-16-8-6-14-26(28)30)22-12-4-3-11-21-33-23-17-27(31-19-9-1)25-13-5-7-15-29(25)33/h5-8,13-18,23-24H,1-4,9-12,19-22H2/p+2/b31-27+,32-28?","ZQNBIJZLMRIJDS-FUQISJQKSA-P",null,60]
[25702,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50084851","C1CCCCCN[c+]2ccn(Cc3ccc(CCc4ccc(Cn5cc[c+](NCCCC1)c1ccccc51)cc4)cc3)c1ccccc21","InChI=1S/C44H50N4/c1-2-4-6-12-30-46-42-28-32-48(44-16-10-8-14-40(42)44)34-38-25-21-36(22-26-38)18-17-35-19-23-37(24-20-35)33-47-31-27-41(45-29-11-5-3-1)39-13-7-9-15-43(39)47/h7-10,13-16,19-28,31-32,45-46H,1-6,11-12,17-18,29-30,33-34H2/q+2","YBUJEFDKDCEBNG-UHFFFAOYSA-N",null,180]
[25716,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50470930","Cc1cc(NCCCCCCCCCCNc2cc(C)[n+](Cc3ccccc3)c3ccccc23)c2ccccc2[n+]1Cc1ccccc1","InChI=1S/C44H50N4/c1-35-31-41(39-25-15-17-27-43(39)47(35)33-37-21-11-9-12-22-37)45-29-19-7-5-3-4-6-8-20-30-46-42-32-36(2)48(34-38-23-13-10-14-24-38)44-28-18-16-26-40(42)44/h9-18,21-28,31-32H,3-8,19-20,29-30,33-34H2,1-2H3/p+2","FOGYKOMUXDBHPA-UHFFFAOYSA-P",null,400]
[25733,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50470933","C[n+]1ccc(NCCCCCCCCCCNc2cc[n+](C)c3cc(Cl)ccc23)c2ccc(Cl)cc12","InChI=1S/C30H36Cl2N4/c1-35-19-15-27(25-13-11-23(31)21-29(25)35)33-17-9-7-5-3-4-6-8-10-18-34-28-16-20-36(2)30-22-24(32)12-14-26(28)30/h11-16,19-22H,3-10,17-18H2,1-2H3/p+2","MKDLJMMXSVZMLV-UHFFFAOYSA-P",null,1300]
[25750,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50476802","[I-].[I-].COc1cc2cc[n+](C)c(Cc3ccccc3Cc3[n+](C)ccc4cc(OC)c(OC)c(OC)c34)c2c(OC)c1OC","InChI=1S/C34H38N2O6/c1-35-15-13-23-19-27(37-3)31(39-5)33(41-7)29(23)25(35)17-21-11-9-10-12-22(21)18-26-30-24(14-16-36(26)2)20-28(38-4)32(40-6)34(30)42-8/h9-16,19-20H,17-18H2,1-8H3/q+2","ROTPHKOTMHELTA-UHFFFAOYSA-N",null,4100]
[25766,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50475206","[I-].COc1ccc2C(OC(=O)c2c1OC)C1c2c(CC[N+]1(C)C)cc1OCOc1c2OC","InChI=1S/C23H26NO7.HI/c1-24(2)9-8-12-10-15-21(30-11-29-15)22(28-5)16(12)18(24)19-13-6-7-14(26-3)20(27-4)17(13)23(25)31-19;/h6-7,10,18-19H,8-9,11H2,1-5H3;1H/q+1;/p-1","GOZWOMMRIDTRJO-UHFFFAOYSA-M",null,14100]
[25782,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Sarcoplasmic/endoplasmic reticulum calcium ATPase 2","Rattus norvegicus","BDBM50527068","C\\C(O)=C1/C(=O)[C@@H]2[C@@H]3[C@@H](Cc4cccc5[nH]cc3c45)C(C)(C)N2C1=O","InChI=1S/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,16-17,21,23H,7H2,1-3H3/b14-9-/t12-,16+,17+/m1/s1","CNZIQHGDUXRUJS-PTNHGACKSA-N",null,90]
[25799,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Beta-lactamase 1","Bacillus cereus","BDBM50285119","C[C@@]1(CCl)S[C@@H]2[C@@H](Br)C(=O)N2[C@H]1C(O)=O","InChI=1S/C8H9BrClNO3S/c1-8(2-10)4(7(13)14)11-5(12)3(9)6(11)15-8/h3-4,6H,2H2,1H3,(H,13,14)/t3-,4-,6+,8-/m0/s1","RXBJCDPRAUPSIB-QXCXTELSSA-N",null,1000000]
[25814,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246344","COc1ccccc1-n1nc(OC2CC(C)(C)[S@+]([O-])C(C)(C)C2)cc1-c1ccc(Cl)cc1","InChI=1S/C25H29ClN2O3S/c1-24(2)15-19(16-25(3,4)32(24)29)31-23-14-21(17-10-12-18(26)13-11-17)28(27-23)20-8-6-7-9-22(20)30-5/h6-14,19H,15-16H2,1-5H3/t19?,32-","CQCHOVDIAHVBMQ-ZPKIESPOSA-N",null,1.5]
[25816,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit alpha-1C/L-type calcium channel subunit beta-3/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM327851","CCC1=CC2C(C[C@]2(CN)Cc2nn[nH]n2)C1",{"$nulls":3},2.1]
[25833,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246319","COc1ccccc1-n1nc(O[C@@H]2CC[C@@H](CC2)NC(=O)C(F)(F)F)cc1-c1ccc(Cl)cc1","InChI=1S/C24H23ClF3N3O3/c1-33-21-5-3-2-4-19(21)31-20(15-6-8-16(25)9-7-15)14-22(30-31)34-18-12-10-17(11-13-18)29-23(32)24(26,27)28/h2-9,14,17-18H,10-13H2,1H3,(H,29,32)/t17-,18+","UGCISYLUHGKJKT-HDICACEKSA-N",null,11]
[25847,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246316","COc1ccccc1-n1nc(OC2CCS(=O)(=O)CC2)cc1-c1ccc(Cl)cc1","InChI=1S/C21H21ClN2O4S/c1-27-20-5-3-2-4-18(20)24-19(15-6-8-16(22)9-7-15)14-21(23-24)28-17-10-12-29(25,26)13-11-17/h2-9,14,17H,10-13H2,1H3","VLKBVXIFTQLGCO-UHFFFAOYSA-N",null,30]
[25866,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM50026612","COC(=O)c1ccc2\\C(=C(\\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1","InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-","XZXHXSATPCNXJR-ZIADKAODSA-N",null,null,">10000"]
[25879,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM25045","Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1","InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2","TUVCWJQQGGETHL-UHFFFAOYSA-N",null,null,">10000"]
[25899,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM50322823","CN(C)C\\C=C\\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1","InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1","ULXXDDBFHOBEHA-CWDCEQMOSA-N",null,null,">10000"]
[25916,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM25628","OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O","InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,18,24H,2,4,9-10H2","RIGIGAFKKVBACY-UHFFFAOYSA-N",null,null,">10000"]
[25927,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM50184807","C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C","InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1","WCWUXEGQKLTGDX-LLVKDONJSA-N",null,null,">10000"]
[25949,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481480","O=C(CC(c1ccccc1)c1ccccc1)N1CCN(CC1)C(C1CCNCC1)c1ccccc1","InChI=1S/C31H37N3O/c35-30(24-29(25-10-4-1-5-11-25)26-12-6-2-7-13-26)33-20-22-34(23-21-33)31(27-14-8-3-9-15-27)28-16-18-32-19-17-28/h1-15,28-29,31-32H,16-24H2","CNSYGZOEIHDOQH-UHFFFAOYSA-N",null,60]
[25959,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481466","O=C(NC(c1ccccc1)c1ccccc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1","InChI=1S/C31H31N3O/c35-31(32-29(25-13-5-1-6-14-25)26-15-7-2-8-16-26)34-23-21-33(22-24-34)30(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29-30H,21-24H2,(H,32,35)","PPVBMJIAJXVQFX-UHFFFAOYSA-N",null,150]
[25982,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481452","Clc1ccc(cc1)C(N1CCN(CC1)C(=O)CN(c1ccccc1)c1ccccc1)c1ccccc1","InChI=1S/C31H30ClN3O/c32-27-18-16-26(17-19-27)31(25-10-4-1-5-11-25)34-22-20-33(21-23-34)30(36)24-35(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-19,31H,20-24H2","RLEMIIBGFDBVBD-UHFFFAOYSA-N",null,500]
[25990,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel alpha1C/alpha2delta/beta1b","Homo sapiens","BDBM50481469","Fc1ccc(cc1)C(N1CCN(CC1)C(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1","InChI=1S/C32H31FN2O/c33-29-18-16-28(17-19-29)32(27-14-8-3-9-15-27)35-22-20-34(21-23-35)31(36)24-30(25-10-4-1-5-11-25)26-12-6-2-7-13-26/h1-19,30,32H,20-24H2","QJXZQIYIFNIJIO-UHFFFAOYSA-N",null,1100]
[26015,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel alpha1C/alpha2delta/beta1b","Homo sapiens","BDBM50481484","Clc1ccc(cc1)[C@@H](N1CCN(CC1)C(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1","InChI=1S/C32H31ClN2O/c33-29-18-16-28(17-19-29)32(27-14-8-3-9-15-27)35-22-20-34(21-23-35)31(36)24-30(25-10-4-1-5-11-25)26-12-6-2-7-13-26/h1-19,30,32H,20-24H2/t32-/m0/s1","AOQSRDPSBXFFQW-YTTGMZPUSA-N",null,6800]
[26032,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1/alpha-1B/alpha-2/delta-1","Rattus norvegicus","BDBM50481859","O=C(CCCCC(c1ccccc1)c1ccccc1)N1CCN(C\\C=C\\c2ccccc2)CC1","InChI=1S/C31H36N2O/c34-31(33-25-23-32(24-26-33)22-12-15-27-13-4-1-5-14-27)21-11-10-20-30(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-9,12-19,30H,10-11,20-26H2/b15-12+","YBINNPIWNMGBFX-NTCAYCPXSA-N",null,50]
[26038,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1/alpha-1B/alpha-2/delta-1","Rattus norvegicus","BDBM50461289","O=C(CC(c1ccccc1)c1ccccc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1","InChI=1S/C32H32N2O/c35-31(25-30(26-13-5-1-6-14-26)27-15-7-2-8-16-27)33-21-23-34(24-22-33)32(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,30,32H,21-25H2","VCPMZDWBEWTGNW-UHFFFAOYSA-N",null,110]
[26049,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1/alpha-1B/alpha-2/delta-1","Rattus norvegicus","BDBM50481854","C(CC(c1ccccc1)c1ccccc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1","InChI=1S/C33H36N2/c1-5-14-28(15-6-1)32(29-16-7-2-8-17-29)22-13-23-34-24-26-35(27-25-34)33(30-18-9-3-10-19-30)31-20-11-4-12-21-31/h1-12,14-21,32-33H,13,22-27H2","MICPQZJRSOUTGV-UHFFFAOYSA-N",null,6000]
[26070,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM52401","CN(C)c1ccc(\\C=C\\c2nc3ccccc3s2)cc1","InChI=1S/C17H16N2S/c1-19(2)14-10-7-13(8-11-14)9-12-17-18-15-5-3-4-6-16(15)20-17/h3-12H,1-2H3/b12-9+","MVMOMSLTZMMLJR-FMIVXFBMSA-N",null,">147.63"]
[26082,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM71404","ClCC(=O)N1N=C(CC1c1ccco1)c1ccco1","InChI=1S/C13H11ClN2O3/c14-8-13(17)16-10(12-4-2-6-19-12)7-9(15-16)11-3-1-5-18-11/h1-6,10H,7-8H2","OPRWTSGLXDLNBZ-UHFFFAOYSA-N",null,">1329"]
[26099,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM4212","Cn1nc(c(C#N)c1N1CCN(CC1)c1ccc(F)cc1)C(F)(F)F","InChI=1S/C16H15F4N5/c1-23-15(13(10-21)14(22-23)16(18,19)20)25-8-6-24(7-9-25)12-4-2-11(17)3-5-12/h2-5H,6-9H2,1H3","YACADTMYZRABHM-UHFFFAOYSA-N",null,2128]
[26118,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM42968","O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)NCc1ccc2OCOc2c1","InChI=1S/C20H16N6O3S/c27-18(22-10-13-4-5-15-16(9-13)29-12-28-15)11-30-19-7-6-17-23-24-20(26(17)25-19)14-3-1-2-8-21-14/h1-9H,10-12H2,(H,22,27)","CZJAIMJFUTZPQP-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[26132,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM33066","CN(C)c1ncc(s1)C1=C(Cl)C(=O)C(N2CCCC2)=C(Cl)C1=O","InChI=1S/C15H15Cl2N3O2S/c1-19(2)15-18-7-8(23-15)9-10(16)14(22)12(11(17)13(9)21)20-5-3-4-6-20/h7H,3-6H2,1-2H3","FWYHMWQCWYBONJ-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[26150,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM42996","Cc1[nH]nc2OC(=N)C(C#N)C(c3ccc(o3)-c3ccc(Cl)cc3)c12","InChI=1S/C18H13ClN4O2/c1-9-15-16(12(8-20)17(21)25-18(15)23-22-9)14-7-6-13(24-14)10-2-4-11(19)5-3-10/h2-7,12,16,21H,1H3,(H,22,23)","MARQQILLJQRGSS-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[26165,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM43009","CCN(CC)CCCNC(=O)c1ccc2c(SCC(O)=O)c3CCCc3nc2c1","InChI=1S/C22H29N3O3S/c1-3-25(4-2)12-6-11-23-22(28)15-9-10-17-19(13-15)24-18-8-5-7-16(18)21(17)29-14-20(26)27/h9-10,13H,3-8,11-12,14H2,1-2H3,(H,23,28)(H,26,27)","ZXPRGYIFYDHGRQ-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[26182,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM43024","Fc1ccccc1CSc1nc2ncc(Br)cc2[nH]1","InChI=1S/C13H9BrFN3S/c14-9-5-11-12(16-6-9)18-13(17-11)19-7-8-3-1-2-4-10(8)15/h1-6H,7H2,(H,16,17,18)","ILOLPXFRSGURQA-UHFFFAOYSA-N",{"$nulls":3},49520]
[26198,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM43038","Cc1cc(Cl)ccc1Oc1ncnc2oc(cc12)-c1ccccc1","InChI=1S/C19H13ClN2O2/c1-12-9-14(20)7-8-16(12)23-18-15-10-17(13-5-3-2-4-6-13)24-19(15)22-11-21-18/h2-11H,1H3","OCVUXRPCFYJURB-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[26215,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM43054","Clc1ccc(cc1)-c1ncc(s1)C(=O)c1ccccc1","InChI=1S/C16H10ClNOS/c17-13-8-6-12(7-9-13)16-18-10-14(20-16)15(19)11-4-2-1-3-5-11/h1-10H","LSFVQNRVOSBHHU-UHFFFAOYSA-N",{"$nulls":3},21430]
[26230,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM43069","Cc1ccc(cc1)-c1cc(-c2ccccc2)c(C#N)c(Br)n1","InChI=1S/C19H13BrN2/c1-13-7-9-15(10-8-13)18-11-16(14-5-3-2-4-6-14)17(12-21)19(20)22-18/h2-11H,1H3","NSGBGNPPUUZWTE-UHFFFAOYSA-N",{"$nulls":3},58220]
[26248,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM43074","Brc1ccc(\\C=N\\c2ccc(Nc3ccccc3)cc2)s1","InChI=1S/C17H13BrN2S/c18-17-11-10-16(21-17)12-19-13-6-8-15(9-7-13)20-14-4-2-1-3-5-14/h1-12,20H/b19-12+","FDWISOQOYCHXRK-XDHOZWIPSA-N",{"$nulls":3},">79370"]
[26262,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM43088","Clc1c(sc2ccccc12)C(=O)OCC(=O)NC1CCCCC1","InChI=1S/C17H18ClNO3S/c18-15-12-8-4-5-9-13(12)23-16(15)17(21)22-10-14(20)19-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,19,20)","BHQGONKTIPMFKI-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[26281,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM43107","CC(C)NC(=O)NC(=O)CSc1ccccc1F","InChI=1S/C12H15FN2O2S/c1-8(2)14-12(17)15-11(16)7-18-10-6-4-3-5-9(10)13/h3-6,8H,7H2,1-2H3,(H2,14,15,16,17)","XTOYIWRVZFGVQX-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[26298,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM43123","COc1ccc(cc1)-c1cc(C(F)F)n2ncc(C(=O)N3CCCc4ccccc34)c2n1","InChI=1S/C24H20F2N4O2/c1-32-17-10-8-15(9-11-17)19-13-21(22(25)26)30-23(28-19)18(14-27-30)24(31)29-12-4-6-16-5-2-3-7-20(16)29/h2-3,5,7-11,13-14,22H,4,6,12H2,1H3","TYBLOORSFYJHAB-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[26310,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM43134","COc1ccc(cc1)S(=O)(=O)Nc1c(F)cccc1F","InChI=1S/C13H11F2NO3S/c1-19-9-5-7-10(8-6-9)20(17,18)16-13-11(14)3-2-4-12(13)15/h2-8,16H,1H3","VRXPJXZDBZKKFD-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[26315,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM43139","Cc1nnc(=O)[nH]c1N=NCc1cccs1","InChI=1S/C9H9N5OS/c1-6-8(11-9(15)14-12-6)13-10-5-7-3-2-4-16-7/h2-4H,5H2,1H3,(H,11,14,15)","YSBLINDQHSHFBA-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[26342,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM43166","Clc1ccccc1CSCCC(=O)NCc1cccs1","InChI=1S/C15H16ClNOS2/c16-14-6-2-1-4-12(14)11-19-9-7-15(18)17-10-13-5-3-8-20-13/h1-6,8H,7,9-11H2,(H,17,18)","KOVRLQPUFINSJR-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[26348,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM43172","Cc1ccc(cc1)C(=O)Nc1ccc(cc1)N1CCCC1","InChI=1S/C18H20N2O/c1-14-4-6-15(7-5-14)18(21)19-16-8-10-17(11-9-16)20-12-2-3-13-20/h4-11H,2-3,12-13H2,1H3,(H,19,21)","WSRPJNIWZJGTDS-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[26365,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM4208","CC1(C)Cc2c(ccc3ccccc23)C(=O)N1","InChI=1S/C15H15NO/c1-15(2)9-13-11-6-4-3-5-10(11)7-8-12(13)14(17)16-15/h3-8H,9H2,1-2H3,(H,16,17)","YARODWJTFQXXIT-UHFFFAOYSA-N",null,3211]
[26390,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM87269","Clc1ccc(cc1)C(=O)NC(NC(=S)N1CCOCC1)C(Cl)(Cl)Cl","InChI=1S/C14H15Cl4N3O2S/c15-10-3-1-9(2-4-10)11(22)19-12(14(16,17)18)20-13(24)21-5-7-23-8-6-21/h1-4,12H,5-8H2,(H,19,22)(H,20,24)","WAMYHPVYOFPIMH-UHFFFAOYSA-N",null,3936]
[26398,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM37106","COC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(O)cc12","InChI=1S/C18H17NO4/c1-11-17(18(21)23-3)15-10-13(20)6-9-16(15)19(11)12-4-7-14(22-2)8-5-12/h4-10,20H,1-3H3","DPVJEMJNTMTDTP-UHFFFAOYSA-N",null,3987]
[26422,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM58327","CCCC(=O)NC(c1ccc(Cl)cc1)c1ccc2cccnc2c1O","InChI=1S/C20H19ClN2O2/c1-2-4-17(24)23-18(14-6-9-15(21)10-7-14)16-11-8-13-5-3-12-22-19(13)20(16)25/h3,5-12,18,25H,2,4H2,1H3,(H,23,24)","WUYUBRRFSCEXCC-UHFFFAOYSA-N",null,4704]
[26431,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM53766","COc1nn(cc1[N+]([O-])=O)C(C)C(=O)N\\[NH+]=C\\c1cc(Br)cc(OC)c1[O-]","InChI=1S/C15H16BrN5O6/c1-8(20-7-11(21(24)25)15(19-20)27-3)14(23)18-17-6-9-4-10(16)5-12(26-2)13(9)22/h4-8,22H,1-3H3,(H,18,23)/b17-6+","LNYRXTMMCOETEA-UBKPWBPPSA-N",null,5205]
[26448,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM87344","COC(=O)c1cc(c[nH]1)S(=O)(=O)NCCc1ccc(Cl)cc1","InChI=1S/C14H15ClN2O4S/c1-21-14(18)13-8-12(9-16-13)22(19,20)17-7-6-10-2-4-11(15)5-3-10/h2-5,8-9,16-17H,6-7H2,1H3","RJKHJOQVIAEKDT-UHFFFAOYSA-N",null,5722]
[26455,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM79412","COc1ccc(\\C=C2/CC\\C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1OC","InChI=1S/C23H24O5/c1-25-19-9-5-15(13-21(19)27-3)11-17-7-8-18(23(17)24)12-16-6-10-20(26-2)22(14-16)28-4/h5-6,9-14H,7-8H2,1-4H3/b17-11+,18-12+","NADUQCROZYTGPH-JYFOCSDGSA-N",null,5957]
[26481,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM50087289","Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1","InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1","UHDGCWIWMRVCDJ-CCXZUQQUSA-N",null,7533]
[26487,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM87586","COc1ccc(Oc2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1","InChI=1S/C15H16N4O4/c1-17-11-12(18(2)15(21)19(3)13(11)20)16-14(17)23-10-7-5-9(22-4)6-8-10/h5-8H,1-4H3","GWBNWRNVIHHFRS-UHFFFAOYSA-N",null,7762]
[26514,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM63729","ClCC(=O)N(C1CCCCC1)c1ccccc1","InChI=1S/C14H18ClNO/c15-11-14(17)16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2","WDAVIQBJLVXQGA-UHFFFAOYSA-N",null,8702]
[26518,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM87333","CC(=O)N1CCN(CC1)c1ncnc2ccccc12","InChI=1S/C14H16N4O/c1-11(19)17-6-8-18(9-7-17)14-12-4-2-3-5-13(12)15-10-16-14/h2-5,10H,6-9H2,1H3","IFRJYGYBDLCAKJ-UHFFFAOYSA-N",null,8944]
[26547,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM7572","COc1ccc(CNc2ncc(-c3ccc(F)cc3)n2C)c2ccccc12","InChI=1S/C22H20FN3O/c1-26-20(15-7-10-17(23)11-8-15)14-25-22(26)24-13-16-9-12-21(27-2)19-6-4-3-5-18(16)19/h3-12,14H,13H2,1-2H3,(H,24,25)","SFFVPSXFJCQJCA-UHFFFAOYSA-N",null,11606]
[26548,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM65618","COc1ccc[c-](C[NH+]=Nc2ccc(cn2)[N+]([O-])=O)c1=O","InChI=1S/C13H11N4O4/c1-21-11-4-2-3-9(13(11)18)7-15-16-12-6-5-10(8-14-12)17(19)20/h2-6,8H,7H2,1H3/q-1/p+1","ZULRJLQBJIJGFX-UHFFFAOYSA-O",null,11688]
[26566,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM39037","CCOc1ccc(cc1)-c1noc(CCC(O)=O)n1","InChI=1S/C13H14N2O4/c1-2-18-10-5-3-9(4-6-10)13-14-11(19-15-13)7-8-12(16)17/h3-6H,2,7-8H2,1H3,(H,16,17)","WKJJPENOGQVARC-UHFFFAOYSA-N",null,15161]
[26581,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM87342","CCOc1ccc(\\C=C2/SC(=S)N(CCCC(=O)NCCCN3CCOCC3)C2=O)cc1","InChI=1S/C23H31N3O4S2/c1-2-30-19-8-6-18(7-9-19)17-20-22(28)26(23(31)32-20)12-3-5-21(27)24-10-4-11-25-13-15-29-16-14-25/h6-9,17H,2-5,10-16H2,1H3,(H,24,27)/b20-17-","VDUBOQBUCQLZCK-JZJYNLBNSA-N",null,20256]
[26598,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM87309","CNC(=O)c1cccn(Cc2ccc(cc2)C(F)(F)F)c1=O","InChI=1S/C15H13F3N2O2/c1-19-13(21)12-3-2-8-20(14(12)22)9-10-4-6-11(7-5-10)15(16,17)18/h2-8H,9H2,1H3,(H,19,21)","ZFSIBBBOXHXGKK-UHFFFAOYSA-N",null,">35839"]
[26614,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM87311","CC(=O)Nc1ccc(cc1)\\[NH+]=c1/scc(-c2ccc(C)cc2)n1CC=C","InChI=1S/C21H21N3OS/c1-4-13-24-20(17-7-5-15(2)6-8-17)14-26-21(24)23-19-11-9-18(10-12-19)22-16(3)25/h4-12,14H,1,13H2,2-3H3,(H,22,25)/p+1/b23-21-","WSLHFAQQHMYLCE-LNVKXUELSA-O",null,">35867"]
[26631,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM87356","Cc1cc(C(=O)COC(=O)C2=COCCO2)c(C)n1-c1ccccc1","InChI=1S/C19H19NO5/c1-13-10-16(14(2)20(13)15-6-4-3-5-7-15)17(21)11-25-19(22)18-12-23-8-9-24-18/h3-7,10,12H,8-9,11H2,1-2H3","UBSPOQLPEYAMRI-UHFFFAOYSA-N",null,">35872"]
[26646,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM18050","CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O","InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1","FBOZXECLQNJBKD-ZDUSSCGKSA-N",null,">35879"]
[26664,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM34209","Cc1ccc(NC(=O)CSc2nnc(o2)-c2ccc(cc2)S(=O)(=O)N2CCCC2)cc1C","InChI=1S/C22H24N4O4S2/c1-15-5-8-18(13-16(15)2)23-20(27)14-31-22-25-24-21(30-22)17-6-9-19(10-7-17)32(28,29)26-11-3-4-12-26/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,27)","SYXITLZGYACZEK-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[26678,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM42901","CCCCCCN1C(=O)NC(=O)C(=CNc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O","InChI=1S/C22H27N5O4/c1-4-5-6-10-13-26-20(29)17(19(28)24-22(26)31)14-23-18-15(2)25(3)27(21(18)30)16-11-8-7-9-12-16/h7-9,11-12,14,23H,4-6,10,13H2,1-3H3,(H,24,28,31)","HICDEVOITSXOSY-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[26697,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM42914","CCc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccs1","InChI=1S/C20H19N3OS2/c1-2-14-5-7-15(8-6-14)22-12-23-19(24)10-16(18-4-3-9-25-18)17(11-21)20(23)26-13-22/h3-9,16H,2,10,12-13H2,1H3","GECNFQSCKZVWLR-UHFFFAOYSA-N",{"$nulls":3},77770]
[26710,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM42926","CCOCCCNCc1ccc(OC)c(OC)c1","InChI=1S/C14H23NO3/c1-4-18-9-5-8-15-11-12-6-7-13(16-2)14(10-12)17-3/h6-7,10,15H,4-5,8-9,11H2,1-3H3","PNYTUOWHXKTMAS-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[26730,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM42943","Cn1cccc1-c1nc2ccc(NC(=O)c3ccccc3)cc2[nH]1","InChI=1S/C19H16N4O/c1-23-11-5-8-17(23)18-21-15-10-9-14(12-16(15)22-18)20-19(24)13-6-3-2-4-7-13/h2-12H,1H3,(H,20,24)(H,21,22)","SXGBEMHHLDIXBT-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[26747,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM42954","Fc1c(F)c(F)c(C(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)c(F)c1F","InChI=1S/C19H8F5N3O2/c20-13-12(14(21)16(23)17(24)15(13)22)18(28)26-9-1-2-11-10(7-9)27-19(29-11)8-3-5-25-6-4-8/h1-7H,(H,26,28)","PFCXKPZEFDPHKO-UHFFFAOYSA-N",{"$nulls":3},28850]
[26758,"7nxb_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDBM42964","CCN1CCCC1CNC(=O)c1cc2c(nn(C)c2s1)-c1ccc(Cl)cc1","InChI=1S/C20H23ClN4OS/c1-3-25-10-4-5-15(25)12-22-19(26)17-11-16-18(23-24(2)20(16)27-17)13-6-8-14(21)9-7-13/h6-9,11,15H,3-5,10,12H2,1-2H3,(H,22,26)","PCJHPJKWAQUXIC-UHFFFAOYSA-N",{"$nulls":3},">79370"]
[26780,"7ld1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401904","O=C(NCCCNc1nc(Nc2cccc(c2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-4-1-5-19)27-11-3-10-26-23-22(18-8-9-18)17-28-25(30-23)29-20-6-2-7-21(16-20)31-12-14-33-15-13-31/h2,6-7,16-19H,1,3-5,8-15H2,(H,27,32)(H2,26,28,29,30)","IBJXOEFBZCQHEA-UHFFFAOYSA-N",null,580]
[26790,"6x79_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305347","CC(C)(C)c1ccc(cc1)-n1cnc(C[C@H](OCCN)C(O)=O)c1","InChI=1S/C18H25N3O3/c1-18(2,3)13-4-6-15(7-5-13)21-11-14(20-12-21)10-16(17(22)23)24-9-8-19/h4-7,11-12,16H,8-10,19H2,1-3H3,(H,22,23)/t16-/m0/s1","JVLMBIHTJZKJHM-INIZCTEOSA-N",5.7]
[26797,"6x79_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226610","CCCn1cnc(C[C@H](CCCN)C(O)=O)c1","InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s1","OTDGPKRCQXSTPV-JTQLQIEISA-N",16]
[26814,"6x79_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305353","CCCn1cnc(CC(OCCNC)C(O)=O)c1","InChI=1S/C12H21N3O3/c1-3-5-15-8-10(14-9-15)7-11(12(16)17)18-6-4-13-2/h8-9,11,13H,3-7H2,1-2H3,(H,16,17)","ZVHHWSNDCRFPAT-UHFFFAOYSA-N",407]
[26838,"6x79_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089686","CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C41H60N8O9/c1-25(2)34-38(54)44-31(21-18-27-16-19-29(50)20-17-27)39(55)49(4)26(3)35(51)45-33(24-28-12-6-5-7-13-28)36(52)43-23-11-9-14-30(37(53)48-34)46-41(58)47-32(40(56)57)15-8-10-22-42/h5-7,12-13,16-17,19-20,25-26,30-34,50H,8-11,14-15,18,21-24,42H2,1-4H3,(H,43,52)(H,44,54)(H,45,51)(H,48,53)(H,56,57)(H2,46,47,58)/t26-,30+,31-,32-,33-,34-/m0/s1","VNOIUJQJSYNRHB-NCUXDPMLSA-N",null,1.9]
[26847,"6x79_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089691","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C26H46N4O4/c1-25(2)18-12-13-26(25,3)16-21(18)28-22(31)20(15-17-9-5-4-6-10-17)30-24(34)29-19(23(32)33)11-7-8-14-27/h17-21H,4-16,27H2,1-3H3,(H,28,31)(H,32,33)(H2,29,30,34)/t18?,19-,20+,21?,26?/m0/s1","MARJTHQRTDYWGB-HPIYHLJDSA-N",null,3]
[26870,"6x79_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135936","CCCCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O","InChI=1S/C15H20N4O2/c1-2-3-6-19-9-13(18-10-19)12(15(20)21)7-11-4-5-14(16)17-8-11/h4-5,8-10,12H,2-3,6-7H2,1H3,(H2,16,17)(H,20,21)","RCFXGCBFYOZPJW-UHFFFAOYSA-N",null,6]
[26880,"6x79_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326397","CC[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C[C@]1(C(=O)OC)c1cn(cn1)-c1ccccc1","InChI=1S/C24H33N3O4/c1-6-17(14-25-22(29)31-23(2,3)4)12-18-13-24(18,21(28)30-5)20-15-27(16-26-20)19-10-8-7-9-11-19/h7-11,15-18H,6,12-14H2,1-5H3,(H,25,29)/t17-,18+,24-/m1/s1","XEAMWQOAIXEZGF-NXMSCROESA-N",null,7.9]
[26897,"6x79_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089750","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C24H42N4O4/c1-23(2)16-10-11-24(23,3)14-19(16)26-20(29)18(13-15-7-6-8-15)28-22(32)27-17(21(30)31)9-4-5-12-25/h15-19H,4-14,25H2,1-3H3,(H,26,29)(H,30,31)(H2,27,28,32)/t16?,17-,18+,19?,24?/m0/s1","IUEFDVNIRHIKQG-CVYVEZKBSA-N",null,9]
[26918,"6x79_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109240","CCC1CC(C1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C15H25N3O2/c1-2-11-6-14(7-11)18-9-13(17-10-18)8-12(15(19)20)4-3-5-16/h9-12,14H,2-8,16H2,1H3,(H,19,20)","NAMYEQZWSGWUPW-UHFFFAOYSA-N",null,14]
[26930,"6x79_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089752","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCN)C(O)=O","InChI=1S/C25H44N4O4/c1-24(2)17-11-12-25(24,3)15-20(17)27-21(30)19(14-16-8-5-4-6-9-16)29-23(33)28-18(22(31)32)10-7-13-26/h16-20H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)(H2,28,29,33)/t17?,18-,19+,20?,25?/m0/s1","DIMNQIOXFWXAEU-QNRKRJGYSA-N",null,18]
[26950,"6x79_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109248","NCCCC(Cc1cn(cn1)[C@H]1CC2CCC1C2)C(O)=O","InChI=1S/C16H25N3O2/c17-5-1-2-13(16(20)21)8-14-9-19(10-18-14)15-7-11-3-4-12(15)6-11/h9-13,15H,1-8,17H2,(H,20,21)/t11?,12?,13?,15-/m0/s1","MSFPTFZXHMPOFF-WOFVOEOOSA-N",null,25]
[26963,"6x79_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575778","COc1ccc(cc1)-c1cccc(F)c1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O","InChI=1S/C23H30FN2O5P/c1-31-18-9-7-17(8-10-18)19-5-4-6-21(24)20(19)15-26-13-14-32(29,30)23(16-26,22(27)28)11-2-3-12-25/h4-10H,2-3,11-16,25H2,1H3,(H,27,28)(H,29,30)/t23-/m0/s1","ODYNRMOUMKLRNU-QHCPKHFHSA-N",null,31]
[26981,"6x79_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173928","CC(C)[C@H]1COCCNC(=O)c2ccc(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)cc2","InChI=1S/C26H34N6O6/c1-15(2)21-14-38-10-9-28-23(33)18-6-3-16(4-7-18)11-19(24(34)30-21)31-26(37)32-20(25(35)36)12-17-5-8-22(27)29-13-17/h3-8,13,15,19-21H,9-12,14H2,1-2H3,(H2,27,29)(H,28,33)(H,30,34)(H,35,36)(H2,31,32,37)/t19-,20+,21-/m1/s1","TXPMYHVVLIAOAI-QHAWAJNXSA-N",null,40,{"$nulls":4},7.4,"25.00 C"]
[26996,"6x79_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326382","NCCCC1CC1(C(O)=O)c1cn(cn1)-c1cccc2ccccc12","InChI=1S/C20H21N3O2/c21-10-4-7-15-11-20(15,19(24)25)18-12-23(13-22-18)17-9-3-6-14-5-1-2-8-16(14)17/h1-3,5-6,8-9,12-13,15H,4,7,10-11,21H2,(H,24,25)","UDAZMQUJRCWMDT-UHFFFAOYSA-N",null,54]
[27013,"6x79_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008273","NCCC[C@]1(CCc2c(C1)ncn2C1CCCCC1)C(O)=O","InChI=1S/C17H27N3O2/c18-10-4-8-17(16(21)22)9-7-15-14(11-17)19-12-20(15)13-5-2-1-3-6-13/h12-13H,1-11,18H2,(H,21,22)/t17-/m1/s1","HYXCCZTWQBSAJR-QGZVFWFLSA-N",null,80]
[27030,"6x79_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575757","NCCCCC1(CN(Cc2ccc(O)cc2)CCP1(O)=O)C(O)=O","InChI=1S/C16H25N2O5P/c17-8-2-1-7-16(15(20)21)12-18(9-10-24(16,22)23)11-13-3-5-14(19)6-4-13/h3-6,19H,1-2,7-12,17H2,(H,20,21)(H,22,23)","RPSUUUMUOBONAG-UHFFFAOYSA-N",null,101]
[27046,"6x79_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575760","NCCCCC1(CN(Cc2ccccc2Cl)CCP1(O)=O)C(O)=O","InChI=1S/C16H24ClN2O4P/c17-14-6-2-1-5-13(14)11-19-9-10-24(22,23)16(12-19,15(20)21)7-3-4-8-18/h1-2,5-6H,3-4,7-12,18H2,(H,20,21)(H,22,23)","MDZLUBDITWWUHN-UHFFFAOYSA-N",null,161]
[27061,"6x79_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173894","CC1(C)COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C24H38N4O6/c1-24(2)16-33-13-5-6-14-34-18-10-8-17(9-11-18)15-20(21(29)28-24)27-23(32)26-19(22(30)31)7-3-4-12-25/h8-11,19-20H,3-7,12-16,25H2,1-2H3,(H,28,29)(H,30,31)(H2,26,27,32)/t19-,20+/m0/s1","FBMIZNMJBGCCDP-VQTJNVASSA-N",null,269,{"$nulls":4},7.4,"25.00 C"]
[27063,"6x79_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326387","CC(C)(CN)CC1CC1(C(O)=O)c1cn(cn1)-c1ccccc1","InChI=1S/C18H23N3O2/c1-17(2,11-19)8-13-9-18(13,16(22)23)15-10-21(12-20-15)14-6-4-3-5-7-14/h3-7,10,12-13H,8-9,11,19H2,1-2H3,(H,22,23)","WWNSWPHSWQCJIZ-UHFFFAOYSA-N",null,">300"]
[27080,"6x79_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326392","C[C@H](CN)C[C@@H]1C[C@@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C16H20N4O2/c1-11(8-17)6-12-7-16(12,15(21)22)13-9-20(10-19-13)14-4-2-3-5-18-14/h2-5,9-12H,6-8,17H2,1H3,(H,21,22)/t11-,12+,16-/m0/s1","FKDQZBMTXAMQNM-OZVIIMIRSA-N",null,490]
[27094,"6x79_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201431","Nc1cccc(c1)C(CS)C(O)=O","InChI=1S/C9H11NO2S/c10-7-3-1-2-6(4-7)8(5-13)9(11)12/h1-4,8,13H,5,10H2,(H,11,12)","WOYCAJIRNXWVLG-UHFFFAOYSA-N",null,785]
[27113,"6x79_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575753","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccco2)CCP1(O)=O)C(O)=O","InChI=1S/C14H23N2O5P.C2HF3O2/c15-6-2-1-5-14(13(17)18)11-16(7-9-22(14,19)20)10-12-4-3-8-21-12;3-2(4,5)1(6)7/h3-4,8H,1-2,5-7,9-11,15H2,(H,17,18)(H,19,20);(H,6,7)","NHUTWXDCZGPHKX-UHFFFAOYSA-N",null,1500]
[27126,"6x79_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395733","NCCCCCC(C[Se]C(=O)CCc1ccccc1)C(O)=O","InChI=1S/C17H25NO3Se/c18-12-6-2-5-9-15(17(20)21)13-22-16(19)11-10-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13,18H2,(H,20,21)","JNRHODQLZKDDMA-UHFFFAOYSA-N",null,2000]
[27146,"6x79_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201432","CC(=N)N1CCC(CC1)C(CS)C(O)=O","InChI=1S/C10H18N2O2S/c1-7(11)12-4-2-8(3-5-12)9(6-15)10(13)14/h8-9,11,15H,2-6H2,1H3,(H,13,14)","ODTIDKLOSIANQV-UHFFFAOYSA-N",null,5300]
[27163,"6x79_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326361","CCOC(=O)C1(CC1CCCN)c1cn(cn1)-c1ccc(C)cc1","InChI=1S/C19H25N3O2/c1-3-24-18(23)19(11-15(19)5-4-10-20)17-12-22(13-21-17)16-8-6-14(2)7-9-16/h6-9,12-13,15H,3-5,10-11,20H2,1-2H3","LVXJMKKSUFMMJM-UHFFFAOYSA-N",null,10000]
[27174,"6x79_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575727","OC(=O)C(F)(F)F.NCCCCC1(CCCP1(O)=O)C(O)=O","InChI=1S/C9H18NO4P.C2HF3O2/c10-6-2-1-4-9(8(11)12)5-3-7-15(9,13)14;3-2(4,5)1(6)7/h1-7,10H2,(H,11,12)(H,13,14);(H,6,7)","MZQXZQRRRNTYIJ-UHFFFAOYSA-N",null,19000]
[27196,"6x79_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575750","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccncc2)CCP1(O)=O)C(O)=O","InChI=1S/C15H24N3O4P.C2HF3O2/c16-6-2-1-5-15(14(19)20)12-18(9-10-23(15,21)22)11-13-3-7-17-8-4-13;3-2(4,5)1(6)7/h3-4,7-8H,1-2,5-6,9-12,16H2,(H,19,20)(H,21,22);(H,6,7)","QEBCYXQAFHKXPG-UHFFFAOYSA-N",null,">30000"]
[27206,"6x79_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575726","OC(=O)C(F)(F)F.NCCCC1(CCCP1(O)=O)C(O)=O","InChI=1S/C8H16NO4P.C2HF3O2/c9-5-1-3-8(7(10)11)4-2-6-14(8,12)13;3-2(4,5)1(6)7/h1-6,9H2,(H,10,11)(H,12,13);(H,6,7)","OTIVHGRHVNBQDX-UHFFFAOYSA-N",null,">30000"]
[27229,"6x79_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401925","O=C(NCCCNc1nc(Nc2ccc(nc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C24H33N7O2/c32-23(18-3-1-4-18)26-10-2-9-25-22-20(17-5-6-17)16-28-24(30-22)29-19-7-8-21(27-15-19)31-11-13-33-14-12-31/h7-8,15-18H,1-6,9-14H2,(H,26,32)(H2,25,28,29,30)","OGBCWLLWFKPBKH-UHFFFAOYSA-N",null,490]
[27238,"6x79_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401911","CC(C)N1CCC(CC1)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C26H40N8O/c1-18(2)33-13-9-22(10-14-33)34-17-21(15-30-34)31-26-29-16-23(19-7-8-19)24(32-26)27-11-4-12-28-25(35)20-5-3-6-20/h15-20,22H,3-14H2,1-2H3,(H,28,35)(H2,27,29,31,32)","MJCWEXGCJMNQGR-UHFFFAOYSA-N",null,3000]
[27262,"6x79_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226601","Cn1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C9H16N4O2/c1-13-5-7(12-6-13)4-8(9(14)15)11-3-2-10/h5-6,8,11H,2-4,10H2,1H3,(H,14,15)/t8-/m0/s1","ZIGWTNNVVANKME-QMMMGPOBSA-N",235]
[27279,"6x79_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81904","O=C(Cn1nnc(n1)-c1cccs1)N1CCc2ccccc2C1","InChI=1S/C16H15N5OS/c22-15(20-8-7-12-4-1-2-5-13(12)10-20)11-21-18-16(17-19-21)14-6-3-9-23-14/h1-6,9H,7-8,10-11H2","TWSRTYYHXLBOCX-UHFFFAOYSA-N",32000]
[27286,"6x79_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395735","CCC(=O)[Se]CC(CCCCCN)C(O)=O","InChI=1S/C11H21NO3Se/c1-2-10(13)16-8-9(11(14)15)6-4-3-5-7-12/h9H,2-8,12H2,1H3,(H,14,15)","BLOWBFVUAGFPRC-UHFFFAOYSA-N",null,1.1]
[27296,"6x79_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395732","Nc1ccc(CC(C[Se][Se]CC(Cc2ccc(N)nc2)C(O)=O)C(O)=O)cn1","InChI=1S/C18H22N4O4Se2/c19-15-3-1-11(7-21-15)5-13(17(23)24)9-27-28-10-14(18(25)26)6-12-2-4-16(20)22-8-12/h1-4,7-8,13-14H,5-6,9-10H2,(H2,19,21)(H2,20,22)(H,23,24)(H,25,26)","MYECLQPAUDYVIW-UHFFFAOYSA-N",null,2.2]
[27318,"6x79_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395733","NCCCCCC(C[Se]C(=O)CCc1ccccc1)C(O)=O","InChI=1S/C17H25NO3Se/c18-12-6-2-5-9-15(17(20)21)13-22-16(19)11-10-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13,18H2,(H,20,21)","JNRHODQLZKDDMA-UHFFFAOYSA-N",null,5.3]
[27329,"6x79_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109256","CC1(C)CCCC(C1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C17H29N3O2/c1-17(2)7-3-6-15(10-17)20-11-14(19-12-20)9-13(16(21)22)5-4-8-18/h11-13,15H,3-10,18H2,1-2H3,(H,21,22)","ILWZFIDDSWMJSL-UHFFFAOYSA-N",null,7.5]
[27346,"6x79_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395731","CCOC(=O)C(C[Se]C(=O)CC)Cc1ccc(N)nc1","InChI=1S/C14H20N2O3Se/c1-3-13(17)20-9-11(14(18)19-4-2)7-10-5-6-12(15)16-8-10/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,15,16)","UHQFZYXCXBJDLU-UHFFFAOYSA-N",null,8.9]
[27366,"6x79_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326365","NCCC[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccc1","InChI=1S/C16H19N3O2/c17-8-4-5-12-9-16(12,15(20)21)14-10-19(11-18-14)13-6-2-1-3-7-13/h1-3,6-7,10-12H,4-5,8-9,17H2,(H,20,21)/t12-,16+/m0/s1","YKCVEFPDNCZBMZ-BLLLJJGKSA-N",null,13]
[27379,"6x79_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173908","NCCCCC(NC(=O)N[C@@H]1CCCCCCCCOCCNC1=O)C(O)=O","InChI=1S/C19H36N4O5/c20-11-7-6-10-16(18(25)26)23-19(27)22-15-9-5-3-1-2-4-8-13-28-14-12-21-17(15)24/h15-16H,1-14,20H2,(H,21,24)(H,25,26)(H2,22,23,27)/t15-,16?/m1/s1","DVULGIIJYZWCHK-AAFJCEBUSA-N",null,17,{"$nulls":4},7.4,"25.00 C"]
[27398,"6x79_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM173926","CC(C)[C@H]1COCCC(=O)Nc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C24H37N5O6/c1-15(2)20-14-35-12-10-21(30)26-17-8-6-16(7-9-17)13-19(22(31)27-20)29-24(34)28-18(23(32)33)5-3-4-11-25/h6-9,15,18-20H,3-5,10-14,25H2,1-2H3,(H,26,30)(H,27,31)(H,32,33)(H2,28,29,34)/t18-,19+,20+/m0/s1","VSIDOZVYCSEJST-XUVXKRRUSA-N",null,22]
[27412,"6x79_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326375","CC(C)(C)OC(=O)N(CCCC1CC1(C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(cc1)[N+]#[C-])C(=O)OC(C)(C)C","InChI=1S/C31H42N4O6/c1-28(2,3)39-25(36)31(24-19-34(20-33-24)23-15-13-22(32-10)14-16-23)18-21(31)12-11-17-35(26(37)40-29(4,5)6)27(38)41-30(7,8)9/h13-16,19-21H,11-12,17-18H2,1-9H3","FLSIKRXJRXEXHX-UHFFFAOYSA-N",null,29]
[27429,"6x79_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089754","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CS(=O)(=O)CCN)C(O)=O","InChI=1S/C25H44N4O6S/c1-24(2)17-9-10-25(24,3)14-19(17)27-21(30)18(13-16-7-5-4-6-8-16)28-23(33)29-20(22(31)32)15-36(34,35)12-11-26/h16-20H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)(H2,28,29,33)/t17?,18-,19?,20+,25?/m1/s1","NMYGKFJQKUMIDO-IFVPPNBGSA-N",null,38]
[27445,"6x79_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135938","CC(C)n1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O","InChI=1S/C14H18N4O2/c1-9(2)18-7-12(17-8-18)11(14(19)20)5-10-3-4-13(15)16-6-10/h3-4,6-9,11H,5H2,1-2H3,(H2,15,16)(H,19,20)","FOEIIYROBVUQFU-UHFFFAOYSA-N",null,52]
[27462,"6x79_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173897","NCCCC[C@H](NC(=O)N[C@@H]1Cc2ccc(OCCCCOC[C@@H](NC1=O)c1ccccc1)cc2)C(O)=O","InChI=1S/C28H38N4O6/c29-15-5-4-10-23(27(34)35)31-28(36)32-24-18-20-11-13-22(14-12-20)38-17-7-6-16-37-19-25(30-26(24)33)21-8-2-1-3-9-21/h1-3,8-9,11-14,23-25H,4-7,10,15-19,29H2,(H,30,33)(H,34,35)(H2,31,32,36)/t23-,24+,25+/m0/s1","WBXDQFAEOODUOF-ISJGIBHGSA-N",null,71,{"$nulls":4},7.4,"25.00 C"]
[27478,"6x79_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109259","C[C@@H](CN)C[C@H](Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O","InChI=1S/C17H29N3O2/c1-12-3-5-16(6-4-12)20-10-15(19-11-20)8-14(17(21)22)7-13(2)9-18/h10-14,16H,3-9,18H2,1-2H3,(H,21,22)/t12-,13-,14-,16-/m1/s1","OMGSNJPCQBNRPB-IXYNUQLISA-N",null,">1.0e+2"]
[27495,"6x79_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197578","C[C@H]1[C@@H]2C[C@H](C[C@@H]1NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C2(C)C","InChI=1S/C25H46N4O5S/c1-16-19-14-18(25(19,2)3)15-21(16)27-23(30)22(13-17-9-5-4-6-10-17)29-35(33,34)28-20(24(31)32)11-7-8-12-26/h16-22,28-29H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)/t16-,18+,19-,20-,21-,22-/m0/s1","CVNHXUCHQVVMEP-QOLIXYQJSA-N",null,130]
[27509,"6x79_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575740","OC(=O)C(F)(F)F.NCCCCCC1(CN(Cc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C17H27N2O4P.C2HF3O2/c18-10-6-2-5-9-17(16(20)21)14-19(11-12-24(17,22)23)13-15-7-3-1-4-8-15;3-2(4,5)1(6)7/h1,3-4,7-8H,2,5-6,9-14,18H2,(H,20,21)(H,22,23);(H,6,7)","JBPSAJWTCSGNMX-UHFFFAOYSA-N",null,200]
[27528,"6x79_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326337","CC(C)(C)CCn1cnc(c1)[C@]1(C[C@H]1CCCN)C(O)=O","InChI=1S/C16H27N3O2/c1-15(2,3)6-8-19-10-13(18-11-19)16(14(20)21)9-12(16)5-4-7-17/h10-12H,4-9,17H2,1-3H3,(H,20,21)/t12-,16-/m1/s1","OATNNVUVQQXLHN-MLGOLLRUSA-N",null,420]
[27545,"6x79_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575759","NCCCCC1(CN(Cc2cccc(Cl)c2)CCP1(O)=O)C(O)=O","InChI=1S/C16H24ClN2O4P/c17-14-5-3-4-13(10-14)11-19-8-9-24(22,23)16(12-19,15(20)21)6-1-2-7-18/h3-5,10H,1-2,6-9,11-12,18H2,(H,20,21)(H,22,23)","CYMKCJYHJMQMBX-UHFFFAOYSA-N",null,750]
[27558,"6x79_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197531","CC12CC3CC(C)(C1)CC(C3)(C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C27H48N4O5S/c1-25-13-20-14-26(2,16-25)18-27(15-20,17-25)29-23(32)22(12-19-8-4-3-5-9-19)31-37(35,36)30-21(24(33)34)10-6-7-11-28/h19-22,30-31H,3-18,28H2,1-2H3,(H,29,32)(H,33,34)/t20?,21-,22-,25?,26?,27?/m0/s1","CZSZMCHTTSACDU-SQFQGINYSA-N",null,1100]
[27562,"6x79_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089739","NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NCc1ccc(Cl)cc1)C(O)=O","InChI=1S/C23H35ClN4O4/c24-18-11-9-17(10-12-18)15-26-21(29)20(14-16-6-2-1-3-7-16)28-23(32)27-19(22(30)31)8-4-5-13-25/h9-12,16,19-20H,1-8,13-15,25H2,(H,26,29)(H,30,31)(H2,27,28,32)/t19-,20+/m0/s1","VBPKSMGVSGMMAR-VQTJNVASSA-N",null,1200]
[27589,"6x79_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395730","Nc1ncc(CC(C[Se][Se]CC(Cc2cnc(N)c(Cl)c2)C(O)=O)C(O)=O)cc1Cl","InChI=1S/C18H20Cl2N4O4Se2/c19-13-3-9(5-23-15(13)21)1-11(17(25)26)7-29-30-8-12(18(27)28)2-10-4-14(20)16(22)24-6-10/h3-6,11-12H,1-2,7-8H2,(H2,21,23)(H2,22,24)(H,25,26)(H,27,28)","LKLRNWHRLUKWFJ-UHFFFAOYSA-N",null,3300]
[27595,"6x79_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226610","CCCn1cnc(C[C@H](CCCN)C(O)=O)c1","InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s1","OTDGPKRCQXSTPV-JTQLQIEISA-N",null,5000]
[27612,"6x79_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575751","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2cccnc2)CCP1(O)=O)C(O)=O","InChI=1S/C15H24N3O4P.C2HF3O2/c16-6-2-1-5-15(14(19)20)12-18(8-9-23(15,21)22)11-13-4-3-7-17-10-13;3-2(4,5)1(6)7/h3-4,7,10H,1-2,5-6,8-9,11-12,16H2,(H,19,20)(H,21,22);(H,6,7)","YWJYYQOJGKUZDS-UHFFFAOYSA-N",null,8000]
[27637,"6x79_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575746","OC(=O)C(F)(F)F.CCCCCN1CCP(O)(=O)C(CCCCN)(C1)C(O)=O","InChI=1S/C14H29N2O4P.C2HF3O2/c1-2-3-6-9-16-10-11-21(19,20)14(12-16,13(17)18)7-4-5-8-15;3-2(4,5)1(6)7/h2-12,15H2,1H3,(H,17,18)(H,19,20);(H,6,7)","GTJSIOCTVDRGGF-UHFFFAOYSA-N",null,20100]
[27645,"6x79_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197529","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CC1CCC(N)CC1)C(O)=O","InChI=1S/C28H50N4O5S/c1-27(2)20-13-14-28(27,3)24(17-20)30-25(33)22(15-18-7-5-4-6-8-18)31-38(36,37)32-23(26(34)35)16-19-9-11-21(29)12-10-19/h18-24,31-32H,4-17,29H2,1-3H3,(H,30,33)(H,34,35)/t19?,20-,21?,22+,23+,24+,28+/m1/s1","ZUVKLOWIUQUADU-MMFKTKKRSA-N",null,">30000"]
[27669,"6x79_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008277","CCc1cnc2CC(CCCN)(CCn12)C(O)=O","InChI=1S/C13H21N3O2/c1-2-10-9-15-11-8-13(12(17)18,4-3-6-14)5-7-16(10)11/h9H,2-8,14H2,1H3,(H,17,18)","LZWVQAPNCQXHEO-UHFFFAOYSA-N",null,">100000"]
[27678,"6x79_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401899","Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25)","YOFJPZPGHXWQJB-UHFFFAOYSA-N",null,170]
[27686,"6x79_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401904","O=C(NCCCNc1nc(Nc2cccc(c2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-4-1-5-19)27-11-3-10-26-23-22(18-8-9-18)17-28-25(30-23)29-20-6-2-7-21(16-20)31-12-14-33-15-13-31/h2,6-7,16-19H,1,3-5,8-15H2,(H,27,32)(H2,26,28,29,30)","IBJXOEFBZCQHEA-UHFFFAOYSA-N",null,580]
[27711,"6x6p_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401926","O=C(NCCCNc1nc(Nc2cccnc2)ncc1C1CC1)C1CCC1","InChI=1S/C20H26N6O/c27-19(15-4-1-5-15)23-11-3-10-22-18-17(14-7-8-14)13-24-20(26-18)25-16-6-2-9-21-12-16/h2,6,9,12-15H,1,3-5,7-8,10-11H2,(H,23,27)(H2,22,24,25,26)","DAAZPAUBEVGXFD-UHFFFAOYSA-N",null,">1000"]
[27728,"6x6p_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401925","O=C(NCCCNc1nc(Nc2ccc(nc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C24H33N7O2/c32-23(18-3-1-4-18)26-10-2-9-25-22-20(17-5-6-17)16-28-24(30-22)29-19-7-8-21(27-15-19)31-11-13-33-14-12-31/h7-8,15-18H,1-6,9-14H2,(H,26,32)(H2,25,28,29,30)","OGBCWLLWFKPBKH-UHFFFAOYSA-N",null,490]
[27734,"6x6p_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401926","O=C(NCCCNc1nc(Nc2cccnc2)ncc1C1CC1)C1CCC1","InChI=1S/C20H26N6O/c27-19(15-4-1-5-15)23-11-3-10-22-18-17(14-7-8-14)13-24-20(26-18)25-16-6-2-9-21-12-16/h2,6,9,12-15H,1,3-5,7-8,10-11H2,(H,23,27)(H2,22,24,25,26)","DAAZPAUBEVGXFD-UHFFFAOYSA-N",null,">1000"]
[27761,"7deo_D",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,460]
[27766,"7deo_D",0.3,"Spike protein S1","Endochitinase B1 [A217G]","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,4240]
[27794,"7deo_D",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM22858","[O-][N+](=O)c1ccc-2c(c1)C(=O)C(=O)c1ccccc-21","InChI=1S/C14H7NO4/c16-13-11-4-2-1-3-9(11)10-6-5-8(15(18)19)7-12(10)14(13)17/h1-7H","KNAXWOBOCVVMST-UHFFFAOYSA-N",null,null,6810,{"$nulls":3},7.5,"30.00 C"]
[27795,"7deo_D",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25465","CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@@]3(C)CC[C@H](O)C[C@]33C=C[C@]21C(C3C(O)=O)C(O)=O","InChI=1S/C25H32O6/c1-13(26)15-4-5-16-22(15,2)8-7-17-23(3)9-6-14(27)12-24(23)10-11-25(16,17)19(21(30)31)18(24)20(28)29/h7,10-11,14-16,18-19,27H,4-6,8-9,12H2,1-3H3,(H,28,29)(H,30,31)/t14-,15+,16+,18?,19?,22+,23+,24-,25-/m0/s1","NEZTUQCJKXTWFV-JIQJOFIQSA-N",null,null,127190,{"$nulls":3},7.5,"30.00 C"]
[27814,"6xf6_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401904","O=C(NCCCNc1nc(Nc2cccc(c2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-4-1-5-19)27-11-3-10-26-23-22(18-8-9-18)17-28-25(30-23)29-20-6-2-7-21(16-20)31-12-14-33-15-13-31/h2,6-7,16-19H,1,3-5,8-15H2,(H,27,32)(H2,26,28,29,30)","IBJXOEFBZCQHEA-UHFFFAOYSA-N",null,580]
[27828,"6xf6_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401927","O=C(NCCCNc1nc(Nc2ccc(cc2)-n2cncn2)ncc1C1CC1)C1CCC1","InChI=1S/C23H28N8O/c32-22(17-3-1-4-17)26-12-2-11-25-21-20(16-5-6-16)13-27-23(30-21)29-18-7-9-19(10-8-18)31-15-24-14-28-31/h7-10,13-17H,1-6,11-12H2,(H,26,32)(H2,25,27,29,30)","UNJQFYGCPVIKPA-UHFFFAOYSA-N",null,150]
[27846,"6zwv_A",0.3,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50046145","CCCCCCCCCCCCCCC[C@@]1(O)C[N+](C)(C)C[C@@H](CC([O-])=O)O1","InChI=1S/C23H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)20-24(2,3)19-21(28-23)18-22(25)26/h21,27H,4-20H2,1-3H3/t21-,23+/m1/s1","SPDGRWIGMIHIAC-GGAORHGYSA-N",4200]
[27861,"6zwv_A",0.3,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50284164","CCCCCCCCCCCCCCCC[C@@]1(O)C[N+](C)(C)CCO1","InChI=1S/C22H46NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(24)21-23(2,3)19-20-25-22/h24H,4-21H2,1-3H3/q+1/t22-/m0/s1","YEQJDGNZWPTPII-QFIPXVFZSA-N",null,235000]
[27878,"6zwv_C",0.3,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403039","COc1ccc(Cl)cc1S(=O)(=O)N1CC(Oc2ccc(cc12)C(=O)Nc1cccc(F)c1)C(O)=O","InChI=1S/C23H18ClFN2O7S/c1-33-19-8-6-14(24)10-21(19)35(31,32)27-12-20(23(29)30)34-18-7-5-13(9-17(18)27)22(28)26-16-4-2-3-15(25)11-16/h2-11,20H,12H2,1H3,(H,26,28)(H,29,30)","RMZZHWOSLFWWAJ-UHFFFAOYSA-N",null,">100000"]
[27894,"7nx8_C",0.3,"Spike protein S15","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10849","Cn1cnc2n(C)c(=O)n(C)c(=O)c12","InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3","RYYVLZVUVIJVGH-UHFFFAOYSA-N",null,469000,{"$nulls":4},5.5,"37.00 C"]
[27911,"7nx8_C",0.3,"Spike protein S32","Endochitinase B1 [M243A]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,18000]
[27926,"7nx8_C",0.3,"Spike protein S47","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25464","Nc1nc(Sc2ccc([N+]([O-])=O)c3nonc23)c2[nH]cnc2n1","InChI=1S/C11H6N8O3S/c12-11-15-9-8(13-3-14-9)10(16-11)23-5-2-1-4(19(20)21)6-7(5)18-22-17-6/h1-3H,(H3,12,13,14,15,16)","NPXXCZXQTLRXTP-UHFFFAOYSA-N",null,null,15190,{"$nulls":3},7.5,"30.00 C"]
[27944,"6xra_A",0.3,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403037","O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(cs1)-c1ccccn1","InChI=1S/C21H21N3O2S/c25-20(14-26-16-8-2-1-3-9-16)24-13-7-5-11-19(24)21-23-18(15-27-21)17-10-4-6-12-22-17/h1-4,6,8-10,12,15,19H,5,7,11,13-14H2/t19-/m1/s1","BOUYMYAAZCWWFQ-LJQANCHMSA-N",null,4800]
[27957,"6xra_C",0.3,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50122839","CCCCCCCCCCCCCCNC(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C","InChI=1S/C22H45N3O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-23-22(28)24-20(18-21(26)27)19-25(2,3)4/h20H,5-19H2,1-4H3,(H2-,23,24,26,27,28)/t20-/m1/s1","BMZYTDRMCBZVNH-HXUWFJFHSA-N",null,160]
[27977,"6ym0_A",0.3,"Spike glycoprotein","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,1100,{"$nulls":4},5.5,"37.00 C"]
[27994,"6ym0_A",0.3,"Spike glycoprotein","Endochitinase B1 [A217G]","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,4240]
[28006,"6ym0_A",0.3,"Spike glycoprotein","Endochitinase B1 [R301K]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,17000]
[28027,"7m3i_C",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",37000,126000,{"$nulls":4},5.5,"37.00 C"]
[28037,"7m3i_C",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50388142","Cn1cnc2n(C)c(=O)n(CCCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12","InChI=1S/C18H22N8O4/c1-21-9-19-13-11(21)15(27)25(17(29)23(13)3)7-5-6-8-26-16(28)12-14(20-10-22(12)2)24(4)18(26)30/h9-10H,5-8H2,1-4H3","PXFLHKVXISJBOA-UHFFFAOYSA-N",null,9000]
[28044,"7m3i_C",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,460]
[28061,"7m3i_C",0.3,"Spike protein S1","Endochitinase B1 [R301K]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,17000]
[28086,"7m8k_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401922","O=C(NCCCNc1nc(Nc2ccc3CCN(Cc3c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C27H36N6O/c34-26(20-3-1-4-20)29-13-2-12-28-25-24(19-5-6-19)16-30-27(32-25)31-22-8-7-18-11-14-33(23-9-10-23)17-21(18)15-22/h7-8,15-16,19-20,23H,1-6,9-14,17H2,(H,29,34)(H2,28,30,31,32)","MDSQSUYVBCKIKT-UHFFFAOYSA-N",null,570]
[28094,"7m8k_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401900","O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30)","CJPMSUUANYLPET-UHFFFAOYSA-N",null,58]
[28117,"7m8k_C",0.4,"Spike glycoprotein","Histone-lysine N-methyltransferase ASH1L","Homo sapiens","BDBM50530712","N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1cccc(c1)C(N)=O)C(O)=O","InChI=1S/C24H27N7O6/c25-15(24(35)36)7-6-13(5-4-12-2-1-3-14(8-12)21(27)34)9-16-18(32)19(33)23(37-16)31-11-30-17-20(26)28-10-29-22(17)31/h1-3,8,10-11,13,15-16,18-19,23,32-33H,6-7,9,25H2,(H2,27,34)(H,35,36)(H2,26,28,29)/t13-,15-,16+,18+,19+,23+/m0/s1","QRKSTGPKAQGBDD-GGPTZFPQSA-N",null,">10000"]
[28127,"7cab_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401917","CCn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C20H29N7O/c1-2-27-13-16(11-24-27)25-20-23-12-17(14-7-8-14)18(26-20)21-9-4-10-22-19(28)15-5-3-6-15/h11-15H,2-10H2,1H3,(H,22,28)(H2,21,23,25,26)","ATGOJZIHHQXMBT-UHFFFAOYSA-N",null,140]
[28149,"7l3n_A",0.3,"Spike glycoprotein","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25466","CC(=O)Nc1cc2C(=O)c3ccccc3-c2cc1[N+]([O-])=O","InChI=1S/C15H10N2O4/c1-8(18)16-13-6-12-11(7-14(13)17(20)21)9-4-2-3-5-10(9)15(12)19/h2-7H,1H3,(H,16,18)","NKZAKQSPBYLXCN-UHFFFAOYSA-N",null,null,31790,{"$nulls":3},7.5,"30.00 C"]
[28160,"7l3n_A",0.3,"Spike glycoprotein","Endochitinase B1 [T138A]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,65000]
[28177,"7l3n_A",0.3,"Spike glycoprotein","Endochitinase B1 [R301K]","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,2160]
[28197,"7l3n_A",0.3,"Spike glycoprotein","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",{"$nulls":3},810]
[28210,"6xdg_A",0.3,"Spike glycoprotein","Endochitinase B1 [T138A]","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,1210]
[28229,"6xdg_A",0.3,"Spike glycoprotein","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10849","Cn1cnc2n(C)c(=O)n(C)c(=O)c12","InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3","RYYVLZVUVIJVGH-UHFFFAOYSA-N",null,null,469000,{"$nulls":3},5.5]
[28243,"7l0n_K",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25460","OC(=O)CS(=O)c1ccc2-c3ccccc3C(=O)c3cccc1c23","InChI=1S/C19H12O4S/c20-17(21)10-24(23)16-9-8-12-11-4-1-2-5-13(11)19(22)15-7-3-6-14(16)18(12)15/h1-9H,10H2,(H,20,21)","WUJCZHVABXHBKL-UHFFFAOYSA-N",null,null,180350]
[28260,"7l0n_K",0.3,"Spike protein S1","Endochitinase B1 [M243A]","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,9390]
[28277,"7l0n_K",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM81342","CNC(=O)NC(N)=NCCC[C@H](NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(O)=O","InChI=1S/C24H35N7O8/c1-14(32)28-16(10-7-11-27-23(25)30-24(39)26-2)21(36)31(3)18(12-15-8-5-4-6-9-15)20(35)29-17(22(37)38)13-19(33)34/h4-6,8-9,16-18H,7,10-13H2,1-3H3,(H,28,32)(H,29,35)(H,33,34)(H,37,38)(H4,25,26,27,30,39)/t16-,17-,18-/m0/s1","UFMHANUUWPWJKF-BZSNNMDCSA-N",null," 5.1e+3",{"$nulls":4},5.5]
[28293,"7l0n_K",0.3,"Spike protein S1","Endochitinase B1 [Y245F]","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,5570]
[28294,"7l0n_K",0.3,"Spike protein S1","Endochitinase B1 [Y245F]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,64000]
[28310,"7l0n_L",0.3,"Spike protein S1","Endochitinase B1 [E322A]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,45000]
[28327,"7l0n_L",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM81508","Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12","InChI=1S/C17H20N8O4/c1-20-8-18-12-10(20)14(26)24(16(28)22(12)3)6-5-7-25-15(27)11-13(19-9-21(11)2)23(4)17(25)29/h8-9H,5-7H2,1-4H3","KEPIKAFUZRKZMT-UHFFFAOYSA-N",null,200]
[28342,"7l0n_L",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,810,{"$nulls":3},5.5,"37.00 C"]
[28360,"6yz5_A",0.3,"Spike glycoprotein","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25469","[O-][N+](=O)c1ccc(Sc2cccc[n+]2[O-])c2nonc12","InChI=1S/C11H6N4O4S/c16-14-6-2-1-3-9(14)20-8-5-4-7(15(17)18)10-11(8)13-19-12-10/h1-6H","ICCFXXDUYSPKOL-UHFFFAOYSA-N",null,null,19510,{"$nulls":3},7.5,"30.00 C"]
[28374,"6yz5_A",0.3,"Spike glycoprotein","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM81508","Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12","InChI=1S/C17H20N8O4/c1-20-8-18-12-10(20)14(26)24(16(28)22(12)3)6-5-7-25-15(27)11-13(19-9-21(11)2)23(4)17(25)29/h8-9H,5-7H2,1-4H3","KEPIKAFUZRKZMT-UHFFFAOYSA-N",null,200]
[28393,"6yz5_A",0.3,"Spike glycoprotein","Endochitinase B1 [E322A]","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,1370]
[28406,"6yz5_A",0.3,"Spike glycoprotein","Endochitinase B1 [D246A]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,62000]
[28426,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50356158","CC(C)c1cccc2cc[n+](C)c(CCCc3[n+](C)ccc4cccc(C(C)C)c34)c12","InChI=1S/C29H36N2/c1-20(2)24-12-7-10-22-16-18-30(5)26(28(22)24)14-9-15-27-29-23(17-19-31(27)6)11-8-13-25(29)21(3)4/h7-8,10-13,16-21H,9,14-15H2,1-6H3/q+2","FIUWYIYFUPSRSD-UHFFFAOYSA-N",837]
[28443,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50275792","Clc1cc(NCc2ccccc2)n2nccc2n1","InChI=1S/C13H11ClN4/c14-11-8-13(18-12(17-11)6-7-16-18)15-9-10-4-2-1-3-5-10/h1-8,15H,9H2","IFDHYEGUTZWRTK-UHFFFAOYSA-N",null,1100]
[28454,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50275852","FC(F)(F)Oc1cccc(CNc2cc(Cl)nc3ccnn23)c1","InChI=1S/C14H10ClF3N4O/c15-11-7-13(22-12(21-11)4-5-20-22)19-8-9-2-1-3-10(6-9)23-14(16,17)18/h1-7,19H,8H2","RWTSXHLGBPUMJH-UHFFFAOYSA-N",null,11000]
[28476,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50275906","FC(F)(F)c1ccc(CNc2cc(Cl)nc3ccnn23)cc1","InChI=1S/C14H10ClF3N4/c15-11-7-13(22-12(21-11)5-6-20-22)19-8-9-1-3-10(4-2-9)14(16,17)18/h1-7,19H,8H2","KEPUNIVZVSRZSU-UHFFFAOYSA-N",null,">30000"]
[28485,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50561188","CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC1=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N2)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O","InChI=1S/C146H237N43O42S6/c1-16-77(14)115-141(228)162-62-109(195)164-87(40-43-111(197)198)124(211)166-83(31-21-23-47-148)122(209)181-100-65-232-233-66-101-135(222)170-88(41-44-112(199)200)125(212)175-94(56-75(10)11)129(216)180-99(64-191)133(220)186-102(67-234-236-69-104(184-126(213)89(171-136(100)223)42-45-113(201)202)138(225)187-114(76(12)13)142(229)189-51-27-35-106(189)140(227)178-97(143(230)231)58-80-36-38-81(192)39-37-80)134(221)169-85(33-25-49-158-145(153)154)121(208)179-98(63-190)132(219)174-91(53-72(4)5)118(205)161-61-110(196)165-92(54-73(6)7)127(214)173-90(52-71(2)3)117(204)160-60-108(194)163-82(30-20-22-46-147)119(206)183-105(139(226)188-115)70-237-235-68-103(185-130(217)95(172-116(203)78(15)149)57-79-28-18-17-19-29-79)137(224)177-96(59-107(150)193)131(218)176-93(55-74(8)9)128(215)168-84(32-24-48-157-144(151)152)120(207)167-86(123(210)182-101)34-26-50-159-146(155)156/h17-19,28-29,36-39,71-78,82-106,114-115,190-192H,16,20-27,30-35,40-70,147-149H2,1-15H3,(H2,150,193)(H,160,204)(H,161,205)(H,162,228)(H,163,194)(H,164,195)(H,165,196)(H,166,211)(H,167,207)(H,168,215)(H,169,221)(H,170,222)(H,171,223)(H,172,203)(H,173,214)(H,174,219)(H,175,212)(H,176,218)(H,177,224)(H,178,227)(H,179,208)(H,180,216)(H,181,209)(H,182,210)(H,183,206)(H,184,213)(H,185,217)(H,186,220)(H,187,225)(H,188,226)(H,197,198)(H,199,200)(H,201,202)(H,230,231)(H4,151,152,157)(H4,153,154,158)(H4,155,156,159)/t77-,78-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,114-,115-/m0/s1","WDVNVILFNRMATF-XMTLNCGUSA-N",{"$nulls":3},380]
[28509,"7m7w_I",0.3,"Spike protein S1","Endochitinase B1 [D246A]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,62000]
[28526,"7m7w_I",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50388142","Cn1cnc2n(C)c(=O)n(CCCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12","InChI=1S/C18H22N8O4/c1-21-9-19-13-11(21)15(27)25(17(29)23(13)3)7-5-6-8-26-16(28)12-14(20-10-22(12)2)24(4)18(26)30/h9-10H,5-8H2,1-4H3","PXFLHKVXISJBOA-UHFFFAOYSA-N",null,9000,{"$nulls":4},5.5]
[28534,"7m7w_I",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,810,{"$nulls":3},5.5,"37.00 C"]
[28543,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50476809","[I-].[I-].COc1cc2cc[n+](C)c(Cc3ccccc3Cc3[n+](C)ccc4cc(OC)c(OC)cc34)c2cc1OC","InChI=1S/C32H34N2O4/c1-33-13-11-23-17-29(35-3)31(37-5)19-25(23)27(33)15-21-9-7-8-10-22(21)16-28-26-20-32(38-6)30(36-4)18-24(26)12-14-34(28)2/h7-14,17-20H,15-16H2,1-6H3/q+2","KCUMNQNAEZNVSR-UHFFFAOYSA-N",33]
[28565,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50199404","COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)C)cc1OC","InChI=1S/C22H30NO4/c1-23(2)10-9-16-13-21(26-5)22(27-6)14-17(16)18(23)11-15-7-8-19(24-3)20(12-15)25-4/h7-8,12-14,18H,9-11H2,1-6H3/q+1/t18-/m0/s1","RVBHVIRGZXRPRX-SFHVURJKSA-N",1600]
[28576,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50475208","[I-].COc1ccc(CC2c3c(C)cccc3CC[N+]2(C)C)cc1OC","InChI=1S/C21H28NO2.HI/c1-15-7-6-8-17-11-12-22(2,3)18(21(15)17)13-16-9-10-19(23-4)20(14-16)24-5;/h6-10,14,18H,11-13H2,1-5H3;1H/q+1;/p-1","VJGVQFFXOAVZOV-UHFFFAOYSA-M",5500]
[28593,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50474856","C1CC[n+]2ccc(NCCCCNc3cc[n+](CC1)c1ccccc31)c1ccccc21","InChI=1S/C27H30N4/c1-8-18-30-20-14-24(22-10-2-4-12-26(22)30)28-16-6-7-17-29-25-15-21-31(19-9-1)27-13-5-3-11-23(25)27/h2-5,10-15,20-21H,1,6-9,16-19H2/p+2/b28-24+,29-25+","GCCRVTGOPAILGE-NLLYGJECSA-P",null," 9.0"]
[28614,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50473094","Cc1ccc-2c(Cc3cc(C[n+]4ccc(NCCCCCCCCCCNc5cc[n+](C)c6ccccc56)c5ccccc45)ccc-23)c1","InChI=1S/C44H48N4/c1-33-19-21-37-35(29-33)31-36-30-34(20-22-38(36)37)32-48-28-24-42(40-16-10-12-18-44(40)48)46-26-14-8-6-4-3-5-7-13-25-45-41-23-27-47(2)43-17-11-9-15-39(41)43/h9-12,15-24,27-30H,3-8,13-14,25-26,31-32H2,1-2H3/p+2","LXKXLBOARNGCJN-UHFFFAOYSA-P",null,90]
[28626,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50474873","C1CC[n+]2ccc(NCc3ccc(CNc4cc[n+](C1)c1ccccc41)cc3)c1ccccc21","InChI=1S/C30H28N4/c1-3-9-29-25(7-1)27-15-19-33(29)17-5-6-18-34-20-16-28(26-8-2-4-10-30(26)34)32-22-24-13-11-23(12-14-24)21-31-27/h1-4,7-16,19-20H,5-6,17-18,21-22H2/p+2/b31-27+,32-28+","NUXMIFQGKCFEFX-WWQQVGJXSA-P",null,150]
[28645,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50473101","C1Nc2cc[n+](Cc3ccc(cc3)-c3cccc(n3)-c3ccc(C[n+]4ccc(NCc5ccc(Cc6ccc1cc6)cc5)c1ccccc41)cc3)c1ccccc21","InChI=1S/C52H41N5/c1-3-10-51-45(6-1)49-28-30-56(51)35-41-20-24-43(25-21-41)47-8-5-9-48(55-47)44-26-22-42(23-27-44)36-57-31-29-50(46-7-2-4-11-52(46)57)54-34-40-18-14-38(15-19-40)32-37-12-16-39(17-13-37)33-53-49/h1-31H,32-36H2/p+2/b53-49+,54-50+","MSJCPFHRDPDMGR-DIWUDJCKSA-P",null,380]
[28659,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50473104","Nc1cc[n+](Cc2cccc(C[n+]3ccc(N)c4ccccc34)c2)c2ccccc12","InChI=1S/C26H22N4/c27-23-12-14-29(25-10-3-1-8-21(23)25)17-19-6-5-7-20(16-19)18-30-15-13-24(28)22-9-2-4-11-26(22)30/h1-16,27-28H,17-18H2/p+2","JYYNWLHQMJGCSY-UHFFFAOYSA-P",null,800]
[28677,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50470931","C[n+]1ccc(SCCCCCCCCCCSc2cc[n+](C)c3ccccc23)c2ccccc12","InChI=1S/C30H38N2S2/c1-31-21-19-29(25-15-9-11-17-27(25)31)33-23-13-7-5-3-4-6-8-14-24-34-30-20-22-32(2)28-18-12-10-16-26(28)30/h9-12,15-22H,3-8,13-14,23-24H2,1-2H3/q+2","PPIJZXQODIJZTR-UHFFFAOYSA-N",null,3700]
[28692,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50199404","COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)C)cc1OC","InChI=1S/C22H30NO4/c1-23(2)10-9-16-13-21(26-5)22(27-6)14-17(16)18(23)11-15-7-8-19(24-3)20(12-15)25-4/h7-8,12-14,18H,9-11H2,1-6H3/q+1/t18-/m0/s1","RVBHVIRGZXRPRX-SFHVURJKSA-N",null,8700]
[28709,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50475211","[I-].COc1ccc(CC2c3c(Br)cccc3CC[N+]2(C)C)cc1OC","InChI=1S/C20H25BrNO2.HI/c1-22(2)11-10-15-6-5-7-16(21)20(15)17(22)12-14-8-9-18(23-3)19(13-14)24-4;/h5-9,13,17H,10-12H2,1-4H3;1H/q+1;/p-1","HSZCYKSFUCWPPX-UHFFFAOYSA-M",null,35200]
[28725,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50275152","C1CCN(C(C1)c1ccccc1)c1nc2ccccc2[nH]1","InChI=1S/C18H19N3/c1-2-8-14(9-3-1)17-12-6-7-13-21(17)18-19-15-10-4-5-11-16(15)20-18/h1-5,8-11,17H,6-7,12-13H2,(H,19,20)","SWDBIAFYVWQAFY-UHFFFAOYSA-N",null,null,750]
[28742,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50275088","Cc1cc(C)c2CCCC(Nc3nc4ccccc4[nH]3)c2c1","InChI=1S/C19H21N3/c1-12-10-13(2)14-6-5-9-16(15(14)11-12)20-19-21-17-7-3-4-8-18(17)22-19/h3-4,7-8,10-11,16H,5-6,9H2,1-2H3,(H2,20,21,22)","HDRJYUOXDGFTLC-UHFFFAOYSA-N",null,null,33]
[28757,"7m7w_J",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25469","[O-][N+](=O)c1ccc(Sc2cccc[n+]2[O-])c2nonc12","InChI=1S/C11H6N4O4S/c16-14-6-2-1-3-9(14)20-8-5-4-7(15(17)18)10-11(8)13-19-12-10/h1-6H","ICCFXXDUYSPKOL-UHFFFAOYSA-N",null,null,19510,{"$nulls":3},7.5,"30.00 C"]
[28775,"7m7w_J",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50263327","Cc1ccnc(Nc2nc(cs2)-c2ccccn2)c1","InChI=1S/C14H12N4S/c1-10-5-7-16-13(8-10)18-14-17-12(9-19-14)11-4-2-3-6-15-11/h2-9H,1H3,(H,16,17,18)","QMEBVRXZLKAAIG-UHFFFAOYSA-N",null,56]
[28792,"7m7w_J",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50275797","FC(F)(F)Oc1ccccc1CNc1cc(Cl)nc2ccnn12","InChI=1S/C14H10ClF3N4O/c15-11-7-13(22-12(21-11)5-6-20-22)19-8-9-3-1-2-4-10(9)23-14(16,17)18/h1-7,19H,8H2","ZQPVSDKTTNKMQX-UHFFFAOYSA-N",null,10000]
[28805,"7m7w_J",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50264073","N(c1nc(cs1)-c1ccccn1)c1ccccc1","InChI=1S/C14H11N3S/c1-2-6-11(7-3-1)16-14-17-13(10-18-14)12-8-4-5-9-15-12/h1-10H,(H,16,17)","VZHGZKUEVAANEJ-UHFFFAOYSA-N",null,">30000"]
[28809,"7m7w_J",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50275908","[O-][N+](=O)c1ccc(CNc2cc(Cl)nc3ccnn23)cc1","InChI=1S/C13H10ClN5O2/c14-11-7-13(18-12(17-11)5-6-16-18)15-8-9-1-3-10(4-2-9)19(20)21/h1-7,15H,8H2","ZGQJODSAGCOFGG-UHFFFAOYSA-N",null,">30000"]
[28837,"7m7w_J",0.3,"Spike protein S1","Endochitinase B1 [E322A]","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,2930]
[28842,"7m7w_J",0.3,"Spike protein S1","Endochitinase B1 [R301K]","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,2160]
[28869,"7m7w_J",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10849","Cn1cnc2n(C)c(=O)n(C)c(=O)c12","InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3","RYYVLZVUVIJVGH-UHFFFAOYSA-N",null,469000,{"$nulls":4},5.5]
[28875,"7m7w_J",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,43000]
[28892,"7m7w_J",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50476810","[I-].[I-].COc1cc2cc[n+](C)c(CCCCc3[n+](C)ccc4cc(OC)c(OC)cc34)c2cc1OC","InChI=1S/C28H34N2O4/c1-29-13-11-19-15-25(31-3)27(33-5)17-21(19)23(29)9-7-8-10-24-22-18-28(34-6)26(32-4)16-20(22)12-14-30(24)2/h11-18H,7-10H2,1-6H3/q+2","XUGWUTDFIWEFMB-UHFFFAOYSA-N",164]
[28902,"7m7w_J",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50476812","[I-].[I-].C[n+]1ccc2ccccc2c1CCCCCc1[n+](C)ccc2ccccc12","InChI=1S/C25H28N2/c1-26-18-16-20-10-6-8-12-22(20)24(26)14-4-3-5-15-25-23-13-9-7-11-21(23)17-19-27(25)2/h6-13,16-19H,3-5,14-15H2,1-2H3/q+2","MOKFBIHQNJRXAH-UHFFFAOYSA-N",1465]
[28925,"7m7w_J",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50275157","Cc1cc(C)n(n1)-c1nc(C)cc(NC2CCCCC2)n1","InChI=1S/C16H23N5/c1-11-10-15(18-14-7-5-4-6-8-14)19-16(17-11)21-13(3)9-12(2)20-21/h9-10,14H,4-8H2,1-3H3,(H,17,18,19)","USEMRPYUFJNFQN-UHFFFAOYSA-N",">50000"]
[28934,"7m7w_J",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50474870","C1CCNc2cc[n+](Cc3cccc(C[n+]4ccc(NC1)c1ccccc41)c3)c1ccccc21","InChI=1S/C30H28N4/c1-3-12-29-25(10-1)27-14-18-33(29)21-23-8-7-9-24(20-23)22-34-19-15-28(32-17-6-5-16-31-27)26-11-2-4-13-30(26)34/h1-4,7-15,18-20H,5-6,16-17,21-22H2/p+2/b31-27+,32-28?","ZKJOZXWPIQEWBZ-FUQISJQKSA-P",null," 10.0"]
[28958,"7m7w_J",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50473099","C1c2cc3C[n+]4ccc(NCc5ccc(cc5)-c5ccc(CNc6cc[n+](Cc7ccc(c1c7)-c2cc3)c1ccccc61)cc5)c1ccccc41","InChI=1S/C47H36N4/c1-3-7-46-42(5-1)44-21-23-50(46)30-34-13-19-40-38(25-34)27-39-26-35(14-20-41(39)40)31-51-24-22-45(43-6-2-4-8-47(43)51)49-29-33-11-17-37(18-12-33)36-15-9-32(10-16-36)28-48-44/h1-26H,27-31H2/p+2/b48-44+,49-45+","ROGFDFGIYABUSU-UPGPOWGVSA-P",null,120]
[28975,"7m7w_J",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50473109","C1Nc2cc[n+](Cc3ccc(Cc4ccc(C[n+]5ccc(NCc6ccc(Cc7ccc1cc7)cc6)c1ccccc51)cc4)cc3)c1ccccc21","InChI=1S/C48H40N4/c1-3-7-47-43(5-1)45-25-27-51(47)33-41-21-13-37(14-22-41)30-38-15-23-42(24-16-38)34-52-28-26-46(44-6-2-4-8-48(44)52)50-32-40-19-11-36(12-20-40)29-35-9-17-39(18-10-35)31-49-45/h1-28H,29-34H2/p+2/b49-45+,50-46+","DRNSAMLCFLFWME-XMWVESSBSA-P",null,260]
[28982,"7m7w_J",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50473105","Nc1cc[n+](Cc2ccc(cc2)-c2cccc(n2)-c2ccc(C[n+]3ccc(N)c4ccccc34)cc2)c2ccccc12","InChI=1S/C37H29N5/c38-32-20-22-41(36-10-3-1-6-30(32)36)24-26-12-16-28(17-13-26)34-8-5-9-35(40-34)29-18-14-27(15-19-29)25-42-23-21-33(39)31-7-2-4-11-37(31)42/h1-23,38-39H,24-25H2/p+2","WFVSMSPEUHDGKK-UHFFFAOYSA-P",null,360]
[29008,"7m7w_J",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50470934","COc1cc(C[n+]2c(C)cc(NCCCCCCCCCCNc3cc(C)[n+](Cc4cc(OC)cc(OC)c4)c4ccccc34)c3ccccc23)cc(OC)c1","InChI=1S/C48H58N4O4/c1-35-25-45(43-19-13-15-21-47(43)51(35)33-37-27-39(53-3)31-40(28-37)54-4)49-23-17-11-9-7-8-10-12-18-24-50-46-26-36(2)52(48-22-16-14-20-44(46)48)34-38-29-41(55-5)32-42(30-38)56-6/h13-16,19-22,25-32H,7-12,17-18,23-24,33-34H2,1-6H3/p+2","QFQGHXHFZFJLBQ-UHFFFAOYSA-P",null,1700]
[29013,"7m7w_J",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM10447","Cc1cc(NCCCCCCCCCCNc2cc(C)nc3ccccc23)c2ccccc2n1","InChI=1S/C30H38N4/c1-23-21-29(25-15-9-11-17-27(25)33-23)31-19-13-7-5-3-4-6-8-14-20-32-30-22-24(2)34-28-18-12-10-16-26(28)30/h9-12,15-18,21-22H,3-8,13-14,19-20H2,1-2H3,(H,31,33)(H,32,34)","GZIJBIYIMDKOSA-UHFFFAOYSA-N",null,2500]
[29041,"7m7w_J",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50470939","C(CCCCCOc1ccnc2ccccc12)CCCCOc1ccnc2ccccc12","InChI=1S/C28H32N2O2/c1(3-5-11-21-31-27-17-19-29-25-15-9-7-13-23(25)27)2-4-6-12-22-32-28-18-20-30-26-16-10-8-14-24(26)28/h7-10,13-20H,1-6,11-12,21-22H2","LAJYHBHQACMLLZ-UHFFFAOYSA-N",null,18000]
[29042,"7m7w_J",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50260153","CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N2)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O)[C@@H](C)O","InChI=1S/C79H131N31O24S4/c1-35(2)26-49-70(127)107-51-31-136-135-30-41(81)63(120)105-50(28-57(84)114)71(128)108-53(73(130)99-42(12-7-8-22-80)64(121)96-38(5)77(134)110-25-11-15-54(110)75(132)102-47(18-21-58(115)116)69(126)109-59(39(6)111)76(133)95-37(4)62(119)104-49)33-138-137-32-52(106-66(123)44(14-10-24-92-79(88)89)98-65(122)43(13-9-23-91-78(86)87)97-61(118)36(3)94-72(51)129)74(131)101-45(16-19-55(82)112)67(124)100-46(17-20-56(83)113)68(125)103-48(60(85)117)27-40-29-90-34-93-40/h29,34-39,41-54,59,111H,7-28,30-33,80-81H2,1-6H3,(H2,82,112)(H2,83,113)(H2,84,114)(H2,85,117)(H,90,93)(H,94,129)(H,95,133)(H,96,121)(H,97,118)(H,98,122)(H,99,130)(H,100,124)(H,101,131)(H,102,132)(H,103,125)(H,104,119)(H,105,120)(H,106,123)(H,107,127)(H,108,128)(H,109,126)(H,115,116)(H4,86,87,91)(H4,88,89,92)/t36-,37-,38-,39+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1","YVIIHEKJCKCXOB-STYWVVQQSA-N",null,20400]
[29062,"7m7w_J",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50275155","Clc1ccc(CNc2nc3ccccc3[nH]2)cc1","InChI=1S/C14H12ClN3/c15-11-7-5-10(6-8-11)9-16-14-17-12-3-1-2-4-13(12)18-14/h1-8H,9H2,(H2,16,17,18)","GNCUDHLBPMQNEJ-UHFFFAOYSA-N",null,null,640]
[29075,"7m7w_J",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50275053","Clc1ccc2CCCC(Nc3nc4ccccc4[nH]3)c2c1","InChI=1S/C17H16ClN3/c18-12-9-8-11-4-3-7-14(13(11)10-12)19-17-20-15-5-1-2-6-16(15)21-17/h1-2,5-6,8-10,14H,3-4,7H2,(H2,19,20,21)","OJFKMFUSWAIMDW-UHFFFAOYSA-N",null,null,17]
[29093,"6vxx_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575780","Cn1cncc1-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O","InChI=1S/C20H28FN4O4P/c1-24-14-23-11-18(24)17-10-16(21)5-4-15(17)12-25-8-9-30(28,29)20(13-25,19(26)27)6-2-3-7-22/h4-5,10-11,14H,2-3,6-9,12-13,22H2,1H3,(H,26,27)(H,28,29)/t20-/m0/s1","ZBWZIBATIOSFOY-FQEVSTJZSA-N"," 0.750000"]
[29108,"6vxx_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226597","CC(C)Cn1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C12H22N4O2/c1-9(2)6-16-7-10(15-8-16)5-11(12(17)18)14-4-3-13/h7-9,11,14H,3-6,13H2,1-2H3,(H,17,18)/t11-/m0/s1","MLBDFQDXKAYTON-NSHDSACASA-N",100]
[29125,"6vxx_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81906","Cc1ccc(cc1)C(=O)CSc1nnc(COc2ccc3ccccc3c2)o1","InChI=1S/C22H18N2O3S/c1-15-6-8-17(9-7-15)20(25)14-28-22-24-23-21(27-22)13-26-19-11-10-16-4-2-3-5-18(16)12-19/h2-12H,13-14H2,1H3","CTYSPWAJMNQYOQ-UHFFFAOYSA-N"," 1.9e+3"]
[29141,"6vxx_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089688","CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](CCCNC(N)=N)C(O)=O","InChI=1S/C41H60N10O9/c1-24(2)33-37(56)46-30(20-17-26-15-18-28(52)19-16-26)38(57)51(4)25(3)34(53)47-32(23-27-11-6-5-7-12-27)35(54)44-21-9-8-13-29(36(55)50-33)48-41(60)49-31(39(58)59)14-10-22-45-40(42)43/h5-7,11-12,15-16,18-19,24-25,29-33,52H,8-10,13-14,17,20-23H2,1-4H3,(H,44,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H4,42,43,45)(H2,48,49,60)/t25-,29+,30-,31-,32-,33-/m0/s1","ZDOVFDLIJJGVQM-APNXPRSCSA-N",null," 1.5"]
[29158,"6vxx_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50275212","CCC(=O)[Se]CC(Cc1cnc(N)c(Cl)c1)C(O)=O","InChI=1S/C12H15ClN2O3Se/c1-2-10(16)19-6-8(12(17)18)3-7-4-9(13)11(14)15-5-7/h4-5,8H,2-3,6H2,1H3,(H2,14,15)(H,17,18)","DMSZKGIZIIXNLW-UHFFFAOYSA-N",null," 3.7"]
[29173,"6vxx_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395728","CC(C)[C@H](NC(=O)CCc1ccccc1)P(O)(=O)C[C@@H](CCCCCN)C(O)=O","InChI=1S/C21H35N2O5P/c1-16(2)20(23-19(24)13-12-17-9-5-3-6-10-17)29(27,28)15-18(21(25)26)11-7-4-8-14-22/h3,5-6,9-10,16,18,20H,4,7-8,11-15,22H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/t18-,20-/m1/s1","DEWOTLFUKYSXIE-UYAOXDASSA-N",null," 5.5"]
[29191,"6vxx_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109253","C[C@H]1CC[C@@H](CC1)n1cnc(CC(OCCN)C(O)=O)c1","InChI=1S/C15H25N3O3/c1-11-2-4-13(5-3-11)18-9-12(17-10-18)8-14(15(19)20)21-7-6-16/h9-11,13-14H,2-8,16H2,1H3,(H,19,20)/t11-,13-,14?","MYFSJRVPQSXHMT-LTXMZBCZSA-N",null," 8.1"]
[29205,"6vxx_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109262","NCCCC(Cc1cn(cn1)[C@H]1CC[C@@H](CC1)Oc1ccncc1)C(O)=O","InChI=1S/C20H28N4O3/c21-9-1-2-15(20(25)26)12-16-13-24(14-23-16)17-3-5-18(6-4-17)27-19-7-10-22-11-8-19/h7-8,10-11,13-15,17-18H,1-6,9,12,21H2,(H,25,26)/t15?,17-,18-","WYBOFISFENYTDE-DNLFPKPLSA-N",null," 9.8"]
[29224,"6vxx_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109240","CCC1CC(C1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C15H25N3O2/c1-2-11-6-14(7-11)18-9-13(17-10-18)8-12(15(19)20)4-3-5-16/h9-12,14H,2-8,16H2,1H3,(H,19,20)","NAMYEQZWSGWUPW-UHFFFAOYSA-N",null,14]
[29241,"6vxx_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109261","NCCCC(Cc1cn(cn1)[C@@H]1CC[C@H](O)CC1)C(O)=O","InChI=1S/C15H25N3O3/c16-7-1-2-11(15(20)21)8-12-9-18(10-17-12)13-3-5-14(19)6-4-13/h9-11,13-14,19H,1-8,16H2,(H,20,21)/t11?,13-,14+","CEXOYROFZTUKIF-QXMXGUDHSA-N",null,19]
[29253,"6vxx_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144336","CC(C)CCn1cnc(c1)C(Cc1cnc(N)c(C)c1)C(O)=O","InChI=1S/C17H24N4O2/c1-11(2)4-5-21-9-15(20-10-21)14(17(22)23)7-13-6-12(3)16(18)19-8-13/h6,8-11,14H,4-5,7H2,1-3H3,(H2,18,19)(H,22,23)","OZYRJZYEHVFCDS-UHFFFAOYSA-N",null,23]
[29274,"6vxx_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326367","COC(=O)C1(CC1CC(C)CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccccc1","InChI=1S/C28H39N3O6/c1-19(16-31(24(33)36-26(2,3)4)25(34)37-27(5,6)7)14-20-15-28(20,23(32)35-8)22-17-30(18-29-22)21-12-10-9-11-13-21/h9-13,17-20H,14-16H2,1-8H3","LUBPGZAVMNOCDD-UHFFFAOYSA-N",null," 35.0",{"$nulls":4},7.4,"25.00 C"]
[29285,"6vxx_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089741","NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NC1CC2CCC1C2)C(O)=O","InChI=1S/C23H40N4O4/c24-11-5-4-8-18(22(29)30)26-23(31)27-20(13-15-6-2-1-3-7-15)21(28)25-19-14-16-9-10-17(19)12-16/h15-20H,1-14,24H2,(H,25,28)(H,29,30)(H2,26,27,31)/t16?,17?,18-,19?,20+/m0/s1","HKPGTWCJLYFZSN-AXGZHYKBSA-N",null,39]
[29291,"6vxx_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326345","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(C)c(C)c1","InChI=1S/C29H41N3O6/c1-19-12-13-22(15-20(19)2)31-17-23(30-18-31)29(24(33)36-9)16-21(29)11-10-14-32(25(34)37-27(3,4)5)26(35)38-28(6,7)8/h12-13,15,17-18,21H,10-11,14,16H2,1-9H3","MBUJRUXYFIOFLK-UHFFFAOYSA-N",null," 42.0"]
[29308,"6vxx_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326352","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(F)c(F)c1","InChI=1S/C27H35F2N3O6/c1-25(2,3)37-23(34)32(24(35)38-26(4,5)6)12-8-9-17-14-27(17,22(33)36-7)21-15-31(16-30-21)18-10-11-19(28)20(29)13-18/h10-11,13,15-17H,8-9,12,14H2,1-7H3","UZMGUAFNSMLASL-UHFFFAOYSA-N",null," 61.0"]
[29333,"6vxx_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326372","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1cccs1","InChI=1S/C25H35N3O6S/c1-23(2,3)33-21(30)28(22(31)34-24(4,5)6)12-8-10-17-14-25(17,20(29)32-7)18-15-27(16-26-18)19-11-9-13-35-19/h9,11,13,15-17H,8,10,12,14H2,1-7H3","YUTZPEWUFUNCCP-UHFFFAOYSA-N",null," 100.0"]
[29341,"6vxx_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008273","NCCC[C@]1(CCc2c(C1)ncn2C1CCCCC1)C(O)=O","InChI=1S/C17H27N3O2/c18-10-4-8-17(16(21)22)9-7-15-14(11-17)19-12-20(15)13-5-2-1-3-6-13/h12-13H,1-11,18H2,(H,21,22)/t17-/m1/s1","HYXCCZTWQBSAJR-QGZVFWFLSA-N",null,117]
[29365,"6vxx_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197555","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C22H40N4O5S/c1-21(2)15-9-10-22(21,3)18(13-15)24-19(27)17(12-14-7-8-14)26-32(30,31)25-16(20(28)29)6-4-5-11-23/h14-18,25-26H,4-13,23H2,1-3H3,(H,24,27)(H,28,29)/t15-,16+,17+,18+,22+/m1/s1","NMXBBBBKSIKPCR-JVOBEXOSSA-N",null,230]
[29374,"6vxx_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326396","CC[C@@H](CN)C[C@@H]1C[C@@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C17H22N4O2/c1-2-12(9-18)7-13-8-17(13,16(22)23)14-10-21(11-20-14)15-5-3-4-6-19-15/h3-6,10-13H,2,7-9,18H2,1H3,(H,22,23)/t12-,13-,17+/m1/s1","BEUXTDNZDSFKGE-XNJGSVPQSA-N",null,360]
[29397,"6vxx_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089697","CC(C)(C)CNC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C21H40N4O4/c1-21(2,3)14-23-18(26)17(13-15-9-5-4-6-10-15)25-20(29)24-16(19(27)28)11-7-8-12-22/h15-17H,4-14,22H2,1-3H3,(H,23,26)(H,27,28)(H2,24,25,29)/t16-,17+/m0/s1","XWDGSLJVTQYSEC-DLBZAZTESA-N",null,690,{"$nulls":4},7.4,"25.00 C"]
[29407,"6vxx_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008271","CCCn1cnc2C[C@@](CCCN)(CCc12)C(O)=O","InChI=1S/C14H23N3O2/c1-2-8-17-10-16-11-9-14(13(18)19,5-3-7-15)6-4-12(11)17/h10H,2-9,15H2,1H3,(H,18,19)/t14-/m1/s1","DPDWQELEXVLQSO-CQSZACIVSA-N",null,1000]
[29424,"6vxx_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575737","OC(=O)C(F)(F)F.NCCCCCC1(CCCCCCCP1(O)=O)C(O)=O","InChI=1S/C14H28NO4P.C2HF3O2/c15-11-7-4-6-10-14(13(16)17)9-5-2-1-3-8-12-20(14,18)19;3-2(4,5)1(6)7/h1-12,15H2,(H,16,17)(H,18,19);(H,6,7)","YKJIFLVZYLYOAK-UHFFFAOYSA-N",null,1500]
[29445,"6vxx_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395738","CC(=O)SCC(CCCCCN)C(O)=O","InChI=1S/C10H19NO3S/c1-8(12)15-7-9(10(13)14)5-3-2-4-6-11/h9H,2-7,11H2,1H3,(H,13,14)","AFSFNKKPRPMFHO-UHFFFAOYSA-N",null,3800]
[29457,"6vxx_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144327","Nc1ncc(CC(C(O)=O)c2cnc[nH]2)cc1F","InChI=1S/C11H11FN4O2/c12-8-2-6(3-15-10(8)13)1-7(11(17)18)9-4-14-5-16-9/h2-5,7H,1H2,(H2,13,15)(H,14,16)(H,17,18)","SMMKWWBBCKGWEQ-UHFFFAOYSA-N",null,6700]
[29477,"6vxx_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144343","Nc1cccc(CC(C(O)=O)c2cnc[nH]2)n1","InChI=1S/C11H12N4O2/c12-10-3-1-2-7(15-10)4-8(11(16)17)9-5-13-6-14-9/h1-3,5-6,8H,4H2,(H2,12,15)(H,13,14)(H,16,17)","PAWOJNNZSAZPFM-UHFFFAOYSA-N",null,15000]
[29490,"6vxx_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575746","OC(=O)C(F)(F)F.CCCCCN1CCP(O)(=O)C(CCCCN)(C1)C(O)=O","InChI=1S/C14H29N2O4P.C2HF3O2/c1-2-3-6-9-16-10-11-21(19,20)14(12-16,13(17)18)7-4-5-8-15;3-2(4,5)1(6)7/h2-12,15H2,1H3,(H,17,18)(H,19,20);(H,6,7)","GTJSIOCTVDRGGF-UHFFFAOYSA-N",null,20100]
[29507,"6vxx_C",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575732","OC(=O)C(F)(F)F.NCCCCCCC1(CCCCP1(O)=O)C(O)=O","InChI=1S/C12H24NO4P.C2HF3O2/c13-9-5-2-1-3-7-12(11(14)15)8-4-6-10-18(12,16)17;3-2(4,5)1(6)7/h1-10,13H2,(H,14,15)(H,16,17);(H,6,7)","XDGARBGWYWYZQY-UHFFFAOYSA-N",null,">30000"]
[29510,"6vxx_C",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197551","NCCCC[C@H](NS(=O)(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O","InChI=1S/C18H32N4O5S/c19-4-2-1-3-15(17(24)25)22-28(26,27)20-11-16(23)21-18-8-12-5-13(9-18)7-14(6-12)10-18/h12-15,20,22H,1-11,19H2,(H,21,23)(H,24,25)/t12?,13?,14?,15-,18?/m0/s1","HTKDZHKDQXOVDZ-URZJAHPPSA-N",null,">30000"]
[29540,"6vxx_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401901","CN1CCC(CC1)c1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C27H38N6O/c1-33-16-12-20(13-17-33)19-8-10-23(11-9-19)31-27-30-18-24(21-6-7-21)25(32-27)28-14-3-15-29-26(34)22-4-2-5-22/h8-11,18,20-22H,2-7,12-17H2,1H3,(H,29,34)(H2,28,30,31,32)","KDVSDCOOYFNFIM-UHFFFAOYSA-N",null,660]
[29541,"6vxx_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401926","O=C(NCCCNc1nc(Nc2cccnc2)ncc1C1CC1)C1CCC1","InChI=1S/C20H26N6O/c27-19(15-4-1-5-15)23-11-3-10-22-18-17(14-7-8-14)13-24-20(26-18)25-16-6-2-9-21-12-16/h2,6,9,12-15H,1,3-5,7-8,10-11H2,(H,23,27)(H2,22,24,25,26)","DAAZPAUBEVGXFD-UHFFFAOYSA-N",null,">1000"]
[29557,"7kmb_B",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401921","Cn1ncc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C23H29N7O/c1-30-20-9-8-18(12-17(20)13-27-30)28-23-26-14-19(15-6-7-15)21(29-23)24-10-3-11-25-22(31)16-4-2-5-16/h8-9,12-16H,2-7,10-11H2,1H3,(H,25,31)(H2,24,26,28,29)","ZWBYSALZHQDDEL-UHFFFAOYSA-N",null,380]
[29573,"7jwb_D",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401914","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O/c31-22(17-5-3-6-17)25-12-4-11-24-21-20(16-9-10-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-1-2-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BGULRIZNMKERDJ-UHFFFAOYSA-N",null,93]
[29590,"7jwb_D",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401911","CC(C)N1CCC(CC1)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C26H40N8O/c1-18(2)33-13-9-22(10-14-33)34-17-21(15-30-34)31-26-29-16-23(19-7-8-19)24(32-26)27-11-4-12-28-25(35)20-5-3-6-20/h15-20,22H,3-14H2,1-2H3,(H,28,35)(H2,27,29,31,32)","MJCWEXGCJMNQGR-UHFFFAOYSA-N",null,3000]
[29607,"7k9z_E",0.3,"Spike protein S1","Endochitinase B1 [E322A]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,45000]
[29621,"7k9z_E",0.3,"Spike protein S1","Endochitinase B1 [T138A]","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,1210]
[29640,"7k9z_E",0.4,"Spike protein S2","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10847","Cn1c2nc[nH]c2c(=O)n(C)c1=O","InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)","ZFXYFBGIUFBOJW-UHFFFAOYSA-N",null,1500000]
[29653,"7mkm_C",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25462","[O-][N+](=O)c1cc2C(=O)c3ccccc3-c2cc1[N+]([O-])=O","InChI=1S/C13H6N2O5/c16-13-8-4-2-1-3-7(8)9-5-11(14(17)18)12(15(19)20)6-10(9)13/h1-6H","BTCGQAJWZRCLRP-UHFFFAOYSA-N",null,null,37110]
[29673,"7mkm_C",0.3,"Spike protein S1","Endochitinase B1 [R301K]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,17000]
[29690,"7mkm_C",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10849","Cn1cnc2n(C)c(=O)n(C)c(=O)c12","InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3","RYYVLZVUVIJVGH-UHFFFAOYSA-N",null,469000,{"$nulls":4},5.5]
[29701,"7mkm_C",0.3,"Spike protein S1","Endochitinase B1 [M243A]","Aspergillus fumigatiaffinis","BDBM10853","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,1730]
[29723,"7l7k_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401926","O=C(NCCCNc1nc(Nc2cccnc2)ncc1C1CC1)C1CCC1","InChI=1S/C20H26N6O/c27-19(15-4-1-5-15)23-11-3-10-22-18-17(14-7-8-14)13-24-20(26-18)25-16-6-2-9-21-12-16/h2,6,9,12-15H,1,3-5,7-8,10-11H2,(H,23,27)(H2,22,24,25,26)","DAAZPAUBEVGXFD-UHFFFAOYSA-N",null,">1000"]
[29733,"7l7k_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403040","COc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccc(cc12)C(=O)Nc1ccc(cc1)C(O)=O","InChI=1S/C23H19ClN2O6S/c1-32-20-9-6-17(24)13-21(20)33(30,31)26-11-10-14-2-3-16(12-19(14)26)22(27)25-18-7-4-15(5-8-18)23(28)29/h2-9,12-13H,10-11H2,1H3,(H,25,27)(H,28,29)","SPZKHICEEDMLAD-UHFFFAOYSA-N",null,740]
[29756,"7l7k_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401913","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O2/c31-22(17-3-1-4-17)25-10-2-9-24-21-20(16-5-6-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-11-32-12-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BPUHLRZXPRJIDO-UHFFFAOYSA-N",null,null,280]
[29773,"7l7k_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50122839","CCCCCCCCCCCCCCNC(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C","InChI=1S/C22H45N3O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-23-22(28)24-20(18-21(26)27)19-25(2,3)4/h20H,5-19H2,1-4H3,(H2-,23,24,26,27,28)/t20-/m1/s1","BMZYTDRMCBZVNH-HXUWFJFHSA-N",null,160]
[29781,"7l7k_C",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50118093","OC(=O)C(=O)c1ccc(O)cc1","InChI=1S/C8H6O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,9H,(H,11,12)","KXFJZKUFXHWWAJ-UHFFFAOYSA-N",null,">100000"]
[29790,"7m6d_C",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25464","Nc1nc(Sc2ccc([N+]([O-])=O)c3nonc23)c2[nH]cnc2n1","InChI=1S/C11H6N8O3S/c12-11-15-9-8(13-3-14-9)10(16-11)23-5-2-1-4(19(20)21)6-7(5)18-22-17-6/h1-3H,(H3,12,13,14,15,16)","NPXXCZXQTLRXTP-UHFFFAOYSA-N",null,null,15190,{"$nulls":3},7.5,"30.00 C"]
[29813,"7m6d_C",0.3,"Spike protein S1","Endochitinase B1 [M243A]","Aspergillus fumigatiaffinis","BDBM10854","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,9390]
[29823,"7m6d_C",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50388141","Cn1cnc2n(C)c(=O)n(CCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12","InChI=1S/C16H18N8O4/c1-19-7-17-11-9(19)13(25)23(15(27)21(11)3)5-6-24-14(26)10-12(18-8-20(10)2)22(4)16(24)28/h7-8H,5-6H2,1-4H3","DHOOHIKQTUGDOW-UHFFFAOYSA-N",null,4800,{"$nulls":4},5.5,"37.00 C"]
[29845,"6x29_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401920","Cc1nn(C)c2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C24H31N7O/c1-15-19-10-9-18(13-21(19)31(2)30-15)28-24-27-14-20(16-7-8-16)22(29-24)25-11-4-12-26-23(32)17-5-3-6-17/h9-10,13-14,16-17H,3-8,11-12H2,1-2H3,(H,26,32)(H2,25,27,28,29)","YQQIVRZPQZTHDO-UHFFFAOYSA-N",null,90]
[29856,"6x29_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401905","O=C(NCCCNc1nc(Nc2cccc(c2)-c2cnco2)ncc1C1CC1)C1CCC1","InChI=1S/C24H28N6O2/c31-23(17-4-1-5-17)27-11-3-10-26-22-20(16-8-9-16)13-28-24(30-22)29-19-7-2-6-18(12-19)21-14-25-15-32-21/h2,6-7,12-17H,1,3-5,8-11H2,(H,27,31)(H2,26,28,29,30)","DHEGBWHMLXDRTE-UHFFFAOYSA-N",null,560]
[29873,"6x29_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401899","Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25)","YOFJPZPGHXWQJB-UHFFFAOYSA-N",null,170]
[29893,"6zp0_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305345","CCCn1cnc(C[C@H](OCCN)C(O)=O)c1","InChI=1S/C11H19N3O3/c1-2-4-14-7-9(13-8-14)6-10(11(15)16)17-5-3-12/h7-8,10H,2-6,12H2,1H3,(H,15,16)/t10-/m0/s1","JAMWMFGAEKLEEJ-JTQLQIEISA-N"," 6.7"]
[29906,"6zp0_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226613","NCCN[C@@H](Cc1cn(CCc2ccccc2)cn1)C(O)=O","InChI=1S/C16H22N4O2/c17-7-8-18-15(16(21)22)10-14-11-20(12-19-14)9-6-13-4-2-1-3-5-13/h1-5,11-12,15,18H,6-10,17H2,(H,21,22)/t15-/m0/s1","KIBISFXBVFKORC-HNNXBMFYSA-N",140]
[29925,"6zp0_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226612","NCCN[C@H](Cc1cnc[nH]1)C(O)=O","InChI=1S/C8H14N4O2/c9-1-2-11-7(8(13)14)3-6-4-10-5-12-6/h4-5,7,11H,1-3,9H2,(H,10,12)(H,13,14)/t7-/m1/s1","HRGIXOAUBWGTCB-SSDOTTSWSA-N",17000]
[29939,"6zp0_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089686","CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C41H60N8O9/c1-25(2)34-38(54)44-31(21-18-27-16-19-29(50)20-17-27)39(55)49(4)26(3)35(51)45-33(24-28-12-6-5-7-13-28)36(52)43-23-11-9-14-30(37(53)48-34)46-41(58)47-32(40(56)57)15-8-10-22-42/h5-7,12-13,16-17,19-20,25-26,30-34,50H,8-11,14-15,18,21-24,42H2,1-4H3,(H,43,52)(H,44,54)(H,45,51)(H,48,53)(H,56,57)(H2,46,47,58)/t26-,30+,31-,32-,33-,34-/m0/s1","VNOIUJQJSYNRHB-NCUXDPMLSA-N",null," 1.9"]
[29956,"6zp0_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089756","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCNC(N)=N)C(O)=O","InChI=1S/C26H46N6O4/c1-25(2)17-11-12-26(25,3)15-20(17)30-21(33)19(14-16-8-5-4-6-9-16)32-24(36)31-18(22(34)35)10-7-13-29-23(27)28/h16-20H,4-15H2,1-3H3,(H,30,33)(H,34,35)(H4,27,28,29)(H2,31,32,36)/t17?,18-,19+,20?,26?/m0/s1","FRONFJPZPPGYAX-WKCFZQPLSA-N",null," 4.0"]
[29973,"6zp0_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089691","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C26H46N4O4/c1-25(2)18-12-13-26(25,3)16-21(18)28-22(31)20(15-17-9-5-4-6-10-17)30-24(34)29-19(23(32)33)11-7-8-14-27/h17-21H,4-16,27H2,1-3H3,(H,28,31)(H,32,33)(H2,29,30,34)/t18?,19-,20+,21?,26?/m0/s1","MARJTHQRTDYWGB-HPIYHLJDSA-N",null," 7.0"]
[29989,"6zp0_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326395","CC[C@@H](CN)CC1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C17H22N4O2/c1-2-12(9-18)7-13-8-17(13,16(22)23)14-10-21(11-20-14)15-5-3-4-6-19-15/h3-6,10-13H,2,7-9,18H2,1H3,(H,22,23)/t12-,13?,17-/m1/s1","BEUXTDNZDSFKGE-HTCLMOQTSA-N",null," 8.30"]
[30005,"6zp0_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326389","C[C@@H](CN)CC1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C16H20N4O2/c1-11(8-17)6-12-7-16(12,15(21)22)13-9-20(10-19-13)14-4-2-3-5-18-14/h2-5,9-12H,6-8,17H2,1H3,(H,21,22)/t11-,12?,16-/m1/s1","FKDQZBMTXAMQNM-DLTQXHKRSA-N",null," 11.0"]
[30022,"6zp0_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089742","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](Cc1ccccc1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C26H40N4O4/c1-25(2)18-12-13-26(25,3)16-21(18)28-22(31)20(15-17-9-5-4-6-10-17)30-24(34)29-19(23(32)33)11-7-8-14-27/h4-6,9-10,18-21H,7-8,11-16,27H2,1-3H3,(H,28,31)(H,32,33)(H2,29,30,34)/t18?,19-,20+,21?,26?/m0/s1","AANQTNMGFYVHSF-HPIYHLJDSA-N",null,15]
[30039,"6zp0_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326350","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(F)cc1","InChI=1S/C27H36FN3O6/c1-25(2,3)36-23(33)31(24(34)37-26(4,5)6)14-8-9-18-15-27(18,22(32)35-7)21-16-30(17-29-21)20-12-10-19(28)11-13-20/h10-13,16-18H,8-9,14-15H2,1-7H3","MBMPZGJMHDYWBV-UHFFFAOYSA-N",null," 21.0"]
[30053,"6zp0_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109243","NCCCC(Cc1cn(cn1)[C@H]1CC[C@H](O)CC1)C(O)=O","InChI=1S/C15H25N3O3/c16-7-1-2-11(15(20)21)8-12-9-18(10-17-12)13-3-5-14(19)6-4-13/h9-11,13-14,19H,1-8,16H2,(H,20,21)/t11?,13-,14-","CEXOYROFZTUKIF-RCWADLFESA-N",null,26]
[30056,"6zp0_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326341","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccccc1","InChI=1S/C27H37N3O6/c1-25(2,3)35-23(32)30(24(33)36-26(4,5)6)15-11-12-19-16-27(19,22(31)34-7)21-17-29(18-28-21)20-13-9-8-10-14-20/h8-10,13-14,17-19H,11-12,15-16H2,1-7H3","UJVDFWJVJPJVJK-UHFFFAOYSA-N",null," 27.0"]
[30084,"6zp0_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008272","CC(C)CCn1cnc2C[C@@](CCCN)(CCc12)C(O)=O","InChI=1S/C16H27N3O2.ClH/c1-12(2)5-9-19-11-18-13-10-16(15(20)21,6-3-8-17)7-4-14(13)19;/h11-12H,3-10,17H2,1-2H3,(H,20,21);1H/t16-;/m1./s1","ZKDOGGVTIBLFAB-PKLMIRHRSA-N",null,"<41",{"$nulls":4},7.4,"25.00 C"]
[30089,"6zp0_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173900","CCC[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C25H40N4O6/c1-2-7-19-17-34-14-5-6-15-35-20-11-9-18(10-12-20)16-22(23(30)27-19)29-25(33)28-21(24(31)32)8-3-4-13-26/h9-12,19,21-22H,2-8,13-17,26H2,1H3,(H,27,30)(H,31,32)(H2,28,29,33)/t19-,21-,22+/m0/s1","MUSDITPAESWTFE-ILWGZMRPSA-N",null,49]
[30116,"6zp0_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575763","NCCCCC1(CN(Cc2ccccc2Br)CCP1(O)=O)C(O)=O","InChI=1S/C16H24BrN2O4P/c17-14-6-2-1-5-13(14)11-19-9-10-24(22,23)16(12-19,15(20)21)7-3-4-8-18/h1-2,5-6H,3-4,7-12,18H2,(H,20,21)(H,22,23)","UTNAZQAXWAOANT-UHFFFAOYSA-N",null,87]
[30122,"6zp0_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326362","COC(=O)[C@@]1(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(CCC(C)(C)C)cn1","InChI=1S/C27H45N3O6/c1-24(2,3)13-15-29-17-20(28-18-29)27(21(31)34-10)16-19(27)12-11-14-30(22(32)35-25(4,5)6)23(33)36-26(7,8)9/h17-19H,11-16H2,1-10H3/t19-,27+/m0/s1","XFYXHUURPYELSU-UZTOHYMASA-N",null,">100.0"]
[30139,"6zp0_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008275","NCCCC1(CCc2c(C1)ncn2CCC1CCC(CC1)C1CCCCC1)C(O)=O","InChI=1S/C25H41N3O2/c26-15-4-13-25(24(29)30)14-11-23-22(17-25)27-18-28(23)16-12-19-7-9-21(10-8-19)20-5-2-1-3-6-20/h18-21H,1-17,26H2,(H,29,30)","KUVAYHVUNQWSPM-UHFFFAOYSA-N",null,124]
[30149,"6zp0_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197556","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C25H40N4O5S/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26/h4-6,9-10,18-21,28-29H,7-8,11-16,26H2,1-3H3,(H,27,30)(H,31,32)/t18-,19+,20+,21+,25+/m1/s1","CQFRJAFNJDXKLZ-PHGOAHNDSA-N",null,170]
[30172,"6zp0_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089689","CC[C@@H](C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O","InChI=1S/C45H59N7O10/c1-5-27(2)38-42(58)47-35(23-18-29-14-19-32(53)20-15-29)43(59)52(4)28(3)39(55)48-36(25-30-11-7-6-8-12-30)40(56)46-24-10-9-13-34(41(57)51-38)49-45(62)50-37(44(60)61)26-31-16-21-33(54)22-17-31/h6-8,11-12,14-17,19-22,27-28,34-38,53-54H,5,9-10,13,18,23-26H2,1-4H3,(H,46,56)(H,47,58)(H,48,55)(H,51,57)(H,60,61)(H2,49,50,62)/t27-,28+,34-,35+,36+,37+,38+/m1/s1","KCAKUFQSCADGHZ-JNFDXLRCSA-N",null,400]
[30181,"6zp0_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326392","C[C@H](CN)C[C@@H]1C[C@@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C16H20N4O2/c1-11(8-17)6-12-7-16(12,15(21)22)13-9-20(10-19-13)14-4-2-3-5-18-14/h2-5,9-12H,6-8,17H2,1H3,(H,21,22)/t11-,12+,16-/m0/s1","FKDQZBMTXAMQNM-OZVIIMIRSA-N",null,490]
[30205,"6zp0_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575754","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccoc2)CCP1(O)=O)C(O)=O","InChI=1S/C14H23N2O5P.C2HF3O2/c15-5-2-1-4-14(13(17)18)11-16(6-8-22(14,19)20)9-12-3-7-21-10-12;3-2(4,5)1(6)7/h3,7,10H,1-2,4-6,8-9,11,15H2,(H,17,18)(H,19,20);(H,6,7)","WAYVWYLTVVVTBB-UHFFFAOYSA-N",null,1100]
[30222,"6zp0_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197544","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1ccncc1)C(O)=O","InChI=1S/C27H42N4O5S/c1-26(2)20-9-12-27(26,3)23(17-20)29-24(32)21(15-18-7-5-4-6-8-18)30-37(35,36)31-22(25(33)34)16-19-10-13-28-14-11-19/h10-11,13-14,18,20-23,30-31H,4-9,12,15-17H2,1-3H3,(H,29,32)(H,33,34)/t20-,21+,22+,23+,27+/m1/s1","HDEKKTYMNZXVPF-BXOWXZKISA-N",null,1700]
[30229,"6zp0_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008277","CCc1cnc2CC(CCCN)(CCn12)C(O)=O","InChI=1S/C13H21N3O2/c1-2-10-9-15-11-8-13(12(17)18,4-3-6-14)5-7-16(10)11/h9H,2-8,14H2,1H3,(H,17,18)","LZWVQAPNCQXHEO-UHFFFAOYSA-N",null,2270]
[30255,"6zp0_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144341","NC1CCC(CC(C(O)=O)c2cnc[nH]2)CC1","InChI=1S/C12H19N3O2/c13-9-3-1-8(2-4-9)5-10(12(16)17)11-6-14-7-15-11/h6-10H,1-5,13H2,(H,14,15)(H,16,17)","QDWZLLMKOBKAAN-UHFFFAOYSA-N",null,7000]
[30261,"6zp0_A",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575748","OC(=O)C(F)(F)F.NCCCCC1(CN(CCc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C17H27N2O4P.C2HF3O2/c18-10-5-4-9-17(16(20)21)14-19(12-13-24(17,22)23)11-8-15-6-2-1-3-7-15;3-2(4,5)1(6)7/h1-3,6-7H,4-5,8-14,18H2,(H,20,21)(H,22,23);(H,6,7)","ZOTFJHNLCQTIEX-UHFFFAOYSA-N",null,8700]
[30288,"6zp0_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197547","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCC(N)=O)C(O)=O","InChI=1S/C25H44N4O6S/c1-24(2)17-12-13-25(24,3)20(15-17)27-22(31)19(14-16-8-5-4-6-9-16)29-36(34,35)28-18(23(32)33)10-7-11-21(26)30/h16-20,28-29H,4-15H2,1-3H3,(H2,26,30)(H,27,31)(H,32,33)/t17-,18+,19+,20+,25+/m1/s1","DKUDMGHEJNAILF-PDGNJTGUSA-N",null,">30000"]
[30293,"6zp0_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197529","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CC1CCC(N)CC1)C(O)=O","InChI=1S/C28H50N4O5S/c1-27(2)20-13-14-28(27,3)24(17-20)30-25(33)22(15-18-7-5-4-6-8-18)31-38(36,37)32-23(26(34)35)16-19-9-11-21(29)12-10-19/h18-24,31-32H,4-17,29H2,1-3H3,(H,30,33)(H,34,35)/t19?,20-,21?,22+,23+,24+,28+/m1/s1","ZUVKLOWIUQUADU-MMFKTKKRSA-N",null,">30000"]
[30305,"6zp0_A",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197551","NCCCC[C@H](NS(=O)(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O","InChI=1S/C18H32N4O5S/c19-4-2-1-3-15(17(24)25)22-28(26,27)20-11-16(23)21-18-8-12-5-13(9-18)7-14(6-12)10-18/h12-15,20,22H,1-11,19H2,(H,21,23)(H,24,25)/t12?,13?,14?,15-,18?/m0/s1","HTKDZHKDQXOVDZ-URZJAHPPSA-N",null,">30000"]
[30322,"6zp0_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305351","C[C@H](CN)O[C@@H](Cc1cn(cn1)-c1ccccn1)C(O)=O","InChI=1S/C14H18N4O3/c1-10(7-15)21-12(14(19)20)6-11-8-18(9-17-11)13-4-2-3-5-16-13/h2-5,8-10,12H,6-7,15H2,1H3,(H,19,20)/t10-,12+/m1/s1","QOJWERXDJOWTNM-PWSUYJOCSA-N"," 5.8"]
[30341,"6zp0_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226599","CCn1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C10H18N4O2/c1-2-14-6-8(13-7-14)5-9(10(15)16)12-4-3-11/h6-7,9,12H,2-5,11H2,1H3,(H,15,16)/t9-/m0/s1","RVUXHJZTETWWDB-VIFPVBQESA-N",250]
[30355,"6zp0_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226612","NCCN[C@H](Cc1cnc[nH]1)C(O)=O","InChI=1S/C8H14N4O2/c9-1-2-11-7(8(13)14)3-6-4-10-5-12-6/h4-5,7,11H,1-3,9H2,(H,10,12)(H,13,14)/t7-/m1/s1","HRGIXOAUBWGTCB-SSDOTTSWSA-N",17000]
[30373,"6zp0_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575768","NCCCCC1(CN(Cc2ccccc2-c2cccnc2)CCP1(O)=O)C(O)=O","InChI=1S/C21H28N3O4P/c22-10-4-3-9-21(20(25)26)16-24(12-13-29(21,27)28)15-18-6-1-2-8-19(18)17-7-5-11-23-14-17/h1-2,5-8,11,14H,3-4,9-10,12-13,15-16,22H2,(H,25,26)(H,27,28)","ZARDBEAQXXDVBK-UHFFFAOYSA-N",null," 2.0"]
[30388,"6zp0_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089751","CC1(C)C2CCC1(C)CC2NC(=O)C(CC1CCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C25H44N4O4/c1-24(2)17-11-12-25(24,3)15-20(17)27-21(30)19(14-16-8-4-5-9-16)29-23(33)28-18(22(31)32)10-6-7-13-26/h16-20H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)(H2,28,29,33)/t17?,18-,19?,20?,25?/m0/s1","AFDQLRFIAXCERE-UQGFRLLMSA-N",null," 4.0"]
[30405,"6zp0_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109254","C[C@H](CN)OC(Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O","InChI=1S/C16H27N3O3/c1-11-3-5-14(6-4-11)19-9-13(18-10-19)7-15(16(20)21)22-12(2)8-17/h9-12,14-15H,3-8,17H2,1-2H3,(H,20,21)/t11-,12-,14-,15?/m1/s1","SXFRUTCVXKOOAP-TVAMOIRASA-N",null," 7.0"]
[30421,"6zp0_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326393","C[C@@H](CN)C[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccc(C)cn1","InChI=1S/C17H22N4O2/c1-11-3-4-15(19-8-11)21-9-14(20-10-21)17(16(22)23)6-13(17)5-12(2)7-18/h3-4,8-10,12-13H,5-7,18H2,1-2H3,(H,22,23)/t12-,13+,17-/m1/s1","AAEAYCWJPQORII-IIYDPXPESA-N",null," 8.70"]
[30438,"6zp0_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173923","CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)cc2F","InChI=1S/C27H36FN5O6/c1-16(2)22-15-38-9-3-4-10-39-23-7-5-17(11-19(23)28)12-20(25(34)31-22)32-27(37)33-21(26(35)36)13-18-6-8-24(29)30-14-18/h5-8,11,14,16,20-22H,3-4,9-10,12-13,15H2,1-2H3,(H2,29,30)(H,31,34)(H,35,36)(H2,32,33,37)/t20-,21+,22-/m1/s1","PXDQHVXCCCTJKZ-BHIFYINESA-N",null,12]
[30453,"6zp0_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089748","CCC[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC1CC2(C)CCC1C2(C)C","InChI=1S/C22H40N4O4/c1-5-8-15(25-20(30)26-16(19(28)29)9-6-7-12-23)18(27)24-17-13-22(4)11-10-14(17)21(22,2)3/h14-17H,5-13,23H2,1-4H3,(H,24,27)(H,28,29)(H2,25,26,30)/t14?,15-,16+,17?,22?/m1/s1","DXLYYZBSYPQQBL-VFNIDKIXSA-N",null,15]
[30471,"6zp0_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109242","NCCCC(Cc1cn(cn1)[C@H]1C[C@@H]2C[C@@H]2C1)C(O)=O","InChI=1S/C15H23N3O2/c16-3-1-2-10(15(19)20)5-13-8-18(9-17-13)14-6-11-4-12(11)7-14/h8-12,14H,1-7,16H2,(H,19,20)/t10?,11-,12+,14-","ZZLRTOGULJOLII-NPORBRKHSA-N",null,21]
[30488,"6zp0_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326339","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)C1CCCCC1","InChI=1S/C27H43N3O6/c1-25(2,3)35-23(32)30(24(33)36-26(4,5)6)15-11-12-19-16-27(19,22(31)34-7)21-17-29(18-28-21)20-13-9-8-10-14-20/h17-20H,8-16H2,1-7H3","QEDCJYLUJWBGTA-UHFFFAOYSA-N",null," 29.0"]
[30501,"6zp0_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109241","CC1CC(C1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C14H23N3O2/c1-10-5-13(6-10)17-8-12(16-9-17)7-11(14(18)19)3-2-4-15/h8-11,13H,2-7,15H2,1H3,(H,18,19)","RVVSJGCFVKMYPN-UHFFFAOYSA-N",null,35]
[30521,"6zp0_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197526","Cl.CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C25H46N4O5S.ClH/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26;/h17-21,28-29H,4-16,26H2,1-3H3,(H,27,30)(H,31,32);1H/t18-,19+,20+,21+,25+;/m1./s1","SXAUCWSUBICAAS-LZZNFXAASA-N",null,51,{"$nulls":4},7.4,"25.00 C"]
[30532,"6zp0_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173931","CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C24H40N4O7S/c1-17(2)22-16-34-13-5-6-14-35-19-10-8-18(9-11-19)15-21(23(29)26-22)28-36(32,33)27-20(24(30)31)7-3-4-12-25/h8-11,17,20-22,27-28H,3-7,12-16,25H2,1-2H3,(H,26,29)(H,30,31)/t20-,21+,22+/m0/s1","UHDSHGDMNRMYEP-BHDDXSALSA-N",null,59]
[30538,"6zp0_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326354","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1cccc(Cl)c1","InChI=1S/C28H38ClN3O6/c1-8-36-23(33)28(22-17-31(18-30-22)21-13-9-12-20(29)15-21)16-19(28)11-10-14-32(24(34)37-26(2,3)4)25(35)38-27(5,6)7/h9,12-13,15,17-19H,8,10-11,14,16H2,1-7H3","KTLVMHNIYOLAOG-UHFFFAOYSA-N",null," 70.0"]
[30564,"6zp0_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089740","C[C@H](NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O)c1ccc(Cl)cc1","InChI=1S/C24H37ClN4O4/c1-16(18-10-12-19(25)13-11-18)27-22(30)21(15-17-7-3-2-4-8-17)29-24(33)28-20(23(31)32)9-5-6-14-26/h10-13,16-17,20-21H,2-9,14-15,26H2,1H3,(H,27,30)(H,31,32)(H2,28,29,33)/t16-,20-,21+/m0/s1","XPYKQDYZHBTVDV-ORYQWCPZSA-N",null,110,{"$nulls":4},7.4,"25.00 C"]
[30571,"6zp0_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201437","OC(=O)C(CS)CC1CCCNC1","InChI=1S/C9H17NO2S/c11-9(12)8(6-13)4-7-2-1-3-10-5-7/h7-8,10,13H,1-6H2,(H,11,12)","XILWRBHKVRYWMD-UHFFFAOYSA-N",null,129]
[30588,"6zp0_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575739","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C16H25N2O4P.C2HF3O2/c17-9-5-4-8-16(15(19)20)13-18(10-11-23(16,21)22)12-14-6-2-1-3-7-14;3-2(4,5)1(6)7/h1-3,6-7H,4-5,8-13,17H2,(H,19,20)(H,21,22);(H,6,7)","UXRVDUNGIGAHRC-UHFFFAOYSA-N",null,200]
[30612,"6zp0_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575743","NCCCCC1(CC(Cc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C17H26NO4P/c18-10-5-4-9-17(16(19)20)13-15(8-11-23(17,21)22)12-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13,18H2,(H,19,20)(H,21,22)","OWYIPXCIDKTXAY-UHFFFAOYSA-N",null,500]
[30621,"6zp0_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197550","NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CCC2CCCCC2C1)C(O)=O","InChI=1S/C25H46N4O5S/c26-15-7-6-12-22(25(31)32)28-35(33,34)29-23(16-18-8-2-1-3-9-18)24(30)27-21-14-13-19-10-4-5-11-20(19)17-21/h18-23,28-29H,1-17,26H2,(H,27,30)(H,31,32)/t19?,20?,21?,22-,23-/m0/s1","ACZMKSFVIZOHQL-WBLOSPSNSA-N",null,670]
[30644,"6zp0_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575753","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccco2)CCP1(O)=O)C(O)=O","InChI=1S/C14H23N2O5P.C2HF3O2/c15-6-2-1-5-14(13(17)18)11-16(7-9-22(14,19)20)10-12-4-3-8-21-12;3-2(4,5)1(6)7/h3-4,8H,1-2,5-7,9-11,15H2,(H,17,18)(H,19,20);(H,6,7)","NHUTWXDCZGPHKX-UHFFFAOYSA-N",null,1500]
[30654,"6zp0_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197562","CC1CCCC(C1)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C22H42N4O5S/c1-16-8-7-11-18(14-16)24-21(27)20(15-17-9-3-2-4-10-17)26-32(30,31)25-19(22(28)29)12-5-6-13-23/h16-20,25-26H,2-15,23H2,1H3,(H,24,27)(H,28,29)/t16?,18?,19-,20-/m0/s1","NMIJCOOOMNGWHA-QUDVFMAMSA-N",null,1700]
[30671,"6zp0_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197563","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O","InChI=1S/C25H41N5O5S/c1-24(2)17-9-10-25(24,3)21(12-17)28-22(31)19(11-16-7-5-4-6-8-16)29-36(34,35)30-20(23(32)33)13-18-14-26-15-27-18/h14-17,19-21,29-30H,4-13H2,1-3H3,(H,26,27)(H,28,31)(H,32,33)/t17-,19+,20+,21+,25+/m1/s1","MWDYDFUMFPIWRS-FAJCANAKSA-N",null,4400]
[30692,"6zp0_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173893","NCCCC[C@H](NC(=O)N[C@@H]1Cc2ccc(OCCCCOCCNC1=O)cc2)C(O)=O","InChI=1S/C22H34N4O6/c23-10-2-1-5-18(21(28)29)25-22(30)26-19-15-16-6-8-17(9-7-16)32-13-4-3-12-31-14-11-24-20(19)27/h6-9,18-19H,1-5,10-15,23H2,(H,24,27)(H,28,29)(H2,25,26,30)/t18-,19+/m0/s1","FFCFLBMRACESBH-RBUKOAKNSA-N",null,9044]
[30704,"6zp0_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575728","OC(=O)C(F)(F)F.NCCCCCC1(CCCP1(O)=O)C(O)=O","InChI=1S/C10H20NO4P.C2HF3O2/c11-7-3-1-2-5-10(9(12)13)6-4-8-16(10,14)15;3-2(4,5)1(6)7/h1-8,11H2,(H,12,13)(H,14,15);(H,6,7)","XBJIYYNAOAZQNT-UHFFFAOYSA-N",null,18000]
[30724,"6zp0_C",0.3,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197537","C[C@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC12CC3CC(CC(C3)C1)C2","InChI=1S/C19H34N4O5S/c1-12(22-29(27,28)23-16(18(25)26)4-2-3-5-20)17(24)21-19-9-13-6-14(10-19)8-15(7-13)11-19/h12-16,22-23H,2-11,20H2,1H3,(H,21,24)(H,25,26)/t12-,13?,14?,15?,16-,19?/m0/s1","JCWJMQFYTRMVQI-VYXJFRSESA-N",null,">30000"]
[30737,"6zp0_C",0.3,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575726","OC(=O)C(F)(F)F.NCCCC1(CCCP1(O)=O)C(O)=O","InChI=1S/C8H16NO4P.C2HF3O2/c9-5-1-3-8(7(10)11)4-2-6-14(8,12)13;3-2(4,5)1(6)7/h1-6,9H2,(H,10,11)(H,12,13);(H,6,7)","OTIVHGRHVNBQDX-UHFFFAOYSA-N",null,">30000"]
[30754,"7dzx_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305352","C[C@H](CN)O[C@@H](Cc1cn(cn1)-c1ccccc1)C(O)=O","InChI=1S/C15H19N3O3/c1-11(8-16)21-14(15(19)20)7-12-9-18(10-17-12)13-5-3-2-4-6-13/h2-6,9-11,14H,7-8,16H2,1H3,(H,19,20)/t11-,14+/m1/s1","MAWYISWEMHTKMO-RISCZKNCSA-N"," 7.5"]
[30757,"7dzx_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305349","CCCCn1cnc(CC(OCCN)C(O)=O)c1","InChI=1S/C12H21N3O3/c1-2-3-5-15-8-10(14-9-15)7-11(12(16)17)18-6-4-13/h8-9,11H,2-7,13H2,1H3,(H,16,17)","OKKIGEKMWNYVMZ-UHFFFAOYSA-N",15]
[30787,"7dzx_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81904","O=C(Cn1nnc(n1)-c1cccs1)N1CCc2ccccc2C1","InChI=1S/C16H15N5OS/c22-15(20-8-7-12-4-1-2-5-13(12)10-20)11-21-18-16(17-19-21)14-6-3-9-23-14/h1-6,9H,7-8,10-11H2","TWSRTYYHXLBOCX-UHFFFAOYSA-N"," 3.2e+4"]
[30789,"7dzx_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81903","NC(Cc1ccc2ccnc(N)c2c1)C(O)=O","InChI=1S/C12H13N3O2/c13-10(12(16)17)6-7-1-2-8-3-4-15-11(14)9(8)5-7/h1-5,10H,6,13H2,(H2,14,15)(H,16,17)","IFFBNDWTLOCJIQ-UHFFFAOYSA-N"," 1.45e+5"]
[30804,"7dzx_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395732","Nc1ccc(CC(C[Se][Se]CC(Cc2ccc(N)nc2)C(O)=O)C(O)=O)cn1","InChI=1S/C18H22N4O4Se2/c19-15-3-1-11(7-21-15)5-13(17(23)24)9-27-28-10-14(18(25)26)6-12-2-4-16(20)22-8-12/h1-4,7-8,13-14H,5-6,9-10H2,(H2,19,21)(H2,20,22)(H,23,24)(H,25,26)","MYECLQPAUDYVIW-UHFFFAOYSA-N",null," 2.2"]
[30821,"7dzx_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326336","CC(C)(C)CCn1cnc(c1)[C@]1(C[C@@H]1CCCN)C(O)=O","InChI=1S/C16H27N3O2/c1-15(2,3)6-8-19-10-13(18-11-19)16(14(20)21)9-12(16)5-4-7-17/h10-12H,4-9,17H2,1-3H3,(H,20,21)/t12-,16+/m0/s1","OATNNVUVQQXLHN-BLLLJJGKSA-N",null," 4.50"]
[30837,"7dzx_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109256","CC1(C)CCCC(C1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C17H29N3O2/c1-17(2)7-3-6-15(10-17)20-11-14(19-12-20)9-13(16(21)22)5-4-8-18/h11-13,15H,3-10,18H2,1-2H3,(H,21,22)","ILWZFIDDSWMJSL-UHFFFAOYSA-N",null," 7.5"]
[30854,"7dzx_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395731","CCOC(=O)C(C[Se]C(=O)CC)Cc1ccc(N)nc1","InChI=1S/C14H20N2O3Se/c1-3-13(17)20-9-11(14(18)19-4-2)7-10-5-6-12(15)16-8-10/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,15,16)","UHQFZYXCXBJDLU-UHFFFAOYSA-N",null," 8.9"]
[30869,"7dzx_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197580","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C25H46N4O5S/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26/h17-21,28-29H,4-16,26H2,1-3H3,(H,27,30)(H,31,32)/t18-,19+,20+,21+,25+/m1/s1","IQHARPQKKWCGEY-PHGOAHNDSA-N",null,12]
[30887,"7dzx_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173908","NCCCCC(NC(=O)N[C@@H]1CCCCCCCCOCCNC1=O)C(O)=O","InChI=1S/C19H36N4O5/c20-11-7-6-10-16(18(25)26)23-19(27)22-15-9-5-3-1-2-4-8-13-28-14-12-21-17(15)24/h15-16H,1-14,20H2,(H,21,24)(H,25,26)(H2,22,23,27)/t15-,16?/m1/s1","DVULGIIJYZWCHK-AAFJCEBUSA-N",null,17]
[30901,"7dzx_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109242","NCCCC(Cc1cn(cn1)[C@H]1C[C@@H]2C[C@@H]2C1)C(O)=O","InChI=1S/C15H23N3O2/c16-3-1-2-10(15(19)20)5-13-8-18(9-17-13)14-6-11-4-12(11)7-14/h8-12,14H,1-7,16H2,(H,19,20)/t10?,11-,12+,14-","ZZLRTOGULJOLII-NPORBRKHSA-N",null,21]
[30920,"7dzx_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326375","CC(C)(C)OC(=O)N(CCCC1CC1(C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(cc1)[N+]#[C-])C(=O)OC(C)(C)C","InChI=1S/C31H42N4O6/c1-28(2,3)39-25(36)31(24-19-34(20-33-24)23-15-13-22(32-10)14-16-23)18-21(31)12-11-17-35(26(37)40-29(4,5)6)27(38)41-30(7,8)9/h13-16,19-21H,11-12,17-18H2,1-9H3","FLSIKRXJRXEXHX-UHFFFAOYSA-N",null," 29.0"]
[30937,"7dzx_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089754","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CS(=O)(=O)CCN)C(O)=O","InChI=1S/C25H44N4O6S/c1-24(2)17-9-10-25(24,3)14-19(17)27-21(30)18(13-16-7-5-4-6-8-16)28-23(33)29-20(22(31)32)15-36(34,35)12-11-26/h16-20H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)(H2,28,29,33)/t17?,18-,19?,20+,25?/m1/s1","NMYGKFJQKUMIDO-IFVPPNBGSA-N",null,38]
[30949,"7dzx_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173900","CCC[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C25H40N4O6/c1-2-7-19-17-34-14-5-6-15-35-20-11-9-18(10-12-20)16-22(23(30)27-19)29-25(33)28-21(24(31)32)8-3-4-13-26/h9-12,19,21-22H,2-8,13-17,26H2,1H3,(H,27,30)(H,31,32)(H2,28,29,33)/t19-,21-,22+/m0/s1","MUSDITPAESWTFE-ILWGZMRPSA-N",null,49]
[30970,"7dzx_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173897","NCCCC[C@H](NC(=O)N[C@@H]1Cc2ccc(OCCCCOC[C@@H](NC1=O)c1ccccc1)cc2)C(O)=O","InChI=1S/C28H38N4O6/c29-15-5-4-10-23(27(34)35)31-28(36)32-24-18-20-11-13-22(14-12-20)38-17-7-6-16-37-19-25(30-26(24)33)21-8-2-1-3-9-21/h1-3,8-9,11-14,23-25H,4-7,10,15-19,29H2,(H,30,33)(H,34,35)(H2,31,32,36)/t23-,24+,25+/m0/s1","WBXDQFAEOODUOF-ISJGIBHGSA-N",null,71]
[30981,"7dzx_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089757","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCONC(N)=N)C(O)=O","InChI=1S/C25H44N6O5/c1-24(2)16-9-11-25(24,3)14-19(16)28-20(32)18(13-15-7-5-4-6-8-15)30-23(35)29-17(21(33)34)10-12-36-31-22(26)27/h15-19H,4-14H2,1-3H3,(H,28,32)(H,33,34)(H4,26,27,31)(H2,29,30,35)/t16?,17-,18+,19?,25?/m0/s1","IHAGBLBQHAZSFU-STDKCPAXSA-N",null,100]
[31003,"7dzx_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197578","C[C@H]1[C@@H]2C[C@H](C[C@@H]1NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C2(C)C","InChI=1S/C25H46N4O5S/c1-16-19-14-18(25(19,2)3)15-21(16)27-23(30)22(13-17-9-5-4-6-10-17)29-35(33,34)28-20(24(31)32)11-7-8-12-26/h16-22,28-29H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)/t16-,18+,19-,20-,21-,22-/m0/s1","CVNHXUCHQVVMEP-QOLIXYQJSA-N",null,130]
[31012,"7dzx_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326358","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccncc1","InChI=1S/C27H38N4O6/c1-8-35-22(32)27(21-17-30(18-29-21)20-11-13-28-14-12-20)16-19(27)10-9-15-31(23(33)36-25(2,3)4)24(34)37-26(5,6)7/h11-14,17-19H,8-10,15-16H2,1-7H3","SCXGYZUIGNKQEJ-UHFFFAOYSA-N",null,170]
[31036,"7dzx_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326337","CC(C)(C)CCn1cnc(c1)[C@]1(C[C@H]1CCCN)C(O)=O","InChI=1S/C16H27N3O2/c1-15(2,3)6-8-19-10-13(18-11-19)16(14(20)21)9-12(16)5-4-7-17/h10-12H,4-9,17H2,1-3H3,(H,20,21)/t12-,16-/m1/s1","OATNNVUVQQXLHN-MLGOLLRUSA-N",null,420]
[31037,"7dzx_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201434","OC(=O)C(CS)C1CCCNC1","InChI=1S/C8H15NO2S/c10-8(11)7(5-12)6-2-1-3-9-4-6/h6-7,9,12H,1-5H2,(H,10,11)","ZEKJYPSRDZCIDP-UHFFFAOYSA-N",null,445]
[31060,"7dzx_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201430","NC(=N)c1ccc(cc1)C(CS)C(O)=O","InChI=1S/C10H12N2O2S/c11-9(12)7-3-1-6(2-4-7)8(5-15)10(13)14/h1-4,8,15H,5H2,(H3,11,12)(H,13,14)","RIFDSZLUNQNXHW-UHFFFAOYSA-N",null,905]
[31070,"7dzx_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089739","NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NCc1ccc(Cl)cc1)C(O)=O","InChI=1S/C23H35ClN4O4/c24-18-11-9-17(10-12-18)15-26-21(29)20(14-16-6-2-1-3-7-16)28-23(32)27-19(22(30)31)8-4-5-13-25/h9-12,16,19-20H,1-8,13-15,25H2,(H,26,29)(H,30,31)(H2,27,28,32)/t19-,20+/m0/s1","VBPKSMGVSGMMAR-VQTJNVASSA-N",null,1200]
[31092,"7dzx_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395729","CCOC(=O)C(C[Se]C(=O)CC)Cc1cnc(N)c(Cl)c1","InChI=1S/C14H19ClN2O3Se/c1-3-12(18)21-8-10(14(19)20-4-2)5-9-6-11(15)13(16)17-7-9/h6-7,10H,3-5,8H2,1-2H3,(H2,16,17)","KUNRSCIAQGRNQR-UHFFFAOYSA-N",null,2600]
[31103,"7dzx_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226610","CCCn1cnc(C[C@H](CCCN)C(O)=O)c1","InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s1","OTDGPKRCQXSTPV-JTQLQIEISA-N",null,5000]
[31120,"7dzx_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575751","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2cccnc2)CCP1(O)=O)C(O)=O","InChI=1S/C15H24N3O4P.C2HF3O2/c16-6-2-1-5-15(14(19)20)12-18(8-9-23(15,21)22)11-13-4-3-7-17-10-13;3-2(4,5)1(6)7/h3-4,7,10H,1-2,5-6,8-9,11-12,16H2,(H,19,20)(H,21,22);(H,6,7)","YWJYYQOJGKUZDS-UHFFFAOYSA-N",null,8000]
[31140,"7dzx_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144344","OC(=O)C(CCC1CNC1)c1cnc[nH]1","InChI=1S/C10H15N3O2/c14-10(15)8(9-5-12-6-13-9)2-1-7-3-11-4-7/h5-8,11H,1-4H2,(H,12,13)(H,14,15)","UQXHMWXXCVCNPW-UHFFFAOYSA-N",null,">20000"]
[31153,"7dzx_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197529","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CC1CCC(N)CC1)C(O)=O","InChI=1S/C28H50N4O5S/c1-27(2)20-13-14-28(27,3)24(17-20)30-25(33)22(15-18-7-5-4-6-8-18)31-38(36,37)32-23(26(34)35)16-19-9-11-21(29)12-10-19/h18-24,31-32H,4-17,29H2,1-3H3,(H,30,33)(H,34,35)/t19?,20-,21?,22+,23+,24+,28+/m1/s1","ZUVKLOWIUQUADU-MMFKTKKRSA-N",null,">30000"]
[31172,"7dzx_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089782","CC12CCC(C(C1)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](Cc1ccc(N)nc1)C#N)C2(C)C","InChI=1S/C28H42N6O2/c1-27(2)21-11-12-28(27,3)15-23(21)33-25(35)22(14-18-7-5-4-6-8-18)34-26(36)32-20(16-29)13-19-9-10-24(30)31-17-19/h9-10,17-18,20-23H,4-8,11-15H2,1-3H3,(H2,30,31)(H,33,35)(H2,32,34,36)/t20-,21?,22+,23?,28?/m0/s1","UWOKLNWAZGUKFI-WTYYAFBXSA-N",null,54000]
[31186,"7dzx_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401899","Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25)","YOFJPZPGHXWQJB-UHFFFAOYSA-N",null,170]
[31203,"7b17_A",0.3,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDBM25460","OC(=O)CS(=O)c1ccc2-c3ccccc3C(=O)c3cccc1c23","InChI=1S/C19H12O4S/c20-17(21)10-24(23)16-9-8-12-11-4-1-2-5-13(11)19(22)15-7-3-6-14(16)18(12)15/h1-9H,10H2,(H,20,21)","WUJCZHVABXHBKL-UHFFFAOYSA-N",null,null,180350]
[31220,"7b17_A",0.3,"Spike protein S1","Endochitinase B1 [T138A]","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,65000]
[31236,"7b17_A",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM81508","Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12","InChI=1S/C17H20N8O4/c1-20-8-18-12-10(20)14(26)24(16(28)22(12)3)6-5-7-25-15(27)11-13(19-9-21(11)2)23(4)17(25)29/h8-9H,5-7H2,1-4H3","KEPIKAFUZRKZMT-UHFFFAOYSA-N",null,200]
[31252,"7b17_A",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10850","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,43000]
[31269,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Sarcoplasmic/endoplasmic reticulum calcium ATPase 2","Mus musculus","BDBM50527071","CO[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O[C@H]2CC(=O)O[C@@H](\\C=C(\\C)C\\C=C\\C)[C@@H]3OO[C@@H](C[C@H](C)\\C=C(C)\\[C@H](C\\C=C\\2)OC)C=C3)[C@@H]1O","InChI=1S/C33H50O11/c1-7-8-10-20(2)17-27-26-14-13-24(43-44-26)16-21(3)15-22(4)25(38-5)12-9-11-23(18-29(35)41-27)40-33-31(37)32(39-6)30(36)28(19-34)42-33/h7-9,11,13-15,17,21,23-28,30-34,36-37H,10,12,16,18-19H2,1-6H3/b8-7+,11-9+,20-17-,22-15+/t21-,23-,24-,25+,26-,27+,28-,30-,31-,32+,33-/m1/s1","CQLLFSOVOHCWRU-SZIPKRNLSA-N"," 1.3"]
[31284,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Prolyl 3-hydroxylase OGFOD1","Homo sapiens","BDBM118338","CC(C)(C)OC(=O)c1ccc(nc1)-n1[nH]cc(-n2ccnn2)c1=O","InChI=1S/C15H16N6O3/c1-15(2,3)24-14(23)10-4-5-12(16-8-10)21-13(22)11(9-18-21)20-7-6-17-19-20/h4-9,18H,1-3H3","HWQQDVNGHZIALS-UHFFFAOYSA-N",null,5100]
[31286,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1","Mus musculus","BDBM50337198","CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(=O)Nc1cc(cc(c1)-c1ccc(cc1)C(N)=O)C(=O)NCc1ccccc1","InChI=1S/C44H43N6O9P/c1-27(2)20-38(50-44(55)39(49-42(53)33-12-8-29(25-45)9-13-33)21-28-10-18-37(19-11-28)59-60(56,57)58)43(54)48-36-23-34(31-14-16-32(17-15-31)40(46)51)22-35(24-36)41(52)47-26-30-6-4-3-5-7-30/h3-19,22-24,27,38-39H,20-21,26H2,1-2H3,(H2,46,51)(H,47,52)(H,48,54)(H,49,53)(H,50,55)(H2,56,57,58)/t38-,39-/m0/s1","PEXNGCNKHRPGFE-YDAXCOIMSA-N",16500]
[31303,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Cyclin-dependent kinase 11A","Homo sapiens","BDBM50308060","C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13","InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1","UIARLYUEJFELEN-LROUJFHJSA-N",null,null,">10000"]
[31332,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Cyclin-dependent kinase 11A","Homo sapiens","BDBM50331096","COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1","InChI=1S/C25H27FN4O3/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30/h6-7,12-15,29H,3-5,8-11H2,1-2H3","XXJWYDDUDKYVKI-UHFFFAOYSA-N",null,null,">10000"]
[31336,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Cyclin-dependent kinase 11A","Homo sapiens","BDBM13533","Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C","InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)","MVCOAUNKQVWQHZ-UHFFFAOYSA-N",null,null,">10000"]
[31349,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Cyclin-dependent kinase 11A","Homo sapiens","BDBM12621","COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N","InChI=1S/C18H21F2N5O4S/c1-29-13-4-3-12(19)15(20)14(13)16(26)11-9-22-18(24-17(11)21)23-10-5-7-25(8-6-10)30(2,27)28/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24)","JRNJNYBQQYBCLE-UHFFFAOYSA-N",null,null,2900]
[31369,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Cyclin-dependent kinase 11A","Homo sapiens","BDBM50355499","CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1","InChI=1S/C26H32N6O2/c1-31(2)17-24(33)32-12-10-18(11-13-32)20-8-9-23(22(14-20)19-6-4-3-5-7-19)30-26(34)25-28-16-21(15-27)29-25/h6,8-9,14,16,18H,3-5,7,10-13,17H2,1-2H3,(H,28,29)(H,30,34)","GUBJNPWVIUFSTR-UHFFFAOYSA-N",null,null,">10000"]
[31386,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Cyclin-dependent kinase 11A","Homo sapiens","BDBM26300","CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1","InChI=1S/C26H30FN7O3/c1-2-34(10-11-35)9-4-12-37-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(36)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17,35H,2,4,9-12,15H2,1H3,(H,30,36)(H2,28,29,31,32,33)","QYZOGCMHVIGURT-UHFFFAOYSA-N",null,null,1000]
[31397,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Cyclin-dependent kinase 11A","Homo sapiens","BDBM5655","CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl","InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1","BIIVYFLTOXDAOV-YVEFUNNKSA-N",null,null,">10000"]
[31419,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","PITSLRE serine/threonine-protein kinase CDC2L1","Homo sapiens","BDBM50250180","CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-n2nc(-c3ccc(OCCN4CCOCC4)cc3)c3c(N)ncnc23)no1","InChI=1S/C31H35N9O4/c1-31(2,3)24-18-25(38-44-24)36-30(41)35-21-6-8-22(9-7-21)40-29-26(28(32)33-19-34-29)27(37-40)20-4-10-23(11-5-20)43-17-14-39-12-15-42-16-13-39/h4-11,18-19H,12-17H2,1-3H3,(H2,32,33,34)(H2,35,36,38,41)","SKDBXDGKLQALIZ-UHFFFAOYSA-N",null,36]
[31429,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Cyclin-dependent kinase 11B","Homo sapiens","BDBM124970","CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1","InChI=1S/C29H25F3N8OS/c1-17-34-24(16-25(35-17)40-12-10-33-11-13-40)39-28-38-23-9-8-22(37-27(23)42-28)18-4-2-5-19(14-18)26(41)36-21-7-3-6-20(15-21)29(30,31)32/h2-9,14-16,33H,10-13H2,1H3,(H,36,41)(H,34,35,38,39)","LQPZDDNAQNTKSD-UHFFFAOYSA-N",null,null,32,{"$nulls":3},7.4,"25.00 C"]
[31452,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","PITSLRE serine/threonine-protein kinase CDC2L1","Homo sapiens","BDBM50128285","Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12","InChI=1S/C32H29N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39)","AXRCEOKUDYDWLF-UHFFFAOYSA-N",null,null,">10000"]
[31469,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","PITSLRE serine/threonine-protein kinase CDC2L1","Homo sapiens","BDBM50300690","CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1","InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)","CVWXJKQAOSCOAB-UHFFFAOYSA-N",null,null,">10000"]
[31477,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","PITSLRE serine/threonine-protein kinase CDC2L1","Homo sapiens","BDBM25045","Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1","InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2","TUVCWJQQGGETHL-UHFFFAOYSA-N",null,null,">10000"]
[31502,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","PITSLRE serine/threonine-protein kinase CDC2L1","Homo sapiens","BDBM25028","CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1","InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)","LHNIIDJUOCFXAP-UHFFFAOYSA-N",null,null,">10000"]
[31509,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","PITSLRE serine/threonine-protein kinase CDC2L1","Homo sapiens","BDBM4779","Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl","InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)","OMZCMEYTWSXEPZ-UHFFFAOYSA-N",null,null,">10000"]
[31535,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","PITSLRE serine/threonine-protein kinase CDC2L1","Homo sapiens","BDBM13535","COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1","InChI=1S/C31H42N6O4/c1-23(2)41-25-10-8-24(9-11-25)34-31(38)37-17-15-36(16-18-37)30-26-20-28(39-3)29(21-27(26)32-22-33-30)40-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,38)","UXXQOJXBIDBUAC-UHFFFAOYSA-N",null,null,">10000"]
[31540,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","PITSLRE serine/threonine-protein kinase CDC2L1","Homo sapiens","BDBM13534","CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1","InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)","GCIKSSRWRFVXBI-UHFFFAOYSA-N",null,null,290]
[31552,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","PITSLRE serine/threonine-protein kinase CDC2L1","Homo sapiens","BDBM50528539","C[C@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1)c1cncnc1","InChI=1S/C26H23F3N6O/c1-16-11-34(23-9-30-14-31-10-23)13-19-5-18(3-4-24(16)19)25(36)33-21-6-20(26(27,28)29)7-22(8-21)35-12-17(2)32-15-35/h3-10,12,14-16H,11,13H2,1-2H3,(H,33,36)/t16-/m0/s1","CMJJZRAAQMUAFH-INIZCTEOSA-N",null,null,370]
[31569,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM12621","COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N","InChI=1S/C18H21F2N5O4S/c1-29-13-4-3-12(19)15(20)14(13)16(26)11-9-22-18(24-17(11)21)23-10-5-7-25(8-6-10)30(2,27)28/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24)","JRNJNYBQQYBCLE-UHFFFAOYSA-N",null,null,">10000"]
[31588,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM25118","CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O","InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29)","PIQCTGMSNWUMAF-UHFFFAOYSA-N",null,null,">10000"]
[31602,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM50355496","O=C(N1CCNCC1)c1ccc(\\C=C\\c2n[nH]c3ccccc23)cc1","InChI=1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1-10,21H,11-14H2,(H,22,23)/b10-7+","YYLKKYCXAOBSRM-JXMROGBWSA-N",null,null,">10000"]
[31620,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM25028","CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1","InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)","LHNIIDJUOCFXAP-UHFFFAOYSA-N",null,null,">10000"]
[31635,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50185229","CCCCCCC[C@@H]1C[C@@H](O)[C@@H](O)[C@@H](CO)N1","InChI=1S/C13H27NO3/c1-2-3-4-5-6-7-10-8-12(16)13(17)11(9-15)14-10/h10-17H,2-9H2,1H3/t10-,11-,12-,13+/m1/s1","DECJCNQQBJULTO-LPWJVIDDSA-N",61000]
[31652,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50156359","CCCCCCCCN1CC(O)C(O)C(O)C1CO","InChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-15-9-12(17)14(19)13(18)11(15)10-16/h11-14,16-19H,2-10H2,1H3","VGSQNAQYXKTCLP-UHFFFAOYSA-N",null,34000]
[31668,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50104295","CC(NCC1NCC(O)C1O)C(O)(c1ccccc1)c1ccccc1","InChI=1S/C20H26N2O3/c1-14(21-12-17-19(24)18(23)13-22-17)20(25,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17-19,21-25H,12-13H2,1H3","YKDIBSLOOWMSJH-UHFFFAOYSA-N",null,550000]
[31685,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50207367","CC(C)[C@H]1CC[C@]23C[C@@H]4[C@H](C)C(=O)[C@H]5O[C@@]45[C@@]2(C)CC(=O)[C@]13C","InChI=1S/C20H28O3/c1-10(2)12-6-7-19-8-13-11(3)15(22)16-20(13,23-16)17(19,4)9-14(21)18(12,19)5/h10-13,16H,6-9H2,1-5H3/t11-,12+,13+,16+,17-,18-,19-,20-/m0/s1","XTHSBZKJZOMAJE-PGDSUDNMSA-N",null,2000]
[31700,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50240455","[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(NC(=O)c2cc(NC(=O)Nc3cc(cc(c3)C(=O)Nc3ccc(cc3S([O-])(=O)=O)S([O-])(=O)=O)C(=O)Nc3ccc(cc3S([O-])(=O)=O)S([O-])(=O)=O)cc(c2)C(=O)Nc2ccc(cc2S([O-])(=O)=O)S([O-])(=O)=O)c(c1)S([O-])(=O)=O","InChI=1S/C41H32N6O29S8/c48-37(44-29-5-1-25(77(53,54)55)15-33(29)81(65,66)67)19-9-20(38(49)45-30-6-2-26(78(56,57)58)16-34(30)82(68,69)70)12-23(11-19)42-41(52)43-24-13-21(39(50)46-31-7-3-27(79(59,60)61)17-35(31)83(71,72)73)10-22(14-24)40(51)47-32-8-4-28(80(62,63)64)18-36(32)84(74,75)76/h1-18H,(H,44,48)(H,45,49)(H,46,50)(H,47,51)(H2,42,43,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)/p-8","FXAIVMYRMNONEG-UHFFFAOYSA-F",null,7900]
[31718,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46379","NNC(=O)c1cccc(COc2ccccc2Br)c1","InChI=1S/C14H13BrN2O2/c15-12-6-1-2-7-13(12)19-9-10-4-3-5-11(8-10)14(18)17-16/h1-8H,9,16H2,(H,17,18)","JSXKLQRJLWUDJY-UHFFFAOYSA-N",null,11740]
[31732,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43655","CN1C(=O)\\C(=C/c2cc(Br)cs2)c2ccccc12","InChI=1S/C14H10BrNOS/c1-16-13-5-3-2-4-11(13)12(14(16)17)7-10-6-9(15)8-18-10/h2-8H,1H3/b12-7-","BOPYVRQHUDEGFS-GHXNOFRVSA-N",{"$nulls":3},">55700"]
[31751,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43555","Cc1nc(NC(N)=Nc2ccccc2)nc2ccccc12","InChI=1S/C16H15N5/c1-11-13-9-5-6-10-14(13)20-16(18-11)21-15(17)19-12-7-3-2-4-8-12/h2-10H,1H3,(H3,17,18,19,20,21)","YLFBDKSRAOAFDC-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[31768,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43568","CCC(=O)NCCSc1c[nH]c2ccccc12","InChI=1S/C13H16N2OS/c1-2-13(16)14-7-8-17-12-9-15-11-6-4-3-5-10(11)12/h3-6,9,15H,2,7-8H2,1H3,(H,14,16)","YTBRZKAOHUJNPO-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[31780,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43578","COc1ccc(Cl)cc1-c1nc(no1)-c1ccc(Br)o1","InChI=1S/C13H8BrClN2O3/c1-18-9-3-2-7(15)6-8(9)13-16-12(17-20-13)10-4-5-11(14)19-10/h2-6H,1H3","LJXLLSYFTLNIAS-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[31785,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43583","C1CN(c2ccccc2C1)c1nc2ccccc2n2cnnc12","InChI=1S/C18H15N5/c1-3-9-15-13(6-1)7-5-11-22(15)17-18-21-19-12-23(18)16-10-4-2-8-14(16)20-17/h1-4,6,8-10,12H,5,7,11H2","ZBKRLQLGOYDKLA-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[31812,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67136","COc1cccc(c1)-c1csc(Cn2c(CN3CCOCC3)nc3ccccc3c2=O)n1","InChI=1S/C24H24N4O3S/c1-30-18-6-4-5-17(13-18)21-16-32-23(26-21)15-28-22(14-27-9-11-31-12-10-27)25-20-8-3-2-7-19(20)24(28)29/h2-8,13,16H,9-12,14-15H2,1H3","SLCODFSAKJUDQL-UHFFFAOYSA-N",null,13622]
[31818,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50189972","CC1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1c1ccccc1","InChI=1S/C20H16N6S/c1-13-18(15-10-6-3-7-11-15)25-26-19(23-24-20(26)27-13)17-12-16(21-22-17)14-8-4-2-5-9-14/h2-13H,1H3,(H,21,22)","OMXOROAIBLTXLR-UHFFFAOYSA-N",null,15000]
[31835,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67099","CCOc1ccc(cc1)-c1csc(Cn2c(CN3CCN(C)CC3)nc3ccccc3c2=O)n1","InChI=1S/C26H29N5O2S/c1-3-33-20-10-8-19(9-11-20)23-18-34-25(28-23)17-31-24(16-30-14-12-29(2)13-15-30)27-22-7-5-4-6-21(22)26(31)32/h4-11,18H,3,12-17H2,1-2H3","BJZYXACHNCPIJY-UHFFFAOYSA-N",null,">18563"]
[31860,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50189974","COc1ccc(cc1)C1=Nn2c(SC1C)nnc2-c1cc(n[nH]1)-c1ccc(F)cc1","InChI=1S/C21H17FN6OS/c1-12-19(14-5-9-16(29-2)10-6-14)27-28-20(25-26-21(28)30-12)18-11-17(23-24-18)13-3-7-15(22)8-4-13/h3-12H,1-2H3,(H,23,24)","TZGVQABFOBPYPG-UHFFFAOYSA-N",null,">30000"]
[31868,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50103766","Cc1nc(NCc2cccc3ccccc23)nc2ccccc12","InChI=1S/C20H17N3/c1-14-17-10-4-5-12-19(17)23-20(22-14)21-13-16-9-6-8-15-7-2-3-11-18(15)16/h2-12H,13H2,1H3,(H,21,22,23)","WYYYEHXFOFJZLG-UHFFFAOYSA-N",null,">30000"]
[31892,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50189946","C1CCC(CC1)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1","InChI=1S/C19H20N6S/c1-3-7-13(8-4-1)15-11-16(21-20-15)18-22-23-19-25(18)24-17(12-26-19)14-9-5-2-6-10-14/h1,3-4,7-8,11,14H,2,5-6,9-10,12H2,(H,20,21)","HUDOWYBEANTLQD-UHFFFAOYSA-N",null,">50000"]
[31901,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50189931","C1Cc2n[nH]c(c2C1)-c1nnc2SCC(=Nn12)c1ccncc1","InChI=1S/C15H13N7S/c1-2-10-11(3-1)17-18-13(10)14-19-20-15-22(14)21-12(8-23-15)9-4-6-16-7-5-9/h4-7H,1-3,8H2,(H,17,18)","LGMXKAFOZXXFQI-UHFFFAOYSA-N",null,">50000"]
[31918,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50190106","CC1(C)Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(Cl)c(Cl)c1","InChI=1S/C18H16Cl2N6S/c1-18(2)15(9-6-7-11(19)12(20)8-9)25-26-16(23-24-17(26)27-18)14-10-4-3-5-13(10)21-22-14/h6-8H,3-5H2,1-2H3,(H,21,22)","OAVBVPBWKZMCDP-UHFFFAOYSA-N",null,">50000"]
[31940,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50189936","C1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1","InChI=1S/C13H10N6S/c1-2-4-9(5-3-1)10-8-11(16-15-10)12-17-18-13-19(12)14-6-7-20-13/h1-6,8H,7H2,(H,15,16)","DMAQGOLEDCMJHD-UHFFFAOYSA-N",null,">50000"]
[31951,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50103885","CCOc1ccc2nc(Nc3nc(=O)cc(C)[nH]3)nc(C)c2c1","InChI=1S/C16H17N5O2/c1-4-23-11-5-6-13-12(8-11)10(3)18-16(19-13)21-15-17-9(2)7-14(22)20-15/h5-8H,4H2,1-3H3,(H2,17,18,19,20,21,22)","QEMQLVAVCMAJBF-UHFFFAOYSA-N",null,">50000"]
[31957,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50103640","CC1=CC(C)(C)N=C(Nc2nc(C)c3cc(C)ccc3n2)N1","InChI=1S/C17H21N5/c1-10-6-7-14-13(8-10)12(3)19-15(20-14)21-16-18-11(2)9-17(4,5)22-16/h6-9H,1-5H3,(H2,18,19,20,21,22)","RMRLOEXPTYDYDD-UHFFFAOYSA-N",null,">50000"]
[31984,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50190106","CC1(C)Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(Cl)c(Cl)c1","InChI=1S/C18H16Cl2N6S/c1-18(2)15(9-6-7-11(19)12(20)8-9)25-26-16(23-24-17(26)27-18)14-10-4-3-5-13(10)21-22-14/h6-8H,3-5H2,1-2H3,(H,21,22)","OAVBVPBWKZMCDP-UHFFFAOYSA-N",null,">50000"]
[31988,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50103747","COc1ccc2nc(Nc3nc(=O)cc(C)[nH]3)nc(C)c2c1","InChI=1S/C15H15N5O2/c1-8-6-13(21)19-14(16-8)20-15-17-9(2)11-7-10(22-3)4-5-12(11)18-15/h4-7H,1-3H3,(H2,16,17,18,19,20,21)","RYOOOLMGSVANCR-UHFFFAOYSA-N",null,">50000"]
[32017,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67125","CNC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2ccccc12","InChI=1S/C16H12FN3O2/c1-18-15(21)14-12-4-2-3-5-13(12)16(22)20(19-14)11-8-6-10(17)7-9-11/h2-9H,1H3,(H,18,21)","FHHDIJIAMNLKES-UHFFFAOYSA-N",null,">55690"]
[32034,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43518","Cc1cccc(\\C=C(/c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)c1","InChI=1S/C22H18N2O2S/c1-16-8-7-9-17(14-16)15-21(27(25,26)18-10-3-2-4-11-18)22-23-19-12-5-6-13-20(19)24-22/h2-15H,1H3,(H,23,24)/b21-15+","WGIAMJYITRWTAE-RCCKNPSSSA-N",null,">55700"]
[32037,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46337","Clc1ccc(CSc2nnc(Cn3cnc4ccccc34)o2)cc1","InChI=1S/C17H13ClN4OS/c18-13-7-5-12(6-8-13)10-24-17-21-20-16(23-17)9-22-11-19-14-3-1-2-4-15(14)22/h1-8,11H,9-10H2","WKLPJFOCHXMHHO-UHFFFAOYSA-N",null,">55700"]
[32051,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46343","O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(cc1)S(=O)(=O)N1CCOCC1","InChI=1S/C23H23N3O4S/c27-23(25-21-5-1-18(2-6-21)17-19-9-11-24-12-10-19)20-3-7-22(8-4-20)31(28,29)26-13-15-30-16-14-26/h1-12H,13-17H2,(H,25,27)","VMXPKINUOWOAFI-UHFFFAOYSA-N",null,">55700"]
[32068,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46354","Cc1cc(OCC(=O)Nc2ccncc2)ccc1Br","InChI=1S/C14H13BrN2O2/c1-10-8-12(2-3-13(10)15)19-9-14(18)17-11-4-6-16-7-5-11/h2-8H,9H2,1H3,(H,16,17,18)","YYOZBJVGXCNIDH-UHFFFAOYSA-N",null,">55700"]
[32084,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46370","Cc1cc(OCC(=O)Nc2ccncc2)cc(C)c1Br","InChI=1S/C15H15BrN2O2/c1-10-7-13(8-11(2)15(10)16)20-9-14(19)18-12-3-5-17-6-4-12/h3-8H,9H2,1-2H3,(H,17,18,19)","IIBZTYUIHARCEJ-UHFFFAOYSA-N",null,">55700"]
[32101,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46391","Clc1ccccc1C(=O)Oc1cccc(Nc2ncnc3ccccc23)c1","InChI=1S/C21H14ClN3O2/c22-18-10-3-1-8-16(18)21(26)27-15-7-5-6-14(12-15)25-20-17-9-2-4-11-19(17)23-13-24-20/h1-13H,(H,23,24,25)","RCXVWLCVTINCAH-UHFFFAOYSA-N",null,">55700"]
[32116,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43536","COc1ccccc1CNc1ncnc2cc(Cl)ccc12","InChI=1S/C16H14ClN3O/c1-21-15-5-3-2-4-11(15)9-18-16-13-7-6-12(17)8-14(13)19-10-20-16/h2-8,10H,9H2,1H3,(H,18,19,20)","AVFORMQVVOKGEA-UHFFFAOYSA-N",null,">55700"]
[32134,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46427","COc1ccc(CC(=O)Nc2cccc(SC)c2)cc1OC","InChI=1S/C17H19NO3S/c1-20-15-8-7-12(9-16(15)21-2)10-17(19)18-13-5-4-6-14(11-13)22-3/h4-9,11H,10H2,1-3H3,(H,18,19)","BTWQQJSPCWAOAO-UHFFFAOYSA-N",null,">55700"]
[32148,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43688","N#C\\C(=C/c1ccc(o1)N1CCOCC1)c1nc2ccccc2[nH]1","InChI=1S/C18H16N4O2/c19-12-13(18-20-15-3-1-2-4-16(15)21-18)11-14-5-6-17(24-14)22-7-9-23-10-8-22/h1-6,11H,7-10H2,(H,20,21)/b13-11+","NLTIXGLRVWLYBW-ACCUITESSA-N",{"$nulls":3},">687.51",null,null,7.8,"22.00 C"]
[32167,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43607","COc1ccc(Br)cc1C(=O)Nc1cccc(C)c1","InChI=1S/C15H14BrNO2/c1-10-4-3-5-12(8-10)17-15(18)13-9-11(16)6-7-14(13)19-2/h3-9H,1-2H3,(H,17,18)","BNFHUDLXTLRZHV-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[32184,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43623","Fc1ccccc1C1N(CCc2c1[nH]c1ccccc21)C(=O)Cc1cnc2ncnn2c1","InChI=1S/C24H19FN6O/c25-19-7-3-1-6-18(19)23-22-17(16-5-2-4-8-20(16)29-22)9-10-30(23)21(32)11-15-12-26-24-27-14-28-31(24)13-15/h1-8,12-14,23,29H,9-11H2","OKGLIGZTZVWJTO-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[32196,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43635","O=C(CCc1nnc(Cc2ccc3OCOc3c2)o1)NCc1nc2ccccc2s1","InChI=1S/C21H18N4O4S/c26-18(22-11-21-23-14-3-1-2-4-17(14)30-21)7-8-19-24-25-20(29-19)10-13-5-6-15-16(9-13)28-12-27-15/h1-6,9H,7-8,10-12H2,(H,22,26)","KHMAUIVHFHCFDW-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[32217,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM50427627","COc1ccc2n(C(=O)c3ccc(cc3)C(F)(F)F)c(C)c(CC(O)=O)c2c1","InChI=1S/C20H16F3NO4/c1-11-15(10-18(25)26)16-9-14(28-2)7-8-17(16)24(11)19(27)12-3-5-13(6-4-12)20(21,22)23/h3-9H,10H2,1-2H3,(H,25,26)","WSJYANUXYPFGPR-UHFFFAOYSA-N",null,">100"]
[32228,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50240376","CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1","InChI=1S/C15H22O5/c1-2-3-4-5-6-7-8-20-15(19)11-9-12(16)14(18)13(17)10-11/h9-10,16-18H,2-8H2,1H3","NRPKURNSADTHLJ-UHFFFAOYSA-N",null,4040]
[32250,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50384946","CC(C)=CCc1cc(\\C=C\\C(O)=O)ccc1OC(=O)CCc1ccccc1","InChI=1S/C23H24O4/c1-17(2)8-12-20-16-19(10-14-22(24)25)9-13-21(20)27-23(26)15-11-18-6-4-3-5-7-18/h3-10,13-14,16H,11-12,15H2,1-2H3,(H,24,25)/b14-10+","BJIVLGIZOMJQRT-GXDHUFHOSA-N",null,21000]
[32260,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396720","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2cc(I)ccc2C1","InChI=1S/C16H14INO4S/c17-14-5-4-13-10-18(7-6-11(13)8-14)23(21,22)15-3-1-2-12(9-15)16(19)20/h1-5,8-9H,6-7,10H2,(H,19,20)","VVGCNTZPXJTVSF-UHFFFAOYSA-N",null,">30000"]
[32283,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446022","Clc1ccc(CN2CCN(CC2)C(=O)N2CCOCC2)cc1","InChI=1S/C16H22ClN3O2/c17-15-3-1-14(2-4-15)13-18-5-7-19(8-6-18)16(21)20-9-11-22-12-10-20/h1-4H,5-13H2","KCONUSOZXPPQQG-UHFFFAOYSA-N",null,">30000"]
[32284,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446013","Brc1ccc(nc1)N1CCN(CC1)C(=O)N1CCOCC1","InChI=1S/C14H19BrN4O2/c15-12-1-2-13(16-11-12)17-3-5-18(6-4-17)14(20)19-7-9-21-10-8-19/h1-2,11H,3-10H2","GSDQFDQHPRPTMW-UHFFFAOYSA-N",null,">30000"]
[32308,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50430703","CC1CCCCN1S(=O)(=O)c1ccc(cn1)N1CCCC1=O","InChI=1S/C15H21N3O3S/c1-12-5-2-3-10-18(12)22(20,21)14-8-7-13(11-16-14)17-9-4-6-15(17)19/h7-8,11-12H,2-6,9-10H2,1H3","MBZMRRSVLXIJLT-UHFFFAOYSA-N",null,">30000"]
[32317,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396669","OC(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(Br)cc1","InChI=1S/C15H10BrNO4S/c16-10-5-7-11(8-6-10)22(20,21)17-9-13(15(18)19)12-3-1-2-4-14(12)17/h1-9H,(H,18,19)","GVJMLPMDLUIKOZ-UHFFFAOYSA-N",null,">30000"]
[32340,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396663","OC(=O)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1","InChI=1S/C17H16N2O5S/c20-16(17(21)22)18-14-6-3-7-15(10-14)25(23,24)19-9-8-12-4-1-2-5-13(12)11-19/h1-7,10H,8-9,11H2,(H,18,20)(H,21,22)","WXTOAQMIJQFVOQ-UHFFFAOYSA-N",null,">30000"]
[32350,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396667","OC(=O)c1cccc(c1)S(=O)(=O)NCCc1ccccc1","InChI=1S/C15H15NO4S/c17-15(18)13-7-4-8-14(11-13)21(19,20)16-10-9-12-5-2-1-3-6-12/h1-8,11,16H,9-10H2,(H,17,18)","YPNOBPYZXOOSOQ-UHFFFAOYSA-N",null,">30000"]
[32367,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50337281","OC(=O)c1cccc(Nc2ccc(cc2)[N+]([O-])=O)c1","InChI=1S/C13H10N2O4/c16-13(17)9-2-1-3-11(8-9)14-10-4-6-12(7-5-10)15(18)19/h1-8,14H,(H,16,17)","YRZASYCIZSWCKB-UHFFFAOYSA-N",null,32700]
[32388,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM22971","Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl","InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)","SBDNJUWAMKYJOX-UHFFFAOYSA-N",null,">100000"]
[32400,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50169047","CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O","InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1","HEFNNWSXXWATRW-JTQLQIEISA-N",null,">100000"]
[32420,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Sarcoplasmic/endoplasmic reticulum calcium ATPase 2","Mus musculus","BDBM50453612","CO[C@H]1C\\C=C\\[C@@H](O)CC(=O)O[C@H](C\\C=C\\C=C\\C[C@H](C)\\C=C1/C)\\C=C(\\C)C\\C=C\\C","InChI=1S/C27H40O4/c1-6-7-13-22(3)19-25-16-11-9-8-10-14-21(2)18-23(4)26(30-5)17-12-15-24(28)20-27(29)31-25/h6-12,15,18-19,21,24-26,28H,13-14,16-17,20H2,1-5H3/b7-6+,10-8+,11-9+,15-12+,22-19-,23-18+/t21-,24+,25+,26-/m0/s1","DVYYXLNVAXSASA-BEVCVMOBSA-N",27]
[32433,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Prolyl 3-hydroxylase OGFOD1","Homo sapiens","BDBM118338","CC(C)(C)OC(=O)c1ccc(nc1)-n1[nH]cc(-n2ccnn2)c1=O","InChI=1S/C15H16N6O3/c1-15(2,3)24-14(23)10-4-5-12(16-8-10)21-13(22)11(9-18-21)20-7-6-17-19-20/h4-9,18H,1-3H3","HWQQDVNGHZIALS-UHFFFAOYSA-N",null,5100]
[32451,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Cyclin-dependent kinase 11A","Homo sapiens","BDBM50326053","CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1","InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1","BMGQWWVMWDBQGC-IIFHNQTCSA-N",null,null,">10000",{"$nulls":3},7.4,"25.00 C"]
[32466,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Cyclin-dependent kinase 11A","Homo sapiens","BDBM25028","CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1","InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)","LHNIIDJUOCFXAP-UHFFFAOYSA-N",null,null,">10000"]
[32483,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Cyclin-dependent kinase 11A","Homo sapiens","BDBM13336","CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1","InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)","CDMGBJANTYXAIV-UHFFFAOYSA-N",null,null,">10000"]
[32500,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Cyclin-dependent kinase 11A","Homo sapiens","BDBM5445","CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1","InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)","BCFGMOOMADDAQU-UHFFFAOYSA-N",null,null,">10000"]
[32516,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Cyclin-dependent kinase 11A","Homo sapiens","BDBM50300690","CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1","InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)","CVWXJKQAOSCOAB-UHFFFAOYSA-N",null,null,">10000"]
[32531,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Cyclin-dependent kinase 11A","Homo sapiens","BDBM50440018","CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1","InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21-","NXWXUDHOUKWAQU-MEMLXQNLSA-N",null,null,2400]
[32533,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Cyclin-dependent kinase 11A","Homo sapiens","BDBM24773","CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12","InChI=1S/C22H23N5O/c1-22(2)14-26-19-12-16(5-6-18(19)22)27-21(28)17-4-3-9-24-20(17)25-13-15-7-10-23-11-8-15/h3-12,26H,13-14H2,1-2H3,(H,24,25)(H,27,28)","RAHBGWKEPAQNFF-UHFFFAOYSA-N",null,null,">10000"]
[32550,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Cyclin-dependent kinase 11A","Homo sapiens","BDBM13530","CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1","InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)","KTUFNOKKBVMGRW-UHFFFAOYSA-N",null,null,">10000"]
[32565,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Cyclin-dependent kinase 11A","Homo sapiens","BDBM13534","CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1","InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)","GCIKSSRWRFVXBI-UHFFFAOYSA-N",null,null,260]
[32583,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","PITSLRE serine/threonine-protein kinase CDC2L1","Homo sapiens","BDBM50326053","CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1","InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1","BMGQWWVMWDBQGC-IIFHNQTCSA-N",null,null,">10000"]
[32596,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","PITSLRE serine/threonine-protein kinase CDC2L1","Homo sapiens","BDBM60589","Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1","InChI=1S/C18H13N7S/c1-24-11-13(10-20-24)16-6-7-17-21-22-18(25(17)23-16)26-14-4-5-15-12(9-14)3-2-8-19-15/h2-11H,1H3","BCZUAADEACICHN-UHFFFAOYSA-N",null,null,">10000"]
[32616,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","PITSLRE serine/threonine-protein kinase CDC2L1","Homo sapiens","BDBM31088","Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12","InChI=1S/C24H16F6N6O/c1-36-19-7-6-15(10-17(19)34-22(36)33-14-4-2-13(3-5-14)23(25,26)27)37-16-8-9-31-18(11-16)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34)","YABJJWZLRMPFSI-UHFFFAOYSA-N",null,null,">10000"]
[32633,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","PITSLRE serine/threonine-protein kinase CDC2L1","Homo sapiens","BDBM25118","CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O","InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29)","PIQCTGMSNWUMAF-UHFFFAOYSA-N",null,null,">10000"]
[32644,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","PITSLRE serine/threonine-protein kinase CDC2L1","Homo sapiens","BDBM50355496","O=C(N1CCNCC1)c1ccc(\\C=C\\c2n[nH]c3ccccc23)cc1","InChI=1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1-10,21H,11-14H2,(H,22,23)/b10-7+","YYLKKYCXAOBSRM-JXMROGBWSA-N",null,null,">10000"]
[32666,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","PITSLRE serine/threonine-protein kinase CDC2L1","Homo sapiens","BDBM13533","Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C","InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)","MVCOAUNKQVWQHZ-UHFFFAOYSA-N",null,null,">10000"]
[32676,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","PITSLRE serine/threonine-protein kinase CDC2L1","Homo sapiens","BDBM5655","CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl","InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1","BIIVYFLTOXDAOV-YVEFUNNKSA-N",null,null,">10000"]
[32699,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","PITSLRE serine/threonine-protein kinase CDC2L1","Homo sapiens","BDBM50532781","CCc1ccc2n(C)c(C)c(C(=O)Nc3ccc(Oc4ncnc5cc(OC)c(OC)cc45)c(F)c3)c(=O)c2c1","InChI=1S/C30H27FN4O5/c1-6-17-7-9-23-20(11-17)28(36)27(16(2)35(23)3)29(37)34-18-8-10-24(21(31)12-18)40-30-19-13-25(38-4)26(39-5)14-22(19)32-15-33-30/h7-15H,6H2,1-5H3,(H,34,37)","IKENQUDOTQBCJH-UHFFFAOYSA-N",null,null,470]
[32708,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM17055","CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21","InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1","ZCBUQCWBWNUWSU-SFHVURJKSA-N",null,null,">10000"]
[32732,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM50355500","C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F","InChI=1S/C27H28F3N5O2S/c1-17(19-5-3-4-6-20(19)27(28,29)30)37-23-14-24(38-25(23)26(31)36)35-16-32-21-8-7-18(13-22(21)35)15-34-11-9-33(2)10-12-34/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H2,31,36)/t17-/m1/s1","ZHJGWYRLJUCMRT-QGZVFWFLSA-N",null,null,">10000"]
[32749,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM50355495","CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1","InChI=1S/C28H30N6OS/c1-20-5-10-24(16-25(20)31-28-32-26(19-36-28)23-4-3-11-29-17-23)30-27(35)22-8-6-21(7-9-22)18-34-14-12-33(2)13-15-34/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,30,35)(H,31,32)","WJEOLQLKVOPQFV-UHFFFAOYSA-N",null,null,">10000"]
[32756,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM21079","Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1","InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)","MPVGZUGXCQEXTM-UHFFFAOYSA-N",null,null,">10000"]
[32782,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50402977","OCC(O)[C@H]1NC[C@H](O)[C@@H]1O","InChI=1S/C6H13NO4/c8-2-4(10)5-6(11)3(9)1-7-5/h3-11H,1-2H2/t3-,4?,5+,6-/m0/s1","RVNSAAIWCWTCTJ-CEZCPVKQSA-N",53000,{"$nulls":5},6.8]
[32788,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50186736","OC[C@@H]1NC[C@@H](O)[C@@H](O)C1(F)F","InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4+,5-/m1/s1","QAAGRPJCHPCOIN-MROZADKFSA-N",">1000000"]
[32799,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50156353","CCCCCCC1NC(CO)C(O)C(O)C1O","InChI=1S/C12H25NO4/c1-2-3-4-5-6-8-10(15)12(17)11(16)9(7-14)13-8/h8-17H,2-7H2,1H3","CNCWFVJLRHKDJX-UHFFFAOYSA-N",null,12000]
[32816,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50104300","OC1CNC(CNC2CCCC2)C1O","InChI=1S/C10H20N2O2/c13-9-6-12-8(10(9)14)5-11-7-3-1-2-4-7/h7-14H,1-6H2","CAYLVMUUXWDLQS-UHFFFAOYSA-N",null,500000]
[32836,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43529","Cc1ccc(cc1)C1=NNC(c2ccncc2)=c2ccc3ccccc3c2=N1","InChI=1S/C24H18N4/c1-16-6-8-19(9-7-16)24-26-23-20-5-3-2-4-17(20)10-11-21(23)22(27-28-24)18-12-14-25-15-13-18/h2-15,27H,1H3","RWSZOKCHOYUFEH-UHFFFAOYSA-N",null,3517]
[32849,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50240455","[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(NC(=O)c2cc(NC(=O)Nc3cc(cc(c3)C(=O)Nc3ccc(cc3S([O-])(=O)=O)S([O-])(=O)=O)C(=O)Nc3ccc(cc3S([O-])(=O)=O)S([O-])(=O)=O)cc(c2)C(=O)Nc2ccc(cc2S([O-])(=O)=O)S([O-])(=O)=O)c(c1)S([O-])(=O)=O","InChI=1S/C41H32N6O29S8/c48-37(44-29-5-1-25(77(53,54)55)15-33(29)81(65,66)67)19-9-20(38(49)45-30-6-2-26(78(56,57)58)16-34(30)82(68,69)70)12-23(11-19)42-41(52)43-24-13-21(39(50)46-31-7-3-27(79(59,60)61)17-35(31)83(71,72)73)10-22(14-24)40(51)47-32-8-4-28(80(62,63)64)18-36(32)84(74,75)76/h1-18H,(H,44,48)(H,45,49)(H,46,50)(H,47,51)(H2,42,43,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)/p-8","FXAIVMYRMNONEG-UHFFFAOYSA-F",null,7900]
[32868,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50016098","CCCCCC(=O)O[C@@H]1C=C2COC(=O)C2(O)[C@@]2(C)CCCC(C)(C)[C@H]12","InChI=1S/C21H32O5/c1-5-6-7-9-16(22)26-15-12-14-13-25-18(23)21(14,24)20(4)11-8-10-19(2,3)17(15)20/h12,15,17,24H,5-11,13H2,1-4H3/t15-,17+,20+,21?/m1/s1","ROECGAWNHRGIRN-RILOYPOQSA-N",null,11800]
[32882,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43656","O=C(Cc1c[nH]c2ccccc12)Nc1nnc(s1)C1CC1","InChI=1S/C15H14N4OS/c20-13(17-15-19-18-14(21-15)9-5-6-9)7-10-8-16-12-4-2-1-3-11(10)12/h1-4,8-9,16H,5-7H2,(H,17,19,20)","BVAPHKYHBYRPSS-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[32899,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43554","COc1ccccc1C(=O)Nc1cc(Cl)ccc1O","InChI=1S/C14H12ClNO3/c1-19-13-5-3-2-4-10(13)14(18)16-11-8-9(15)6-7-12(11)17/h2-8,17H,1H3,(H,16,18)","CIJVRWOHLBHSJS-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[32916,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43567","CN1C(C(C(=O)NCCCN2CCCC2=O)c2ccccc2C1=O)c1c[nH]c2ccccc12","InChI=1S/C26H28N4O3/c1-29-24(20-16-28-21-11-5-4-8-17(20)21)23(18-9-2-3-10-19(18)26(29)33)25(32)27-13-7-15-30-14-6-12-22(30)31/h2-5,8-11,16,23-24,28H,6-7,12-15H2,1H3,(H,27,32)","AWZGLWAKAAKKLY-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[32932,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43581","COc1ccccc1-c1nnc(SCC(=O)NC2CCCCC2)o1","InChI=1S/C17H21N3O3S/c1-22-14-10-6-5-9-13(14)16-19-20-17(23-16)24-11-15(21)18-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,18,21)","MKLADHJBTFAUQJ-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[32948,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43596","Cc1cccc2\\C(=C\\C(=O)c3cccs3)C(=O)Nc12","InChI=1S/C15H11NO2S/c1-9-4-2-5-10-11(15(18)16-14(9)10)8-12(17)13-6-3-7-19-13/h2-8H,1H3,(H,16,18)/b11-8-","CUXJHQSDEDMQMM-FLIBITNWSA-N",{"$nulls":3},">55700"]
[32965,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM37480","CCn1c2ccccc2c2sc(cc2c1=O)C(=O)N1CCCC1","InChI=1S/C18H18N2O2S/c1-2-20-14-8-4-3-7-12(14)16-13(17(20)21)11-15(23-16)18(22)19-9-5-6-10-19/h3-4,7-8,11H,2,5-6,9-10H2,1H3","CEJYSJUIBXGONE-UHFFFAOYSA-N",null,14840]
[32979,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46344","COc1cccc(c1)-c1cc(no1)C(=O)Nc1cccc(O)c1","InChI=1S/C17H14N2O4/c1-22-14-7-2-4-11(8-14)16-10-15(19-23-16)17(21)18-12-5-3-6-13(20)9-12/h2-10,20H,1H3,(H,18,21)","NLCURIHWDCRJLW-UHFFFAOYSA-N",null,18260]
[32998,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43514","CCOC(=O)c1c(C)nc2sc3c(nnn(-c4ccc(OC)cc4)c3=O)c2c1-c1ccc(OC)cc1","InChI=1S/C26H22N4O5S/c1-5-35-26(32)19-14(2)27-24-21(20(19)15-6-10-17(33-3)11-7-15)22-23(36-24)25(31)30(29-28-22)16-8-12-18(34-4)13-9-16/h6-13H,5H2,1-4H3","LNVREEXYXVGXSQ-UHFFFAOYSA-N",null,26580]
[33015,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50103764","Cc1nc(Nc2ccccn2)nc2ccccc12","InChI=1S/C14H12N4/c1-10-11-6-2-3-7-12(11)17-14(16-10)18-13-8-4-5-9-15-13/h2-9H,1H3,(H,15,16,17,18)","RTALTPLUVZQKSO-UHFFFAOYSA-N",null,">30000"]
[33028,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67135","O=c1n(Cc2nc(cs2)-c2ccc[nH]2)c(CN2CCOCC2)nc2ccccc12","InChI=1S/C21H21N5O2S/c27-21-15-4-1-2-5-16(15)23-19(12-25-8-10-28-11-9-25)26(21)13-20-24-18(14-29-20)17-6-3-7-22-17/h1-7,14,22H,8-13H2","XTKXDJTVQZGEPL-UHFFFAOYSA-N",null,40181]
[33032,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50189929","COc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12","InChI=1S/C17H16N6OS/c1-24-11-7-5-10(6-8-11)14-9-25-17-21-20-16(23(17)22-14)15-12-3-2-4-13(12)18-19-15/h5-8H,2-4,9H2,1H3,(H,18,19)","UEVMXEZUMHYJAY-UHFFFAOYSA-N",null,40600]
[33059,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50189946","C1CCC(CC1)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1","InChI=1S/C19H20N6S/c1-3-7-13(8-4-1)15-11-16(21-20-15)18-22-23-19-25(18)24-17(12-26-19)14-9-5-2-6-10-14/h1,3-4,7-8,11,14H,2,5-6,9-10,12H2,(H,20,21)","HUDOWYBEANTLQD-UHFFFAOYSA-N",null,">50000"]
[33065,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM438793","CCC(C)C1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1c1ccc(OC)cc1",{"$nulls":3},">50000"]
[33082,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM438769","C1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1c1ccccc1","InChI=1S/C19H14N6S/c1-3-7-13(8-4-1)15-11-16(21-20-15)18-22-23-19-25(18)24-17(12-26-19)14-9-5-2-6-10-14/h1-11H,12H2,(H,20,21)","TUFHEEZPYAMHFI-UHFFFAOYSA-N",null,">50000"]
[33108,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50189922","Clc1ccc(cc1Cl)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12","InChI=1S/C16H12Cl2N6S/c17-10-5-4-8(6-11(10)18)13-7-25-16-22-21-15(24(16)23-13)14-9-2-1-3-12(9)19-20-14/h4-6H,1-3,7H2,(H,19,20)","AKVGDCSDHQWUBP-UHFFFAOYSA-N",null,">50000"]
[33115,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50189930","COc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1","InChI=1S/C20H16N6OS/c1-27-15-9-7-14(8-10-15)18-12-28-20-24-23-19(26(20)25-18)17-11-16(21-22-17)13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,21,22)","MQDVTXABMFOTPZ-UHFFFAOYSA-N",null,">50000"]
[33139,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50016099","CCCCCC(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)[C@H](O)CCC(C)(C)[C@H]12","InChI=1S/C21H32O6/c1-5-6-7-8-16(23)27-14-11-13-12-26-18(24)21(13,25)20(4)15(22)9-10-19(2,3)17(14)20/h11,14-15,17,22,25H,5-10,12H2,1-4H3/t14-,15-,17+,20+,21+/m1/s1","AKSMCYXVBDZJRK-QOGIMEQTSA-N",null,50700]
[33148,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67105","Fc1ccc(NC(=O)C(N2CCN(CC2)S(=O)(=O)c2ccc3OCCOc3c2)c2ccccc2)cc1","InChI=1S/C26H26FN3O5S/c27-20-6-8-21(9-7-20)28-26(31)25(19-4-2-1-3-5-19)29-12-14-30(15-13-29)36(32,33)22-10-11-23-24(18-22)35-17-16-34-23/h1-11,18,25H,12-17H2,(H,28,31)","IHGLGLPNOBYEKO-UHFFFAOYSA-N",null,">55690"]
[33165,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67124","CN(C)C(=O)c1nn(-c2ccc(F)cc2)c(=O)c2ccccc12","InChI=1S/C17H14FN3O2/c1-20(2)17(23)15-13-5-3-4-6-14(13)16(22)21(19-15)12-9-7-11(18)8-10-12/h3-10H,1-2H3","BXEFVZJLLIDOAT-UHFFFAOYSA-N",null,">55690"]
[33173,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67137","CN1CCN(Cc2nc3ccccc3c(=O)n2Cc2nc(cs2)C23CC4CC(CC(C4)C2)C3)CC1","InChI=1S/C28H35N5OS/c1-31-6-8-32(9-7-31)16-25-29-23-5-3-2-4-22(23)27(34)33(25)17-26-30-24(18-35-26)28-13-19-10-20(14-28)12-21(11-19)15-28/h2-5,18-21H,6-17H2,1H3","NRVXAGMEZVPEKH-UHFFFAOYSA-N",null,">55690"]
[33174,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67138","COc1cc2nc(CN3CCOCC3)n(Cc3nnc(o3)-c3ccc(Cl)cc3)c(=O)c2cc1OC","InChI=1S/C24H24ClN5O5/c1-32-19-11-17-18(12-20(19)33-2)26-21(13-29-7-9-34-10-8-29)30(24(17)31)14-22-27-28-23(35-22)15-3-5-16(25)6-4-15/h3-6,11-12H,7-10,13-14H2,1-2H3","MIFDHNGLWHIPER-UHFFFAOYSA-N",null,">55690"]
[33175,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67139","COc1cc2nc(CN3CCOCC3)n(Cc3coc(n3)-c3ccccc3)c(=O)c2cc1OC","InChI=1S/C25H26N4O5/c1-31-21-12-19-20(13-22(21)32-2)27-23(15-28-8-10-33-11-9-28)29(25(19)30)14-18-16-34-24(26-18)17-6-4-3-5-7-17/h3-7,12-13,16H,8-11,14-15H2,1-2H3","NELKEAWFPPEHQD-UHFFFAOYSA-N",null,">55690"]
[33176,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67140","COc1cc2nc(CN3CCOCC3)n(Cc3cc(no3)-c3ccccc3OC)c(=O)c2cc1OC","InChI=1S/C26H28N4O6/c1-32-22-7-5-4-6-18(22)21-12-17(36-28-21)15-30-25(16-29-8-10-35-11-9-29)27-20-14-24(34-3)23(33-2)13-19(20)26(30)31/h4-7,12-14H,8-11,15-16H2,1-3H3","YALFILZXFILKCV-UHFFFAOYSA-N",null,">55690"]
[33177,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43512","Cc1ccc(cc1C)-n1nc(C(O)=O)c2ccccc2c1=O","InChI=1S/C17H14N2O3/c1-10-7-8-12(9-11(10)2)19-16(20)14-6-4-3-5-13(14)15(18-19)17(21)22/h3-9H,1-2H3,(H,21,22)","ACAKETVNLPNBBN-UHFFFAOYSA-N",null,">55690"]
[33178,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67093","CN1CCN(CC1)C(=O)c1ccc(cc1)-n1c(=S)[nH]c2ccccc2c1=O","InChI=1S/C20H20N4O2S/c1-22-10-12-23(13-11-22)18(25)14-6-8-15(9-7-14)24-19(26)16-4-2-3-5-17(16)21-20(24)27/h2-9H,10-13H2,1H3,(H,21,27)","DLRNIMFFQVLLII-UHFFFAOYSA-N",null,">55690"]
[33179,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67094","O=C(N1CCN(CC1)C(=O)c1ccc(cc1)-n1c(=S)[nH]c2ccccc2c1=O)c1ccco1","InChI=1S/C24H20N4O4S/c29-21(26-11-13-27(14-12-26)23(31)20-6-3-15-32-20)16-7-9-17(10-8-16)28-22(30)18-4-1-2-5-19(18)25-24(28)33/h1-10,15H,11-14H2,(H,25,33)","BRKSCRGWJWUBID-UHFFFAOYSA-N",null,">55690"]
[33180,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43503","Cc1ccc2[nH]c3c(ncnc3c2c1)N1CCN(Cc2ccccc2)CC1","InChI=1S/C22H23N5/c1-16-7-8-19-18(13-16)20-21(25-19)22(24-15-23-20)27-11-9-26(10-12-27)14-17-5-3-2-4-6-17/h2-8,13,15,25H,9-12,14H2,1H3","VCOWTYMXDKKCRD-UHFFFAOYSA-N",null,">55700"]
[33181,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43504","Cc1ccccc1-c1noc(N)c1C#N","InChI=1S/C11H9N3O/c1-7-4-2-3-5-8(7)10-9(6-12)11(13)15-14-10/h2-5H,13H2,1H3","MKMUSRBILMAWNJ-UHFFFAOYSA-N",null,">55700"]
[33182,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43515","CCOc1cc(cc(OCC)c1OCC)-c1noc(N)c1C#N","InChI=1S/C16H19N3O4/c1-4-20-12-7-10(14-11(9-17)16(18)23-19-14)8-13(21-5-2)15(12)22-6-3/h7-8H,4-6,18H2,1-3H3","OLALEGDVRAAJRH-UHFFFAOYSA-N",null,">55700"]
[33183,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43518","Cc1cccc(\\C=C(/c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)c1","InChI=1S/C22H18N2O2S/c1-16-8-7-9-17(14-16)15-21(27(25,26)18-10-3-2-4-11-18)22-23-19-12-5-6-13-20(19)24-22/h2-15H,1H3,(H,23,24)/b21-15+","WGIAMJYITRWTAE-RCCKNPSSSA-N",null,">55700"]
[33184,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46336","COC(=O)c1cccc(NC(=O)CSc2nc3cccnc3n2C)c1","InChI=1S/C17H16N4O3S/c1-21-15-13(7-4-8-18-15)20-17(21)25-10-14(22)19-12-6-3-5-11(9-12)16(23)24-2/h3-9H,10H2,1-2H3,(H,19,22)","LSBATUITNJQOCI-UHFFFAOYSA-N",null,">55700"]
[33185,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM35354","CC1CCCCC1NS(=O)(=O)c1ccc(cc1)S(=O)(=O)NCc1ccncc1","InChI=1S/C19H25N3O4S2/c1-15-4-2-3-5-19(15)22-28(25,26)18-8-6-17(7-9-18)27(23,24)21-14-16-10-12-20-13-11-16/h6-13,15,19,21-22H,2-5,14H2,1H3","VPEXBQDMDLLQHD-UHFFFAOYSA-N",null,">55700"]
[33186,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46337","Clc1ccc(CSc2nnc(Cn3cnc4ccccc34)o2)cc1","InChI=1S/C17H13ClN4OS/c18-13-7-5-12(6-8-13)10-24-17-21-20-16(23-17)9-22-11-19-14-3-1-2-4-15(14)22/h1-8,11H,9-10H2","WKLPJFOCHXMHHO-UHFFFAOYSA-N",null,">55700"]
[33187,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM42583","Oc1cccc2c1sc1nc3CCCCCn3c(=O)c21","InChI=1S/C15H14N2O2S/c18-10-6-4-5-9-12-14(20-13(9)10)16-11-7-2-1-3-8-17(11)15(12)19/h4-6,18H,1-3,7-8H2","ROGKCGCLJPZITK-UHFFFAOYSA-N",null,">55700"]
[33188,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46338","O=S(=O)(N1CCC(CC1)c1nc2ccccc2s1)c1ccc2OCCOc2c1","InChI=1S/C20H20N2O4S2/c23-28(24,15-5-6-17-18(13-15)26-12-11-25-17)22-9-7-14(8-10-22)20-21-16-3-1-2-4-19(16)27-20/h1-6,13-14H,7-12H2","GEMOCDSTDIAJGI-UHFFFAOYSA-N",null,">55700"]
[33189,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46339","Nc1c(nsc1C(=O)OCC(=O)NC1CCCCC1)C(=O)NC1CCCCC1","InChI=1S/C19H28N4O4S/c20-15-16(18(25)22-13-9-5-2-6-10-13)23-28-17(15)19(26)27-11-14(24)21-12-7-3-1-4-8-12/h12-13H,1-11,20H2,(H,21,24)(H,22,25)","PWTYGDOFAUBOTG-UHFFFAOYSA-N",null,">55700"]
[33190,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM36863","O=C(Nc1nccs1)c1ccc(cc1)S(=O)(=O)NCC1CCCCC1","InChI=1S/C17H21N3O3S2/c21-16(20-17-18-10-11-24-17)14-6-8-15(9-7-14)25(22,23)19-12-13-4-2-1-3-5-13/h6-11,13,19H,1-5,12H2,(H,18,20,21)","QFQOHPYLCCJBDK-UHFFFAOYSA-N",null,">55700"]
[33191,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46340","COc1ccc2nc3n(CC(C)C)nc(NC(=O)c4cccs4)c3cc2c1","InChI=1S/C20H20N4O2S/c1-12(2)11-24-19-15(10-13-9-14(26-3)6-7-16(13)21-19)18(23-24)22-20(25)17-5-4-8-27-17/h4-10,12H,11H2,1-3H3,(H,22,23,25)","GZTSSNCBJRWJOA-UHFFFAOYSA-N",null,">55700"]
[33192,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM38926","COc1ccccc1OCC(=O)c1[nH]c(C)c(C(C)=O)c1C","InChI=1S/C17H19NO4/c1-10-16(12(3)19)11(2)18-17(10)13(20)9-22-15-8-6-5-7-14(15)21-4/h5-8,18H,9H2,1-4H3","FJAIZBMFLWKECJ-UHFFFAOYSA-N",null,">55700"]
[33193,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM36974","Cc1noc(C)c1CSCC(=O)N1CCN(CC1)c1cccc(C)c1C","InChI=1S/C20H27N3O2S/c1-14-6-5-7-19(15(14)2)22-8-10-23(11-9-22)20(24)13-26-12-18-16(3)21-25-17(18)4/h5-7H,8-13H2,1-4H3","UOYXGXJBTVISCR-UHFFFAOYSA-N",null,">55700"]
[33194,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50240982","C[C@H]1CCC[C@@H](O)CCC\\C=C\\c2cc(O)cc(O)c2C(=O)O1","InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14-/m0/s1","FPQFYIAXQDXNOR-PMRAARRBSA-N",null,">55700"]
[33195,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46341","CCOC(=O)Cc1csc(SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)n1","InChI=1S/C18H24N4O5S2/c1-5-27-13(24)6-11-8-28-17(20-11)29-9-12(23)14-15(19)22(7-10(2)3)18(26)21(4)16(14)25/h8,10H,5-7,9,19H2,1-4H3","ZZXNWSABDOCEFL-UHFFFAOYSA-N",null,">55700"]
[33196,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46342","COc1ccc(C)cc1-n1nnnc1SCn1nnc2ccccc2c1=O","InChI=1S/C17H15N7O2S/c1-11-7-8-15(26-2)14(9-11)24-17(19-20-22-24)27-10-23-16(25)12-5-3-4-6-13(12)18-21-23/h3-9H,10H2,1-2H3","HLDJHWGOBLAADY-UHFFFAOYSA-N",null,">55700"]
[33197,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM42690","O=C(COC(=O)c1n[nH]c2ccccc12)Nc1ccc(cc1)S(=O)(=O)N1CCCC1","InChI=1S/C20H20N4O5S/c25-18(13-29-20(26)19-16-5-1-2-6-17(16)22-23-19)21-14-7-9-15(10-8-14)30(27,28)24-11-3-4-12-24/h1-2,5-10H,3-4,11-13H2,(H,21,25)(H,22,23)","MFFBAVUXCAMGJT-UHFFFAOYSA-N",null,">55700"]
[33198,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM37028","Clc1ccc(s1)-c1csc(NC(=O)c2ccncc2)n1","InChI=1S/C13H8ClN3OS2/c14-11-2-1-10(20-11)9-7-19-13(16-9)17-12(18)8-3-5-15-6-4-8/h1-7H,(H,16,17,18)","WWHAQTXUFGXWME-UHFFFAOYSA-N",null,">55700"]
[33199,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM37289","Cc1cc(NC(=O)c2cc(on2)-c2cccs2)nn1Cc1ccc(Cl)cc1","InChI=1S/C19H15ClN4O2S/c1-12-9-18(22-24(12)11-13-4-6-14(20)7-5-13)21-19(25)15-10-16(26-23-15)17-3-2-8-27-17/h2-10H,11H2,1H3,(H,21,22,25)","YIDDHVXSPBHXFX-UHFFFAOYSA-N",null,">55700"]
[33200,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46343","O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(cc1)S(=O)(=O)N1CCOCC1","InChI=1S/C23H23N3O4S/c27-23(25-21-5-1-18(2-6-21)17-19-9-11-24-12-10-19)20-3-7-22(8-4-20)31(28,29)26-13-15-30-16-14-26/h1-12H,13-17H2,(H,25,27)","VMXPKINUOWOAFI-UHFFFAOYSA-N",null,">55700"]
[33201,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM38117","CC(=O)N1CCc2cc(ccc12)S(=O)(=O)NC1CCCc2ccccc12","InChI=1S/C20H22N2O3S/c1-14(23)22-12-11-16-13-17(9-10-20(16)22)26(24,25)21-19-8-4-6-15-5-2-3-7-18(15)19/h2-3,5,7,9-10,13,19,21H,4,6,8,11-12H2,1H3","BJRDSGROVGTIMG-UHFFFAOYSA-N",null,">55700"]
[33202,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43950","Brc1ccc2nc(sc2c1)N1CCC(CC1)C(=O)N1CCC2(CC1)OCCO2","InChI=1S/C20H24BrN3O3S/c21-15-1-2-16-17(13-15)28-19(22-16)24-7-3-14(4-8-24)18(25)23-9-5-20(6-10-23)26-11-12-27-20/h1-2,13-14H,3-12H2","PUYUEZYEZDGPGV-UHFFFAOYSA-N",null,">55700"]
[33203,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46345","Cc1nc(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cs1","InChI=1S/C17H16N2O3S2/c1-13-19-14(12-23-13)11-18-24(20,21)17-9-7-16(8-10-17)22-15-5-3-2-4-6-15/h2-10,12,18H,11H2,1H3","OXTHLNRFVHLMQI-UHFFFAOYSA-N",null,">55700"]
[33204,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM37095","Cc1nc2sccn2c1-c1csc(NCc2ccccc2)n1","InChI=1S/C16H14N4S2/c1-11-14(20-7-8-21-16(20)18-11)13-10-22-15(19-13)17-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,19)","QLJGQLPHQVQVJE-UHFFFAOYSA-N",null,">55700"]
[33205,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46346","O=C1CCCN1c1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1ccccc1","InChI=1S/C21H24N2O3S/c24-21-7-4-14-23(21)19-8-10-20(11-9-19)27(25,26)22-15-12-18(13-16-22)17-5-2-1-3-6-17/h1-3,5-6,8-11,18H,4,7,12-16H2","CAVQCWOAPXMFIX-UHFFFAOYSA-N",null,">55700"]
[33206,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46347","CCc1c(C)c2ccc(OCC(=O)OC(C)C)c(C)c2oc1=O","InChI=1S/C18H22O5/c1-6-13-11(4)14-7-8-15(12(5)17(14)23-18(13)20)21-9-16(19)22-10(2)3/h7-8,10H,6,9H2,1-5H3","GYGUKFHVTLLUMK-UHFFFAOYSA-N",null,">55700"]
[33207,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46349","CCCCOc1ccc(cc1)C(=O)Nc1ccncc1","InChI=1S/C16H18N2O2/c1-2-3-12-20-15-6-4-13(5-7-15)16(19)18-14-8-10-17-11-9-14/h4-11H,2-3,12H2,1H3,(H,17,18,19)","YZZMLZCSPXWQRI-UHFFFAOYSA-N",null,">55700"]
[33208,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46350","CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1","InChI=1S/C21H24N2O4/c1-2-27-21(25)18-7-9-19(10-8-18)22-20(24)17-5-3-16(4-6-17)15-23-11-13-26-14-12-23/h3-10H,2,11-15H2,1H3,(H,22,24)","HVXPCGOHBRRLOW-UHFFFAOYSA-N",null,">55700"]
[33209,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM37339","C(C(c1ccccc1)c1ccccc1)c1nc(no1)-c1ccncc1","InChI=1S/C21H17N3O/c1-3-7-16(8-4-1)19(17-9-5-2-6-10-17)15-20-23-21(24-25-20)18-11-13-22-14-12-18/h1-14,19H,15H2","JYPYYFFRWXFBTB-UHFFFAOYSA-N",null,">55700"]
[33210,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46351","CCN(CC)c1ccc(NC(=O)CN2C(=O)CSc3ncccc23)c(C)c1","InChI=1S/C20H24N4O2S/c1-4-23(5-2)15-8-9-16(14(3)11-15)22-18(25)12-24-17-7-6-10-21-20(17)27-13-19(24)26/h6-11H,4-5,12-13H2,1-3H3,(H,22,25)","IAVBQSLVXXOVJH-UHFFFAOYSA-N",null,">55700"]
[33211,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM37148","CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(CC2)c2cc(Cl)ccc2C)cc1","InChI=1S/C22H28ClN3O4S/c1-16(2)24-31(28,29)20-8-6-19(7-9-20)30-15-22(27)26-12-10-25(11-13-26)21-14-18(23)5-4-17(21)3/h4-9,14,16,24H,10-13,15H2,1-3H3","RTCFCSGOPTVXMC-UHFFFAOYSA-N",null,">55700"]
[33212,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM37177","Cn1c2ccc(cc2oc1=O)S(=O)(=O)N1CCCC(C1)C(=O)N1CCC(=CC1)c1ccccc1","InChI=1S/C25H27N3O5S/c1-26-22-10-9-21(16-23(22)33-25(26)30)34(31,32)28-13-5-8-20(17-28)24(29)27-14-11-19(12-15-27)18-6-3-2-4-7-18/h2-4,6-7,9-11,16,20H,5,8,12-15,17H2,1H3","OWBGISLNTYHBAE-UHFFFAOYSA-N",null,">55700"]
[33213,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46352","O=C(NC1CC1)c1cc2COc3ccccc3-c2s1","InChI=1S/C15H13NO2S/c17-15(16-10-5-6-10)13-7-9-8-18-12-4-2-1-3-11(12)14(9)19-13/h1-4,7,10H,5-6,8H2,(H,16,17)","NMEUISSPDVDMBJ-UHFFFAOYSA-N",null,">55700"]
[33214,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM37205","CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc(cs1)-c1cccs1","InChI=1S/C16H15N3O3S3/c1-19(2)25(21,22)12-7-5-11(6-8-12)15(20)18-16-17-13(10-24-16)14-4-3-9-23-14/h3-10H,1-2H3,(H,17,18,20)","OZCWRZJOJLPDDW-UHFFFAOYSA-N",null,">55700"]
[33215,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM37218","O=C(Nc1ccc(Oc2ccccc2)cc1)c1cnc2SCCn2c1=O","InChI=1S/C19H15N3O3S/c23-17(16-12-20-19-22(18(16)24)10-11-26-19)21-13-6-8-15(9-7-13)25-14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,21,23)","FJGYYALBERLCNB-UHFFFAOYSA-N",null,">55700"]
[33216,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46353","COc1cc(OC)cc(c1)C(=O)Nc1ccc(cc1)-c1nc2ccccc2o1","InChI=1S/C22H18N2O4/c1-26-17-11-15(12-18(13-17)27-2)21(25)23-16-9-7-14(8-10-16)22-24-19-5-3-4-6-20(19)28-22/h3-13H,1-2H3,(H,23,25)","JWBPRZWEKRGVEE-UHFFFAOYSA-N",null,">55700"]
[33217,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46354","Cc1cc(OCC(=O)Nc2ccncc2)ccc1Br","InChI=1S/C14H13BrN2O2/c1-10-8-12(2-3-13(10)15)19-9-14(18)17-11-4-6-16-7-5-11/h2-8H,9H2,1H3,(H,16,17,18)","YYOZBJVGXCNIDH-UHFFFAOYSA-N",null,">55700"]
[33218,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46355","C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C","InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1","LTMHDMANZUZIPE-PUGKRICDSA-N",null,">55700"]
[33219,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50286739","C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=CC(=O)OC2)[C@H](O)[C@H](O)[C@H]1O","InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1","LPMXVESGRSUGHW-HBYQJFLCSA-N",null,">55700"]
[33220,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46356","C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C","InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1","WDJUZGPOPHTGOT-XUDUSOBPSA-N",null,">55700"]
[33221,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46357","O=C1C2C(C3c4ccccc4C2c2ccccc32)c2nc3ccccc3n12","InChI=1S/C24H16N2O/c27-24-22-20-15-9-3-1-7-13(15)19(14-8-2-4-10-16(14)20)21(22)23-25-17-11-5-6-12-18(17)26(23)24/h1-12,19-22H","YKWULJVVXOGHSJ-UHFFFAOYSA-N",null,">55700"]
[33222,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46358","CC(=O)c1cn(CC(=O)Nc2ccccc2C)c2ccccc12","InChI=1S/C19H18N2O2/c1-13-7-3-5-9-17(13)20-19(23)12-21-11-16(14(2)22)15-8-4-6-10-18(15)21/h3-11H,12H2,1-2H3,(H,20,23)","JPMWFRLLJNNHDW-UHFFFAOYSA-N",null,">55700"]
[33223,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46359","O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(CC1)c1c2CCCc2nc2ncnn12","InChI=1S/C26H26N6O2/c33-24(29-19-9-11-21(12-10-19)34-20-5-2-1-3-6-20)18-13-15-31(16-14-18)25-22-7-4-8-23(22)30-26-27-17-28-32(25)26/h1-3,5-6,9-12,17-18H,4,7-8,13-16H2,(H,29,33)","BEGKUBYMGKHTEQ-UHFFFAOYSA-N",null,">55700"]
[33224,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46360","COc1ccc(Br)cc1C(C)=NNC1=NCCN1","InChI=1S/C12H15BrN4O/c1-8(16-17-12-14-5-6-15-12)10-7-9(13)3-4-11(10)18-2/h3-4,7H,5-6H2,1-2H3,(H2,14,15,17)","WECQZDGNZQWMJJ-UHFFFAOYSA-N",null,">55700"]
[33225,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46361","O=C(Nc1ccncc1)c1ccc2C(=O)N(C3CCCCC3)C(=O)c2c1","InChI=1S/C20H19N3O3/c24-18(22-14-8-10-21-11-9-14)13-6-7-16-17(12-13)20(26)23(19(16)25)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,21,22,24)","OOTAAKCXVVNNBK-UHFFFAOYSA-N",null,">55700"]
[33226,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46362","Cc1ccccc1OCCCCn1cnc2ccccc12","InChI=1S/C18H20N2O/c1-15-8-2-5-11-18(15)21-13-7-6-12-20-14-19-16-9-3-4-10-17(16)20/h2-5,8-11,14H,6-7,12-13H2,1H3","PUSUWPZWRUXDLX-UHFFFAOYSA-N",null,">55700"]
[33227,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46364","CCOC(=O)c1sc2nc(CC(=O)OC)nc(NCc3ccc(Cl)cc3)c2c1C","InChI=1S/C20H20ClN3O4S/c1-4-28-20(26)17-11(2)16-18(22-10-12-5-7-13(21)8-6-12)23-14(9-15(25)27-3)24-19(16)29-17/h5-8H,4,9-10H2,1-3H3,(H,22,23,24)","ZYSMPTUHBIMKRI-UHFFFAOYSA-N",null,">55700"]
[33228,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46365","CN(c1ccc(cc1)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1)S(=O)(=O)c1ccc(C)cc1","InChI=1S/C27H29N3O5S/c1-20-3-10-24(11-4-20)36(32,33)28(2)23-8-6-22(7-9-23)27(31)30-15-13-29(14-16-30)18-21-5-12-25-26(17-21)35-19-34-25/h3-12,17H,13-16,18-19H2,1-2H3","MVXZWUIEUSJAIH-UHFFFAOYSA-N",null,">55700"]
[33229,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46367","CSc1ccc(NC(=O)N2CCN(CC2)c2nc3ccccc3s2)cc1","InChI=1S/C19H20N4OS2/c1-25-15-8-6-14(7-9-15)20-18(24)22-10-12-23(13-11-22)19-21-16-4-2-3-5-17(16)26-19/h2-9H,10-13H2,1H3,(H,20,24)","CCFJVQJFPXUOIA-UHFFFAOYSA-N",null,">55700"]
[33230,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46368","Cc1cccc(C)c1NC(=O)N1CCN(CC1)c1nc2ccccc2s1","InChI=1S/C20H22N4OS/c1-14-6-5-7-15(2)18(14)22-19(25)23-10-12-24(13-11-23)20-21-16-8-3-4-9-17(16)26-20/h3-9H,10-13H2,1-2H3,(H,22,25)","OVKRHBNOCCTYSM-UHFFFAOYSA-N",null,">55700"]
[33231,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM33082","CCOC(=O)C1=C(Cc2ccc(C)cc2)C(=O)c2ccccc2C1=O","InChI=1S/C21H18O4/c1-3-25-21(24)18-17(12-14-10-8-13(2)9-11-14)19(22)15-6-4-5-7-16(15)20(18)23/h4-11H,3,12H2,1-2H3","BPOJTSJPTIZJSW-UHFFFAOYSA-N",null,">55700"]
[33232,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46369","COc1ccc(cc1OC)C(=O)Nc1ccc2oc(Cc3ccc(Cl)cc3)nc2c1","InChI=1S/C23H19ClN2O4/c1-28-20-9-5-15(12-21(20)29-2)23(27)25-17-8-10-19-18(13-17)26-22(30-19)11-14-3-6-16(24)7-4-14/h3-10,12-13H,11H2,1-2H3,(H,25,27)","OWTRXLHEWOZHAT-UHFFFAOYSA-N",null,">55700"]
[33233,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46370","Cc1cc(OCC(=O)Nc2ccncc2)cc(C)c1Br","InChI=1S/C15H15BrN2O2/c1-10-7-13(8-11(2)15(10)16)20-9-14(19)18-12-3-5-17-6-4-12/h3-8H,9H2,1-2H3,(H,17,18,19)","IIBZTYUIHARCEJ-UHFFFAOYSA-N",null,">55700"]
[33234,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46371","Cn1c(CN2CCCCC2)nc2cc(NC(=O)c3cccc(Br)c3)ccc12","InChI=1S/C21H23BrN4O/c1-25-19-9-8-17(23-21(27)15-6-5-7-16(22)12-15)13-18(19)24-20(25)14-26-10-3-2-4-11-26/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,23,27)","WJUUHRHDGJFIEO-UHFFFAOYSA-N",null,">55700"]
[33235,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46372","O=C1C2[C@H](C3c4ccccc4C2c2ccccc32)c2nc3ccccc3n12","InChI=1S/C24H16N2O/c27-24-22-20-15-9-3-1-7-13(15)19(14-8-2-4-10-16(14)20)21(22)23-25-17-11-5-6-12-18(17)26(23)24/h1-12,19-22H/t19?,20?,21-,22?/m0/s1","YKWULJVVXOGHSJ-GMONCZTGSA-N",null,">55700"]
[33236,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46373","Cc1ccc(c(C)c1)-n1nnnc1SCn1nnc2ccccc2c1=O","InChI=1S/C17H15N7OS/c1-11-7-8-15(12(2)9-11)24-17(19-20-22-24)26-10-23-16(25)13-5-3-4-6-14(13)18-21-23/h3-9H,10H2,1-2H3","GGGABHNGOJPZKD-UHFFFAOYSA-N",null,">55700"]
[33237,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46376","O=C(CSc1ccc2ccccc2c1)Nc1ccncc1","InChI=1S/C17H14N2OS/c20-17(19-15-7-9-18-10-8-15)12-21-16-6-5-13-3-1-2-4-14(13)11-16/h1-11H,12H2,(H,18,19,20)","YAYIQENNTMAGSX-UHFFFAOYSA-N",null,">55700"]
[33238,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46377","COC(=O)Oc1ccc(C=NNC(=O)CSCc2ccccc2Br)cc1OC","InChI=1S/C19H19BrN2O5S/c1-25-17-9-13(7-8-16(17)27-19(24)26-2)10-21-22-18(23)12-28-11-14-5-3-4-6-15(14)20/h3-10H,11-12H2,1-2H3,(H,22,23)","PPGGAPXEUXGXFM-UHFFFAOYSA-N",null,">55700"]
[33239,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46378","Fc1ccccc1Cn1ccc(NC(=O)c2ccc(COc3ccccc3Cl)cc2)n1","InChI=1S/C24H19ClFN3O2/c25-20-6-2-4-8-22(20)31-16-17-9-11-18(12-10-17)24(30)27-23-13-14-29(28-23)15-19-5-1-3-7-21(19)26/h1-14H,15-16H2,(H,27,28,30)","SIXLGGLREGGDSV-UHFFFAOYSA-N",null,">55700"]
[33240,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46380","Oc1c2CCCCc2c(O)n1-c1ccccc1OC(=O)c1ccccc1","InChI=1S/C21H19NO4/c23-19-15-10-4-5-11-16(15)20(24)22(19)17-12-6-7-13-18(17)26-21(25)14-8-2-1-3-9-14/h1-3,6-9,12-13,23-24H,4-5,10-11H2","OPUYVFLNBPAIDJ-UHFFFAOYSA-N",null,">55700"]
[33241,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46381","CC1CCc2c(O)n(c(O)c2C1)-c1ccccc1OC(=O)c1ccccc1","InChI=1S/C22H21NO4/c1-14-11-12-16-17(13-14)21(25)23(20(16)24)18-9-5-6-10-19(18)27-22(26)15-7-3-2-4-8-15/h2-10,14,24-25H,11-13H2,1H3","ATIKXNJFKCKHNN-UHFFFAOYSA-N",null,">55700"]
[33242,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46382","Nc1cc(nn1Cc1ccc(Cl)cc1)-c1ccccc1","InChI=1S/C16H14ClN3/c17-14-8-6-12(7-9-14)11-20-16(18)10-15(19-20)13-4-2-1-3-5-13/h1-10H,11,18H2","FRRXTDGETSNRAZ-UHFFFAOYSA-N",null,">55700"]
[33243,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46383","Clc1ccc2ncc(-c3nnnn3-c3ccccc3)c(-c3ccccc3)c2c1","InChI=1S/C22H14ClN5/c23-16-11-12-20-18(13-16)21(15-7-3-1-4-8-15)19(14-24-20)22-25-26-27-28(22)17-9-5-2-6-10-17/h1-14H","QCPYMEACPSNFNB-UHFFFAOYSA-N",null,">55700"]
[33244,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46384","CCOc1cc(ccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=S)N1CCOCC1","InChI=1S/C21H24N2O6S2/c1-3-28-20-14-16(21(30)23-10-12-27-13-11-23)4-9-19(20)29-31(25,26)18-7-5-17(6-8-18)22-15(2)24/h4-9,14H,3,10-13H2,1-2H3,(H,22,24)","KYEAAILAIPUQBY-UHFFFAOYSA-N",null,">55700"]
[33245,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46385","Fc1ccccc1Cn1ccc(NC(=O)c2ccc(COc3ccc(Br)cc3)cc2)n1","InChI=1S/C24H19BrFN3O2/c25-20-9-11-21(12-10-20)31-16-17-5-7-18(8-6-17)24(30)27-23-13-14-29(28-23)15-19-3-1-2-4-22(19)26/h1-14H,15-16H2,(H,27,28,30)","UAWSIVZHCJZCCR-UHFFFAOYSA-N",null,">55700"]
[33246,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46386","Cc1cc(C)n(Cc2ccc(NC(=O)c3ccc(COc4ccccc4Br)cc3)cc2)n1","InChI=1S/C26H24BrN3O2/c1-18-15-19(2)30(29-18)16-20-9-13-23(14-10-20)28-26(31)22-11-7-21(8-12-22)17-32-25-6-4-3-5-24(25)27/h3-15H,16-17H2,1-2H3,(H,28,31)","LSIJVGVQXDFLSS-UHFFFAOYSA-N",null,">55700"]
[33247,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46388","Cc1nc2ccccc2cc1OCc1ccc(F)cc1","InChI=1S/C17H14FNO/c1-12-17(10-14-4-2-3-5-16(14)19-12)20-11-13-6-8-15(18)9-7-13/h2-10H,11H2,1H3","UCKMAYAEGOOXBZ-UHFFFAOYSA-N",null,">55700"]
[33248,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46389","CN(C)S(=O)(=O)Oc1cccc(c1)C(=O)Nc1ccc(Cl)cc1","InChI=1S/C15H15ClN2O4S/c1-18(2)23(20,21)22-14-5-3-4-11(10-14)15(19)17-13-8-6-12(16)7-9-13/h3-10H,1-2H3,(H,17,19)","HEVAISJKFSCVHX-UHFFFAOYSA-N",null,">55700"]
[33249,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46390","Cc1nc2ccccc2cc1OCc1ccccc1","InChI=1S/C17H15NO/c1-13-17(19-12-14-7-3-2-4-8-14)11-15-9-5-6-10-16(15)18-13/h2-11H,12H2,1H3","QCEYXLPBTZCAKG-UHFFFAOYSA-N",null,">55700"]
[33250,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46391","Clc1ccccc1C(=O)Oc1cccc(Nc2ncnc3ccccc23)c1","InChI=1S/C21H14ClN3O2/c22-18-10-3-1-8-16(18)21(26)27-15-7-5-6-14(12-15)25-20-17-9-2-4-11-19(17)23-13-24-20/h1-13H,(H,23,24,25)","RCXVWLCVTINCAH-UHFFFAOYSA-N",null,">55700"]
[33251,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46392","CCCOc1ccc(CSc2nc3ccccc3[nH]2)cc1","InChI=1S/C17H18N2OS/c1-2-11-20-14-9-7-13(8-10-14)12-21-17-18-15-5-3-4-6-16(15)19-17/h3-10H,2,11-12H2,1H3,(H,18,19)","NLKCZKNZIAJHCS-UHFFFAOYSA-N",null,">55700"]
[33252,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46393","Cc1ccc2c(C)nc(Nc3nc(CSc4nc5ccccc5[nH]4)cc(=O)[nH]3)nc2c1","InChI=1S/C22H19N7OS/c1-12-7-8-15-13(2)23-20(25-18(15)9-12)29-21-24-14(10-19(30)28-21)11-31-22-26-16-5-3-4-6-17(16)27-22/h3-10H,11H2,1-2H3,(H,26,27)(H2,23,24,25,28,29,30)","XWWORBHMPHQORH-UHFFFAOYSA-N",null,">55700"]
[33253,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46394","COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(cc3)N(C)S(C)(=O)=O)cc2)cc1","InChI=1S/C22H23N3O6S2/c1-25(32(3,27)28)19-10-4-16(5-11-19)22(26)23-17-8-14-21(15-9-17)33(29,30)24-18-6-12-20(31-2)13-7-18/h4-15,24H,1-3H3,(H,23,26)","LECNAJNIZJTMOA-UHFFFAOYSA-N",null,">55700"]
[33254,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46395","Oc1ccc(-c2n[nH]c(=S)n2-c2ccc3OCCOc3c2)c(O)c1","InChI=1S/C16H13N3O4S/c20-10-2-3-11(12(21)8-10)15-17-18-16(24)19(15)9-1-4-13-14(7-9)23-6-5-22-13/h1-4,7-8,20-21H,5-6H2,(H,18,24)","FQOSLXVLYVFXEN-UHFFFAOYSA-N",null,">55700"]
[33255,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46399","Clc1ccc(cn1)C(=O)Nc1cccc(c1)S(=O)(=O)Nc1ccccc1Cl","InChI=1S/C18H13Cl2N3O3S/c19-15-6-1-2-7-16(15)23-27(25,26)14-5-3-4-13(10-14)22-18(24)12-8-9-17(20)21-11-12/h1-11,23H,(H,22,24)","GNGFOKQODMWBEP-UHFFFAOYSA-N",null,">55700"]
[33256,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46400","COc1ccc(C=NNC(=S)Nc2ccccc2[N+]([O-])=O)cc1O","InChI=1S/C15H14N4O4S/c1-23-14-7-6-10(8-13(14)20)9-16-18-15(24)17-11-4-2-3-5-12(11)19(21)22/h2-9,20H,1H3,(H2,17,18,24)","BTFZMLMPBYKRGU-UHFFFAOYSA-N",null,">55700"]
[33257,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46401","CCCOc1cc[c-](C=[NH+]NC(=S)Nc2ccccc2[N+]([O-])=O)c(=O)c1","InChI=1S/C17H17N4O4S/c1-2-9-25-13-8-7-12(16(22)10-13)11-18-20-17(26)19-14-5-3-4-6-15(14)21(23)24/h3-8,10-11H,2,9H2,1H3,(H2,19,20,26)/q-1/p+1","VKZQLCDUHSNDRE-UHFFFAOYSA-O",null,">55700"]
[33258,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46402","COc1cc(OC)cc(c1)C(=O)Nc1nnc(NC(=S)Nc2ccccc2)s1","InChI=1S/C18H17N5O3S2/c1-25-13-8-11(9-14(10-13)26-2)15(24)20-17-22-23-18(28-17)21-16(27)19-12-6-4-3-5-7-12/h3-10H,1-2H3,(H,20,22,24)(H2,19,21,23,27)","FFCQBANGSZWTMH-UHFFFAOYSA-N",null,">55700"]
[33259,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46403","CC(C)Cn1c(N)c(C(=O)CSc2ccccc2)c(=O)n(C)c1=O","InChI=1S/C17H21N3O3S/c1-11(2)9-20-15(18)14(16(22)19(3)17(20)23)13(21)10-24-12-7-5-4-6-8-12/h4-8,11H,9-10,18H2,1-3H3","LJFMBSRWXNSEBO-UHFFFAOYSA-N",null,">55700"]
[33260,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46404","CNc1ccccc1C(C)(C)c1cc(no1)-c1ccc(F)cc1","InChI=1S/C19H19FN2O/c1-19(2,15-6-4-5-7-16(15)21-3)18-12-17(22-23-18)13-8-10-14(20)11-9-13/h4-12,21H,1-3H3","RGXQSTAXYTZFAH-UHFFFAOYSA-N",null,">55700"]
[33261,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46408","O=C(Nc1ccncc1)c1ccc(cc1)-c1ccccc1","InChI=1S/C18H14N2O/c21-18(20-17-10-12-19-13-11-17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H,(H,19,20,21)","ANWLWGXHARUECE-UHFFFAOYSA-N",null,">55700"]
[33262,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43523","CCOC(=O)N1CCN(CC1)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1","InChI=1S/C21H23ClN2O3S/c1-2-27-21(26)24-13-11-23(12-14-24)20(25)17-5-3-16(4-6-17)15-28-19-9-7-18(22)8-10-19/h3-10H,2,11-15H2,1H3","DCCWNYJXGNAWRL-UHFFFAOYSA-N",null,">55700"]
[33263,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43528","Clc1ccc(cc1)C(=O)N1CCN(CC1)c1ccnc2cc(Cl)ccc12","InChI=1S/C20H17Cl2N3O/c21-15-3-1-14(2-4-15)20(26)25-11-9-24(10-12-25)19-7-8-23-18-13-16(22)5-6-17(18)19/h1-8,13H,9-12H2","AAYTXOPXLXAKHP-UHFFFAOYSA-N",null,">55700"]
[33264,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43535","COc1ccc(CCNc2ncnc3cc(OC)c(OC)cc23)cc1OC","InChI=1S/C20H23N3O4/c1-24-16-6-5-13(9-17(16)25-2)7-8-21-20-14-10-18(26-3)19(27-4)11-15(14)22-12-23-20/h5-6,9-12H,7-8H2,1-4H3,(H,21,22,23)","QECYXZZAYWHQKA-UHFFFAOYSA-N",null,">55700"]
[33265,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43536","COc1ccccc1CNc1ncnc2cc(Cl)ccc12","InChI=1S/C16H14ClN3O/c1-21-15-5-3-2-4-11(15)9-18-16-13-7-6-12(17)8-14(13)19-10-20-16/h2-8,10H,9H2,1H3,(H,18,19,20)","AVFORMQVVOKGEA-UHFFFAOYSA-N",null,">55700"]
[33266,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43544","O=C(NNC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc12)c1ccccc1","InChI=1S/C22H19N3O4S/c26-21(17-8-2-1-3-9-17)23-24-22(27)18-10-6-11-19(15-18)30(28,29)25-14-13-16-7-4-5-12-20(16)25/h1-12,15H,13-14H2,(H,23,26)(H,24,27)","FFONUTVMHVRIEP-UHFFFAOYSA-N",null,">55700"]
[33267,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46409","CCC1N(Cc2nc(oc2C)-c2ccc(cc2)-c2ccccc2)CCNC1=O","InChI=1S/C23H25N3O2/c1-3-21-22(27)24-13-14-26(21)15-20-16(2)28-23(25-20)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,21H,3,13-15H2,1-2H3,(H,24,27)","FUSSCZQVVQIIPW-UHFFFAOYSA-N",null,">55700"]
[33268,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46410","CCCCCCCc1ccc(nc1)-c1ccc(O)cc1","InChI=1S/C18H23NO/c1-2-3-4-5-6-7-15-8-13-18(19-14-15)16-9-11-17(20)12-10-16/h8-14,20H,2-7H2,1H3","JZFVMTKUEHVOSZ-UHFFFAOYSA-N",null,">55700"]
[33269,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46411","Brc1ccc2C(=O)N(C(=O)c2c1)c1ccc(Cc2ccncc2)cc1","InChI=1S/C20H13BrN2O2/c21-15-3-6-17-18(12-15)20(25)23(19(17)24)16-4-1-13(2-5-16)11-14-7-9-22-10-8-14/h1-10,12H,11H2","AEVYLJIUBXCPPJ-UHFFFAOYSA-N",null,">55700"]
[33270,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46412","O=C(COc1ccc2ccccc2c1)Nc1ccncc1","InChI=1S/C17H14N2O2/c20-17(19-15-7-9-18-10-8-15)12-21-16-6-5-13-3-1-2-4-14(13)11-16/h1-11H,12H2,(H,18,19,20)","JMJREVKWFOMUGX-UHFFFAOYSA-N",null,">55700"]
[33271,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46413","Nc1cc(nn1Cc1ccccc1)-c1ccc(Br)cc1","InChI=1S/C16H14BrN3/c17-14-8-6-13(7-9-14)15-10-16(18)20(19-15)11-12-4-2-1-3-5-12/h1-10H,11,18H2","CKBWLLOYCRFXFT-UHFFFAOYSA-N",null,">55700"]
[33272,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46414","CCC(C)NC(=S)Nc1ccc(cc1)C(=O)OC","InChI=1S/C13H18N2O2S/c1-4-9(2)14-13(18)15-11-7-5-10(6-8-11)12(16)17-3/h5-9H,4H2,1-3H3,(H2,14,15,18)","VOOXZQXIJVBGSN-UHFFFAOYSA-N",null,">55700"]
[33273,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46415","CCC(C)(C)c1ccc(OCCCC[n+]2cccc(C)c2)c(c1)C(C)(C)CC","InChI=1S/C26H40NO/c1-8-25(4,5)22-14-15-24(23(19-22)26(6,7)9-2)28-18-11-10-16-27-17-12-13-21(3)20-27/h12-15,17,19-20H,8-11,16,18H2,1-7H3/q+1","PDJZSOPTHHVYSX-UHFFFAOYSA-N",null,">55700"]
[33274,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46416","CC[n+]1ccccc1\\C=C\\c1ccc(cc1)N(C)C","InChI=1S/C17H21N2/c1-4-19-14-6-5-7-17(19)13-10-15-8-11-16(12-9-15)18(2)3/h5-14H,4H2,1-3H3/q+1","VZWMLCVBIUHDKX-UHFFFAOYSA-N",null,">55700"]
[33275,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46417","Cc1ccc(c(C)c1)-n1ncc2c(SCc3cccnc3)ncnc12","InChI=1S/C19H17N5S/c1-13-5-6-17(14(2)8-13)24-18-16(10-23-24)19(22-12-21-18)25-11-15-4-3-7-20-9-15/h3-10,12H,11H2,1-2H3","FOBWHVBAUPMWAP-UHFFFAOYSA-N",null,">55700"]
[33276,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM32325","Clc1cccc(NC(=O)Nc2ccnc(n2)-c2cccnc2)c1","InChI=1S/C16H12ClN5O/c17-12-4-1-5-13(9-12)20-16(23)22-14-6-8-19-15(21-14)11-3-2-7-18-10-11/h1-10H,(H2,19,20,21,22,23)","GTZVHFRMLFQDFR-UHFFFAOYSA-N",null,">55700"]
[33277,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46418","FC(F)(F)c1ccc(cc1)C(=O)Nc1ccc(nc1)N1CCOCC1","InChI=1S/C17H16F3N3O2/c18-17(19,20)13-3-1-12(2-4-13)16(24)22-14-5-6-15(21-11-14)23-7-9-25-10-8-23/h1-6,11H,7-10H2,(H,22,24)","NCHNSVPJGRZHAO-UHFFFAOYSA-N",null,">55700"]
[33278,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46419","CC(=O)Nc1ccc(cc1)-c1csc(Nc2ccc(Cl)cn2)n1","InChI=1S/C16H13ClN4OS/c1-10(22)19-13-5-2-11(3-6-13)14-9-23-16(20-14)21-15-7-4-12(17)8-18-15/h2-9H,1H3,(H,19,22)(H,18,20,21)","UDSNOORISARPQX-UHFFFAOYSA-N",null,">55700"]
[33279,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46421","Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1","InChI=1S/C20H18N2O2/c1-15-2-6-18(7-3-15)24-19-8-4-17(5-9-19)20(23)22-14-16-10-12-21-13-11-16/h2-13H,14H2,1H3,(H,22,23)","KUELMQAVLKNHFA-UHFFFAOYSA-N",null,">55700"]
[33280,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46423","C(C1CCN(CC1)c1ncnc2sccc12)c1ccccc1","InChI=1S/C18H19N3S/c1-2-4-14(5-3-1)12-15-6-9-21(10-7-15)17-16-8-11-22-18(16)20-13-19-17/h1-5,8,11,13,15H,6-7,9-10,12H2","AJQCKNBBHOVJGO-UHFFFAOYSA-N",null,">55700"]
[33281,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46424","CN1C(=CC(=O)C[n+]2ccc3ccccc3c2)C(C)(C)c2ccccc12","InChI=1S/C23H23N2O/c1-23(2)20-10-6-7-11-21(20)24(3)22(23)14-19(26)16-25-13-12-17-8-4-5-9-18(17)15-25/h4-15H,16H2,1-3H3/q+1","NHPRPVRUYWTIHO-UHFFFAOYSA-N",null,">55700"]
[33282,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46426","CN1C(=CC(=O)C[n+]2ccc(cc2)C(=O)c2ccccc2)C(C)(C)c2ccccc12","InChI=1S/C26H25N2O2/c1-26(2)22-11-7-8-12-23(22)27(3)24(26)17-21(29)18-28-15-13-20(14-16-28)25(30)19-9-5-4-6-10-19/h4-17H,18H2,1-3H3/q+1","WODMGVOQYAYICN-UHFFFAOYSA-N",null,">55700"]
[33283,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46427","COc1ccc(CC(=O)Nc2cccc(SC)c2)cc1OC","InChI=1S/C17H19NO3S/c1-20-15-8-7-12(9-16(15)21-2)10-17(19)18-13-5-4-6-14(11-13)22-3/h4-9,11H,10H2,1-3H3,(H,18,19)","BTWQQJSPCWAOAO-UHFFFAOYSA-N",null,">55700"]
[33284,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46428","NC(=O)C1CCN(CC1)c1ccc(cn1)S(=O)(=O)N1CCC(Cc2ccccc2)CC1","InChI=1S/C23H30N4O3S/c24-23(28)20-10-12-26(13-11-20)22-7-6-21(17-25-22)31(29,30)27-14-8-19(9-15-27)16-18-4-2-1-3-5-18/h1-7,17,19-20H,8-16H2,(H2,24,28)","ARRKLZLOSBNCGW-UHFFFAOYSA-N",null,">55700"]
[33285,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM20274","CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(=O)NC(C)C","InChI=1S/C26H33N4O7P/c1-16(2)13-22(25(32)28-17(3)4)30-26(33)23(29-24(31)20-9-5-19(15-27)6-10-20)14-18-7-11-21(12-8-18)37-38(34,35)36/h5-12,16-17,22-23H,13-14H2,1-4H3,(H,28,32)(H,29,31)(H,30,33)(H2,34,35,36)/t22-,23-/m0/s1","JWLPLFCJJKGTQF-GOTSBHOMSA-N",null,58000]
[33286,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM20276","CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(=O)NC1CCCCC1","InChI=1S/C29H37N4O7P/c1-19(2)16-25(28(35)31-23-6-4-3-5-7-23)33-29(36)26(32-27(34)22-12-8-21(18-30)9-13-22)17-20-10-14-24(15-11-20)40-41(37,38)39/h8-15,19,23,25-26H,3-7,16-17H2,1-2H3,(H,31,35)(H,32,34)(H,33,36)(H2,37,38,39)/t25-,26-/m0/s1","ZFXIMUSPVDQCIE-UIOOFZCWSA-N",null,58000]
[33287,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM20280","CC(C)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N","InChI=1S/C27H35N4O7P/c1-17(2)13-23(26(33)29-16-18(3)4)31-27(34)24(30-25(32)21-9-5-20(15-28)6-10-21)14-19-7-11-22(12-8-19)38-39(35,36)37/h5-12,17-18,23-24H,13-14,16H2,1-4H3,(H,29,33)(H,30,32)(H,31,34)(H2,35,36,37)/t23-,24-/m0/s1","NJMFXDXGAQKJCL-ZEQRLZLVSA-N",null,74000,{"$nulls":4},7.8,"22.00 C"]
[33288,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta/3","Homo sapiens","BDBM20282","CCCCCCNC(=O)c1nc(oc1Cc1ccc(OP(O)(O)=O)cc1)-c1cccc2ccccc12","InChI=1S/C27H29N2O6P/c1-2-3-4-7-17-28-26(30)25-24(18-19-13-15-21(16-14-19)35-36(31,32)33)34-27(29-25)23-12-8-10-20-9-5-6-11-22(20)23/h5-6,8-16H,2-4,7,17-18H2,1H3,(H,28,30)(H2,31,32,33)","NUEVMWXZKGBDPT-UHFFFAOYSA-N",null,92000,{"$nulls":4},7.8,"22.00 C"]
[33289,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM20281","CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(=O)NCc1ccncc1","InChI=1S/C29H32N5O7P/c1-19(2)15-25(28(36)32-18-22-11-13-31-14-12-22)34-29(37)26(33-27(35)23-7-3-21(17-30)4-8-23)16-20-5-9-24(10-6-20)41-42(38,39)40/h3-14,19,25-26H,15-16,18H2,1-2H3,(H,32,36)(H,33,35)(H,34,37)(H2,38,39,40)/t25-,26-/m0/s1","KQCOZNDHXQJJAG-UIOOFZCWSA-N",null,123000,{"$nulls":4},7.8,"22.00 C"]
[33290,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM20282","CCCCCCNC(=O)c1nc(oc1Cc1ccc(OP(O)(O)=O)cc1)-c1cccc2ccccc12","InChI=1S/C27H29N2O6P/c1-2-3-4-7-17-28-26(30)25-24(18-19-13-15-21(16-14-19)35-36(31,32)33)34-27(29-25)23-12-8-10-20-9-5-6-11-22(20)23/h5-6,8-16H,2-4,7,17-18H2,1H3,(H,28,30)(H2,31,32,33)","NUEVMWXZKGBDPT-UHFFFAOYSA-N",null,159000,{"$nulls":4},7.8,"22.00 C"]
[33291,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta/3","Homo sapiens","BDBM20283","Cc1ccc(cc1)S(=O)(=O)OCC(=O)Nc1ccc(C(O)=O)c(O)c1","InChI=1S/C16H15NO7S/c1-10-2-5-12(6-3-10)25(22,23)24-9-15(19)17-11-4-7-13(16(20)21)14(18)8-11/h2-8,18H,9H2,1H3,(H,17,19)(H,20,21)","HWNUSGNZBAISFM-UHFFFAOYSA-N",null,160000,{"$nulls":4},7.8,"22.00 C"]
[33292,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM20283","Cc1ccc(cc1)S(=O)(=O)OCC(=O)Nc1ccc(C(O)=O)c(O)c1","InChI=1S/C16H15NO7S/c1-10-2-5-12(6-3-10)25(22,23)24-9-15(19)17-11-4-7-13(16(20)21)14(18)8-11/h2-8,18H,9H2,1H3,(H,17,19)(H,20,21)","HWNUSGNZBAISFM-UHFFFAOYSA-N",null,">300000",{"$nulls":4},7.8,"22.00 C"]
[33293,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM20277","CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(=O)Nc1ccccc1","InChI=1S/C29H31N4O7P/c1-19(2)16-25(28(35)31-23-6-4-3-5-7-23)33-29(36)26(32-27(34)22-12-8-21(18-30)9-13-22)17-20-10-14-24(15-11-20)40-41(37,38)39/h3-15,19,25-26H,16-17H2,1-2H3,(H,31,35)(H,32,34)(H,33,36)(H2,37,38,39)/t25-,26-/m0/s1","FLVUHEKLFZXMHW-UIOOFZCWSA-N",null,310000,{"$nulls":4},7.8,"22.00 C"]
[33294,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM20273","CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(O)=O","InChI=1S/C23H26N3O8P/c1-14(2)11-20(23(29)30)26-22(28)19(25-21(27)17-7-3-16(13-24)4-8-17)12-15-5-9-18(10-6-15)34-35(31,32)33/h3-10,14,19-20H,11-12H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)(H2,31,32,33)/t19-,20-/m0/s1","HXSAWUQKNZJUNW-PMACEKPBSA-N",null,310000,{"$nulls":4},7.8,"22.00 C"]
[33295,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM20275","CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(=O)NCCCO","InChI=1S/C26H33N4O8P/c1-17(2)14-22(25(33)28-12-3-13-31)30-26(34)23(29-24(32)20-8-4-19(16-27)5-9-20)15-18-6-10-21(11-7-18)38-39(35,36)37/h4-11,17,22-23,31H,3,12-15H2,1-2H3,(H,28,33)(H,29,32)(H,30,34)(H2,35,36,37)/t22-,23-/m0/s1","UMTZXPTVHWTSQL-GOTSBHOMSA-N",null,620000,{"$nulls":4},7.8,"22.00 C"]
[33296,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM20278","CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(=O)NCc1ccccc1","InChI=1S/C30H33N4O7P/c1-20(2)16-26(29(36)32-19-23-6-4-3-5-7-23)34-30(37)27(33-28(35)24-12-8-22(18-31)9-13-24)17-21-10-14-25(15-11-21)41-42(38,39)40/h3-15,20,26-27H,16-17,19H2,1-2H3,(H,32,36)(H,33,35)(H,34,37)(H2,38,39,40)/t26-,27-/m0/s1","YTSKWZWQJCIEGE-SVBPBHIXSA-N",null,800000,{"$nulls":4},7.8,"22.00 C"]
[33297,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43688","N#C\\C(=C/c1ccc(o1)N1CCOCC1)c1nc2ccccc2[nH]1","InChI=1S/C18H16N4O2/c19-12-13(18-20-15-3-1-2-4-16(15)21-18)11-14-5-6-17(24-14)22-7-9-23-10-8-22/h1-6,11H,7-10H2,(H,20,21)/b13-11+","NLTIXGLRVWLYBW-ACCUITESSA-N",{"$nulls":3},">687.51",null,null,7.8,"22.00 C"]
[33298,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43706","CC(=O)NC(=S)Nc1sc2CCCCCc2c1C#N","InChI=1S/C13H15N3OS2/c1-8(17)15-13(18)16-12-10(7-14)9-5-3-2-4-6-11(9)19-12/h2-6H2,1H3,(H2,15,16,17,18)","WPGXCVNKRVJMDY-UHFFFAOYSA-N",{"$nulls":3},">55690",null,null,7.8,"22.00 C"]
[33299,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43686","CCOC(=O)C(=C\\c1cc(C)n(c1C)-c1ccccc1)\\C#N","InChI=1S/C18H18N2O2/c1-4-22-18(21)16(12-19)11-15-10-13(2)20(14(15)3)17-8-6-5-7-9-17/h5-11H,4H2,1-3H3/b16-11+","IKQDYQGUNZNQGO-LFIBNONCSA-N",{"$nulls":3},3307]
[33300,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43723","Fc1ccccc1N=CCC(=O)c1ccc(Br)cc1","InChI=1S/C15H11BrFNO/c16-12-7-5-11(6-8-12)15(19)9-10-18-14-4-2-1-3-13(14)17/h1-8,10H,9H2","HEAFXLZWNUOLNQ-UHFFFAOYSA-N",{"$nulls":3},">55690"]
[33301,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43697","COc1ccc(cc1)-c1csc(n1)-n1c(O)c[nH]c1=S","InChI=1S/C13H11N3O2S2/c1-18-9-4-2-8(3-5-9)10-7-20-13(15-10)16-11(17)6-14-12(16)19/h2-7,17H,1H3,(H,14,19)","DEDXOELQYHNPFM-UHFFFAOYSA-N",{"$nulls":3},2011]
[33302,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43694","Cc1nnc(SCC(=O)Nc2ccc(cc2)-c2nc3ccccc3s2)s1","InChI=1S/C18H14N4OS3/c1-11-21-22-18(25-11)24-10-16(23)19-13-8-6-12(7-9-13)17-20-14-4-2-3-5-15(14)26-17/h2-9H,10H2,1H3,(H,19,23)","XJLOPESLGPYBCK-UHFFFAOYSA-N",{"$nulls":3},">55690"]
[33303,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50131053","COc1ccc2[nH]c-3c(CCn4c-3nc3ccccc3c4=O)c2c1","InChI=1S/C19H15N3O2/c1-24-11-6-7-16-14(10-11)12-8-9-22-18(17(12)20-16)21-15-5-3-2-4-13(15)19(22)23/h2-7,10,20H,8-9H2,1H3","JNHSRGXMKPJTEV-UHFFFAOYSA-N",{"$nulls":3},"<2.83"]
[33304,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50241990","CC(C)=CC[C@@H](C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)C1=O)C2=O)C(C)=C","InChI=1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h11-12,14,16-17,19,27-28,31,39-40H,7,13,15,18,20-21H2,1-6,8-10H3/t27-,28+,31?,37+,38-/m0/s1","YESGFVCPMZHDNK-FIXRDIOOSA-N",null,null,16900]
[33305,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50448068","CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)C(C(=O)c3ccc(O)c(O)c3)C(=O)[C@]1(CC=C(C)C)C2=O","InChI=1S/C38H50O6/c1-23(2)11-10-18-36(9)28(14-12-24(3)4)22-37(19-16-25(5)6)33(42)31(32(41)27-13-15-29(39)30(40)21-27)34(43)38(36,35(37)44)20-17-26(7)8/h11-13,15-17,21,28,31,39-40H,10,14,18-20,22H2,1-9H3/t28-,31?,36+,37+,38-/m1/s1","LWCXCCIEYYYTNE-MNPAYMIJSA-N",null,null,20600]
[33306,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50448069","CC(C)=CCC\\C(C)=C\\C[C@@]12C[C@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)C1=O)C2=O","InChI=1S/C38H50O6/c1-23(2)11-10-12-26(7)18-19-37-22-28(15-13-24(3)4)36(8,9)38(35(37)44,20-17-25(5)6)34(43)31(33(37)42)32(41)27-14-16-29(39)30(40)21-27/h11,13-14,16-18,21,28,31,39-40H,10,12,15,19-20,22H2,1-9H3/b26-18+/t28-,31?,37+,38-/m0/s1","HHUFEKGQWSKIQJ-LLCXBDAVSA-N",null,null,4670]
[33307,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50070942","Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1","InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1","WMBWREPUVVBILR-WIYYLYMNSA-N",null,null,700]
[33308,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50514302","NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C[C@H](NC(=O)c3cc4cc(ccc4[nH]3)C(F)(F)P(O)(O)=O)C(=O)N12)C(=O)CCCCCC#Cc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O)C(=O)NC(c1ccccc1)c1ccccc1","InChI=1S/C59H62F2N9O12P/c60-59(61,83(80,81)82)39-21-23-43-38(31-39)32-45(63-43)54(75)65-46-34-68(51(73)20-11-3-1-2-6-13-35-18-12-19-41-42(35)33-69(57(41)78)47-26-28-50(72)66-55(47)76)30-29-40-22-25-48(70(40)58(46)79)56(77)64-44(24-27-49(62)71)53(74)67-52(36-14-7-4-8-15-36)37-16-9-5-10-17-37/h4-5,7-10,12,14-19,21,23,31-32,40,44,46-48,52,63H,1-3,11,20,22,24-30,33-34H2,(H2,62,71)(H,64,77)(H,65,75)(H,67,74)(H,66,72,76)(H2,80,81,82)/t40-,44+,46+,47?,48+/m1/s1","JKCSCHXVWPSGBG-OPKPGBGESA-N",null,null,1000]
[33309,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50557878","NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C[C@H](NC(=O)c3cc4cc(ccc4[nH]3)C(=O)P(O)(O)=O)C(=O)N12)C(=O)CCCCCC#Cc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O)C(=O)NC(c1ccccc1)c1ccccc1",{"$nulls":4},">10.0"]
[33310,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43602","C(NC1CCCCCC1)c1c[nH]c2ccccc12","InChI=1S/C16H22N2/c1-2-4-8-14(7-3-1)17-11-13-12-18-16-10-6-5-9-15(13)16/h5-6,9-10,12,14,17-18H,1-4,7-8,11H2","IUQFASBFPJNXNL-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33311,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43603","CCOc1ccccc1-c1nnc(S)o1","InChI=1S/C10H10N2O2S/c1-2-13-8-6-4-3-5-7(8)9-11-12-10(15)14-9/h3-6H,2H2,1H3,(H,12,15)","VTXLLACKNPVAJW-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33312,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43604","COc1cc(NC(=O)c2cc(on2)C2CC2)c(OC)cc1Cl","InChI=1S/C15H15ClN2O4/c1-20-13-6-10(14(21-2)5-9(13)16)17-15(19)11-7-12(22-18-11)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,17,19)","FMWABCRYNLCXOJ-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33313,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM40201","COc1cccc2sc(Nc3nnc(o3)-c3ccc(F)cc3)nc12","InChI=1S/C16H11FN4O2S/c1-22-11-3-2-4-12-13(11)18-16(24-12)19-15-21-20-14(23-15)9-5-7-10(17)8-6-9/h2-8H,1H3,(H,18,19,21)","TUNSTYGNRZSNSX-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33314,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43605","CC(OC(=O)c1cccnc1SCc1cc(=O)n2ccccc2n1)c1ccccn1","InChI=1S/C22H18N4O3S/c1-15(18-8-2-4-10-23-18)29-22(28)17-7-6-11-24-21(17)30-14-16-13-20(27)26-12-5-3-9-19(26)25-16/h2-13,15H,14H2,1H3","RAMFRUQUUHYKGX-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33315,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43606","Clc1ccccc1-c1nnc(NC(=O)c2nc3ccccc3s2)o1","InChI=1S/C16H9ClN4O2S/c17-10-6-2-1-5-9(10)14-20-21-16(23-14)19-13(22)15-18-11-7-3-4-8-12(11)24-15/h1-8H,(H,19,21,22)","GBIIBNOFRIZKOG-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33316,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43607","COc1ccc(Br)cc1C(=O)Nc1cccc(C)c1","InChI=1S/C15H14BrNO2/c1-10-4-3-5-12(8-10)17-15(18)13-9-11(16)6-7-14(13)19-2/h3-9H,1-2H3,(H,17,18)","BNFHUDLXTLRZHV-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33317,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43608","Cc1ccc(CC(=O)Nc2nc3CCCCc3s2)cc1","InChI=1S/C16H18N2OS/c1-11-6-8-12(9-7-11)10-15(19)18-16-17-13-4-2-3-5-14(13)20-16/h6-9H,2-5,10H2,1H3,(H,17,18,19)","WBZPPDQAVAACQN-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33318,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43609","O=C(CN1CCNCC1)Nc1ccc(Oc2ccccc2)cc1","InChI=1S/C18H21N3O2/c22-18(14-21-12-10-19-11-13-21)20-15-6-8-17(9-7-15)23-16-4-2-1-3-5-16/h1-9,19H,10-14H2,(H,20,22)","PGPASFGJCYIOTC-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33319,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43610","CN(C)C(=O)COC(=O)\\C=C\\c1ccccc1[N+]([O-])=O","InChI=1S/C13H14N2O5/c1-14(2)12(16)9-20-13(17)8-7-10-5-3-4-6-11(10)15(18)19/h3-8H,9H2,1-2H3/b8-7+","IKKAYIKGZXHVEP-BQYQJAHWSA-N",{"$nulls":3},">55700"]
[33320,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43611","Cc1nnc(NC(=O)c2oc3c(ccc4ccccc34)c2C)s1","InChI=1S/C17H13N3O2S/c1-9-12-8-7-11-5-3-4-6-13(11)15(12)22-14(9)16(21)18-17-20-19-10(2)23-17/h3-8H,1-2H3,(H,18,20,21)","ALHMAOFLZSVAGD-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33321,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43612","Cc1nc2c(C(=O)c3ccccc3C2=O)n1C1CCCCC1","InChI=1S/C18H18N2O2/c1-11-19-15-16(20(11)12-7-3-2-4-8-12)18(22)14-10-6-5-9-13(14)17(15)21/h5-6,9-10,12H,2-4,7-8H2,1H3","QLVBDHJSLPKORV-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33322,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43021","COC(=O)c1sccc1NC(=O)c1ccc(Br)s1","InChI=1S/C11H8BrNO3S2/c1-16-11(15)9-6(4-5-17-9)13-10(14)7-2-3-8(12)18-7/h2-5H,1H3,(H,13,14)","LUQHYSXMPGKDPT-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33323,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43613","Cc1cc(-c2ccc(Cl)cc2)c(C#N)c(N)n1","InChI=1S/C13H10ClN3/c1-8-6-11(12(7-15)13(16)17-8)9-2-4-10(14)5-3-9/h2-6H,1H3,(H2,16,17)","OIADGIDTZVRINS-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33324,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43614","CCCN(CCC)C(=O)Cn1c2ccccc2c2nc(=O)cc(C)n12","InChI=1S/C19H24N4O2/c1-4-10-21(11-5-2)18(25)13-22-16-9-7-6-8-15(16)19-20-17(24)12-14(3)23(19)22/h6-9,12H,4-5,10-11,13H2,1-3H3","OISRYUZWHSXJLE-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33325,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43615","CCCNC(=O)Cn1c2ccccc2c2nc(=O)cc(C)n12","InChI=1S/C16H18N4O2/c1-3-8-17-15(22)10-19-13-7-5-4-6-12(13)16-18-14(21)9-11(2)20(16)19/h4-7,9H,3,8,10H2,1-2H3,(H,17,22)","XNDUYDDVISQTTM-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33326,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43616","CCC(CC)NC(=O)Cc1ccccc1[N+]([O-])=O","InChI=1S/C13H18N2O3/c1-3-11(4-2)14-13(16)9-10-7-5-6-8-12(10)15(17)18/h5-8,11H,3-4,9H2,1-2H3,(H,14,16)","JGYCENHXKFGXSK-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33327,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43617","O=C(Nc1nc2cccc3cccc([nH]1)c23)c1ccccc1","InChI=1S/C18H13N3O/c22-17(13-6-2-1-3-7-13)21-18-19-14-10-4-8-12-9-5-11-15(20-18)16(12)14/h1-11H,(H2,19,20,21,22)","PJKBIJNPOJPHAR-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33328,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43618","CC(C)CC(=O)NC(=S)Nc1nc(cs1)-c1ccccc1","InChI=1S/C15H17N3OS2/c1-10(2)8-13(19)17-14(20)18-15-16-12(9-21-15)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H2,16,17,18,19,20)","UMLUJZSVOCVBGC-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33329,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43619","CC1=C(C)C(=O)C(=CC1=O)N1CCOCC1","InChI=1S/C12H15NO3/c1-8-9(2)12(15)10(7-11(8)14)13-3-5-16-6-4-13/h7H,3-6H2,1-2H3","RHNBLPLXJVTVBI-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33330,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43620","O=C1Nc2ccccc2\\C1=C(\\C#N)c1nc2ccccc2s1","InChI=1S/C17H9N3OS/c18-9-11(17-20-13-7-3-4-8-14(13)22-17)15-10-5-1-2-6-12(10)19-16(15)21/h1-8H,(H,19,21)/b15-11+","IJOAATFMNIWUIY-RVDMUPIBSA-N",{"$nulls":3},">55700"]
[33331,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43621","CC(=O)N1N=C(OC1(C)CC(=O)Nc1ccccc1)c1ccccc1O","InChI=1S/C19H19N3O4/c1-13(23)22-19(2,12-17(25)20-14-8-4-3-5-9-14)26-18(21-22)15-10-6-7-11-16(15)24/h3-11,24H,12H2,1-2H3,(H,20,25)","GRXLCSNHHPZVSK-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33332,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43622","CN1N=C(CCC1=O)C(=O)N1CCc2c([nH]c3ccccc23)C1c1c(F)cccc1Cl","InChI=1S/C23H20ClFN4O2/c1-28-19(30)10-9-18(27-28)23(31)29-12-11-14-13-5-2-3-8-17(13)26-21(14)22(29)20-15(24)6-4-7-16(20)25/h2-8,22,26H,9-12H2,1H3","OWQTUKBVECSRCH-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33333,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43623","Fc1ccccc1C1N(CCc2c1[nH]c1ccccc21)C(=O)Cc1cnc2ncnn2c1","InChI=1S/C24H19FN6O/c25-19-7-3-1-6-18(19)23-22-17(16-5-2-4-8-20(16)29-22)9-10-30(23)21(32)11-15-12-26-24-27-14-28-31(24)13-15/h1-8,12-14,23,29H,9-11H2","OKGLIGZTZVWJTO-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33334,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43624","[O-][n+]1ccc(cc1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccccc1Cl","InChI=1S/C23H18ClN3O2/c24-19-7-3-1-6-18(19)22-21-17(16-5-2-4-8-20(16)25-21)11-14-27(22)23(28)15-9-12-26(29)13-10-15/h1-10,12-13,22,25H,11,14H2","NXCFDEABUNVVHZ-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33335,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43625","Cc1nonc1CC(=O)N1CCc2c([nH]c3ccccc23)C1c1ccccc1F","InChI=1S/C22H19FN4O2/c1-13-19(26-29-25-13)12-20(28)27-11-10-15-14-6-3-5-9-18(14)24-21(15)22(27)16-7-2-4-8-17(16)23/h2-9,22,24H,10-12H2,1H3","NCPZHRSKFKCQBT-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33336,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43626","CCOc1ccccc1CN1CCN(Cc2cc3ccccc3[nH]2)CC1CCO","InChI=1S/C24H31N3O2/c1-2-29-24-10-6-4-8-20(24)16-27-13-12-26(18-22(27)11-14-28)17-21-15-19-7-3-5-9-23(19)25-21/h3-10,15,22,25,28H,2,11-14,16-18H2,1H3","DZGRLYLKYCPFRS-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33337,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43627","Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=O)NC1=O","InChI=1S/C15H12N4O4/c1-8-10(7-11-12(20)16-15(23)17-13(11)21)14(22)19(18-8)9-5-3-2-4-6-9/h2-7,18H,1H3,(H2,16,17,20,21,23)","BAOYWDFZNQUZNR-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33338,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43628","CC(C)CC1N(CCc2c1[nH]c1ccccc21)C(=O)CCC(=O)N(C)C","InChI=1S/C21H29N3O2/c1-14(2)13-18-21-16(15-7-5-6-8-17(15)22-21)11-12-24(18)20(26)10-9-19(25)23(3)4/h5-8,14,18,22H,9-13H2,1-4H3","SMJVTXAOCGOCSF-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33339,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43629","CCOc1ccccc1C1CC(=NN1S(C)(=O)=O)c1cccs1","InChI=1S/C16H18N2O3S2/c1-3-21-15-8-5-4-7-12(15)14-11-13(16-9-6-10-22-16)17-18(14)23(2,19)20/h4-10,14H,3,11H2,1-2H3","NQQLJNBVMLWXPN-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33340,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43630","CC(=O)NCCC(=O)N1CCc2c([nH]c3ccccc23)C1c1cccc(C)c1","InChI=1S/C23H25N3O2/c1-15-6-5-7-17(14-15)23-22-19(18-8-3-4-9-20(18)25-22)11-13-26(23)21(28)10-12-24-16(2)27/h3-9,14,23,25H,10-13H2,1-2H3,(H,24,27)","OIRWIFYRSKBEKS-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33341,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43631","COCCSc1ccccc1C(=O)NCCc1ccccc1","InChI=1S/C18H21NO2S/c1-21-13-14-22-17-10-6-5-9-16(17)18(20)19-12-11-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,19,20)","HTNNUNHVTBORPU-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33342,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43632","COc1ccccc1C(=O)NNC(=S)Nc1ccccc1","InChI=1S/C15H15N3O2S/c1-20-13-10-6-5-9-12(13)14(19)17-18-15(21)16-11-7-3-2-4-8-11/h2-10H,1H3,(H,17,19)(H2,16,18,21)","XQCTZGFPBCDRSW-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33343,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43633","COC(=O)NNC(=O)c1ccccc1OC","InChI=1S/C10H12N2O4/c1-15-8-6-4-3-5-7(8)9(13)11-12-10(14)16-2/h3-6H,1-2H3,(H,11,13)(H,12,14)","SWAOSNJOBGUYFZ-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33344,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43634","COc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1","InChI=1S/C19H21N3O4/c1-12(2)17(23)20-14-10-8-13(9-11-14)18(24)21-22-19(25)15-6-4-5-7-16(15)26-3/h4-12H,1-3H3,(H,20,23)(H,21,24)(H,22,25)","KFTDCSROKCZGRW-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33345,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43635","O=C(CCc1nnc(Cc2ccc3OCOc3c2)o1)NCc1nc2ccccc2s1","InChI=1S/C21H18N4O4S/c26-18(22-11-21-23-14-3-1-2-4-17(14)30-21)7-8-19-24-25-20(29-19)10-13-5-6-15-16(9-13)28-12-27-15/h1-6,9H,7-8,10-12H2,(H,22,26)","KHMAUIVHFHCFDW-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33346,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43636","COc1ccc(C2N(CCc3c2[nH]c2ccccc32)C(=O)c2ccc(=O)n(C)n2)c(F)c1","InChI=1S/C24H21FN4O3/c1-28-21(30)10-9-20(27-28)24(31)29-12-11-16-15-5-3-4-6-19(15)26-22(16)23(29)17-8-7-14(32-2)13-18(17)25/h3-10,13,23,26H,11-12H2,1-2H3","NWMQZMNBUNZAKF-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33347,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43637","Cc1ccccc1C1N(CCc2c1[nH]c1ccccc21)C(=O)c1ccc(=O)n(C)n1","InChI=1S/C24H22N4O2/c1-15-7-3-4-8-16(15)23-22-18(17-9-5-6-10-19(17)25-22)13-14-28(23)24(30)20-11-12-21(29)27(2)26-20/h3-12,23,25H,13-14H2,1-2H3","UXHLBAUIGULQHR-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33348,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43638","CC(=O)NCCC(=O)N1CCc2c([nH]c3ccccc23)C1c1cccc(Cl)c1","InChI=1S/C22H22ClN3O2/c1-14(27)24-11-9-20(28)26-12-10-18-17-7-2-3-8-19(17)25-21(18)22(26)15-5-4-6-16(23)13-15/h2-8,13,22,25H,9-12H2,1H3,(H,24,27)","CSFZGMRLKJZHPJ-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33349,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43639","CCOc1ccc(CN2CCN(Cc3cc4ccccc4[nH]3)CC2CCO)cc1","InChI=1S/C24H31N3O2/c1-2-29-23-9-7-19(8-10-23)16-27-13-12-26(18-22(27)11-14-28)17-21-15-20-5-3-4-6-24(20)25-21/h3-10,15,22,25,28H,2,11-14,16-18H2,1H3","HYVUSMHYYSUJIS-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33350,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43640","COc1ccc(C2N(CCc3c2[nH]c2ccccc32)C(=O)c2cc3ncccn3n2)c(F)c1","InChI=1S/C25H20FN5O2/c1-33-15-7-8-18(19(26)13-15)24-23-17(16-5-2-3-6-20(16)28-23)9-12-30(24)25(32)21-14-22-27-10-4-11-31(22)29-21/h2-8,10-11,13-14,24,28H,9,12H2,1H3","ZHAHLWWSJCREDB-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33351,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43641","Clc1cccc(c1)C1N(CCc2c1[nH]c1ccccc21)C(=O)CCN1CCOCC1","InChI=1S/C24H26ClN3O2/c25-18-5-3-4-17(16-18)24-23-20(19-6-1-2-7-21(19)26-23)8-11-28(24)22(29)9-10-27-12-14-30-15-13-27/h1-7,16,24,26H,8-15H2","CIWDYMHOQXSHQT-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33352,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43642","CCOC(=O)C1(CC2CCCCO2)CCN(Cc2cc3ccccc3[nH]2)CC1","InChI=1S/C23H32N2O3/c1-2-27-22(26)23(16-20-8-5-6-14-28-20)10-12-25(13-11-23)17-19-15-18-7-3-4-9-21(18)24-19/h3-4,7,9,15,20,24H,2,5-6,8,10-14,16-17H2,1H3","GFOQPIMADNTODH-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33353,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43643","COCCNC(=O)C(=O)NNC(=O)c1ccccc1OC","InChI=1S/C13H17N3O5/c1-20-8-7-14-12(18)13(19)16-15-11(17)9-5-3-4-6-10(9)21-2/h3-6H,7-8H2,1-2H3,(H,14,18)(H,15,17)(H,16,19)","CWHSVOUFCFSKDU-UHFFFAOYSA-N",{"$nulls":3},">55700"]
[33354,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Myosin-2","Homo sapiens","BDBM50449476","O[C@@]12CCN(C1=Nc1cc(ccc1C2=O)[N+]([O-])=O)c1ccccc1","InChI=1S/C17H13N3O4/c21-15-13-7-6-12(20(23)24)10-14(13)18-16-17(15,22)8-9-19(16)11-4-2-1-3-5-11/h1-7,10,22H,8-9H2/t17-/m1/s1","VIMYHNYWFMRDKQ-QGZVFWFLSA-N",null,28000]
[33355,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50219490","OC(=O)c1cc(cc(Br)c1O)-c1ccccc1","InChI=1S/C13H9BrO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17)","XVZSXNULHSIRCQ-UHFFFAOYSA-N",18200]
[33356,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM26269","OC(=O)c1cc(Cl)cc(Cl)c1O","InChI=1S/C7H4Cl2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)","CNJGWCQEGROXEE-UHFFFAOYSA-N",24000]
[33357,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396691","CC\\C=C/C[C@@H]1[C@@H](CC(O)=O)CCC1=O","InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1","ZNJFBWYDHIGLCU-HWKXXFMVSA-N",37000]
[33358,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50249792","OC(=O)c1cc(Br)cc(Br)c1O","InChI=1S/C7H4Br2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)","BFBZHSOXKROMBG-UHFFFAOYSA-N",45700,{"$nulls":5},7.4,"25.00 C"]
[33359,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM50427622","CCc1c(CCC(O)=O)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12","InChI=1S/C21H20ClNO4/c1-3-16-17-12-15(27-2)8-9-19(17)23(18(16)10-11-20(24)25)21(26)13-4-6-14(22)7-5-13/h4-9,12H,3,10-11H2,1-2H3,(H,24,25)","JBMSOEFHPCTJTH-UHFFFAOYSA-N",null," 1.95"]
[33360,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM50427624","COc1ccc2n(C(=O)c3ccc(Cl)cc3)c3CCC(Cc3c2c1)C(O)=O","InChI=1S/C21H18ClNO4/c1-27-15-7-9-19-17(11-15)16-10-13(21(25)26)4-8-18(16)23(19)20(24)12-2-5-14(22)6-3-12/h2-3,5-7,9,11,13H,4,8,10H2,1H3,(H,25,26)","QVDWMUNEMKEXNZ-UHFFFAOYSA-N",null," 3.15"]
[33361,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM50427620","COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(CCC(O)=O)c(C)c2c1","InChI=1S/C20H18ClNO4/c1-12-16-11-15(26-2)7-8-18(16)22(17(12)9-10-19(23)24)20(25)13-3-5-14(21)6-4-13/h3-8,11H,9-10H2,1-2H3,(H,23,24)","NDOLIIHMVOZCMD-UHFFFAOYSA-N",null," 3.51"]
[33362,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM50427619","COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(CCC(=O)NS(C)(=O)=O)c(C)c2c1","InChI=1S/C21H21ClN2O5S/c1-13-17-12-16(29-2)8-9-19(17)24(21(26)14-4-6-15(22)7-5-14)18(13)10-11-20(25)23-30(3,27)28/h4-9,12H,10-11H2,1-3H3,(H,23,25)","PLYKGAOPLXCEPT-UHFFFAOYSA-N",null," 12.64"]
[33363,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM50293598","COc1ccc2n(cc(CC(O)=O)c2c1)C(=O)c1ccc(Cl)cc1","InChI=1S/C18H14ClNO4/c1-24-14-6-7-16-15(9-14)12(8-17(21)22)10-20(16)18(23)11-2-4-13(19)5-3-11/h2-7,9-10H,8H2,1H3,(H,21,22)","DHEMTWWLRLOBKI-UHFFFAOYSA-N",null," 48.7"]
[33364,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM50427628","COc1ccc2n(C(=O)c3ccc(CCl)cc3)c(C)c(CC(O)=O)c2c1","InChI=1S/C20H18ClNO4/c1-12-16(10-19(23)24)17-9-15(26-2)7-8-18(17)22(12)20(25)14-5-3-13(11-21)4-6-14/h3-9H,10-11H2,1-2H3,(H,23,24)","RRESDMSNRHUMGC-UHFFFAOYSA-N",null," 49.75"]
[33365,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM50427625","COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CCC(O)=O)c2c1","InChI=1S/C20H18ClNO4/c1-12-16(8-10-19(23)24)17-11-15(26-2)7-9-18(17)22(12)20(25)13-3-5-14(21)6-4-13/h3-7,9,11H,8,10H2,1-2H3,(H,23,24)","ZXFPVIQVVULPBC-UHFFFAOYSA-N",null,">100"]
[33366,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM50427627","COc1ccc2n(C(=O)c3ccc(cc3)C(F)(F)F)c(C)c(CC(O)=O)c2c1","InChI=1S/C20H16F3NO4/c1-11-15(10-18(25)26)16-9-14(28-2)7-8-17(16)24(11)19(27)12-3-5-13(6-4-12)20(21,22)23/h3-9H,10H2,1-2H3,(H,25,26)","WSJYANUXYPFGPR-UHFFFAOYSA-N",null,">100"]
[33367,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM50427626","COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NS(=O)(=O)C(F)(F)F)c2c1","InChI=1S/C20H16ClF3N2O5S/c1-11-15(10-18(27)25-32(29,30)20(22,23)24)16-9-14(31-2)7-8-17(16)26(11)19(28)12-3-5-13(21)6-4-12/h3-9H,10H2,1-2H3,(H,25,27)","IXPHIGAYXJJXNY-UHFFFAOYSA-N",null,">100"]
[33368,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM50427621","COc1ccc2n(cc(CC(=O)NS(=O)(=O)C(F)(F)F)c2c1)C(=O)c1ccc(Cl)cc1","InChI=1S/C19H14ClF3N2O5S/c1-30-14-6-7-16-15(9-14)12(8-17(26)24-31(28,29)19(21,22)23)10-25(16)18(27)11-2-4-13(20)5-3-11/h2-7,9-10H,8H2,1H3,(H,24,26)","LOPOBSJDASSEKN-UHFFFAOYSA-N",null,">100"]
[33369,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM50427629","COc1ccc2n(C(=O)c3ccc(C)cc3)c(C)c(CC(O)=O)c2c1","InChI=1S/C20H19NO4/c1-12-4-6-14(7-5-12)20(24)21-13(2)16(11-19(22)23)17-10-15(25-3)8-9-18(17)21/h4-10H,11H2,1-3H3,(H,22,23)","ASIGZZOVSCNZDW-UHFFFAOYSA-N",null,">100"]
[33370,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50241828","Oc1ccc2cc(C(=O)NCCCc3ccc(F)cc3)c(=O)oc2c1","InChI=1S/C19H16FNO4/c20-14-6-3-12(4-7-14)2-1-9-21-18(23)16-10-13-5-8-15(22)11-17(13)25-19(16)24/h3-8,10-11,22H,1-2,9H2,(H,21,23)","YNGXWVIJSUJZSG-UHFFFAOYSA-N",null,350]
[33371,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50241817","Oc1ccc(CCCNC(=O)c2cc3ccc(O)cc3oc2=O)cc1","InChI=1S/C19H17NO5/c21-14-6-3-12(4-7-14)2-1-9-20-18(23)16-10-13-5-8-15(22)11-17(13)25-19(16)24/h3-8,10-11,21-22H,1-2,9H2,(H,20,23)","IRTLXYIOFBGNOF-UHFFFAOYSA-N",null,820]
[33372,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50427622","CCc1c(CCC(O)=O)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12","InChI=1S/C21H20ClNO4/c1-3-16-17-12-15(27-2)8-9-19(17)23(18(16)10-11-20(24)25)21(26)13-4-6-14(22)7-5-13/h4-9,12H,3,10-11H2,1-2H3,(H,24,25)","JBMSOEFHPCTJTH-UHFFFAOYSA-N",null,1950]
[33373,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50029207","Oc1ccc(\\C=C\\C(=O)OCCc2ccccc2)cc1O","InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+","SWUARLUWKZWEBQ-VQHVLOKHSA-N",null,2300]
[33374,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396689","OC(=O)[C@H]1CCCN(C1)S(=O)(=O)c1ccc2ccccc2c1","InChI=1S/C16H17NO4S/c18-16(19)14-6-3-9-17(11-14)22(20,21)15-8-7-12-4-1-2-5-13(12)10-15/h1-2,4-5,7-8,10,14H,3,6,9,11H2,(H,18,19)/t14-/m0/s1","KTQWWYGLWQVHDM-AWEZNQCLSA-N",null,">3000"]
[33375,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50427624","COc1ccc2n(C(=O)c3ccc(Cl)cc3)c3CCC(Cc3c2c1)C(O)=O","InChI=1S/C21H18ClNO4/c1-27-15-7-9-19-17(11-15)16-10-13(21(25)26)4-8-18(16)23(19)20(24)12-2-5-14(22)6-3-12/h2-3,5-7,9,11,13H,4,8,10H2,1H3,(H,25,26)","QVDWMUNEMKEXNZ-UHFFFAOYSA-N",null,3150]
[33376,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50427620","COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(CCC(O)=O)c(C)c2c1","InChI=1S/C20H18ClNO4/c1-12-16-11-15(26-2)7-8-18(16)22(17(12)9-10-19(23)24)20(25)13-3-5-14(21)6-4-13/h3-8,11H,9-10H2,1-2H3,(H,23,24)","NDOLIIHMVOZCMD-UHFFFAOYSA-N",null,3510]
[33377,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50240376","CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1","InChI=1S/C15H22O5/c1-2-3-4-5-6-7-8-20-15(19)11-9-12(16)14(18)13(17)10-11/h9-10,16-18H,2-8H2,1H3","NRPKURNSADTHLJ-UHFFFAOYSA-N",null,4040]
[33378,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50546234","OC(=O)c1cccc(Nc2ccc([N+]([O-])=O)c3c(cccc23)[N+]([O-])=O)c1","InChI=1S/C17H11N3O6/c21-17(22)10-3-1-4-11(9-10)18-13-7-8-15(20(25)26)16-12(13)5-2-6-14(16)19(23)24/h1-9,18H,(H,21,22)","DEBLYSMOATYNAJ-UHFFFAOYSA-N",null,5340]
[33379,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM220123","OC(=O)c1ccccc1Nc1cc(ccc1N(=O)=O)C(F)(F)F","InChI=1S/C14H9F3N2O4/c15-14(16,17)8-5-6-12(19(22)23)11(7-8)18-10-4-2-1-3-9(10)13(20)21/h1-7,18H,(H,20,21)","FZAWUOZTOMHTKK-UHFFFAOYSA-N",null,5500]
[33380,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50385687","OC(=O)c1cccc(Nc2ccc(cc2[N+]([O-])=O)C(F)(F)F)c1","InChI=1S/C14H9F3N2O4/c15-14(16,17)9-4-5-11(12(7-9)19(22)23)18-10-3-1-2-8(6-10)13(20)21/h1-7,18H,(H,20,21)","ITCTUKOBYWLACJ-UHFFFAOYSA-N",null,5500]
[33381,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50382163","OC(=O)c1cccc(Nc2ccc([N+]([O-])=O)c3ccccc23)c1","InChI=1S/C17H12N2O4/c20-17(21)11-4-3-5-12(10-11)18-15-8-9-16(19(22)23)14-7-2-1-6-13(14)15/h1-10,18H,(H,20,21)","ZLIDMWNTWSBTSM-UHFFFAOYSA-N",null,8170]
[33382,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM220115","COC(=O)c1cccc(Nc2ccc([N+]([O-])=O)c3ccccc23)c1","InChI=1S/C18H14N2O4/c1-24-18(21)12-5-4-6-13(11-12)19-16-9-10-17(20(22)23)15-8-3-2-7-14(15)16/h2-11,19H,1H3","SGARVXGRHFGJTH-UHFFFAOYSA-N",null,8170]
[33383,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50029207","Oc1ccc(\\C=C\\C(=O)OCCc2ccccc2)cc1O","InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+","SWUARLUWKZWEBQ-VQHVLOKHSA-N",null,8250]
[33384,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396647","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccc(cc2C1)-c1nnn[nH]1","InChI=1S/C17H15N5O4S/c23-17(24)13-2-1-3-15(9-13)27(25,26)22-7-6-11-4-5-12(8-14(11)10-22)16-18-20-21-19-16/h1-5,8-9H,6-7,10H2,(H,23,24)(H,18,19,20,21)","PMSHYANKBLXDSH-UHFFFAOYSA-N",null,9810]
[33385,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50543402","Oc1cccc2cc(C(=O)Nc3cccc(F)c3)c(=N)oc12","InChI=1S/C16H11FN2O3/c17-10-4-2-5-11(8-10)19-16(21)12-7-9-3-1-6-13(20)14(9)22-15(12)18/h1-8,18,20H,(H,19,21)","SSZMTVBOJMKJFN-UHFFFAOYSA-N",null,">10000"]
[33386,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50543400","Oc1cccc2cc(C(=O)Nc3ccccc3Cl)c(=N)oc12","InChI=1S/C16H11ClN2O3/c17-11-5-1-2-6-12(11)19-16(21)10-8-9-4-3-7-13(20)14(9)22-15(10)18/h1-8,18,20H,(H,19,21)","LMSWVJGSEXBYNG-UHFFFAOYSA-N",null,">10000"]
[33387,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50543405","Oc1cccc2cc(C(=O)Nc3cccc(Cl)c3)c(=N)oc12","InChI=1S/C16H11ClN2O3/c17-10-4-2-5-11(8-10)19-16(21)12-7-9-3-1-6-13(20)14(9)22-15(12)18/h1-8,18,20H,(H,19,21)","XWVIZUMXGDTWIQ-UHFFFAOYSA-N",null,">10000"]
[33388,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50543399","Cc1ccc(NC(=O)c2cc3cccc(O)c3oc2=N)cc1","InChI=1S/C17H14N2O3/c1-10-5-7-12(8-6-10)19-17(21)13-9-11-3-2-4-14(20)15(11)22-16(13)18/h2-9,18,20H,1H3,(H,19,21)","SKZQOFVKMNLPBF-UHFFFAOYSA-N",null,">10000"]
[33389,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50543401","Oc1cccc2cc(C(=O)Nc3ccc(F)cc3)c(=N)oc12","InChI=1S/C16H11FN2O3/c17-10-4-6-11(7-5-10)19-16(21)12-8-9-2-1-3-13(20)14(9)22-15(12)18/h1-8,18,20H,(H,19,21)","QCQCGUXVKSMDJY-UHFFFAOYSA-N",null,">10000"]
[33390,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50543404","Oc1cccc2cc(C(=O)Nc3ccccc3C(F)(F)F)c(=N)oc12","InChI=1S/C17H11F3N2O3/c18-17(19,20)11-5-1-2-6-12(11)22-16(24)10-8-9-4-3-7-13(23)14(9)25-15(10)21/h1-8,21,23H,(H,22,24)","CNJDAVIXUMTMCU-UHFFFAOYSA-N",null,">10000"]
[33391,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50543397","CCc1cccc(NC(=O)c2cc3cccc(O)c3oc2=N)c1","InChI=1S/C18H16N2O3/c1-2-11-5-3-7-13(9-11)20-18(22)14-10-12-6-4-8-15(21)16(12)23-17(14)19/h3-10,19,21H,2H2,1H3,(H,20,22)","KJSIIAIZHJYKDK-UHFFFAOYSA-N",null,">10000"]
[33392,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50427619","COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(CCC(=O)NS(C)(=O)=O)c(C)c2c1","InChI=1S/C21H21ClN2O5S/c1-13-17-12-16(29-2)8-9-19(17)24(21(26)14-4-6-15(22)7-5-14)18(13)10-11-20(25)23-30(3,27)28/h4-9,12H,10-11H2,1-3H3,(H,23,25)","PLYKGAOPLXCEPT-UHFFFAOYSA-N",null,12640]
[33393,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50509728","CC(C)=CCc1cc(\\C=C\\C(O)=O)cc(c1)C(=O)OCCc1ccccc1","InChI=1S/C23H24O4/c1-17(2)8-9-19-14-20(10-11-22(24)25)16-21(15-19)23(26)27-13-12-18-6-4-3-5-7-18/h3-8,10-11,14-16H,9,12-13H2,1-2H3,(H,24,25)/b11-10+","KXRLYTUEAMHMJD-ZHACJKMWSA-N",null,15000]
[33394,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50546235","CC(=O)c1ccc(Nc2cccc(c2)C(O)=O)c2ccccc12","InChI=1S/C19H15NO3/c1-12(21)15-9-10-18(17-8-3-2-7-16(15)17)20-14-6-4-5-13(11-14)19(22)23/h2-11,20H,1H3,(H,22,23)","WTVWFZNHZAQDRY-UHFFFAOYSA-N",null,17700]
[33395,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50024764","OC(=O)\\C=C\\c1ccc(OC(=O)CCc2ccccc2)c(OCc2cccc(O)c2)c1","InChI=1S/C25H22O6/c26-21-8-4-7-20(15-21)17-30-23-16-19(10-13-24(27)28)9-12-22(23)31-25(29)14-11-18-5-2-1-3-6-18/h1-10,12-13,15-16,26H,11,14,17H2,(H,27,28)/b13-10+","SXIZMFKIVGGUSY-JLHYYAGUSA-N",null,20000]
[33396,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50390657","OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(O)c1","InChI=1S/C14H10ClNO4/c15-9-4-5-12(11(7-9)14(19)20)16-13(18)8-2-1-3-10(17)6-8/h1-7,17H,(H,16,18)(H,19,20)","QRGCIJVRPSXXNA-UHFFFAOYSA-N",null,20100]
[33397,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50385688","COc1ccc(Nc2cccc(c2)C(O)=O)c(c1)[N+]([O-])=O","InChI=1S/C14H12N2O5/c1-21-11-5-6-12(13(8-11)16(19)20)15-10-4-2-3-9(7-10)14(17)18/h2-8,15H,1H3,(H,17,18)","ZUDZDQKQVGCTJF-UHFFFAOYSA-N",null,20400]
[33398,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM220124","COc1ccc(c(Nc2ccccc2C(O)=O)c1)N(=O)=O","InChI=1S/C14H12N2O5/c1-21-9-6-7-13(16(19)20)12(8-9)15-11-5-3-2-4-10(11)14(17)18/h2-8,15H,1H3,(H,17,18)","WAXURAGLQIGKCE-UHFFFAOYSA-N",null,20400]
[33399,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50384946","CC(C)=CCc1cc(\\C=C\\C(O)=O)ccc1OC(=O)CCc1ccccc1","InChI=1S/C23H24O4/c1-17(2)8-12-20-16-19(10-14-22(24)25)9-13-21(20)27-23(26)15-11-18-6-4-3-5-7-18/h3-10,13-14,16H,11-12,15H2,1-2H3,(H,24,25)/b14-10+","BJIVLGIZOMJQRT-GXDHUFHOSA-N",null,21000]
[33400,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM50337282","CC(=O)c1ccc(Nc2cccc(c2)C(O)=O)cc1","InChI=1S/C15H13NO3/c1-10(17)11-5-7-13(8-6-11)16-14-4-2-3-12(9-14)15(18)19/h2-9,16H,1H3,(H,18,19)","WVJCBUXADPESMP-UHFFFAOYSA-N",null,25700]
[33401,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50337282","CC(=O)c1ccc(Nc2cccc(c2)C(O)=O)cc1","InChI=1S/C15H13NO3/c1-10(17)11-5-7-13(8-6-11)16-14-4-2-3-12(9-14)15(18)19/h2-9,16H,1H3,(H,18,19)","WVJCBUXADPESMP-UHFFFAOYSA-N",null,25700]
[33402,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50385686","CC(=O)c1ccc(Nc2cccc(c2)C(O)=O)c(c1)C(O)=O","InChI=1S/C16H13NO5/c1-9(18)10-5-6-14(13(8-10)16(21)22)17-12-4-2-3-11(7-12)15(19)20/h2-8,17H,1H3,(H,19,20)(H,21,22)","FUMRJGBEMSCDNN-UHFFFAOYSA-N",null,28700]
[33403,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM220122","CC(=O)c1ccc(C(O)=O)c(Nc2ccccc2C(O)=O)c1","InChI=1S/C16H13NO5/c1-9(18)10-6-7-12(16(21)22)14(8-10)17-13-5-3-2-4-11(13)15(19)20/h2-8,17H,1H3,(H,19,20)(H,21,22)","VNDSZOSZZSPPFX-UHFFFAOYSA-N",null,28700]
[33404,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50430719","C[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)N1CCCC1=O","InChI=1S/C16H22N2O3S/c1-13-5-2-3-12-18(13)22(20,21)15-9-7-14(8-10-15)17-11-4-6-16(17)19/h7-10,13H,2-6,11-12H2,1H3/t13-/m1/s1","KCSTYGPHSVKBQP-CYBMUJFWSA-N",null,">30000"]
[33405,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50430722","O=C1CCCN1c1ccc(cc1)S(=O)(=O)N1CCCCC1","InChI=1S/C15H20N2O3S/c18-15-5-4-12-17(15)13-6-8-14(9-7-13)21(19,20)16-10-2-1-3-11-16/h6-9H,1-5,10-12H2","MHPNPLGXASZSRU-UHFFFAOYSA-N",null,">30000"]
[33406,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396700","O=C1CCCN1c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1","InChI=1S/C19H20N2O3S/c22-19-6-3-12-21(19)17-7-9-18(10-8-17)25(23,24)20-13-11-15-4-1-2-5-16(15)14-20/h1-2,4-5,7-10H,3,6,11-14H2","QTXMWXSORYCFRR-UHFFFAOYSA-N",null,">30000"]
[33407,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396651","COc1ccc2CN(CCc2c1)S(=O)(=O)c1cccc(c1)C(O)=O","InChI=1S/C17H17NO5S/c1-23-15-6-5-14-11-18(8-7-12(14)9-15)24(21,22)16-4-2-3-13(10-16)17(19)20/h2-6,9-10H,7-8,11H2,1H3,(H,19,20)","QXYNHFCAMSCLRI-UHFFFAOYSA-N",null,">30000"]
[33408,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396652","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2cc(O)ccc2C1","InChI=1S/C16H15NO5S/c18-14-5-4-13-10-17(7-6-11(13)8-14)23(21,22)15-3-1-2-12(9-15)16(19)20/h1-5,8-9,18H,6-7,10H2,(H,19,20)","FNXKARXXKSABIW-UHFFFAOYSA-N",null,">30000"]
[33409,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396720","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2cc(I)ccc2C1","InChI=1S/C16H14INO4S/c17-14-5-4-13-10-18(7-6-11(13)8-14)23(21,22)15-3-1-2-12(9-15)16(19)20/h1-5,8-9H,6-7,10H2,(H,19,20)","VVGCNTZPXJTVSF-UHFFFAOYSA-N",null,">30000"]
[33410,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396653","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2cc(Br)ccc2C1","InChI=1S/C16H14BrNO4S/c17-14-5-4-13-10-18(7-6-11(13)8-14)23(21,22)15-3-1-2-12(9-15)16(19)20/h1-5,8-9H,6-7,10H2,(H,19,20)","VLSLBKYXQMFSIT-UHFFFAOYSA-N",null,">30000"]
[33411,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396695","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2cc(Cl)ccc2C1","InChI=1S/C16H14ClNO4S/c17-14-5-4-13-10-18(7-6-11(13)8-14)23(21,22)15-3-1-2-12(9-15)16(19)20/h1-5,8-9H,6-7,10H2,(H,19,20)","JCJYYFVNWSPXEZ-UHFFFAOYSA-N",null,">30000"]
[33412,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396721","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2cc(ccc2C1)C#N","InChI=1S/C17H14N2O4S/c18-10-12-4-5-15-11-19(7-6-13(15)8-12)24(22,23)16-3-1-2-14(9-16)17(20)21/h1-5,8-9H,6-7,11H2,(H,20,21)","GJAJUPMKLWMKNY-UHFFFAOYSA-N",null,">30000"]
[33413,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396654","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2cc(ccc2C1)[N+]([O-])=O","InChI=1S/C16H14N2O6S/c19-16(20)12-2-1-3-15(9-12)25(23,24)17-7-6-11-8-14(18(21)22)5-4-13(11)10-17/h1-5,8-9H,6-7,10H2,(H,19,20)","NTTNACNLPVGXMR-UHFFFAOYSA-N",null,">30000"]
[33414,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396655","Cc1ccc2CN(CCc2c1)S(=O)(=O)c1cccc(c1)C(O)=O","InChI=1S/C17H17NO4S/c1-12-5-6-15-11-18(8-7-13(15)9-12)23(21,22)16-4-2-3-14(10-16)17(19)20/h2-6,9-10H,7-8,11H2,1H3,(H,19,20)","XGMKWMWAALBPET-UHFFFAOYSA-N",null,">30000"]
[33415,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396656","COc1cccc2CN(CCc12)S(=O)(=O)c1cccc(c1)C(O)=O","InChI=1S/C17H17NO5S/c1-23-16-7-3-5-13-11-18(9-8-15(13)16)24(21,22)14-6-2-4-12(10-14)17(19)20/h2-7,10H,8-9,11H2,1H3,(H,19,20)","ORSYJEKDECAYQC-UHFFFAOYSA-N",null,">30000"]
[33416,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396722","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(O)cccc2C1","InChI=1S/C16H15NO5S/c18-15-6-2-4-12-10-17(8-7-14(12)15)23(21,22)13-5-1-3-11(9-13)16(19)20/h1-6,9,18H,7-8,10H2,(H,19,20)","RXLZVQRNJUENPZ-UHFFFAOYSA-N",null,">30000"]
[33417,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396657","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(I)cccc2C1","InChI=1S/C16H14INO4S/c17-15-6-2-4-12-10-18(8-7-14(12)15)23(21,22)13-5-1-3-11(9-13)16(19)20/h1-6,9H,7-8,10H2,(H,19,20)","OEKBWMJPWMLWLJ-UHFFFAOYSA-N",null,">30000"]
[33418,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396658","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(Br)cccc2C1","InChI=1S/C16H14BrNO4S/c17-15-6-2-4-12-10-18(8-7-14(12)15)23(21,22)13-5-1-3-11(9-13)16(19)20/h1-6,9H,7-8,10H2,(H,19,20)","GHUHBNQRTOWWLV-UHFFFAOYSA-N",null,">30000"]
[33419,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396659","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(Cl)cccc2C1","InChI=1S/C16H14ClNO4S/c17-15-6-2-4-12-10-18(8-7-14(12)15)23(21,22)13-5-1-3-11(9-13)16(19)20/h1-6,9H,7-8,10H2,(H,19,20)","IKXGOFABXDUNCY-UHFFFAOYSA-N",null,">30000"]
[33420,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396694","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(C1)cccc2[N+]([O-])=O","InChI=1S/C16H14N2O6S/c19-16(20)11-3-1-5-13(9-11)25(23,24)17-8-7-14-12(10-17)4-2-6-15(14)18(21)22/h1-6,9H,7-8,10H2,(H,19,20)","IOTOOJICGWWGKH-UHFFFAOYSA-N",null,">30000"]
[33421,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396660","Nc1cccc2CN(CCc12)S(=O)(=O)c1cccc(c1)C(O)=O","InChI=1S/C16H16N2O4S/c17-15-6-2-4-12-10-18(8-7-14(12)15)23(21,22)13-5-1-3-11(9-13)16(19)20/h1-6,9H,7-8,10,17H2,(H,19,20)","HYDXTZXGTGSLPV-UHFFFAOYSA-N",null,">30000"]
[33422,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396661","CC1Cc2ccccc2CN1S(=O)(=O)c1cccc(c1)C(O)=O","InChI=1S/C17H17NO4S/c1-12-9-13-5-2-3-6-15(13)11-18(12)23(21,22)16-8-4-7-14(10-16)17(19)20/h2-8,10,12H,9,11H2,1H3,(H,19,20)","YCPLKHBZPBTFQE-UHFFFAOYSA-N",null,">30000"]
[33423,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396662","CC1N(CCc2ccccc12)S(=O)(=O)c1cccc(c1)C(O)=O","InChI=1S/C17H17NO4S/c1-12-16-8-3-2-5-13(16)9-10-18(12)23(21,22)15-7-4-6-14(11-15)17(19)20/h2-8,11-12H,9-10H2,1H3,(H,19,20)","CKYDHLILOOYRDF-UHFFFAOYSA-N",null,">30000"]
[33424,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396698","OC(=O)c1ccn(n1)S(=O)(=O)c1ccc2ccccc2c1","InChI=1S/C14H10N2O4S/c17-14(18)13-7-8-16(15-13)21(19,20)12-6-5-10-3-1-2-4-11(10)9-12/h1-9H,(H,17,18)","FPDIRYSVRRMUAV-UHFFFAOYSA-N",null,">30000"]
[33425,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396699","OC(=O)C1CCN(C1)S(=O)(=O)c1ccc2ccccc2c1","InChI=1S/C15H15NO4S/c17-15(18)13-7-8-16(10-13)21(19,20)14-6-5-11-3-1-2-4-12(11)9-14/h1-6,9,13H,7-8,10H2,(H,17,18)","PSGCTJNLVUTDIM-UHFFFAOYSA-N",null,">30000"]
[33426,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50445996","Clc1ccc(cc1)N1CC2CC1CN2C(=O)N1CCOCC1","InChI=1S/C16H20ClN3O2/c17-12-1-3-13(4-2-12)19-10-15-9-14(19)11-20(15)16(21)18-5-7-22-8-6-18/h1-4,14-15H,5-11H2","XJKIQOQEOXVDDW-UHFFFAOYSA-N",null,">30000"]
[33427,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50445994","Clc1ccc(cc1)N1CCN(CC1)C(=O)N1CCc2ccccc2C1","InChI=1S/C20H22ClN3O/c21-18-5-7-19(8-6-18)22-11-13-23(14-12-22)20(25)24-10-9-16-3-1-2-4-17(16)15-24/h1-8H,9-15H2","KYIPVVYLFPHRLX-UHFFFAOYSA-N",null,">30000"]
[33428,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50445995","OCC(=O)N1CCN(CC1)C(=O)N1CCN(CC1)c1ccc(Cl)cc1","InChI=1S/C17H23ClN4O3/c18-14-1-3-15(4-2-14)19-5-9-21(10-6-19)17(25)22-11-7-20(8-12-22)16(24)13-23/h1-4,23H,5-13H2","CSACMNDNRCQWNM-UHFFFAOYSA-N",null,">30000"]
[33429,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50445997","Clc1ccc(cc1)N1CCN(CC1)C(=O)N1CCSCC1","InChI=1S/C15H20ClN3OS/c16-13-1-3-14(4-2-13)17-5-7-18(8-6-17)15(20)19-9-11-21-12-10-19/h1-4H,5-12H2","OXCXCDMSPPIXFG-UHFFFAOYSA-N",null,">30000"]
[33430,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50445998","Clc1ccc(cc1)N1CCN(CC1)C(=O)N1CCCCC1","InChI=1S/C16H22ClN3O/c17-14-4-6-15(7-5-14)18-10-12-20(13-11-18)16(21)19-8-2-1-3-9-19/h4-7H,1-3,8-13H2","SKNKIGYAGQNWSR-UHFFFAOYSA-N",null,">30000"]
[33431,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446021","Clc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)N1CCOCC1","InChI=1S/C16H20ClN3O3/c17-14-3-1-13(2-4-14)15(21)18-5-7-19(8-6-18)16(22)20-9-11-23-12-10-20/h1-4H,5-12H2","DNTQFSARMMKYRS-UHFFFAOYSA-N",null,">30000"]
[33432,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446022","Clc1ccc(CN2CCN(CC2)C(=O)N2CCOCC2)cc1","InChI=1S/C16H22ClN3O2/c17-15-3-1-14(2-4-15)13-18-5-7-19(8-6-18)16(21)20-9-11-22-12-10-20/h1-4H,5-13H2","KCONUSOZXPPQQG-UHFFFAOYSA-N",null,">30000"]
[33433,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446013","Brc1ccc(nc1)N1CCN(CC1)C(=O)N1CCOCC1","InChI=1S/C14H19BrN4O2/c15-12-1-2-13(16-11-12)17-3-5-18(6-4-17)14(20)19-7-9-21-10-8-19/h1-2,11H,3-10H2","GSDQFDQHPRPTMW-UHFFFAOYSA-N",null,">30000"]
[33434,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446023","Clc1ccc(cn1)N1CCN(CC1)C(=O)N1CCOCC1","InChI=1S/C14H19ClN4O2/c15-13-2-1-12(11-16-13)17-3-5-18(6-4-17)14(20)19-7-9-21-10-8-19/h1-2,11H,3-10H2","LZILQUNTXWVUIA-UHFFFAOYSA-N",null,">30000"]
[33435,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446014","OCc1cc(Cl)ccc1N1CCN(CC1)C(=O)N1CCOCC1","InChI=1S/C16H22ClN3O3/c17-14-1-2-15(13(11-14)12-21)18-3-5-19(6-4-18)16(22)20-7-9-23-10-8-20/h1-2,11,21H,3-10,12H2","XRUDJHJTZXXMQB-UHFFFAOYSA-N",null,">30000"]
[33436,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446015","Cc1cc(Cl)ccc1N1CCN(CC1)C(=O)N1CCOCC1","InChI=1S/C16H22ClN3O2/c1-13-12-14(17)2-3-15(13)18-4-6-19(7-5-18)16(21)20-8-10-22-11-9-20/h2-3,12H,4-11H2,1H3","CGWKFJWLQGMJGM-UHFFFAOYSA-N",null,">30000"]
[33437,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446016","Clc1ccc(N2CCN(CC2)C(=O)N2CCOCC2)c(Cl)c1","InChI=1S/C15H19Cl2N3O2/c16-12-1-2-14(13(17)11-12)18-3-5-19(6-4-18)15(21)20-7-9-22-10-8-20/h1-2,11H,3-10H2","ZVSJDUNUGMVNIL-UHFFFAOYSA-N",null,">30000"]
[33438,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446024","[O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)N1CCOCC1","InChI=1S/C15H20N4O4/c20-15(18-9-11-23-12-10-18)17-7-5-16(6-8-17)13-1-3-14(4-2-13)19(21)22/h1-4H,5-12H2","QBXDVYMXHRSGQQ-UHFFFAOYSA-N",null,">30000"]
[33439,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446025","CS(=O)(=O)c1ccc(cc1)N1CCN(CC1)C(=O)N1CCOCC1","InChI=1S/C16H23N3O4S/c1-24(21,22)15-4-2-14(3-5-15)17-6-8-18(9-7-17)16(20)19-10-12-23-13-11-19/h2-5H,6-13H2,1H3","DBPAFWMBSKHHSG-UHFFFAOYSA-N",null,">30000"]
[33440,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446026","COC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)N1CCOCC1","InChI=1S/C17H23N3O4/c1-23-16(21)14-2-4-15(5-3-14)18-6-8-19(9-7-18)17(22)20-10-12-24-13-11-20/h2-5H,6-13H2,1H3","CHHUXYZNFXZAOQ-UHFFFAOYSA-N",null,">30000"]
[33441,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446017","Ic1ccc(cc1)N1CCN(CC1)C(=O)N1CCOCC1","InChI=1S/C15H20IN3O2/c16-13-1-3-14(4-2-13)17-5-7-18(8-6-17)15(20)19-9-11-21-12-10-19/h1-4H,5-12H2","ITUWDETWNLXHDB-UHFFFAOYSA-N",null,">30000"]
[33442,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446018","Brc1ccc(cc1)N1CCN(CC1)C(=O)N1CCOCC1","InChI=1S/C15H20BrN3O2/c16-13-1-3-14(4-2-13)17-5-7-18(8-6-17)15(20)19-9-11-21-12-10-19/h1-4H,5-12H2","ZWNJUVJNMFWDPS-UHFFFAOYSA-N",null,">30000"]
[33443,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446019","Clc1ccc(cc1)N1CCN(CC1)C(=O)N1CCOCC1","InChI=1S/C15H20ClN3O2/c16-13-1-3-14(4-2-13)17-5-7-18(8-6-17)15(20)19-9-11-21-12-10-19/h1-4H,5-12H2","KDSIRFZJOTZBPT-UHFFFAOYSA-N",null,">30000"]
[33444,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446027","Fc1ccc(cc1)N1CCN(CC1)C(=O)N1CCOCC1","InChI=1S/C15H20FN3O2/c16-13-1-3-14(4-2-13)17-5-7-18(8-6-17)15(20)19-9-11-21-12-10-19/h1-4H,5-12H2","OVVCCYKSBNDQHR-UHFFFAOYSA-N",null,">30000"]
[33445,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446020","FC(F)(F)c1ccc(cc1)N1CCN(CC1)C(=O)N1CCOCC1","InChI=1S/C16H20F3N3O2/c17-16(18,19)13-1-3-14(4-2-13)20-5-7-21(8-6-20)15(23)22-9-11-24-12-10-22/h1-4H,5-12H2","PYFBQIWKFQUSNB-UHFFFAOYSA-N",null,">30000"]
[33446,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446028","O=C(N1CCOCC1)N1CCN(CC1)c1ccc(cc1)C#C","InChI=1S/C17H21N3O2/c1-2-15-3-5-16(6-4-15)18-7-9-19(10-8-18)17(21)20-11-13-22-14-12-20/h1,3-6H,7-14H2","OFWSHLLNOKGGBN-UHFFFAOYSA-N",null,">30000"]
[33447,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446029","O=C(N1CCOCC1)N1CCN(CC1)c1cnc2ccccc2c1","InChI=1S/C18H22N4O2/c23-18(22-9-11-24-12-10-22)21-7-5-20(6-8-21)16-13-15-3-1-2-4-17(15)19-14-16/h1-4,13-14H,5-12H2","QKSWJXIYGJXJSC-UHFFFAOYSA-N",null,">30000"]
[33448,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446030","O=C(N1CCOCC1)N1CCN(CC1)c1ccc2ccccc2c1","InChI=1S/C19H23N3O2/c23-19(22-11-13-24-14-12-22)21-9-7-20(8-10-21)18-6-5-16-3-1-2-4-17(16)15-18/h1-6,15H,7-14H2","JUIOJWDMXYVVTL-UHFFFAOYSA-N",null,">30000"]
[33449,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446031","COc1ccc(cc1)N1CCN(CC1)C(=O)N1CCOCC1","InChI=1S/C16H23N3O3/c1-21-15-4-2-14(3-5-15)17-6-8-18(9-7-17)16(20)19-10-12-22-13-11-19/h2-5H,6-13H2,1H3","LQTPRRLRTAQMEJ-UHFFFAOYSA-N",null,">30000"]
[33450,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446032","Cc1ccc(cc1)N1CCN(CC1)C(=O)N1CCOCC1","InChI=1S/C16H23N3O2/c1-14-2-4-15(5-3-14)17-6-8-18(9-7-17)16(20)19-10-12-21-13-11-19/h2-5H,6-13H2,1H3","YUVYKZDXOQTEHV-UHFFFAOYSA-N",null,">30000"]
[33451,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446033","Clc1cccc(c1)N1CCN(CC1)C(=O)N1CCOCC1","InChI=1S/C15H20ClN3O2/c16-13-2-1-3-14(12-13)17-4-6-18(7-5-17)15(20)19-8-10-21-11-9-19/h1-3,12H,4-11H2","SIAVARWAJKXANO-UHFFFAOYSA-N",null,">30000"]
[33452,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446034","FC(F)(F)c1ccccc1N1CCN(CC1)C(=O)N1CCOCC1","InChI=1S/C16H20F3N3O2/c17-16(18,19)13-3-1-2-4-14(13)20-5-7-21(8-6-20)15(23)22-9-11-24-12-10-22/h1-4H,5-12H2","MERRHWANGSILHO-UHFFFAOYSA-N",null,">30000"]
[33453,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446035","Clc1ccccc1N1CCN(CC1)C(=O)N1CCOCC1","InChI=1S/C15H20ClN3O2/c16-13-3-1-2-4-14(13)17-5-7-18(8-6-17)15(20)19-9-11-21-12-10-19/h1-4H,5-12H2","FRZSDKFZWFXGQJ-UHFFFAOYSA-N",null,">30000"]
[33454,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446036","O=C(N1CCOCC1)N1CCN(CC1)c1ccccc1","InChI=1S/C15H21N3O2/c19-15(18-10-12-20-13-11-18)17-8-6-16(7-9-17)14-4-2-1-3-5-14/h1-5H,6-13H2","HYSVKZRGQBZLJC-UHFFFAOYSA-N",null,">30000"]
[33455,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50430723","CC1CCCCN1S(=O)(=O)c1ccc(cc1)N1CCCS1(=O)=O","InChI=1S/C15H22N2O4S2/c1-13-5-2-3-10-16(13)23(20,21)15-8-6-14(7-9-15)17-11-4-12-22(17,18)19/h6-9,13H,2-5,10-12H2,1H3","KRYFKXQGKJKXJA-UHFFFAOYSA-N",null,">30000"]
[33456,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50430700","CC1CCCCN1S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1","InChI=1S/C17H26N2O3S/c1-13-7-5-6-12-19(13)23(21,22)15-10-8-14(9-11-15)18-16(20)17(2,3)4/h8-11,13H,5-7,12H2,1-4H3,(H,18,20)","YEOMWWOLTSBVDA-UHFFFAOYSA-N",null,">30000"]
[33457,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50430703","CC1CCCCN1S(=O)(=O)c1ccc(cn1)N1CCCC1=O","InChI=1S/C15H21N3O3S/c1-12-5-2-3-10-18(12)22(20,21)14-8-7-13(11-16-14)17-9-4-6-15(17)19/h7-8,11-12H,2-6,9-10H2,1H3","MBZMRRSVLXIJLT-UHFFFAOYSA-N",null,">30000"]
[33458,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50430708","CC1CCCCN1S(=O)(=O)c1ccc(cc1)N1CCCCC1=O","InChI=1S/C17H24N2O3S/c1-14-6-2-5-13-19(14)23(21,22)16-10-8-15(9-11-16)18-12-4-3-7-17(18)20/h8-11,14H,2-7,12-13H2,1H3","ABGLFKDCUAVVOJ-UHFFFAOYSA-N",null,">30000"]
[33459,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50430709","CC1CCCCN1S(=O)(=O)c1ccc(cc1)N1CCC1=O","InChI=1S/C15H20N2O3S/c1-12-4-2-3-10-17(12)21(19,20)14-7-5-13(6-8-14)16-11-9-15(16)18/h5-8,12H,2-4,9-11H2,1H3","VFNXADRXERYLBI-UHFFFAOYSA-N",null,">30000"]
[33460,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50430714","O[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)N1CCCC1=O","InChI=1S/C15H20N2O4S/c18-13-3-1-9-16(11-13)22(20,21)14-7-5-12(6-8-14)17-10-2-4-15(17)19/h5-8,13,18H,1-4,9-11H2/t13-/m1/s1","VCTHJAXUXJFNEJ-CYBMUJFWSA-N",null,">30000"]
[33461,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50430715","O[C@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)N1CCCC1=O","InChI=1S/C15H20N2O4S/c18-13-3-1-9-16(11-13)22(20,21)14-7-5-12(6-8-14)17-10-2-4-15(17)19/h5-8,13,18H,1-4,9-11H2/t13-/m0/s1","VCTHJAXUXJFNEJ-ZDUSSCGKSA-N",null,">30000"]
[33462,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50430716","C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(cc1)N1CCCC1=O","InChI=1S/C17H24N2O3S/c1-13-5-3-6-14(2)19(13)23(21,22)16-10-8-15(9-11-16)18-12-4-7-17(18)20/h8-11,13-14H,3-7,12H2,1-2H3/t13-,14-/m0/s1","XCXAPZCDJCETGS-KBPBESRZSA-N",null,">30000"]
[33463,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50430717","CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)N1CCCC1=O","InChI=1S/C16H22N2O3S/c1-13-8-11-17(12-9-13)22(20,21)15-6-4-14(5-7-15)18-10-2-3-16(18)19/h4-7,13H,2-3,8-12H2,1H3","AJAGRFHHTYBASE-UHFFFAOYSA-N",null,">30000"]
[33464,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50430718","CC1CCCN(C1)S(=O)(=O)c1ccc(cc1)N1CCCC1=O","InChI=1S/C16H22N2O3S/c1-13-4-2-10-17(12-13)22(20,21)15-8-6-14(7-9-15)18-11-3-5-16(18)19/h6-9,13H,2-5,10-12H2,1H3","ZOPISKDOFNFRTN-UHFFFAOYSA-N",null,">30000"]
[33465,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50430719","C[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)N1CCCC1=O","InChI=1S/C16H22N2O3S/c1-13-5-2-3-12-18(13)22(20,21)15-9-7-14(8-10-15)17-11-4-6-16(17)19/h7-10,13H,2-6,11-12H2,1H3/t13-/m1/s1","KCSTYGPHSVKBQP-CYBMUJFWSA-N",null,">30000"]
[33466,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396669","OC(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(Br)cc1","InChI=1S/C15H10BrNO4S/c16-10-5-7-11(8-6-10)22(20,21)17-9-13(15(18)19)12-3-1-2-4-14(12)17/h1-9H,(H,18,19)","GVJMLPMDLUIKOZ-UHFFFAOYSA-N",null,">30000"]
[33467,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396670","OC(=O)c1cccc(c1)S(=O)(=O)Nc1ccc2ccccc2c1","InChI=1S/C17H13NO4S/c19-17(20)14-6-3-7-16(11-14)23(21,22)18-15-9-8-12-4-1-2-5-13(12)10-15/h1-11,18H,(H,19,20)","ZDSZVSCWEYMPFX-UHFFFAOYSA-N",null,">30000"]
[33468,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396671","OC(=O)c1cccc(c1)S(=O)(=O)N1CCCc2ccccc12","InChI=1S/C16H15NO4S/c18-16(19)13-6-3-8-14(11-13)22(20,21)17-10-4-7-12-5-1-2-9-15(12)17/h1-3,5-6,8-9,11H,4,7,10H2,(H,18,19)","QWYQADXOPOXONA-UHFFFAOYSA-N",null,">30000"]
[33469,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396672","OC(=O)c1cccc(c1)S(=O)(=O)N1Cc2ccccc2C1","InChI=1S/C15H13NO4S/c17-15(18)11-6-3-7-14(8-11)21(19,20)16-9-12-4-1-2-5-13(12)10-16/h1-8H,9-10H2,(H,17,18)","PMISBRGEZDFBQM-UHFFFAOYSA-N",null,">30000"]
[33470,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396673","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc12","InChI=1S/C15H13NO4S/c17-15(18)12-5-3-6-13(10-12)21(19,20)16-9-8-11-4-1-2-7-14(11)16/h1-7,10H,8-9H2,(H,17,18)","VLBSLQVQWAJURT-UHFFFAOYSA-N",null,">30000"]
[33471,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396674","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2sccc2C1","InChI=1S/C14H13NO4S2/c16-14(17)10-2-1-3-12(8-10)21(18,19)15-6-4-13-11(9-15)5-7-20-13/h1-3,5,7-8H,4,6,9H2,(H,16,17)","KOKBEXZEABMYFP-UHFFFAOYSA-N",null,">30000"]
[33472,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396675","OC(=O)c1cccc(c1)S(=O)(=O)N1CCC=CC1","InChI=1S/C12H13NO4S/c14-12(15)10-5-4-6-11(9-10)18(16,17)13-7-2-1-3-8-13/h1-2,4-6,9H,3,7-8H2,(H,14,15)","ZHBUIKFYTRKKGK-UHFFFAOYSA-N",null,">30000"]
[33473,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396676","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1","InChI=1S/C16H15NO4S/c18-16(19)13-6-3-7-15(10-13)22(20,21)17-9-8-12-4-1-2-5-14(12)11-17/h1-7,10H,8-9,11H2,(H,18,19)","ZGVIUMKHTXKKOX-UHFFFAOYSA-N",null,">30000"]
[33474,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396696","OC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(cc1)-c1cccc(c1)-c1ccccc1","InChI=1S/C24H23NO4S/c26-24(27)22-10-5-15-25(17-22)30(28,29)23-13-11-19(12-14-23)21-9-4-8-20(16-21)18-6-2-1-3-7-18/h1-4,6-9,11-14,16,22H,5,10,15,17H2,(H,26,27)","KETPPLLAPQURIV-UHFFFAOYSA-N",null,">30000"]
[33475,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396687","OC(=O)C1CCCN(C1)S(=O)(=O)c1ccc2cc3ccccc3cc2c1","InChI=1S/C20H19NO4S/c22-20(23)17-6-3-9-21(13-17)26(24,25)19-8-7-16-10-14-4-1-2-5-15(14)11-18(16)12-19/h1-2,4-5,7-8,10-12,17H,3,6,9,13H2,(H,22,23)","NVUYTSUMYCCEEU-UHFFFAOYSA-N",null,">30000"]
[33476,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396688","OC(=O)C1CCCN(C1)S(=O)(=O)c1cccc(c1)-c1ccccc1Cl","InChI=1S/C18H18ClNO4S/c19-17-9-2-1-8-16(17)13-5-3-7-15(11-13)25(23,24)20-10-4-6-14(12-20)18(21)22/h1-3,5,7-9,11,14H,4,6,10,12H2,(H,21,22)","SBFWCFHPBVYIJM-UHFFFAOYSA-N",null,">30000"]
[33477,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396697","OC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(cc1)-c1ccccc1Cl","InChI=1S/C18H18ClNO4S/c19-17-6-2-1-5-16(17)13-7-9-15(10-8-13)25(23,24)20-11-3-4-14(12-20)18(21)22/h1-2,5-10,14H,3-4,11-12H2,(H,21,22)","LWZYGSMEBIYHQE-UHFFFAOYSA-N",null,">30000"]
[33478,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396690","OC(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1ccc2ccccc2c1","InChI=1S/C16H17NO4S/c18-16(19)14-6-3-9-17(11-14)22(20,21)15-8-7-12-4-1-2-5-13(12)10-15/h1-2,4-5,7-8,10,14H,3,6,9,11H2,(H,18,19)/t14-/m1/s1","KTQWWYGLWQVHDM-CQSZACIVSA-N",null,">30000"]
[33479,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396700","O=C1CCCN1c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1","InChI=1S/C19H20N2O3S/c22-19-6-3-12-21(19)17-7-9-18(10-8-17)25(23,24)20-13-11-15-4-1-2-5-16(15)14-20/h1-2,4-5,7-10H,3,6,11-14H2","QTXMWXSORYCFRR-UHFFFAOYSA-N",null,">30000"]
[33480,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396701","O=C(NCCc1ccncc1)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1","InChI=1S/C23H23N3O3S/c27-23(25-14-10-18-8-12-24-13-9-18)20-6-3-7-22(16-20)30(28,29)26-15-11-19-4-1-2-5-21(19)17-26/h1-9,12-13,16H,10-11,14-15,17H2,(H,25,27)","SHNFSQVBYMQAPJ-UHFFFAOYSA-N",null,">30000"]
[33481,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396702","O=C(N1CC2(COC2)C1)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1","InChI=1S/C21H22N2O4S/c24-20(22-12-21(13-22)14-27-15-21)17-6-3-7-19(10-17)28(25,26)23-9-8-16-4-1-2-5-18(16)11-23/h1-7,10H,8-9,11-15H2","IEDIEOFBWTXBBC-UHFFFAOYSA-N",null,">30000"]
[33482,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396703","CN(C)C(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1","InChI=1S/C18H20N2O3S/c1-19(2)18(21)15-8-5-9-17(12-15)24(22,23)20-11-10-14-6-3-4-7-16(14)13-20/h3-9,12H,10-11,13H2,1-2H3","UKXCJUUDEWXLRU-UHFFFAOYSA-N",null,">30000"]
[33483,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396704","CNC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1","InChI=1S/C17H18N2O3S/c1-18-17(20)14-7-4-8-16(11-14)23(21,22)19-10-9-13-5-2-3-6-15(13)12-19/h2-8,11H,9-10,12H2,1H3,(H,18,20)","PBBCJGRZQLBCCD-UHFFFAOYSA-N",null,">30000"]
[33484,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396705","CN(C)CCNC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1","InChI=1S/C20H25N3O3S/c1-22(2)13-11-21-20(24)17-8-5-9-19(14-17)27(25,26)23-12-10-16-6-3-4-7-18(16)15-23/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)","BLBOXLJWZSVTKK-UHFFFAOYSA-N",null,">30000"]
[33485,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396706","O=C(N1CCSCC1)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1","InChI=1S/C20H22N2O3S2/c23-20(21-10-12-26-13-11-21)17-6-3-7-19(14-17)27(24,25)22-9-8-16-4-1-2-5-18(16)15-22/h1-7,14H,8-13,15H2","AYBGIGGYSMCTKR-UHFFFAOYSA-N",null,">30000"]
[33486,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396707","O=C(N1CCOCC1)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1","InChI=1S/C20H22N2O4S/c23-20(21-10-12-26-13-11-21)17-6-3-7-19(14-17)27(24,25)22-9-8-16-4-1-2-5-18(16)15-22/h1-7,14H,8-13,15H2","SAEDSVXDOJRWQN-UHFFFAOYSA-N",null,">30000"]
[33487,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396708","NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1","InChI=1S/C16H16N2O3S/c17-16(19)13-6-3-7-15(10-13)22(20,21)18-9-8-12-4-1-2-5-14(12)11-18/h1-7,10H,8-9,11H2,(H2,17,19)","HCXLUVGWFSBYGH-UHFFFAOYSA-N",null,">30000"]
[33488,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396693","O=S(=O)(N1CCc2ccccc2C1)c1cccc(c1)-c1nnn[nH]1","InChI=1S/C16H15N5O2S/c22-24(23,21-9-8-12-4-1-2-5-14(12)11-21)15-7-3-6-13(10-15)16-17-19-20-18-16/h1-7,10H,8-9,11H2,(H,17,18,19,20)","OAHSGVQFSYIBJH-UHFFFAOYSA-N",null,">30000"]
[33489,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396663","OC(=O)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1","InChI=1S/C17H16N2O5S/c20-16(17(21)22)18-14-6-3-7-15(10-14)25(23,24)19-9-8-12-4-1-2-5-13(12)11-19/h1-7,10H,8-9,11H2,(H,18,20)(H,21,22)","WXTOAQMIJQFVOQ-UHFFFAOYSA-N",null,">30000"]
[33490,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396664","OC(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1","InChI=1S/C16H15NO4S/c18-16(19)13-5-7-15(8-6-13)22(20,21)17-10-9-12-3-1-2-4-14(12)11-17/h1-8H,9-11H2,(H,18,19)","QLWLSZNKQJSZJE-UHFFFAOYSA-N",null,">30000"]
[33491,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396709","Cc1ccc(CCNS(=O)(=O)c2cccc(c2)C(O)=O)cc1","InChI=1S/C16H17NO4S/c1-12-5-7-13(8-6-12)9-10-17-22(20,21)15-4-2-3-14(11-15)16(18)19/h2-8,11,17H,9-10H2,1H3,(H,18,19)","KLTJANHLSXYJDD-UHFFFAOYSA-N",null,">30000"]
[33492,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396710","Cc1cccc(CCNS(=O)(=O)c2cccc(c2)C(O)=O)c1","InChI=1S/C16H17NO4S/c1-12-4-2-5-13(10-12)8-9-17-22(20,21)15-7-3-6-14(11-15)16(18)19/h2-7,10-11,17H,8-9H2,1H3,(H,18,19)","NXBYGTGYLDWXGO-UHFFFAOYSA-N",null,">30000"]
[33493,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396711","OC(=O)c1cccc(c1)S(=O)(=O)NCCc1cccc(Oc2ccccc2)c1","InChI=1S/C21H19NO5S/c23-21(24)17-7-5-11-20(15-17)28(25,26)22-13-12-16-6-4-10-19(14-16)27-18-8-2-1-3-9-18/h1-11,14-15,22H,12-13H2,(H,23,24)","KZOAULYPEKBDBF-UHFFFAOYSA-N",null,">30000"]
[33494,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396712","COc1ccc(CCNS(=O)(=O)c2cccc(c2)C(O)=O)cc1","InChI=1S/C16H17NO5S/c1-22-14-7-5-12(6-8-14)9-10-17-23(20,21)15-4-2-3-13(11-15)16(18)19/h2-8,11,17H,9-10H2,1H3,(H,18,19)","MGQWOBOTHZAJFG-UHFFFAOYSA-N",null,">30000"]
[33495,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396713","COc1cccc(CCNS(=O)(=O)c2cccc(c2)C(O)=O)c1","InChI=1S/C16H17NO5S/c1-22-14-6-2-4-12(10-14)8-9-17-23(20,21)15-7-3-5-13(11-15)16(18)19/h2-7,10-11,17H,8-9H2,1H3,(H,18,19)","LWAKDGJIPHDSSN-UHFFFAOYSA-N",null,">30000"]
[33496,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396665","OC(=O)c1cccc(c1)S(=O)(=O)NCCc1ccc(Cl)cc1","InChI=1S/C15H14ClNO4S/c16-13-6-4-11(5-7-13)8-9-17-22(20,21)14-3-1-2-12(10-14)15(18)19/h1-7,10,17H,8-9H2,(H,18,19)","GBNDJLDKNNEDQM-UHFFFAOYSA-N",null,">30000"]
[33497,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396666","OC(=O)c1cccc(c1)S(=O)(=O)NCCc1cccc(Cl)c1","InChI=1S/C15H14ClNO4S/c16-13-5-1-3-11(9-13)7-8-17-22(20,21)14-6-2-4-12(10-14)15(18)19/h1-6,9-10,17H,7-8H2,(H,18,19)","PLXFUYNMQRTZGO-UHFFFAOYSA-N",null,">30000"]
[33498,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396714","OC(=O)c1cccc(c1)S(=O)(=O)NCCc1ccccc1F","InChI=1S/C15H14FNO4S/c16-14-7-2-1-4-11(14)8-9-17-22(20,21)13-6-3-5-12(10-13)15(18)19/h1-7,10,17H,8-9H2,(H,18,19)","SRPRQWZSYQCUJT-UHFFFAOYSA-N",null,">30000"]
[33499,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396667","OC(=O)c1cccc(c1)S(=O)(=O)NCCc1ccccc1","InChI=1S/C15H15NO4S/c17-15(18)13-7-4-8-14(11-13)21(19,20)16-10-9-12-5-2-1-3-6-12/h1-8,11,16H,9-10H2,(H,17,18)","YPNOBPYZXOOSOQ-UHFFFAOYSA-N",null,">30000"]
[33500,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396715","OC(=O)c1cncc(c1)S(=O)(=O)N1CCc2ccccc2C1","InChI=1S/C15H14N2O4S/c18-15(19)13-7-14(9-16-8-13)22(20,21)17-6-5-11-3-1-2-4-12(11)10-17/h1-4,7-9H,5-6,10H2,(H,18,19)","HSAPYTJKJWNNEI-UHFFFAOYSA-N",null,">30000"]
[33501,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396668","COc1cc2CCN(Cc2cc1OC)S(=O)(=O)c1cccc(c1)C(O)=O","InChI=1S/C18H19NO6S/c1-24-16-9-12-6-7-19(11-14(12)10-17(16)25-2)26(22,23)15-5-3-4-13(8-15)18(20)21/h3-5,8-10H,6-7,11H2,1-2H3,(H,20,21)","SVZVMJLYVBNRKX-UHFFFAOYSA-N",null,">30000"]
[33502,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396716","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2cccc(Cl)c2C1","InChI=1S/C16H14ClNO4S/c17-15-6-2-3-11-7-8-18(10-14(11)15)23(21,22)13-5-1-4-12(9-13)16(19)20/h1-6,9H,7-8,10H2,(H,19,20)","OTFBILORZXOOKD-UHFFFAOYSA-N",null,">30000"]
[33503,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396717","COc1ccc2CCN(Cc2c1)S(=O)(=O)c1cccc(c1)C(O)=O","InChI=1S/C17H17NO5S/c1-23-15-6-5-12-7-8-18(11-14(12)9-15)24(21,22)16-4-2-3-13(10-16)17(19)20/h2-6,9-10H,7-8,11H2,1H3,(H,19,20)","WJBDINKBVXNGQC-UHFFFAOYSA-N",null,">30000"]
[33504,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396718","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccc(cc2C1)C#N","InChI=1S/C17H14N2O4S/c18-10-12-4-5-13-6-7-19(11-15(13)8-12)24(22,23)16-3-1-2-14(9-16)17(20)21/h1-5,8-9H,6-7,11H2,(H,20,21)","ZCKJLTOWUDOHDJ-UHFFFAOYSA-N",null,">30000"]
[33505,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396719","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccc(I)cc2C1","InChI=1S/C16H14INO4S/c17-14-5-4-11-6-7-18(10-13(11)8-14)23(21,22)15-3-1-2-12(9-15)16(19)20/h1-5,8-9H,6-7,10H2,(H,19,20)","XTWKXCBGPGMXJG-UHFFFAOYSA-N",null,">30000"]
[33506,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396692","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccc(Br)cc2C1","InChI=1S/C16H14BrNO4S/c17-14-5-4-11-6-7-18(10-13(11)8-14)23(21,22)15-3-1-2-12(9-15)16(19)20/h1-5,8-9H,6-7,10H2,(H,19,20)","PUPFYPLSLWKGNP-UHFFFAOYSA-N",null,">30000"]
[33507,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396644","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccc(Cl)cc2C1","InChI=1S/C16H14ClNO4S/c17-14-5-4-11-6-7-18(10-13(11)8-14)23(21,22)15-3-1-2-12(9-15)16(19)20/h1-5,8-9H,6-7,10H2,(H,19,20)","HXGFQMHALOPCDW-UHFFFAOYSA-N",null,">30000"]
[33508,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396645","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccc(F)cc2C1","InChI=1S/C16H14FNO4S/c17-14-5-4-11-6-7-18(10-13(11)8-14)23(21,22)15-3-1-2-12(9-15)16(19)20/h1-5,8-9H,6-7,10H2,(H,19,20)","JYRURBCJYCFKJT-UHFFFAOYSA-N",null,">30000"]
[33509,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396646","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccc(cc2C1)[N+]([O-])=O","InChI=1S/C16H14N2O6S/c19-16(20)12-2-1-3-15(9-12)25(23,24)17-7-6-11-4-5-14(18(21)22)8-13(11)10-17/h1-5,8-9H,6-7,10H2,(H,19,20)","VXGHADCNFOVNGO-UHFFFAOYSA-N",null,">30000"]
[33510,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396648","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccc(cc2C1)C#Cc1ccc(OC(F)(F)F)cc1","InChI=1S/C25H18F3NO5S/c26-25(27,28)34-22-10-7-17(8-11-22)4-5-18-6-9-19-12-13-29(16-21(19)14-18)35(32,33)23-3-1-2-20(15-23)24(30)31/h1-3,6-11,14-15H,12-13,16H2,(H,30,31)","XFRVQUZYEUJSHG-UHFFFAOYSA-N",null,">30000"]
[33511,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396649","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccc(cc2C1)C#C","InChI=1S/C18H15NO4S/c1-2-13-6-7-14-8-9-19(12-16(14)10-13)24(22,23)17-5-3-4-15(11-17)18(20)21/h1,3-7,10-11H,8-9,12H2,(H,20,21)","DTKGFUCTXXESLR-UHFFFAOYSA-N",null,">30000"]
[33512,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396650","Cc1ccc2CCN(Cc2c1)S(=O)(=O)c1cccc(c1)C(O)=O","InChI=1S/C17H17NO4S/c1-12-5-6-13-7-8-18(11-15(13)9-12)23(21,22)16-4-2-3-14(10-16)17(19)20/h2-6,9-10H,7-8,11H2,1H3,(H,19,20)","OLWOCZFUTMSJAT-UHFFFAOYSA-N",null,">30000"]
[33513,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50390660","OC(=O)c1cc(Br)ccc1NC(=O)c1cccc(O)c1","InChI=1S/C14H10BrNO4/c15-9-4-5-12(11(7-9)14(19)20)16-13(18)8-2-1-3-10(17)6-8/h1-7,17H,(H,16,18)(H,19,20)","NTURBAOVFJKLGD-UHFFFAOYSA-N",null,30300]
[33514,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50382163","OC(=O)c1cccc(Nc2ccc([N+]([O-])=O)c3ccccc23)c1","InChI=1S/C17H12N2O4/c20-17(21)11-4-3-5-12(10-11)18-15-8-9-16(19(22)23)14-7-2-1-6-13(14)15/h1-10,18H,(H,20,21)","ZLIDMWNTWSBTSM-UHFFFAOYSA-N",null,30600]
[33515,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50390659","OC(=O)c1cc(ccc1NC(=O)c1cccc(O)c1)[N+]([O-])=O","InChI=1S/C14H10N2O6/c17-10-3-1-2-8(6-10)13(18)15-12-5-4-9(16(21)22)7-11(12)14(19)20/h1-7,17H,(H,15,18)(H,19,20)","RLQDLAXIDYUFND-UHFFFAOYSA-N",null,32300]
[33516,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50337281","OC(=O)c1cccc(Nc2ccc(cc2)[N+]([O-])=O)c1","InChI=1S/C13H10N2O4/c16-13(17)9-2-1-3-11(8-9)14-10-4-6-12(7-5-10)15(18)19/h1-8,14H,(H,16,17)","YRZASYCIZSWCKB-UHFFFAOYSA-N",null,32700]
[33517,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50337281","OC(=O)c1cccc(Nc2ccc(cc2)[N+]([O-])=O)c1","InChI=1S/C13H10N2O4/c16-13(17)9-2-1-3-11(8-9)14-10-4-6-12(7-5-10)15(18)19/h1-8,14H,(H,16,17)","YRZASYCIZSWCKB-UHFFFAOYSA-N",null,32700]
[33518,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM50337281","OC(=O)c1cccc(Nc2ccc(cc2)[N+]([O-])=O)c1","InChI=1S/C13H10N2O4/c16-13(17)9-2-1-3-11(8-9)14-10-4-6-12(7-5-10)15(18)19/h1-8,14H,(H,16,17)","YRZASYCIZSWCKB-UHFFFAOYSA-N",null,32700]
[33519,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50337286","CC(C)(C)c1ccc(Nc2cccc(c2)C(O)=O)cc1","InChI=1S/C17H19NO2/c1-17(2,3)13-7-9-14(10-8-13)18-15-6-4-5-12(11-15)16(19)20/h4-11,18H,1-3H3,(H,19,20)","KMYHPILDAZPTQP-UHFFFAOYSA-N",null,39100]
[33520,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM50337286","CC(C)(C)c1ccc(Nc2cccc(c2)C(O)=O)cc1","InChI=1S/C17H19NO2/c1-17(2,3)13-7-9-14(10-8-13)18-15-6-4-5-12(11-15)16(19)20/h4-11,18H,1-3H3,(H,19,20)","KMYHPILDAZPTQP-UHFFFAOYSA-N",null,39100]
[33521,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50293598","COc1ccc2n(cc(CC(O)=O)c2c1)C(=O)c1ccc(Cl)cc1","InChI=1S/C18H14ClNO4/c1-24-14-6-7-16-15(9-14)12(8-17(21)22)10-20(16)18(23)11-2-4-13(19)5-3-11/h2-7,9-10H,8H2,1H3,(H,21,22)","DHEMTWWLRLOBKI-UHFFFAOYSA-N",null,48700]
[33522,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50337284","OC(=O)c1cccc(Nc2ccc(Cl)cc2)c1","InChI=1S/C13H10ClNO2/c14-10-4-6-11(7-5-10)15-12-3-1-2-9(8-12)13(16)17/h1-8,15H,(H,16,17)","UPJCPFBYPSSQEM-UHFFFAOYSA-N",null,48700]
[33523,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM50337284","OC(=O)c1cccc(Nc2ccc(Cl)cc2)c1","InChI=1S/C13H10ClNO2/c14-10-4-6-11(7-5-10)15-12-3-1-2-9(8-12)13(16)17/h1-8,15H,(H,16,17)","UPJCPFBYPSSQEM-UHFFFAOYSA-N",null,48700]
[33524,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50427628","COc1ccc2n(C(=O)c3ccc(CCl)cc3)c(C)c(CC(O)=O)c2c1","InChI=1S/C20H18ClNO4/c1-12-16(10-19(23)24)17-9-15(26-2)7-8-18(17)22(12)20(25)14-5-3-13(11-21)4-6-14/h3-9H,10-11H2,1-2H3,(H,23,24)","RRESDMSNRHUMGC-UHFFFAOYSA-N",null,49750]
[33525,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50390658","COc1cc(NC(=O)c2cccc(O)c2)c(cc1OC)C(O)=O","InChI=1S/C16H15NO6/c1-22-13-7-11(16(20)21)12(8-14(13)23-2)17-15(19)9-4-3-5-10(18)6-9/h3-8,18H,1-2H3,(H,17,19)(H,20,21)","HJZFMYQOUXCRHT-UHFFFAOYSA-N",null,50900]
[33526,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM17638","COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1","InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)","CGIGDMFJXJATDK-UHFFFAOYSA-N",null,54000]
[33527,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50509747","CN(C)c1ccc(CNC(=O)c2cc(CC=C(C)C)cc(\\C=C\\C(O)=O)c2)cc1","InChI=1S/C24H28N2O3/c1-17(2)5-6-19-13-20(9-12-23(27)28)15-21(14-19)24(29)25-16-18-7-10-22(11-8-18)26(3)4/h5,7-15H,6,16H2,1-4H3,(H,25,29)(H,27,28)/b12-9+","KWSYJRGLWRXWDC-FMIVXFBMSA-N",null,59000]
[33528,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50509763","COc1ccc(CNC(=O)c2cc(CC=C(C)C)cc(\\C=C\\C(O)=O)c2)cc1","InChI=1S/C23H25NO4/c1-16(2)4-5-18-12-19(8-11-22(25)26)14-20(13-18)23(27)24-15-17-6-9-21(28-3)10-7-17/h4,6-14H,5,15H2,1-3H3,(H,24,27)(H,25,26)/b11-8+","PTODWLIUCPDCTN-DHZHZOJOSA-N",null,60000]
[33529,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50337283","OC(=O)c1cccc(Nc2ccc(cc2)C(F)(F)F)c1","InChI=1S/C14H10F3NO2/c15-14(16,17)10-4-6-11(7-5-10)18-12-3-1-2-9(8-12)13(19)20/h1-8,18H,(H,19,20)","MDZIRNPRVJEHHX-UHFFFAOYSA-N",null,62700]
[33530,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM50337283","OC(=O)c1cccc(Nc2ccc(cc2)C(F)(F)F)c1","InChI=1S/C14H10F3NO2/c15-14(16,17)10-4-6-11(7-5-10)18-12-3-1-2-9(8-12)13(19)20/h1-8,18H,(H,19,20)","MDZIRNPRVJEHHX-UHFFFAOYSA-N",null,62700]
[33531,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50337283","OC(=O)c1cccc(Nc2ccc(cc2)C(F)(F)F)c1","InChI=1S/C14H10F3NO2/c15-14(16,17)10-4-6-11(7-5-10)18-12-3-1-2-9(8-12)13(19)20/h1-8,18H,(H,19,20)","MDZIRNPRVJEHHX-UHFFFAOYSA-N",null,62700]
[33532,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50509745","COc1ccc(CCNC(=O)c2cc(CC=C(C)C)cc(\\C=C\\C(O)=O)c2)cc1","InChI=1S/C24H27NO4/c1-17(2)4-5-19-14-20(8-11-23(26)27)16-21(15-19)24(28)25-13-12-18-6-9-22(29-3)10-7-18/h4,6-11,14-16H,5,12-13H2,1-3H3,(H,25,28)(H,26,27)/b11-8+","XJXJDTCRWFDELL-DHZHZOJOSA-N",null,72000]
[33533,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM50337285","OC(=O)c1cccc(Nc2ccc(Br)cc2)c1","InChI=1S/C13H10BrNO2/c14-10-4-6-11(7-5-10)15-12-3-1-2-9(8-12)13(16)17/h1-8,15H,(H,16,17)","QGRMQUFALFJLGQ-UHFFFAOYSA-N",null,91400]
[33534,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50337285","OC(=O)c1cccc(Nc2ccc(Br)cc2)c1","InChI=1S/C13H10BrNO2/c14-10-4-6-11(7-5-10)15-12-3-1-2-9(8-12)13(16)17/h1-8,15H,(H,16,17)","QGRMQUFALFJLGQ-UHFFFAOYSA-N",null,91400]
[33535,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50509723","CC(C)=CCc1cc(\\C=C\\C(O)=O)cc(c1)C(=O)NCCc1ccccc1","InChI=1S/C23H25NO3/c1-17(2)8-9-19-14-20(10-11-22(25)26)16-21(15-19)23(27)24-13-12-18-6-4-3-5-7-18/h3-8,10-11,14-16H,9,12-13H2,1-2H3,(H,24,27)(H,25,26)/b11-10+","SQICJHHIIRGRSA-ZHACJKMWSA-N",null,99000]
[33536,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM17636","OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F","InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)","LPEPZBJOKDYZAD-UHFFFAOYSA-N",null,">100000"]
[33537,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM22971","Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl","InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)","SBDNJUWAMKYJOX-UHFFFAOYSA-N",null,">100000"]
[33538,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50134036","Cc1cccc(Nc2ccccc2C(O)=O)c1C","InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)","HYYBABOKPJLUIN-UHFFFAOYSA-N",null,">100000"]
[33539,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50427621","COc1ccc2n(cc(CC(=O)NS(=O)(=O)C(F)(F)F)c2c1)C(=O)c1ccc(Cl)cc1","InChI=1S/C19H14ClF3N2O5S/c1-30-14-6-7-16-15(9-14)12(8-17(26)24-31(28,29)19(21,22)23)10-25(16)18(27)11-2-4-13(20)5-3-11/h2-7,9-10H,8H2,1H3,(H,24,26)","LOPOBSJDASSEKN-UHFFFAOYSA-N",null,">100000"]
[33540,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50390656","OC(=O)c1ccccc1NC(=O)c1cccc(O)c1","InChI=1S/C14H11NO4/c16-10-5-3-4-9(8-10)13(17)15-12-7-2-1-6-11(12)14(18)19/h1-8,16H,(H,15,17)(H,18,19)","UHYWVEURSKDJJI-UHFFFAOYSA-N",null,100000]
[33541,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50427629","COc1ccc2n(C(=O)c3ccc(C)cc3)c(C)c(CC(O)=O)c2c1","InChI=1S/C20H19NO4/c1-12-4-6-14(7-5-12)20(24)21-13(2)16(11-19(22)23)17-10-15(25-3)8-9-18(17)21/h4-10H,11H2,1-3H3,(H,22,23)","ASIGZZOVSCNZDW-UHFFFAOYSA-N",null,">100000"]
[33542,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50427627","COc1ccc2n(C(=O)c3ccc(cc3)C(F)(F)F)c(C)c(CC(O)=O)c2c1","InChI=1S/C20H16F3NO4/c1-11-15(10-18(25)26)16-9-14(28-2)7-8-17(16)24(11)19(27)12-3-5-13(6-4-12)20(21,22)23/h3-9H,10H2,1-2H3,(H,25,26)","WSJYANUXYPFGPR-UHFFFAOYSA-N",null,">100000"]
[33543,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50427626","COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NS(=O)(=O)C(F)(F)F)c2c1","InChI=1S/C20H16ClF3N2O5S/c1-11-15(10-18(27)25-32(29,30)20(22,23)24)16-9-14(31-2)7-8-17(16)26(11)19(28)12-3-5-13(21)6-4-12/h3-9H,10H2,1-2H3,(H,25,27)","IXPHIGAYXJJXNY-UHFFFAOYSA-N",null,">100000"]
[33544,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM17636","OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F","InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)","LPEPZBJOKDYZAD-UHFFFAOYSA-N",null,">100000"]
[33545,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50427625","COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CCC(O)=O)c2c1","InChI=1S/C20H18ClNO4/c1-12-16(8-10-19(23)24)17-11-15(26-2)7-9-18(17)22(12)20(25)13-3-5-14(21)6-4-13/h3-7,9,11H,8,10H2,1-2H3,(H,23,24)","ZXFPVIQVVULPBC-UHFFFAOYSA-N",null,">100000"]
[33546,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM17638","COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1","InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)","CGIGDMFJXJATDK-UHFFFAOYSA-N",null,">100000"]
[33547,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50339185","COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O","InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1","CMWTZPSULFXXJA-VIFPVBQESA-N",null,">100000"]
[33548,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM22971","Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl","InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)","SBDNJUWAMKYJOX-UHFFFAOYSA-N",null,">100000"]
[33549,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50169047","CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O","InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1","HEFNNWSXXWATRW-JTQLQIEISA-N",null,">100000"]
[33550,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50074922","CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1","InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)","SYTBZMRGLBWNTM-UHFFFAOYSA-N",null,">100000"]
[33551,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50024763","COc1cccc(COc2cc(\\C=C\\C(O)=O)ccc2OC(=O)CCc2ccccc2)c1","InChI=1S/C26H24O6/c1-30-22-9-5-8-21(16-22)18-31-24-17-20(11-14-25(27)28)10-13-23(24)32-26(29)15-12-19-6-3-2-4-7-19/h2-11,13-14,16-17H,12,15,18H2,1H3,(H,27,28)/b14-11+","PTJSVHPDGOPKFB-SDNWHVSQSA-N",null,">100000"]
[33552,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50384946","CC(C)=CCc1cc(\\C=C\\C(O)=O)ccc1OC(=O)CCc1ccccc1","InChI=1S/C23H24O4/c1-17(2)8-12-20-16-19(10-14-22(24)25)9-13-21(20)27-23(26)15-11-18-6-4-3-5-7-18/h3-10,13-14,16H,11-12,15H2,1-2H3,(H,24,25)/b14-10+","BJIVLGIZOMJQRT-GXDHUFHOSA-N",null,102000]
[33553,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50509743","CC(C)=CCc1cc(\\C=C\\C(O)=O)cc(c1)C(=O)NCc1cccc(OC(F)(F)F)c1","InChI=1S/C23H22F3NO4/c1-15(2)6-7-16-10-17(8-9-21(28)29)12-19(11-16)22(30)27-14-18-4-3-5-20(13-18)31-23(24,25)26/h3-6,8-13H,7,14H2,1-2H3,(H,27,30)(H,28,29)/b9-8+","XZRIDRASPFEZIN-CMDGGOBGSA-N",null,133000]
[33554,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50509746","CC(C)=CCc1cc(\\C=C\\C(O)=O)cc(c1)C(=O)NCCc1ccc(F)cc1","InChI=1S/C23H24FNO3/c1-16(2)3-4-18-13-19(7-10-22(26)27)15-20(14-18)23(28)25-12-11-17-5-8-21(24)9-6-17/h3,5-10,13-15H,4,11-12H2,1-2H3,(H,25,28)(H,26,27)/b10-7+","LYPFVLPMHOEBJY-JXMROGBWSA-N",null,140000]
[33555,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50509771","CC(C)=CCc1cc(\\C=C\\C(O)=O)cc(c1)C(=O)NCc1ccc(C)cc1","InChI=1S/C23H25NO3/c1-16(2)4-7-19-12-20(10-11-22(25)26)14-21(13-19)23(27)24-15-18-8-5-17(3)6-9-18/h4-6,8-14H,7,15H2,1-3H3,(H,24,27)(H,25,26)/b11-10+","QLILIESGRGWCSL-ZHACJKMWSA-N",null,145000]
[33556,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50509744","CC(C)=CCc1cc(\\C=C\\C(O)=O)cc(c1)C(=O)NCc1ccc(OC(F)(F)F)cc1","InChI=1S/C23H22F3NO4/c1-15(2)3-4-17-11-18(7-10-21(28)29)13-19(12-17)22(30)27-14-16-5-8-20(9-6-16)31-23(24,25)26/h3,5-13H,4,14H2,1-2H3,(H,27,30)(H,28,29)/b10-7+","LHORRWNZWXDXQU-JXMROGBWSA-N",null,151000]
[33557,"7c53_F",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50509720","CC(C)=CCc1cc(NC(=O)CCc2ccccc2)cc(\\C=C\\C(O)=O)c1","InChI=1S/C23H25NO3/c1-17(2)8-9-19-14-20(11-13-23(26)27)16-21(15-19)24-22(25)12-10-18-6-4-3-5-7-18/h3-8,11,13-16H,9-10,12H2,1-2H3,(H,24,25)(H,26,27)/b13-11+","OLZABESEMNMHRL-ACCUITESSA-N",null,206000]
[33558,"7bnn_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401900","O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30)","CJPMSUUANYLPET-UHFFFAOYSA-N",null,58]
[33559,"7bnn_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401918","CC(C)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C21H31N7O/c1-14(2)28-13-17(11-25-28)26-21-24-12-18(15-7-8-15)19(27-21)22-9-4-10-23-20(29)16-5-3-6-16/h11-16H,3-10H2,1-2H3,(H,23,29)(H2,22,24,26,27)","MLWMBKMQVQOSSC-UHFFFAOYSA-N",null,81]
[33560,"7bnn_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401903","O=C(NCCCNc1nc(Nc2cccc(Cn3cncn3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H30N8O/c33-23(19-5-2-6-19)27-11-3-10-26-22-21(18-8-9-18)13-28-24(31-22)30-20-7-1-4-17(12-20)14-32-16-25-15-29-32/h1,4,7,12-13,15-16,18-19H,2-3,5-6,8-11,14H2,(H,27,33)(H2,26,28,30,31)","GDYSINUURRPNLP-UHFFFAOYSA-N",null,88]
[33561,"7bnn_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401920","Cc1nn(C)c2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C24H31N7O/c1-15-19-10-9-18(13-21(19)31(2)30-15)28-24-27-14-20(16-7-8-16)22(29-24)25-11-4-12-26-23(32)17-5-3-6-17/h9-10,13-14,16-17H,3-8,11-12H2,1-2H3,(H,26,32)(H2,25,27,28,29)","YQQIVRZPQZTHDO-UHFFFAOYSA-N",null,90]
[33562,"7bnn_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401914","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O/c31-22(17-5-3-6-17)25-12-4-11-24-21-20(16-9-10-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-1-2-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BGULRIZNMKERDJ-UHFFFAOYSA-N",null,93]
[33563,"7bnn_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401916","O=C(NCCCNc1nc(Nc2cnn(c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C21H29N7O/c29-20(15-3-1-4-15)23-10-2-9-22-19-18(14-5-6-14)12-24-21(27-19)26-16-11-25-28(13-16)17-7-8-17/h11-15,17H,1-10H2,(H,23,29)(H2,22,24,26,27)","PLHGRDHBKJDBAW-UHFFFAOYSA-N",null,130]
[33564,"7bnn_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401917","CCn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C20H29N7O/c1-2-27-13-16(11-24-27)25-20-23-12-17(14-7-8-14)18(26-20)21-9-4-10-22-19(28)15-5-3-6-15/h11-15H,2-10H2,1H3,(H,22,28)(H2,21,23,25,26)","ATGOJZIHHQXMBT-UHFFFAOYSA-N",null,140]
[33565,"7bnn_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401927","O=C(NCCCNc1nc(Nc2ccc(cc2)-n2cncn2)ncc1C1CC1)C1CCC1","InChI=1S/C23H28N8O/c32-22(17-3-1-4-17)26-12-2-11-25-21-20(16-5-6-16)13-27-23(30-21)29-18-7-9-19(10-8-18)31-15-24-14-28-31/h7-10,13-17H,1-6,11-12H2,(H,26,32)(H2,25,27,29,30)","UNJQFYGCPVIKPA-UHFFFAOYSA-N",null,150]
[33566,"7bnn_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401899","Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25)","YOFJPZPGHXWQJB-UHFFFAOYSA-N",null,170]
[33567,"7bnn_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401915","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCC2)ncc1C1CC1)C1CCC1","InChI=1S/C22H31N7O/c30-21(16-4-1-5-16)24-11-3-10-23-20-19(15-8-9-15)13-25-22(28-20)27-17-12-26-29(14-17)18-6-2-7-18/h12-16,18H,1-11H2,(H,24,30)(H2,23,25,27,28)","WFLUXPNQSNOSDL-UHFFFAOYSA-N",null,220]
[33568,"7bnn_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401913","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O2/c31-22(17-3-1-4-17)25-10-2-9-24-21-20(16-5-6-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-11-32-12-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BPUHLRZXPRJIDO-UHFFFAOYSA-N",null,280]
[33569,"7bnn_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401921","Cn1ncc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C23H29N7O/c1-30-20-9-8-18(12-17(20)13-27-30)28-23-26-14-19(15-6-7-15)21(29-23)24-10-3-11-25-22(31)16-4-2-5-16/h8-9,12-16H,2-7,10-11H2,1H3,(H,25,31)(H2,24,26,28,29)","ZWBYSALZHQDDEL-UHFFFAOYSA-N",null,380]
[33570,"7bnn_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401925","O=C(NCCCNc1nc(Nc2ccc(nc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C24H33N7O2/c32-23(18-3-1-4-18)26-10-2-9-25-22-20(17-5-6-17)16-28-24(30-22)29-19-7-8-21(27-15-19)31-11-13-33-14-12-31/h7-8,15-18H,1-6,9-14H2,(H,26,32)(H2,25,28,29,30)","OGBCWLLWFKPBKH-UHFFFAOYSA-N",null,490]
[33571,"7bnn_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401902","CN(C)Cc1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C24H34N6O/c1-30(2)16-17-7-11-20(12-8-17)28-24-27-15-21(18-9-10-18)22(29-24)25-13-4-14-26-23(31)19-5-3-6-19/h7-8,11-12,15,18-19H,3-6,9-10,13-14,16H2,1-2H3,(H,26,31)(H2,25,27,28,29)","FVHHRIHFFRQXRD-UHFFFAOYSA-N",null,550]
[33572,"7bnn_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401905","O=C(NCCCNc1nc(Nc2cccc(c2)-c2cnco2)ncc1C1CC1)C1CCC1","InChI=1S/C24H28N6O2/c31-23(17-4-1-5-17)27-11-3-10-26-22-20(16-8-9-16)13-28-24(30-22)29-19-7-2-6-18(12-19)21-14-25-15-32-21/h2,6-7,12-17H,1,3-5,8-11H2,(H,27,31)(H2,26,28,29,30)","DHEGBWHMLXDRTE-UHFFFAOYSA-N",null,560]
[33573,"7bnn_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401922","O=C(NCCCNc1nc(Nc2ccc3CCN(Cc3c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C27H36N6O/c34-26(20-3-1-4-20)29-13-2-12-28-25-24(19-5-6-19)16-30-27(32-25)31-22-8-7-18-11-14-33(23-9-10-23)17-21(18)15-22/h7-8,15-16,19-20,23H,1-6,9-14,17H2,(H,29,34)(H2,28,30,31,32)","MDSQSUYVBCKIKT-UHFFFAOYSA-N",null,570]
[33574,"7bnn_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401904","O=C(NCCCNc1nc(Nc2cccc(c2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-4-1-5-19)27-11-3-10-26-23-22(18-8-9-18)17-28-25(30-23)29-20-6-2-7-21(16-20)31-12-14-33-15-13-31/h2,6-7,16-19H,1,3-5,8-15H2,(H,27,32)(H2,26,28,29,30)","IBJXOEFBZCQHEA-UHFFFAOYSA-N",null,580]
[33575,"7bnn_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401901","CN1CCC(CC1)c1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C27H38N6O/c1-33-16-12-20(13-17-33)19-8-10-23(11-9-19)31-27-30-18-24(21-6-7-21)25(32-27)28-14-3-15-29-26(34)22-4-2-5-22/h8-11,18,20-22H,2-7,12-17H2,1H3,(H,29,34)(H2,28,30,31,32)","KDVSDCOOYFNFIM-UHFFFAOYSA-N",null,660]
[33576,"7bnn_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401926","O=C(NCCCNc1nc(Nc2cccnc2)ncc1C1CC1)C1CCC1","InChI=1S/C20H26N6O/c27-19(15-4-1-5-15)23-11-3-10-22-18-17(14-7-8-14)13-24-20(26-18)25-16-6-2-9-21-12-16/h2,6,9,12-15H,1,3-5,7-8,10-11H2,(H,23,27)(H2,22,24,25,26)","DAAZPAUBEVGXFD-UHFFFAOYSA-N",null,">1000"]
[33577,"7bnn_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401924","O=C(NCCCNc1nc(Nc2ccc(CN3CCCCC3)nc2)ncc1C1CC1)C1CCC1","InChI=1S/C26H37N7O/c34-25(20-6-4-7-20)28-13-5-12-27-24-23(19-8-9-19)17-30-26(32-24)31-21-10-11-22(29-16-21)18-33-14-2-1-3-15-33/h10-11,16-17,19-20H,1-9,12-15,18H2,(H,28,34)(H2,27,30,31,32)","YMKUQCYWRPVRGE-UHFFFAOYSA-N",null,1200]
[33578,"7bnn_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401906","Fc1cccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)c1","InChI=1S/C21H26FN5O/c22-16-6-2-7-17(12-16)26-21-25-13-18(14-8-9-14)19(27-21)23-10-3-11-24-20(28)15-4-1-5-15/h2,6-7,12-15H,1,3-5,8-11H2,(H,24,28)(H2,23,25,26,27)","URECOWLJWSLQCN-UHFFFAOYSA-N",null,1300]
[33579,"7bnn_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401911","CC(C)N1CCC(CC1)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C26H40N8O/c1-18(2)33-13-9-22(10-14-33)34-17-21(15-30-34)31-26-29-16-23(19-7-8-19)24(32-26)27-11-4-12-28-25(35)20-5-3-6-20/h15-20,22H,3-14H2,1-2H3,(H,28,35)(H2,27,29,31,32)","MJCWEXGCJMNQGR-UHFFFAOYSA-N",null,3000]
[33580,"7bnn_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401912","O=C(NCCCNc1nc(Nc2cnn(CCN3CCOCC3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H36N8O2/c33-23(19-3-1-4-19)26-8-2-7-25-22-21(18-5-6-18)16-27-24(30-22)29-20-15-28-32(17-20)10-9-31-11-13-34-14-12-31/h15-19H,1-14H2,(H,26,33)(H2,25,27,29,30)","OOXCKYWNRURMMA-UHFFFAOYSA-N",null,9000]
[33581,"7bnn_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401900","O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30)","CJPMSUUANYLPET-UHFFFAOYSA-N",null,58]
[33582,"7bnn_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401918","CC(C)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C21H31N7O/c1-14(2)28-13-17(11-25-28)26-21-24-12-18(15-7-8-15)19(27-21)22-9-4-10-23-20(29)16-5-3-6-16/h11-16H,3-10H2,1-2H3,(H,23,29)(H2,22,24,26,27)","MLWMBKMQVQOSSC-UHFFFAOYSA-N",null,81]
[33583,"7bnn_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401903","O=C(NCCCNc1nc(Nc2cccc(Cn3cncn3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H30N8O/c33-23(19-5-2-6-19)27-11-3-10-26-22-21(18-8-9-18)13-28-24(31-22)30-20-7-1-4-17(12-20)14-32-16-25-15-29-32/h1,4,7,12-13,15-16,18-19H,2-3,5-6,8-11,14H2,(H,27,33)(H2,26,28,30,31)","GDYSINUURRPNLP-UHFFFAOYSA-N",null,88]
[33584,"7bnn_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401920","Cc1nn(C)c2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C24H31N7O/c1-15-19-10-9-18(13-21(19)31(2)30-15)28-24-27-14-20(16-7-8-16)22(29-24)25-11-4-12-26-23(32)17-5-3-6-17/h9-10,13-14,16-17H,3-8,11-12H2,1-2H3,(H,26,32)(H2,25,27,28,29)","YQQIVRZPQZTHDO-UHFFFAOYSA-N",null,90]
[33585,"7bnn_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401914","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O/c31-22(17-5-3-6-17)25-12-4-11-24-21-20(16-9-10-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-1-2-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BGULRIZNMKERDJ-UHFFFAOYSA-N",null,93]
[33586,"7bnn_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401916","O=C(NCCCNc1nc(Nc2cnn(c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C21H29N7O/c29-20(15-3-1-4-15)23-10-2-9-22-19-18(14-5-6-14)12-24-21(27-19)26-16-11-25-28(13-16)17-7-8-17/h11-15,17H,1-10H2,(H,23,29)(H2,22,24,26,27)","PLHGRDHBKJDBAW-UHFFFAOYSA-N",null,130]
[33587,"7bnn_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401917","CCn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C20H29N7O/c1-2-27-13-16(11-24-27)25-20-23-12-17(14-7-8-14)18(26-20)21-9-4-10-22-19(28)15-5-3-6-15/h11-15H,2-10H2,1H3,(H,22,28)(H2,21,23,25,26)","ATGOJZIHHQXMBT-UHFFFAOYSA-N",null,140]
[33588,"7bnn_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401927","O=C(NCCCNc1nc(Nc2ccc(cc2)-n2cncn2)ncc1C1CC1)C1CCC1","InChI=1S/C23H28N8O/c32-22(17-3-1-4-17)26-12-2-11-25-21-20(16-5-6-16)13-27-23(30-21)29-18-7-9-19(10-8-18)31-15-24-14-28-31/h7-10,13-17H,1-6,11-12H2,(H,26,32)(H2,25,27,29,30)","UNJQFYGCPVIKPA-UHFFFAOYSA-N",null,150]
[33589,"7bnn_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401899","Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25)","YOFJPZPGHXWQJB-UHFFFAOYSA-N",null,170]
[33590,"7bnn_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401915","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCC2)ncc1C1CC1)C1CCC1","InChI=1S/C22H31N7O/c30-21(16-4-1-5-16)24-11-3-10-23-20-19(15-8-9-15)13-25-22(28-20)27-17-12-26-29(14-17)18-6-2-7-18/h12-16,18H,1-11H2,(H,24,30)(H2,23,25,27,28)","WFLUXPNQSNOSDL-UHFFFAOYSA-N",null,220]
[33591,"7bnn_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401913","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O2/c31-22(17-3-1-4-17)25-10-2-9-24-21-20(16-5-6-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-11-32-12-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BPUHLRZXPRJIDO-UHFFFAOYSA-N",null,280]
[33592,"7bnn_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401921","Cn1ncc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C23H29N7O/c1-30-20-9-8-18(12-17(20)13-27-30)28-23-26-14-19(15-6-7-15)21(29-23)24-10-3-11-25-22(31)16-4-2-5-16/h8-9,12-16H,2-7,10-11H2,1H3,(H,25,31)(H2,24,26,28,29)","ZWBYSALZHQDDEL-UHFFFAOYSA-N",null,380]
[33593,"7bnn_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401925","O=C(NCCCNc1nc(Nc2ccc(nc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C24H33N7O2/c32-23(18-3-1-4-18)26-10-2-9-25-22-20(17-5-6-17)16-28-24(30-22)29-19-7-8-21(27-15-19)31-11-13-33-14-12-31/h7-8,15-18H,1-6,9-14H2,(H,26,32)(H2,25,28,29,30)","OGBCWLLWFKPBKH-UHFFFAOYSA-N",null,490]
[33594,"7bnn_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401902","CN(C)Cc1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C24H34N6O/c1-30(2)16-17-7-11-20(12-8-17)28-24-27-15-21(18-9-10-18)22(29-24)25-13-4-14-26-23(31)19-5-3-6-19/h7-8,11-12,15,18-19H,3-6,9-10,13-14,16H2,1-2H3,(H,26,31)(H2,25,27,28,29)","FVHHRIHFFRQXRD-UHFFFAOYSA-N",null,550]
[33595,"7bnn_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401905","O=C(NCCCNc1nc(Nc2cccc(c2)-c2cnco2)ncc1C1CC1)C1CCC1","InChI=1S/C24H28N6O2/c31-23(17-4-1-5-17)27-11-3-10-26-22-20(16-8-9-16)13-28-24(30-22)29-19-7-2-6-18(12-19)21-14-25-15-32-21/h2,6-7,12-17H,1,3-5,8-11H2,(H,27,31)(H2,26,28,29,30)","DHEGBWHMLXDRTE-UHFFFAOYSA-N",null,560]
[33596,"7bnn_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401922","O=C(NCCCNc1nc(Nc2ccc3CCN(Cc3c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C27H36N6O/c34-26(20-3-1-4-20)29-13-2-12-28-25-24(19-5-6-19)16-30-27(32-25)31-22-8-7-18-11-14-33(23-9-10-23)17-21(18)15-22/h7-8,15-16,19-20,23H,1-6,9-14,17H2,(H,29,34)(H2,28,30,31,32)","MDSQSUYVBCKIKT-UHFFFAOYSA-N",null,570]
[33597,"7bnn_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401904","O=C(NCCCNc1nc(Nc2cccc(c2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-4-1-5-19)27-11-3-10-26-23-22(18-8-9-18)17-28-25(30-23)29-20-6-2-7-21(16-20)31-12-14-33-15-13-31/h2,6-7,16-19H,1,3-5,8-15H2,(H,27,32)(H2,26,28,29,30)","IBJXOEFBZCQHEA-UHFFFAOYSA-N",null,580]
[33598,"7bnn_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401901","CN1CCC(CC1)c1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C27H38N6O/c1-33-16-12-20(13-17-33)19-8-10-23(11-9-19)31-27-30-18-24(21-6-7-21)25(32-27)28-14-3-15-29-26(34)22-4-2-5-22/h8-11,18,20-22H,2-7,12-17H2,1H3,(H,29,34)(H2,28,30,31,32)","KDVSDCOOYFNFIM-UHFFFAOYSA-N",null,660]
[33599,"7bnn_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401926","O=C(NCCCNc1nc(Nc2cccnc2)ncc1C1CC1)C1CCC1","InChI=1S/C20H26N6O/c27-19(15-4-1-5-15)23-11-3-10-22-18-17(14-7-8-14)13-24-20(26-18)25-16-6-2-9-21-12-16/h2,6,9,12-15H,1,3-5,7-8,10-11H2,(H,23,27)(H2,22,24,25,26)","DAAZPAUBEVGXFD-UHFFFAOYSA-N",null,">1000"]
[33600,"7bnn_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401924","O=C(NCCCNc1nc(Nc2ccc(CN3CCCCC3)nc2)ncc1C1CC1)C1CCC1","InChI=1S/C26H37N7O/c34-25(20-6-4-7-20)28-13-5-12-27-24-23(19-8-9-19)17-30-26(32-24)31-21-10-11-22(29-16-21)18-33-14-2-1-3-15-33/h10-11,16-17,19-20H,1-9,12-15,18H2,(H,28,34)(H2,27,30,31,32)","YMKUQCYWRPVRGE-UHFFFAOYSA-N",null,1200]
[33601,"7bnn_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401906","Fc1cccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)c1","InChI=1S/C21H26FN5O/c22-16-6-2-7-17(12-16)26-21-25-13-18(14-8-9-14)19(27-21)23-10-3-11-24-20(28)15-4-1-5-15/h2,6-7,12-15H,1,3-5,8-11H2,(H,24,28)(H2,23,25,26,27)","URECOWLJWSLQCN-UHFFFAOYSA-N",null,1300]
[33602,"7bnn_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401911","CC(C)N1CCC(CC1)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C26H40N8O/c1-18(2)33-13-9-22(10-14-33)34-17-21(15-30-34)31-26-29-16-23(19-7-8-19)24(32-26)27-11-4-12-28-25(35)20-5-3-6-20/h15-20,22H,3-14H2,1-2H3,(H,28,35)(H2,27,29,31,32)","MJCWEXGCJMNQGR-UHFFFAOYSA-N",null,3000]
[33603,"7bnn_C",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401912","O=C(NCCCNc1nc(Nc2cnn(CCN3CCOCC3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H36N8O2/c33-23(19-3-1-4-19)26-8-2-7-25-22-21(18-5-6-18)16-27-24(30-22)29-20-15-28-32(17-20)10-9-31-11-13-34-14-12-31/h15-19H,1-14H2,(H,26,33)(H2,25,27,29,30)","OOXCKYWNRURMMA-UHFFFAOYSA-N",null,9000]
[33604,"7ek6_A",0.4,"Spike protein S2","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401900","O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30)","CJPMSUUANYLPET-UHFFFAOYSA-N",null,58]
[33605,"7ek6_A",0.4,"Spike protein S2","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401918","CC(C)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C21H31N7O/c1-14(2)28-13-17(11-25-28)26-21-24-12-18(15-7-8-15)19(27-21)22-9-4-10-23-20(29)16-5-3-6-16/h11-16H,3-10H2,1-2H3,(H,23,29)(H2,22,24,26,27)","MLWMBKMQVQOSSC-UHFFFAOYSA-N",null,81]
[33606,"7ek6_A",0.4,"Spike protein S2","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401903","O=C(NCCCNc1nc(Nc2cccc(Cn3cncn3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H30N8O/c33-23(19-5-2-6-19)27-11-3-10-26-22-21(18-8-9-18)13-28-24(31-22)30-20-7-1-4-17(12-20)14-32-16-25-15-29-32/h1,4,7,12-13,15-16,18-19H,2-3,5-6,8-11,14H2,(H,27,33)(H2,26,28,30,31)","GDYSINUURRPNLP-UHFFFAOYSA-N",null,88]
[33607,"7ek6_A",0.4,"Spike protein S2","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401920","Cc1nn(C)c2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C24H31N7O/c1-15-19-10-9-18(13-21(19)31(2)30-15)28-24-27-14-20(16-7-8-16)22(29-24)25-11-4-12-26-23(32)17-5-3-6-17/h9-10,13-14,16-17H,3-8,11-12H2,1-2H3,(H,26,32)(H2,25,27,28,29)","YQQIVRZPQZTHDO-UHFFFAOYSA-N",null,90]
[33608,"7ek6_A",0.4,"Spike protein S2","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401914","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O/c31-22(17-5-3-6-17)25-12-4-11-24-21-20(16-9-10-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-1-2-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BGULRIZNMKERDJ-UHFFFAOYSA-N",null,93]
[33609,"7ek6_A",0.4,"Spike protein S2","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401916","O=C(NCCCNc1nc(Nc2cnn(c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C21H29N7O/c29-20(15-3-1-4-15)23-10-2-9-22-19-18(14-5-6-14)12-24-21(27-19)26-16-11-25-28(13-16)17-7-8-17/h11-15,17H,1-10H2,(H,23,29)(H2,22,24,26,27)","PLHGRDHBKJDBAW-UHFFFAOYSA-N",null,130]
[33610,"7ek6_A",0.4,"Spike protein S2","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401917","CCn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C20H29N7O/c1-2-27-13-16(11-24-27)25-20-23-12-17(14-7-8-14)18(26-20)21-9-4-10-22-19(28)15-5-3-6-15/h11-15H,2-10H2,1H3,(H,22,28)(H2,21,23,25,26)","ATGOJZIHHQXMBT-UHFFFAOYSA-N",null,140]
[33611,"7ek6_A",0.4,"Spike protein S2","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401927","O=C(NCCCNc1nc(Nc2ccc(cc2)-n2cncn2)ncc1C1CC1)C1CCC1","InChI=1S/C23H28N8O/c32-22(17-3-1-4-17)26-12-2-11-25-21-20(16-5-6-16)13-27-23(30-21)29-18-7-9-19(10-8-18)31-15-24-14-28-31/h7-10,13-17H,1-6,11-12H2,(H,26,32)(H2,25,27,29,30)","UNJQFYGCPVIKPA-UHFFFAOYSA-N",null,150]
[33612,"7ek6_A",0.4,"Spike protein S2","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401899","Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25)","YOFJPZPGHXWQJB-UHFFFAOYSA-N",null,170]
[33613,"7ek6_A",0.4,"Spike protein S2","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401915","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCC2)ncc1C1CC1)C1CCC1","InChI=1S/C22H31N7O/c30-21(16-4-1-5-16)24-11-3-10-23-20-19(15-8-9-15)13-25-22(28-20)27-17-12-26-29(14-17)18-6-2-7-18/h12-16,18H,1-11H2,(H,24,30)(H2,23,25,27,28)","WFLUXPNQSNOSDL-UHFFFAOYSA-N",null,220]
[33614,"7ek6_A",0.4,"Spike protein S2","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401913","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O2/c31-22(17-3-1-4-17)25-10-2-9-24-21-20(16-5-6-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-11-32-12-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BPUHLRZXPRJIDO-UHFFFAOYSA-N",null,280]
[33615,"7ek6_A",0.4,"Spike protein S2","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401921","Cn1ncc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C23H29N7O/c1-30-20-9-8-18(12-17(20)13-27-30)28-23-26-14-19(15-6-7-15)21(29-23)24-10-3-11-25-22(31)16-4-2-5-16/h8-9,12-16H,2-7,10-11H2,1H3,(H,25,31)(H2,24,26,28,29)","ZWBYSALZHQDDEL-UHFFFAOYSA-N",null,380]
[33616,"7ek6_A",0.4,"Spike protein S2","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401925","O=C(NCCCNc1nc(Nc2ccc(nc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C24H33N7O2/c32-23(18-3-1-4-18)26-10-2-9-25-22-20(17-5-6-17)16-28-24(30-22)29-19-7-8-21(27-15-19)31-11-13-33-14-12-31/h7-8,15-18H,1-6,9-14H2,(H,26,32)(H2,25,28,29,30)","OGBCWLLWFKPBKH-UHFFFAOYSA-N",null,490]
[33617,"7ek6_A",0.4,"Spike protein S2","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401902","CN(C)Cc1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C24H34N6O/c1-30(2)16-17-7-11-20(12-8-17)28-24-27-15-21(18-9-10-18)22(29-24)25-13-4-14-26-23(31)19-5-3-6-19/h7-8,11-12,15,18-19H,3-6,9-10,13-14,16H2,1-2H3,(H,26,31)(H2,25,27,28,29)","FVHHRIHFFRQXRD-UHFFFAOYSA-N",null,550]
[33618,"7ek6_A",0.4,"Spike protein S2","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401905","O=C(NCCCNc1nc(Nc2cccc(c2)-c2cnco2)ncc1C1CC1)C1CCC1","InChI=1S/C24H28N6O2/c31-23(17-4-1-5-17)27-11-3-10-26-22-20(16-8-9-16)13-28-24(30-22)29-19-7-2-6-18(12-19)21-14-25-15-32-21/h2,6-7,12-17H,1,3-5,8-11H2,(H,27,31)(H2,26,28,29,30)","DHEGBWHMLXDRTE-UHFFFAOYSA-N",null,560]
[33619,"7ek6_A",0.4,"Spike protein S2","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401922","O=C(NCCCNc1nc(Nc2ccc3CCN(Cc3c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C27H36N6O/c34-26(20-3-1-4-20)29-13-2-12-28-25-24(19-5-6-19)16-30-27(32-25)31-22-8-7-18-11-14-33(23-9-10-23)17-21(18)15-22/h7-8,15-16,19-20,23H,1-6,9-14,17H2,(H,29,34)(H2,28,30,31,32)","MDSQSUYVBCKIKT-UHFFFAOYSA-N",null,570]
[33620,"7ek6_A",0.4,"Spike protein S2","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401904","O=C(NCCCNc1nc(Nc2cccc(c2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-4-1-5-19)27-11-3-10-26-23-22(18-8-9-18)17-28-25(30-23)29-20-6-2-7-21(16-20)31-12-14-33-15-13-31/h2,6-7,16-19H,1,3-5,8-15H2,(H,27,32)(H2,26,28,29,30)","IBJXOEFBZCQHEA-UHFFFAOYSA-N",null,580]
[33621,"7ek6_A",0.4,"Spike protein S2","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401901","CN1CCC(CC1)c1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C27H38N6O/c1-33-16-12-20(13-17-33)19-8-10-23(11-9-19)31-27-30-18-24(21-6-7-21)25(32-27)28-14-3-15-29-26(34)22-4-2-5-22/h8-11,18,20-22H,2-7,12-17H2,1H3,(H,29,34)(H2,28,30,31,32)","KDVSDCOOYFNFIM-UHFFFAOYSA-N",null,660]
[33622,"7ek6_A",0.4,"Spike protein S2","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401926","O=C(NCCCNc1nc(Nc2cccnc2)ncc1C1CC1)C1CCC1","InChI=1S/C20H26N6O/c27-19(15-4-1-5-15)23-11-3-10-22-18-17(14-7-8-14)13-24-20(26-18)25-16-6-2-9-21-12-16/h2,6,9,12-15H,1,3-5,7-8,10-11H2,(H,23,27)(H2,22,24,25,26)","DAAZPAUBEVGXFD-UHFFFAOYSA-N",null,">1000"]
[33623,"7ek6_A",0.4,"Spike protein S2","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401924","O=C(NCCCNc1nc(Nc2ccc(CN3CCCCC3)nc2)ncc1C1CC1)C1CCC1","InChI=1S/C26H37N7O/c34-25(20-6-4-7-20)28-13-5-12-27-24-23(19-8-9-19)17-30-26(32-24)31-21-10-11-22(29-16-21)18-33-14-2-1-3-15-33/h10-11,16-17,19-20H,1-9,12-15,18H2,(H,28,34)(H2,27,30,31,32)","YMKUQCYWRPVRGE-UHFFFAOYSA-N",null,1200]
[33624,"7ek6_A",0.4,"Spike protein S2","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401906","Fc1cccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)c1","InChI=1S/C21H26FN5O/c22-16-6-2-7-17(12-16)26-21-25-13-18(14-8-9-14)19(27-21)23-10-3-11-24-20(28)15-4-1-5-15/h2,6-7,12-15H,1,3-5,8-11H2,(H,24,28)(H2,23,25,26,27)","URECOWLJWSLQCN-UHFFFAOYSA-N",null,1300]
[33625,"7ek6_A",0.4,"Spike protein S2","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401911","CC(C)N1CCC(CC1)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C26H40N8O/c1-18(2)33-13-9-22(10-14-33)34-17-21(15-30-34)31-26-29-16-23(19-7-8-19)24(32-26)27-11-4-12-28-25(35)20-5-3-6-20/h15-20,22H,3-14H2,1-2H3,(H,28,35)(H2,27,29,31,32)","MJCWEXGCJMNQGR-UHFFFAOYSA-N",null,3000]
[33626,"7ek6_A",0.4,"Spike protein S2","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401912","O=C(NCCCNc1nc(Nc2cnn(CCN3CCOCC3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H36N8O2/c33-23(19-3-1-4-19)26-8-2-7-25-22-21(18-5-6-18)16-27-24(30-22)29-20-15-28-32(17-20)10-9-31-11-13-34-14-12-31/h15-19H,1-14H2,(H,26,33)(H2,25,27,29,30)","OOXCKYWNRURMMA-UHFFFAOYSA-N",null,9000]
[33627,"7lqv_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401900","O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30)","CJPMSUUANYLPET-UHFFFAOYSA-N",null,58]
[33628,"7lqv_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401918","CC(C)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C21H31N7O/c1-14(2)28-13-17(11-25-28)26-21-24-12-18(15-7-8-15)19(27-21)22-9-4-10-23-20(29)16-5-3-6-16/h11-16H,3-10H2,1-2H3,(H,23,29)(H2,22,24,26,27)","MLWMBKMQVQOSSC-UHFFFAOYSA-N",null,81]
[33629,"7lqv_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401903","O=C(NCCCNc1nc(Nc2cccc(Cn3cncn3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H30N8O/c33-23(19-5-2-6-19)27-11-3-10-26-22-21(18-8-9-18)13-28-24(31-22)30-20-7-1-4-17(12-20)14-32-16-25-15-29-32/h1,4,7,12-13,15-16,18-19H,2-3,5-6,8-11,14H2,(H,27,33)(H2,26,28,30,31)","GDYSINUURRPNLP-UHFFFAOYSA-N",null,88]
[33630,"7lqv_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401920","Cc1nn(C)c2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C24H31N7O/c1-15-19-10-9-18(13-21(19)31(2)30-15)28-24-27-14-20(16-7-8-16)22(29-24)25-11-4-12-26-23(32)17-5-3-6-17/h9-10,13-14,16-17H,3-8,11-12H2,1-2H3,(H,26,32)(H2,25,27,28,29)","YQQIVRZPQZTHDO-UHFFFAOYSA-N",null,90]
[33631,"7lqv_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401914","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O/c31-22(17-5-3-6-17)25-12-4-11-24-21-20(16-9-10-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-1-2-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BGULRIZNMKERDJ-UHFFFAOYSA-N",null,93]
[33632,"7lqv_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401916","O=C(NCCCNc1nc(Nc2cnn(c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C21H29N7O/c29-20(15-3-1-4-15)23-10-2-9-22-19-18(14-5-6-14)12-24-21(27-19)26-16-11-25-28(13-16)17-7-8-17/h11-15,17H,1-10H2,(H,23,29)(H2,22,24,26,27)","PLHGRDHBKJDBAW-UHFFFAOYSA-N",null,130]
[33633,"7lqv_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401917","CCn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C20H29N7O/c1-2-27-13-16(11-24-27)25-20-23-12-17(14-7-8-14)18(26-20)21-9-4-10-22-19(28)15-5-3-6-15/h11-15H,2-10H2,1H3,(H,22,28)(H2,21,23,25,26)","ATGOJZIHHQXMBT-UHFFFAOYSA-N",null,140]
[33634,"7lqv_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401927","O=C(NCCCNc1nc(Nc2ccc(cc2)-n2cncn2)ncc1C1CC1)C1CCC1","InChI=1S/C23H28N8O/c32-22(17-3-1-4-17)26-12-2-11-25-21-20(16-5-6-16)13-27-23(30-21)29-18-7-9-19(10-8-18)31-15-24-14-28-31/h7-10,13-17H,1-6,11-12H2,(H,26,32)(H2,25,27,29,30)","UNJQFYGCPVIKPA-UHFFFAOYSA-N",null,150]
[33635,"7lqv_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401899","Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25)","YOFJPZPGHXWQJB-UHFFFAOYSA-N",null,170]
[33636,"7lqv_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401915","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCC2)ncc1C1CC1)C1CCC1","InChI=1S/C22H31N7O/c30-21(16-4-1-5-16)24-11-3-10-23-20-19(15-8-9-15)13-25-22(28-20)27-17-12-26-29(14-17)18-6-2-7-18/h12-16,18H,1-11H2,(H,24,30)(H2,23,25,27,28)","WFLUXPNQSNOSDL-UHFFFAOYSA-N",null,220]
[33637,"7lqv_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401913","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O2/c31-22(17-3-1-4-17)25-10-2-9-24-21-20(16-5-6-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-11-32-12-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BPUHLRZXPRJIDO-UHFFFAOYSA-N",null,280]
[33638,"7lqv_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401921","Cn1ncc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C23H29N7O/c1-30-20-9-8-18(12-17(20)13-27-30)28-23-26-14-19(15-6-7-15)21(29-23)24-10-3-11-25-22(31)16-4-2-5-16/h8-9,12-16H,2-7,10-11H2,1H3,(H,25,31)(H2,24,26,28,29)","ZWBYSALZHQDDEL-UHFFFAOYSA-N",null,380]
[33639,"7lqv_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401925","O=C(NCCCNc1nc(Nc2ccc(nc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C24H33N7O2/c32-23(18-3-1-4-18)26-10-2-9-25-22-20(17-5-6-17)16-28-24(30-22)29-19-7-8-21(27-15-19)31-11-13-33-14-12-31/h7-8,15-18H,1-6,9-14H2,(H,26,32)(H2,25,28,29,30)","OGBCWLLWFKPBKH-UHFFFAOYSA-N",null,490]
[33640,"7lqv_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401902","CN(C)Cc1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C24H34N6O/c1-30(2)16-17-7-11-20(12-8-17)28-24-27-15-21(18-9-10-18)22(29-24)25-13-4-14-26-23(31)19-5-3-6-19/h7-8,11-12,15,18-19H,3-6,9-10,13-14,16H2,1-2H3,(H,26,31)(H2,25,27,28,29)","FVHHRIHFFRQXRD-UHFFFAOYSA-N",null,550]
[33641,"7lqv_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401905","O=C(NCCCNc1nc(Nc2cccc(c2)-c2cnco2)ncc1C1CC1)C1CCC1","InChI=1S/C24H28N6O2/c31-23(17-4-1-5-17)27-11-3-10-26-22-20(16-8-9-16)13-28-24(30-22)29-19-7-2-6-18(12-19)21-14-25-15-32-21/h2,6-7,12-17H,1,3-5,8-11H2,(H,27,31)(H2,26,28,29,30)","DHEGBWHMLXDRTE-UHFFFAOYSA-N",null,560]
[33642,"7lqv_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401922","O=C(NCCCNc1nc(Nc2ccc3CCN(Cc3c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C27H36N6O/c34-26(20-3-1-4-20)29-13-2-12-28-25-24(19-5-6-19)16-30-27(32-25)31-22-8-7-18-11-14-33(23-9-10-23)17-21(18)15-22/h7-8,15-16,19-20,23H,1-6,9-14,17H2,(H,29,34)(H2,28,30,31,32)","MDSQSUYVBCKIKT-UHFFFAOYSA-N",null,570]
[33643,"7lqv_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401904","O=C(NCCCNc1nc(Nc2cccc(c2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-4-1-5-19)27-11-3-10-26-23-22(18-8-9-18)17-28-25(30-23)29-20-6-2-7-21(16-20)31-12-14-33-15-13-31/h2,6-7,16-19H,1,3-5,8-15H2,(H,27,32)(H2,26,28,29,30)","IBJXOEFBZCQHEA-UHFFFAOYSA-N",null,580]
[33644,"7lqv_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401901","CN1CCC(CC1)c1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C27H38N6O/c1-33-16-12-20(13-17-33)19-8-10-23(11-9-19)31-27-30-18-24(21-6-7-21)25(32-27)28-14-3-15-29-26(34)22-4-2-5-22/h8-11,18,20-22H,2-7,12-17H2,1H3,(H,29,34)(H2,28,30,31,32)","KDVSDCOOYFNFIM-UHFFFAOYSA-N",null,660]
[33645,"7lqv_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401926","O=C(NCCCNc1nc(Nc2cccnc2)ncc1C1CC1)C1CCC1","InChI=1S/C20H26N6O/c27-19(15-4-1-5-15)23-11-3-10-22-18-17(14-7-8-14)13-24-20(26-18)25-16-6-2-9-21-12-16/h2,6,9,12-15H,1,3-5,7-8,10-11H2,(H,23,27)(H2,22,24,25,26)","DAAZPAUBEVGXFD-UHFFFAOYSA-N",null,">1000"]
[33646,"7lqv_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401924","O=C(NCCCNc1nc(Nc2ccc(CN3CCCCC3)nc2)ncc1C1CC1)C1CCC1","InChI=1S/C26H37N7O/c34-25(20-6-4-7-20)28-13-5-12-27-24-23(19-8-9-19)17-30-26(32-24)31-21-10-11-22(29-16-21)18-33-14-2-1-3-15-33/h10-11,16-17,19-20H,1-9,12-15,18H2,(H,28,34)(H2,27,30,31,32)","YMKUQCYWRPVRGE-UHFFFAOYSA-N",null,1200]
[33647,"7lqv_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401906","Fc1cccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)c1","InChI=1S/C21H26FN5O/c22-16-6-2-7-17(12-16)26-21-25-13-18(14-8-9-14)19(27-21)23-10-3-11-24-20(28)15-4-1-5-15/h2,6-7,12-15H,1,3-5,8-11H2,(H,24,28)(H2,23,25,26,27)","URECOWLJWSLQCN-UHFFFAOYSA-N",null,1300]
[33648,"7lqv_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401911","CC(C)N1CCC(CC1)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C26H40N8O/c1-18(2)33-13-9-22(10-14-33)34-17-21(15-30-34)31-26-29-16-23(19-7-8-19)24(32-26)27-11-4-12-28-25(35)20-5-3-6-20/h15-20,22H,3-14H2,1-2H3,(H,28,35)(H2,27,29,31,32)","MJCWEXGCJMNQGR-UHFFFAOYSA-N",null,3000]
[33649,"7lqv_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401912","O=C(NCCCNc1nc(Nc2cnn(CCN3CCOCC3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H36N8O2/c33-23(19-3-1-4-19)26-8-2-7-25-22-21(18-5-6-18)16-27-24(30-22)29-20-15-28-32(17-20)10-9-31-11-13-34-14-12-31/h15-19H,1-14H2,(H,26,33)(H2,25,27,29,30)","OOXCKYWNRURMMA-UHFFFAOYSA-N",null,9000]
[33650,"7lqw_E",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401900","O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30)","CJPMSUUANYLPET-UHFFFAOYSA-N",null,58]
[33651,"7lqw_E",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401918","CC(C)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C21H31N7O/c1-14(2)28-13-17(11-25-28)26-21-24-12-18(15-7-8-15)19(27-21)22-9-4-10-23-20(29)16-5-3-6-16/h11-16H,3-10H2,1-2H3,(H,23,29)(H2,22,24,26,27)","MLWMBKMQVQOSSC-UHFFFAOYSA-N",null,81]
[33652,"7lqw_E",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401903","O=C(NCCCNc1nc(Nc2cccc(Cn3cncn3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H30N8O/c33-23(19-5-2-6-19)27-11-3-10-26-22-21(18-8-9-18)13-28-24(31-22)30-20-7-1-4-17(12-20)14-32-16-25-15-29-32/h1,4,7,12-13,15-16,18-19H,2-3,5-6,8-11,14H2,(H,27,33)(H2,26,28,30,31)","GDYSINUURRPNLP-UHFFFAOYSA-N",null,88]
[33653,"7lqw_E",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401920","Cc1nn(C)c2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C24H31N7O/c1-15-19-10-9-18(13-21(19)31(2)30-15)28-24-27-14-20(16-7-8-16)22(29-24)25-11-4-12-26-23(32)17-5-3-6-17/h9-10,13-14,16-17H,3-8,11-12H2,1-2H3,(H,26,32)(H2,25,27,28,29)","YQQIVRZPQZTHDO-UHFFFAOYSA-N",null,90]
[33654,"7lqw_E",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401914","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O/c31-22(17-5-3-6-17)25-12-4-11-24-21-20(16-9-10-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-1-2-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BGULRIZNMKERDJ-UHFFFAOYSA-N",null,93]
[33655,"7lqw_E",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401916","O=C(NCCCNc1nc(Nc2cnn(c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C21H29N7O/c29-20(15-3-1-4-15)23-10-2-9-22-19-18(14-5-6-14)12-24-21(27-19)26-16-11-25-28(13-16)17-7-8-17/h11-15,17H,1-10H2,(H,23,29)(H2,22,24,26,27)","PLHGRDHBKJDBAW-UHFFFAOYSA-N",null,130]
[33656,"7lqw_E",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401917","CCn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C20H29N7O/c1-2-27-13-16(11-24-27)25-20-23-12-17(14-7-8-14)18(26-20)21-9-4-10-22-19(28)15-5-3-6-15/h11-15H,2-10H2,1H3,(H,22,28)(H2,21,23,25,26)","ATGOJZIHHQXMBT-UHFFFAOYSA-N",null,140]
[33657,"7lqw_E",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401927","O=C(NCCCNc1nc(Nc2ccc(cc2)-n2cncn2)ncc1C1CC1)C1CCC1","InChI=1S/C23H28N8O/c32-22(17-3-1-4-17)26-12-2-11-25-21-20(16-5-6-16)13-27-23(30-21)29-18-7-9-19(10-8-18)31-15-24-14-28-31/h7-10,13-17H,1-6,11-12H2,(H,26,32)(H2,25,27,29,30)","UNJQFYGCPVIKPA-UHFFFAOYSA-N",null,150]
[33658,"7lqw_E",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401899","Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25)","YOFJPZPGHXWQJB-UHFFFAOYSA-N",null,170]
[33659,"7lqw_E",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401915","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCC2)ncc1C1CC1)C1CCC1","InChI=1S/C22H31N7O/c30-21(16-4-1-5-16)24-11-3-10-23-20-19(15-8-9-15)13-25-22(28-20)27-17-12-26-29(14-17)18-6-2-7-18/h12-16,18H,1-11H2,(H,24,30)(H2,23,25,27,28)","WFLUXPNQSNOSDL-UHFFFAOYSA-N",null,220]
[33660,"7lqw_E",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401913","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O2/c31-22(17-3-1-4-17)25-10-2-9-24-21-20(16-5-6-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-11-32-12-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BPUHLRZXPRJIDO-UHFFFAOYSA-N",null,280]
[33661,"7lqw_E",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401921","Cn1ncc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C23H29N7O/c1-30-20-9-8-18(12-17(20)13-27-30)28-23-26-14-19(15-6-7-15)21(29-23)24-10-3-11-25-22(31)16-4-2-5-16/h8-9,12-16H,2-7,10-11H2,1H3,(H,25,31)(H2,24,26,28,29)","ZWBYSALZHQDDEL-UHFFFAOYSA-N",null,380]
[33662,"7lqw_E",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401925","O=C(NCCCNc1nc(Nc2ccc(nc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C24H33N7O2/c32-23(18-3-1-4-18)26-10-2-9-25-22-20(17-5-6-17)16-28-24(30-22)29-19-7-8-21(27-15-19)31-11-13-33-14-12-31/h7-8,15-18H,1-6,9-14H2,(H,26,32)(H2,25,28,29,30)","OGBCWLLWFKPBKH-UHFFFAOYSA-N",null,490]
[33663,"7lqw_E",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401902","CN(C)Cc1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C24H34N6O/c1-30(2)16-17-7-11-20(12-8-17)28-24-27-15-21(18-9-10-18)22(29-24)25-13-4-14-26-23(31)19-5-3-6-19/h7-8,11-12,15,18-19H,3-6,9-10,13-14,16H2,1-2H3,(H,26,31)(H2,25,27,28,29)","FVHHRIHFFRQXRD-UHFFFAOYSA-N",null,550]
[33664,"7lqw_E",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401905","O=C(NCCCNc1nc(Nc2cccc(c2)-c2cnco2)ncc1C1CC1)C1CCC1","InChI=1S/C24H28N6O2/c31-23(17-4-1-5-17)27-11-3-10-26-22-20(16-8-9-16)13-28-24(30-22)29-19-7-2-6-18(12-19)21-14-25-15-32-21/h2,6-7,12-17H,1,3-5,8-11H2,(H,27,31)(H2,26,28,29,30)","DHEGBWHMLXDRTE-UHFFFAOYSA-N",null,560]
[33665,"7lqw_E",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401922","O=C(NCCCNc1nc(Nc2ccc3CCN(Cc3c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C27H36N6O/c34-26(20-3-1-4-20)29-13-2-12-28-25-24(19-5-6-19)16-30-27(32-25)31-22-8-7-18-11-14-33(23-9-10-23)17-21(18)15-22/h7-8,15-16,19-20,23H,1-6,9-14,17H2,(H,29,34)(H2,28,30,31,32)","MDSQSUYVBCKIKT-UHFFFAOYSA-N",null,570]
[33666,"7lqw_E",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401904","O=C(NCCCNc1nc(Nc2cccc(c2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-4-1-5-19)27-11-3-10-26-23-22(18-8-9-18)17-28-25(30-23)29-20-6-2-7-21(16-20)31-12-14-33-15-13-31/h2,6-7,16-19H,1,3-5,8-15H2,(H,27,32)(H2,26,28,29,30)","IBJXOEFBZCQHEA-UHFFFAOYSA-N",null,580]
[33667,"7lqw_E",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401901","CN1CCC(CC1)c1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C27H38N6O/c1-33-16-12-20(13-17-33)19-8-10-23(11-9-19)31-27-30-18-24(21-6-7-21)25(32-27)28-14-3-15-29-26(34)22-4-2-5-22/h8-11,18,20-22H,2-7,12-17H2,1H3,(H,29,34)(H2,28,30,31,32)","KDVSDCOOYFNFIM-UHFFFAOYSA-N",null,660]
[33668,"7lqw_E",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401926","O=C(NCCCNc1nc(Nc2cccnc2)ncc1C1CC1)C1CCC1","InChI=1S/C20H26N6O/c27-19(15-4-1-5-15)23-11-3-10-22-18-17(14-7-8-14)13-24-20(26-18)25-16-6-2-9-21-12-16/h2,6,9,12-15H,1,3-5,7-8,10-11H2,(H,23,27)(H2,22,24,25,26)","DAAZPAUBEVGXFD-UHFFFAOYSA-N",null,">1000"]
[33669,"7lqw_E",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401924","O=C(NCCCNc1nc(Nc2ccc(CN3CCCCC3)nc2)ncc1C1CC1)C1CCC1","InChI=1S/C26H37N7O/c34-25(20-6-4-7-20)28-13-5-12-27-24-23(19-8-9-19)17-30-26(32-24)31-21-10-11-22(29-16-21)18-33-14-2-1-3-15-33/h10-11,16-17,19-20H,1-9,12-15,18H2,(H,28,34)(H2,27,30,31,32)","YMKUQCYWRPVRGE-UHFFFAOYSA-N",null,1200]
[33670,"7lqw_E",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401906","Fc1cccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)c1","InChI=1S/C21H26FN5O/c22-16-6-2-7-17(12-16)26-21-25-13-18(14-8-9-14)19(27-21)23-10-3-11-24-20(28)15-4-1-5-15/h2,6-7,12-15H,1,3-5,8-11H2,(H,24,28)(H2,23,25,26,27)","URECOWLJWSLQCN-UHFFFAOYSA-N",null,1300]
[33671,"7lqw_E",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401911","CC(C)N1CCC(CC1)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C26H40N8O/c1-18(2)33-13-9-22(10-14-33)34-17-21(15-30-34)31-26-29-16-23(19-7-8-19)24(32-26)27-11-4-12-28-25(35)20-5-3-6-20/h15-20,22H,3-14H2,1-2H3,(H,28,35)(H2,27,29,31,32)","MJCWEXGCJMNQGR-UHFFFAOYSA-N",null,3000]
[33672,"7lqw_E",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401912","O=C(NCCCNc1nc(Nc2cnn(CCN3CCOCC3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H36N8O2/c33-23(19-3-1-4-19)26-8-2-7-25-22-21(18-5-6-18)16-27-24(30-22)29-20-15-28-32(17-20)10-9-31-11-13-34-14-12-31/h15-19H,1-14H2,(H,26,33)(H2,25,27,29,30)","OOXCKYWNRURMMA-UHFFFAOYSA-N",null,9000]

{"sheet":"bm_final","index":1,"n_rows":6922,"n_cols":19,"rows_kept":6922}
["Table S2. Subset with pairwise alignment score of 50% or higher"]
["DrugID","bnum","pcode","th","ptype","target","host","bname","smile","Ligand InChl","Ligand InChl Key","ki","ic50","kd","ec50","kon","koff","ph","tmp"]
["D10000",3896,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66817","BrCC(=O)Nc1c2CSCc2nn1-c1ccccc1","InChI=1S/C13H12BrN3OS/c14-6-12(18)15-13-10-7-19-8-11(10)16-17(13)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,15,18)","UVYKHQVJLYPQHW-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10001",4747,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66671","Brc1cc(Br)c2nc(NC(=O)c3ccco3)sc(=O)c2c1","InChI=1S/C13H6Br2N2O3S/c14-6-4-7-10(8(15)5-6)16-13(21-12(7)19)17-11(18)9-2-1-3-20-9/h1-5H,(H,16,17,18)","YRYLDBALBPBKPD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10002",4279,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM41071","Brc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1OCC(=O)Nc1ccccc1","InChI=1S/C24H18BrN3O4/c25-19-12-16(10-11-21(19)31-15-23(29)27-18-7-2-1-3-8-18)14-26-28-24(30)22-13-17-6-4-5-9-20(17)32-22/h1-14H,15H2,(H,27,29)(H,28,30)","BIOLJPLPUJUMME-UHFFFAOYSA-N",{"$nulls":3},31150]
["D10003",12206,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87305","Brc1cc(\\C=N\\NC(=O)c2ccncc2)sc1Br","InChI=1S/C11H7Br2N3OS/c12-9-5-8(18-10(9)13)6-15-16-11(17)7-1-3-14-4-2-7/h1-6H,(H,16,17)/b15-6+","FGVWQPVNYBYARX-GIDUJCDVSA-N",null,8672]
["D10004",4523,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66482","Brc1ccc(C=CC(=O)c2ccc(cc2)N=C2NCCCS2)cc1","InChI=1S/C19H17BrN2OS/c20-16-7-2-14(3-8-16)4-11-18(23)15-5-9-17(10-6-15)22-19-21-12-1-13-24-19/h2-11H,1,12-13H2,(H,21,22)","XSQFTNDEPKEMJK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10005",3828,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66756","Brc1ccc(CN2CCN(Cc3c[nH]c4ccccc34)CC2)cc1","InChI=1S/C20H22BrN3/c21-18-7-5-16(6-8-18)14-23-9-11-24(12-10-23)15-17-13-22-20-4-2-1-3-19(17)20/h1-8,13,22H,9-12,14-15H2","WCGNEUNDEPMGTB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10006",3899,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66820","Brc1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1","InChI=1S/C19H22BrN3O/c20-17-6-8-18(9-7-17)21-19(24)15-23-12-10-22(11-13-23)14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,21,24)","YXOLQXALPKEGRI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10007",4562,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66514","Brc1ccc(NC(=O)c2cccc3C(=O)c4ccccc4-c23)nc1","InChI=1S/C19H11BrN2O2/c20-11-8-9-16(21-10-11)22-19(24)15-7-3-6-14-17(15)12-4-1-2-5-13(12)18(14)23/h1-10H,(H,21,22,24)","HEOPNYKTUBJTEO-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10008",11941,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43074","Brc1ccc(\\C=N\\c2ccc(Nc3ccccc3)cc2)s1","InChI=1S/C17H13BrN2S/c18-17-11-10-16(21-17)12-19-13-6-8-15(9-7-13)20-14-4-2-1-3-5-14/h1-12,20H/b19-12+","FDWISOQOYCHXRK-XDHOZWIPSA-N",{"$nulls":3},">79370"]
["D10009",12053,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43184","Brc1ccc(cc1)-c1csc(N=NCc2ccco2)n1","InChI=1S/C14H10BrN3OS/c15-11-5-3-10(4-6-11)13-9-20-14(17-13)18-16-8-12-2-1-7-19-12/h1-7,9H,8H2","BZRGJDDJAGCDDR-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D10010",12429,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42945","Brc1ccc(cc1)-c1nnc(SC2CCOC2=O)o1","InChI=1S/C12H9BrN2O3S/c13-8-3-1-7(2-4-8)10-14-15-12(18-10)19-9-5-6-17-11(9)16/h1-4,9H,5-6H2","VWCCKYYBZXSZBT-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D10011",11992,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43124","Brc1ccc(cc1)-n1c(CNC(=O)c2ccc(cc2)S(=O)(=O)N2CCOCC2)n[nH]c1=S","InChI=1S/C20H20BrN5O4S2/c21-15-3-5-16(6-4-15)26-18(23-24-20(26)31)13-22-19(27)14-1-7-17(8-2-14)32(28,29)25-9-11-30-12-10-25/h1-8H,9-13H2,(H,22,27)(H,24,31)","ABDVEOPHZQNOSW-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D10012",4309,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66407","Brc1ccc(cc1)C(=C/c1ccc(o1)N1CCOCC1)\\C#N","InChI=1S/C17H15BrN2O2/c18-15-3-1-13(2-4-15)14(12-19)11-16-5-6-17(22-16)20-7-9-21-10-8-20/h1-6,11H,7-10H2/b14-11-","RCXZTYORGXAGQA-KAMYIIQDSA-N",{"$nulls":3},">350000"]
["D10013",4115,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67002","Brc1ccc(cc1)C(=O)NCC(=O)NC1CC1","InChI=1S/C12H13BrN2O2/c13-9-3-1-8(2-4-9)12(17)14-7-11(16)15-10-5-6-10/h1-4,10H,5-7H2,(H,14,17)(H,15,16)","JTZSTPPBIOZXGZ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10014",32293,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446018","Brc1ccc(cc1)N1CCN(CC1)C(=O)N1CCOCC1","InChI=1S/C15H20BrN3O2/c16-13-1-3-14(4-2-13)17-5-7-18(8-6-17)15(20)19-9-11-21-12-10-19/h1-4H,5-12H2","ZWNJUVJNMFWDPS-UHFFFAOYSA-N",null,">30000"]
["D10015",3993,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66897","Brc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NCC1CCCO1","InChI=1S/C17H23BrN2O4S/c18-14-3-5-16(6-4-14)25(22,23)20-9-7-13(8-10-20)17(21)19-12-15-2-1-11-24-15/h3-6,13,15H,1-2,7-12H2,(H,19,21)","LIWYNOZMEPWZLB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10016",32284,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446013","Brc1ccc(nc1)N1CCN(CC1)C(=O)N1CCOCC1","InChI=1S/C14H19BrN4O2/c15-12-1-2-13(16-11-12)17-3-5-18(6-4-17)14(20)19-7-9-21-10-8-19/h1-2,11H,3-10H2","GSDQFDQHPRPTMW-UHFFFAOYSA-N",null,">30000"]
["D10017",12006,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43137","Brc1ccc(o1)C(=O)NC(=S)Nc1ccccc1","InChI=1S/C12H9BrN2O2S/c13-10-7-6-9(17-10)11(16)15-12(18)14-8-4-2-1-3-5-8/h1-7H,(H2,14,15,16,18)","UDPRZVCDOIRPSE-UHFFFAOYSA-N",{"$nulls":3},19890]
["D10018",32120,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46411","Brc1ccc2C(=O)N(C(=O)c2c1)c1ccc(Cc2ccncc2)cc1","InChI=1S/C20H13BrN2O2/c21-15-3-6-17-18(12-15)20(25)23(19(17)24)16-4-1-13(2-5-16)11-14-7-9-22-10-8-14/h1-10,12H,11H2","AEVYLJIUBXCPPJ-UHFFFAOYSA-N",null,">55700"]
["D10019",28739,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50275049","Brc1ccc2CCCC(Nc3nc4ccccc4[nH]3)c2c1","InChI=1S/C17H16BrN3/c18-12-9-8-11-4-3-7-14(13(11)10-12)19-17-20-15-5-1-2-6-16(15)21-17/h1-2,5-6,8-10,14H,3-4,7H2,(H2,19,20,21)","YZTVKYVCOFHLKO-UHFFFAOYSA-N",null,null,11]
["D10020",31846,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM36898","Brc1ccc2[nH]c3c(ncnc3c2c1)N1CCN(CC1)C(=O)c1ccco1","InChI=1S/C19H16BrN5O2/c20-12-3-4-14-13(10-12)16-17(23-14)18(22-11-21-16)24-5-7-25(8-6-24)19(26)15-2-1-9-27-15/h1-4,9-11,23H,5-8H2","YMXKKZXNMOGQGM-UHFFFAOYSA-N",null,23610]
["D10021",32053,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43950","Brc1ccc2nc(sc2c1)N1CCC(CC1)C(=O)N1CCC2(CC1)OCCO2","InChI=1S/C20H24BrN3O3S/c21-15-1-2-16-17(13-15)28-19(22-16)24-7-3-14(4-8-24)18(25)23-9-5-20(6-10-23)26-11-12-27-20/h1-2,13-14H,3-12H2","PUYUEZYEZDGPGV-UHFFFAOYSA-N",null,">55700"]
["D10022",11794,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM50257750","Brc1ccc2ncnc(NCC=C)c2c1","InChI=1S/C11H10BrN3/c1-2-5-13-11-9-6-8(12)3-4-10(9)14-7-15-11/h2-4,6-7H,1,5H2,(H,13,14,15)","BCPOLXUSCUFDGE-UHFFFAOYSA-N",null,2299]
["D10023",4530,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66488","Brc1cccc(c1)-c1cc(C(=O)NN=Cc2ccco2)c2ccccc2n1","InChI=1S/C21H14BrN3O2/c22-15-6-3-5-14(11-15)20-12-18(17-8-1-2-9-19(17)24-20)21(26)25-23-13-16-7-4-10-27-16/h1-13H,(H,25,26)","KVQFATWUVCEUNI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10024",4311,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66409","Brc1cccc(c1)C(=O)NN=C1c2ccccc2-c2ccccc12","InChI=1S/C20H13BrN2O/c21-14-7-5-6-13(12-14)20(24)23-22-19-17-10-3-1-8-15(17)16-9-2-4-11-18(16)19/h1-12H,(H,23,24)","IXDPBJGHJPDOSH-UHFFFAOYSA-N",{"$nulls":3},51740]
["D10025",3890,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66811","Brc1ccccc1C(=O)N(Cc1ccccc1)c1ccccc1","InChI=1S/C20H16BrNO/c21-19-14-8-7-13-18(19)20(23)22(17-11-5-2-6-12-17)15-16-9-3-1-4-10-16/h1-14H,15H2","NYMWERVPUKCCEP-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10026",4202,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67085","Brc1ccccc1C(=O)OCC(=O)NC1CCCCCCC1","InChI=1S/C17H22BrNO3/c18-15-11-7-6-10-14(15)17(21)22-12-16(20)19-13-8-4-2-1-3-5-9-13/h6-7,10-11,13H,1-5,8-9,12H2,(H,19,20)","RIEVBBVOVFWUCF-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10027",4787,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66706","Brc1ccccc1NC(=O)C(=O)NN=Cc1ccc(CNC(=O)C(=O)Nc2ccccc2)o1","InChI=1S/C22H18BrN5O5/c23-17-8-4-5-9-18(17)27-21(31)22(32)28-25-13-16-11-10-15(33-16)12-24-19(29)20(30)26-14-6-2-1-3-7-14/h1-11,13H,12H2,(H,24,29)(H,26,30)(H,27,31)(H,28,32)","FYFHMMUVFIYJRC-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10028",14803,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50401910","Brc1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)c1cccs1","InChI=1S/C23H26BrN7O2S/c24-18-15-27-22(30-20(18)25-9-5-10-26-21(32)19-8-4-13-34-19)28-16-6-3-7-17(14-16)29-23(33)31-11-1-2-12-31/h3-4,6-8,13-15H,1-2,5,9-12H2,(H,26,32)(H,29,33)(H2,25,27,28,30)","DLUFUVCAUGKHRL-UHFFFAOYSA-N",null,6]
["D10029",16994,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379377","Brc1cnc2nc([nH]c2c1NC1CCCC1)-c1ccc(OCCN2CCCCC2)cc1","InChI=1S/C24H30BrN5O/c25-20-16-26-24-22(21(20)27-18-6-2-3-7-18)28-23(29-24)17-8-10-19(11-9-17)31-15-14-30-12-4-1-5-13-30/h8-11,16,18H,1-7,12-15H2,(H2,26,27,28,29)","BYBRKTGRHXTQLX-UHFFFAOYSA-N",null,1220]
["D10030",16227,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379370","Brc1cnc2nc([nH]c2c1NCC1CCNCC1)-c1ccc(OCCN2CCCCC2)cc1","InChI=1S/C25H33BrN6O/c26-21-17-29-25-23(22(21)28-16-18-8-10-27-11-9-18)30-24(31-25)19-4-6-20(7-5-19)33-15-14-32-12-2-1-3-13-32/h4-7,17-18,27H,1-3,8-16H2,(H2,28,29,30,31)","BRHAIUXYHUZNFP-UHFFFAOYSA-N",null,105]
["D10031",16677,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379371","Brc1cnc2nc([nH]c2c1NCCC1CCNCC1)-c1ccc(OCCN2CCCCC2)cc1","InChI=1S/C26H35BrN6O/c27-22-18-30-26-24(23(22)29-13-10-19-8-11-28-12-9-19)31-25(32-26)20-4-6-21(7-5-20)34-17-16-33-14-2-1-3-15-33/h4-7,18-19,28H,1-3,8-17H2,(H2,29,30,31,32)","PBIZHXWVUCRCKS-UHFFFAOYSA-N",null,468]
["D10032",14612,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379363","Brc1cnc2nc([nH]c2c1NCCCNC(=O)C1CCC1)-c1ccc(OCCN2CCCCC2)cc1","InChI=1S/C27H35BrN6O2/c28-22-18-31-26-24(23(22)29-12-5-13-30-27(35)20-6-4-7-20)32-25(33-26)19-8-10-21(11-9-19)36-17-16-34-14-2-1-3-15-34/h8-11,18,20H,1-7,12-17H2,(H,30,35)(H2,29,31,32,33)","HYCRTUWVJJGNKA-UHFFFAOYSA-N",null,4]
["D10033",4529,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66487","Brc1cncc(c1)C(=O)NCc1ccccc1","InChI=1S/C13H11BrN2O/c14-12-6-11(8-15-9-12)13(17)16-7-10-4-2-1-3-5-10/h1-6,8-9H,7H2,(H,16,17)","CTVYYGDKDNYJPO-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10034",12107,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87282","Brc1cncc(c1)C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1","InChI=1S/C18H18BrN3O4/c19-14-9-13(10-20-11-14)18(24)21-15-1-3-16(4-2-15)26-12-17(23)22-5-7-25-8-6-22/h1-4,9-11H,5-8,12H2,(H,21,24)","JJKCBRXJDPHTQQ-UHFFFAOYSA-N",null,4430]
["D10035",11821,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM39573","Brc1cncc(c1)C(=O)Nc1ccc(cc1)N1CCCCC1","InChI=1S/C17H18BrN3O/c18-14-10-13(11-19-12-14)17(22)20-15-4-6-16(7-5-15)21-8-2-1-3-9-21/h4-7,10-12H,1-3,8-9H2,(H,20,22)","CDLXJHORIARGIH-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D10036",35,"7dx1_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM61402","C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1","InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2","CYXKNKQEMFBLER-UHFFFAOYSA-N",null,72800]
["D10037",26057,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1/alpha-1B/alpha-2/delta-1","Rattus norvegicus","BDBM50481852","C(C(c1ccccc1)c1ccccc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1","InChI=1S/C31H32N2/c1-5-13-26(14-6-1)30(27-15-7-2-8-16-27)25-32-21-23-33(24-22-32)31(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,30-31H,21-25H2","HIAHXCOPTVPERH-UHFFFAOYSA-N",null,">50000"]
["D10038",32060,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM37339","C(C(c1ccccc1)c1ccccc1)c1nc(no1)-c1ccncc1","InChI=1S/C21H17N3O/c1-3-7-16(8-4-1)19(17-9-5-2-6-10-17)15-20-23-21(24-25-20)18-11-13-22-14-12-18/h1-14,19H,15H2","JYPYYFFRWXFBTB-UHFFFAOYSA-N",null,">55700"]
["D10039",32131,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46423","C(C1CCN(CC1)c1ncnc2sccc12)c1ccccc1","InChI=1S/C18H19N3S/c1-2-4-14(5-3-1)12-15-6-9-21(10-7-15)17-16-8-11-22-18(16)20-13-19-17/h1-5,8,11,13,15H,6-7,9-10,12H2","AJQCKNBBHOVJGO-UHFFFAOYSA-N",null,">55700"]
["D10040",26049,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1/alpha-1B/alpha-2/delta-1","Rattus norvegicus","BDBM50481854","C(CC(c1ccccc1)c1ccccc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1","InChI=1S/C33H36N2/c1-5-14-28(15-6-1)32(29-16-7-2-8-17-29)22-13-23-34-24-26-35(27-25-34)33(30-18-9-3-10-19-30)31-20-11-4-12-21-31/h1-12,14-21,32-33H,13,22-27H2","MICPQZJRSOUTGV-UHFFFAOYSA-N",null,6000]
["D10041",26056,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1/alpha-1B/alpha-2/delta-1","Rattus norvegicus","BDBM50481855","C(CCC(c1ccccc1)c1ccccc1)CCN1CCN(CC1)C(c1ccccc1)c1ccccc1","InChI=1S/C35H40N2/c1-6-16-30(17-7-1)34(31-18-8-2-9-19-31)24-14-5-15-25-36-26-28-37(29-27-36)35(32-20-10-3-11-21-32)33-22-12-4-13-23-33/h1-4,6-13,16-23,34-35H,5,14-15,24-29H2","PIRRXQFOIGSAFB-UHFFFAOYSA-N",null,50000]
["D10042",25764,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50470932","C(CCCCCCc1ccnc2ccccc12)CCCCCc1ccnc2ccccc12","InChI=1S/C30H36N2/c1(3-5-7-9-15-25-21-23-31-29-19-13-11-17-27(25)29)2-4-6-8-10-16-26-22-24-32-30-20-14-12-18-28(26)30/h11-14,17-24H,1-10,15-16H2","SEABZFOPXLVTGV-UHFFFAOYSA-N",null,">10000"]
["D10043",25753,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM10455","C(CCCCCNc1ccnc2ccccc12)CCCCNc1ccnc2ccccc12","InChI=1S/C28H34N4/c1(3-5-11-19-29-27-17-21-31-25-15-9-7-13-23(25)27)2-4-6-12-20-30-28-18-22-32-26-16-10-8-14-24(26)28/h7-10,13-18,21-22H,1-6,11-12,19-20H2,(H,29,31)(H,30,32)","LTCUGTXKTQPZNT-UHFFFAOYSA-N",null,4400]
["D10044",25769,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50470939","C(CCCCCOc1ccnc2ccccc12)CCCCOc1ccnc2ccccc12","InChI=1S/C28H32N2O2/c1(3-5-11-21-31-27-17-19-29-25-15-9-7-13-23(25)27)2-4-6-12-22-32-28-18-20-30-26-16-10-8-14-24(26)28/h7-10,13-20H,1-6,11-12,21-22H2","LAJYHBHQACMLLZ-UHFFFAOYSA-N",null,18000]
["D10045",25763,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50470935","C(CCCCCSc1ccnc2ccccc12)CCCCSc1ccnc2ccccc12","InChI=1S/C28H32N2S2/c1(3-5-11-21-31-27-17-19-29-25-15-9-7-13-23(25)27)2-4-6-12-22-32-28-18-20-30-26-16-10-8-14-24(26)28/h7-10,13-20H,1-6,11-12,21-22H2","PLDMZRSVGOEYQR-UHFFFAOYSA-N",null,">10000"]
["D10046",25721,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50470389","C(CCCCC[n+]1ccc(NCc2ccccc2)c2ccccc12)CCCC[n+]1ccc(NCc2ccccc2)c2ccccc12","InChI=1S/C42H46N4/c1(3-5-17-29-45-31-27-39(37-23-13-15-25-41(37)45)43-33-35-19-9-7-10-20-35)2-4-6-18-30-46-32-28-40(38-24-14-16-26-42(38)46)44-34-36-21-11-8-12-22-36/h7-16,19-28,31-32H,1-6,17-18,29-30,33-34H2/p+2","VCGTYQILGQPBTQ-UHFFFAOYSA-P",null,520]
["D10047",25740,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50470383","C(CCCCC[n+]1ccc(Nc2ccccc2)c2ccccc12)CCCC[n+]1ccc(Nc2ccccc2)c2ccccc12","InChI=1S/C40H42N4/c1(3-5-17-29-43-31-27-37(35-23-13-15-25-39(35)43)41-33-19-9-7-10-20-33)2-4-6-18-30-44-32-28-38(36-24-14-16-26-40(36)44)42-34-21-11-8-12-22-34/h7-16,19-28,31-32H,1-6,17-18,29-30H2/p+2","GRHAIWNRCIOJSD-UHFFFAOYSA-P",null,2400]
["D10048",25743,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50470385","C(CCCCC[n+]1ccc(Oc2ccccc2)c2ccccc12)CCCC[n+]1ccc(Oc2ccccc2)c2ccccc12","InChI=1S/C40H42N2O2/c1(3-5-17-29-41-31-27-39(35-23-13-15-25-37(35)41)43-33-19-9-7-10-20-33)2-4-6-18-30-42-32-28-40(36-24-14-16-26-38(36)42)44-34-21-11-8-12-22-34/h7-16,19-28,31-32H,1-6,17-18,29-30H2/q+2","JOFKOWQYAVSIQM-UHFFFAOYSA-N",null,2700]
["D10049",25771,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50119797","C(CCCCC[n+]1cccc2ccccc12)CCCC[n+]1cccc2ccccc12","InChI=1S/C28H34N2/c1(3-5-11-21-29-23-13-17-25-15-7-9-19-27(25)29)2-4-6-12-22-30-24-14-18-26-16-8-10-20-28(26)30/h7-10,13-20,23-24H,1-6,11-12,21-22H2/q+2","YZDRSBRUONQQBH-UHFFFAOYSA-N",null,21000]
["D10050",25725,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50048412","C(CCCCC\\[NH+]=c1/ccn(Cc2ccccc2)c2ccccc12)CCCC\\[NH+]=c1/ccn(Cc2ccccc2)c2ccccc12","InChI=1S/C42H46N4/c1(3-5-17-29-43-39-27-31-45(33-35-19-9-7-10-20-35)41-25-15-13-23-37(39)41)2-4-6-18-30-44-40-28-32-46(34-36-21-11-8-12-22-36)42-26-16-14-24-38(40)42/h7-16,19-28,31-32H,1-6,17-18,29-30,33-34H2/p+2/b43-39+,44-40+","JFTHHZLVWUKENE-UUHCYPSGSA-P",null,700]
["D10051",26051,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1/alpha-1B/alpha-2/delta-1","Rattus norvegicus","BDBM50481865","C(CCN1CCN(CC1)C(c1ccccc1)c1ccccc1)CC(c1ccccc1)c1ccccc1","InChI=1S/C34H38N2/c1-5-15-29(16-6-1)33(30-17-7-2-8-18-30)23-13-14-24-35-25-27-36(28-26-35)34(31-19-9-3-10-20-31)32-21-11-4-12-22-32/h1-12,15-22,33-34H,13-14,23-28H2","MSMMXPDNAAWHBC-UHFFFAOYSA-N",null,20000]
["D10052",28622,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50215076","C(CCNc1ccnc2ccccc12)CCN(CCCNc1ccnc2ccccc12)Cc1cc(OCCCNc2ccnc3ccccc23)cc(OCCCNc2ccnc3ccccc23)c1","InChI=1S/C57H61N9O2/c1(10-27-58-54-23-31-62-50-19-6-2-15-46(50)54)11-35-66(36-12-28-59-55-24-32-63-51-20-7-3-16-47(51)55)42-43-39-44(67-37-13-29-60-56-25-33-64-52-21-8-4-17-48(52)56)41-45(40-43)68-38-14-30-61-57-26-34-65-53-22-9-5-18-49(53)57/h2-9,15-26,31-34,39-41H,1,10-14,27-30,35-38,42H2,(H,58,62)(H,59,63)(H,60,64)(H,61,65)","RXXJAJBTBZAPIH-UHFFFAOYSA-N",null,130]
["D10053",28615,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50215071","C(CCNc1ccnc2ccccc12)CCN(CCCNc1ccnc2ccccc12)c1cc(OCCCNc2ccnc3ccccc23)cc(OCCCNc2ccnc3ccccc23)c1","InChI=1S/C56H59N9O2/c1(10-27-57-53-23-31-61-49-19-6-2-15-45(49)53)11-35-65(36-12-28-58-54-24-32-62-50-20-7-3-16-46(50)54)42-39-43(66-37-13-29-59-55-25-33-63-51-21-8-4-17-47(51)55)41-44(40-42)67-38-14-30-60-56-26-34-64-52-22-9-5-18-48(52)56/h2-9,15-26,31-34,39-41H,1,10-14,27-30,35-38H2,(H,57,61)(H,58,62)(H,59,63)(H,60,64)","CNXKHPWAPNKTFH-UHFFFAOYSA-N",null,93]
["D10054",4177,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67060","C(CN1CCCC1)Oc1ccc(cc1)-c1c(sc2ccccc12)-c1ccccc1","InChI=1S/C26H25NOS/c1-2-8-21(9-3-1)26-25(23-10-4-5-11-24(23)29-26)20-12-14-22(15-13-20)28-19-18-27-16-6-7-17-27/h1-5,8-15H,6-7,16-19H2","ZLJCFEHKTHXYOP-UHFFFAOYSA-N",{"$nulls":3},106900]
["D10055",26048,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1/alpha-1B/alpha-2/delta-1","Rattus norvegicus","BDBM50481853","C(CN1CCN(CC1)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1","InChI=1S/C32H34N2/c1-5-13-27(14-6-1)31(28-15-7-2-8-16-28)21-22-33-23-25-34(26-24-33)32(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-20,31-32H,21-26H2","CLZJJBZJUIWHJT-UHFFFAOYSA-N",null,5000]
["D10056",12190,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM4201","C(CN1CCOCC1)Nc1ncnc2scc(-c3ccccc3)c12","InChI=1S/C18H20N4OS/c1-2-4-14(5-3-1)15-12-24-18-16(15)17(20-13-21-18)19-6-7-22-8-10-23-11-9-22/h1-5,12-13H,6-11H2,(H,19,20,21)","KVWCBPNVVCHGEW-UHFFFAOYSA-N",null,8040]
["D10057",4176,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67059","C(CN1CCOCC1)Oc1ccc(cc1)-c1c(sc2ccccc12)-c1ccccc1","InChI=1S/C26H25NO2S/c1-2-6-21(7-3-1)26-25(23-8-4-5-9-24(23)30-26)20-10-12-22(13-11-20)29-19-16-27-14-17-28-18-15-27/h1-13H,14-19H2","GCSDETSBIAIBBS-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10058",28641,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50215068","C(CNCc1cc(OCCCNc2ccnc3ccccc23)cc(OCCCNc2ccnc3ccccc23)c1)CNc1ccnc2ccccc12","InChI=1S/C43H45N7O2/c1-4-13-38-35(10-1)41(16-23-48-38)45-20-7-19-44-31-32-28-33(51-26-8-21-46-42-17-24-49-39-14-5-2-11-36(39)42)30-34(29-32)52-27-9-22-47-43-18-25-50-40-15-6-3-12-37(40)43/h1-6,10-18,23-25,28-30,44H,7-9,19-22,26-27,31H2,(H,45,48)(H,46,49)(H,47,50)","JEPZSMPXHPFXIQ-UHFFFAOYSA-N",null,360]
["D10059",28633,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50215075","C(CNc1cc(OCCCNc2ccnc3ccccc23)cc(OCCCNc2ccnc3ccccc23)c1)CNc1ccnc2ccccc12","InChI=1S/C42H43N7O2/c1-4-13-37-34(10-1)40(16-23-47-37)44-20-7-19-43-31-28-32(50-26-8-21-45-41-17-24-48-38-14-5-2-11-35(38)41)30-33(29-31)51-27-9-22-46-42-18-25-49-39-15-6-3-12-36(39)42/h1-6,10-18,23-25,28-30,43H,7-9,19-22,26-27H2,(H,44,47)(H,45,48)(H,46,49)","LMDBEORWUFCLSK-UHFFFAOYSA-N",null,220]
["D10060",28637,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50215072","C(CNc1ccnc2ccccc12)COc1ccc(CCNc2ccnc3ccccc23)cc1OCCCNc1ccnc2ccccc12","InChI=1S/C41H40N6O2/c1-4-12-34-31(9-1)37(18-24-45-34)42-21-7-27-48-40-16-15-30(17-23-44-39-20-26-47-36-14-6-3-11-33(36)39)29-41(40)49-28-8-22-43-38-19-25-46-35-13-5-2-10-32(35)38/h1-6,9-16,18-20,24-26,29H,7-8,17,21-23,27-28H2,(H,42,45)(H,43,46)(H,44,47)","LCAWRNDINWAFGH-UHFFFAOYSA-N",null,270]
["D10061",28620,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50215070","C(CNc1ccnc2ccccc12)COc1cccc(OCCCNc2ccnc3ccccc23)c1OCCCNc1ccnc2ccccc12","InChI=1S/C42H42N6O3/c1-4-14-34-31(11-1)37(19-25-46-34)43-22-8-28-49-40-17-7-18-41(50-29-9-23-44-38-20-26-47-35-15-5-2-12-32(35)38)42(40)51-30-10-24-45-39-21-27-48-36-16-6-3-13-33(36)39/h1-7,11-21,25-27H,8-10,22-24,28-30H2,(H,43,46)(H,44,47)(H,45,48)","HPGPNUVLTNJVMQ-UHFFFAOYSA-N",null,130]
["D10062",12392,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42916","C(CNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)CN1CCOCC1","InChI=1S/C25H26N4O2/c1-3-8-19(9-4-1)21-22-24(26-12-7-13-29-14-16-30-17-15-29)27-18-28-25(22)31-23(21)20-10-5-2-6-11-20/h1-6,8-11,18H,7,12-17H2,(H,26,27,28)","MOAYQPPWNLQINH-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D10063",28751,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50240909","C(Cc1ccccc1)c1nc2ccccc2[nH]1","InChI=1S/C15H14N2/c1-2-6-12(7-3-1)10-11-15-16-13-8-4-5-9-14(13)17-15/h1-9H,10-11H2,(H,16,17)","BMLOBNVUJHKONU-UHFFFAOYSA-N",null,null,">10000"]
["D10064",12263,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM63738","C(N=Nc1ccc2ccccc2n1)c1ccc2OCCOc2c1","InChI=1S/C18H15N3O2/c1-2-4-15-14(3-1)6-8-18(20-15)21-19-12-13-5-7-16-17(11-13)23-10-9-22-16/h1-8,11H,9-10,12H2","VLPZQGOYHUXETP-UHFFFAOYSA-N",null,16248]
["D10065",12212,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87322","C(N=Nc1nc2ccccc2[nH]1)c1cccc2cccnc12","InChI=1S/C17H13N5/c1-2-9-15-14(8-1)20-17(21-15)22-19-11-13-6-3-5-12-7-4-10-18-16(12)13/h1-10H,11H2,(H,20,21)/b22-19+","JKZIRBKCUKRLBF-ZBJSNUHESA-N",null,9183]
["D10066",12026,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43157","C(NC1CCCC1)c1cccnc1","InChI=1S/C11H16N2/c1-2-6-11(5-1)13-9-10-4-3-7-12-8-10/h3-4,7-8,11,13H,1-2,5-6,9H2","UDEXMRQTOXSRFR-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D10067",32161,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43602","C(NC1CCCCCC1)c1c[nH]c2ccccc12","InChI=1S/C16H22N2/c1-2-4-8-14(7-3-1)17-11-13-12-18-16-10-6-5-9-15(13)16/h5-6,9-10,12,14,17-18H,1-4,7-8,11H2","IUQFASBFPJNXNL-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D10068",18101,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50239229","C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1","InChI=1S/C24H18N6/c1-2-7-17(8-3-1)20-10-6-11-21-22(20)24(28-15-19-9-4-5-12-27-19)30-23(29-21)18-13-25-16-26-14-18/h1-14,16H,15H2,(H,28,29,30)","UVJHJIXYGIZLLF-UHFFFAOYSA-N",null,50000]
["D10069",28721,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50275156","C(Nc1nc2ccccc2[nH]1)c1ccccc1","InChI=1S/C14H13N3/c1-2-6-11(7-3-1)10-15-14-16-12-8-4-5-9-13(12)17-14/h1-9H,10H2,(H2,15,16,17)","FXMPPQGQNSTUGE-UHFFFAOYSA-N",null,null,2700]
["D10070",4394,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66318","C(Nc1nnc[nH]1)c1ccc(NCc2cccc3ccccc23)cc1","InChI=1S/C20H19N5/c1-2-7-19-16(4-1)5-3-6-17(19)13-21-18-10-8-15(9-11-18)12-22-20-23-14-24-25-20/h1-11,14,21H,12-13H2,(H2,22,23,24,25)","VEROXRHTGXSPLU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10071",11844,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42997","C(Sc1ncnc2c1sc1nc(N3CCOCC3)c3CCCCc3c21)c1ccccc1","InChI=1S/C24H24N4OS2/c1-2-6-16(7-3-1)14-30-24-21-20(25-15-26-24)19-17-8-4-5-9-18(17)22(27-23(19)31-21)28-10-12-29-13-11-28/h1-3,6-7,15H,4-5,8-14H2","JGFXPKNCPKUXKK-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D10072",12195,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM54960","C(c1cccs1)c1nn2c(nnc2s1)-c1ccncc1","InChI=1S/C13H9N5S2/c1-2-10(19-7-1)8-11-17-18-12(15-16-13(18)20-11)9-3-5-14-6-4-9/h1-7H,8H2","SNWGXXRJYSNHPG-UHFFFAOYSA-N",null,8114]
["D10073",12387,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42911","C(c1cccs1)c1nn2c(nnc2s1)-c1n[nH]c2CCCc12","InChI=1S/C14H12N6S2/c1-4-9-10(5-1)15-16-12(9)13-17-18-14-20(13)19-11(22-14)7-8-3-2-6-21-8/h2-3,6H,1,4-5,7H2,(H,15,16)","CHIKRUVVHFEGLK-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D10074",28464,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50264072","C(c1nc(cs1)-c1ccccn1)c1ccccn1","InChI=1S/C14H11N3S/c1-3-7-15-11(5-1)9-14-17-13(10-18-14)12-6-2-4-8-16-12/h1-8,10H,9H2","PRDBWXKZNUDZAP-UHFFFAOYSA-N",null,">30000"]
["D10075",4245,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM34300","C(c1nn2c(Cn3nnc4ccccc34)nnc2s1)c1ccccc1","InChI=1S/C17H13N7S/c1-2-6-12(7-3-1)10-16-21-24-15(19-20-17(24)25-16)11-23-14-9-5-4-8-13(14)18-22-23/h1-9H,10-11H2","MNNKRGMSLHQOQF-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10076",28730,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50275127","C1C(Cc2ccccc12)Nc1nc2ccccc2[nH]1","InChI=1S/C16H15N3/c1-2-6-12-10-13(9-11(12)5-1)17-16-18-14-7-3-4-8-15(14)19-16/h1-8,13H,9-10H2,(H2,17,18,19)","RHAYGDUMTNFDNJ-UHFFFAOYSA-N",null,null,1700]
["D10077",28724,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50275153","C1CC(N(C1)c1nc2ccccc2[nH]1)c1ccccc1","InChI=1S/C17H17N3/c1-2-7-13(8-3-1)16-11-6-12-20(16)17-18-14-9-4-5-10-15(14)19-17/h1-5,7-10,16H,6,11-12H2,(H,18,19)","MCPMQYDXTHQKJB-UHFFFAOYSA-N",null,null,1600]
["D10078",28748,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50275232","C1CC(Nc2nc3ccccc3[nH]2)c2c(C1)ccc1ccccc21","InChI=1S/C21H19N3/c1-2-8-16-14(6-1)12-13-15-7-5-11-19(20(15)16)24-21-22-17-9-3-4-10-18(17)23-21/h1-4,6,8-10,12-13,19H,5,7,11H2,(H2,22,23,24)","ZBIBQVJNOROCLB-UHFFFAOYSA-N",null,null,31]
["D10079",28749,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50275233","C1CC(Nc2nc3ccccc3[nH]2)c2cc(ccc2C1)-c1ccccc1","InChI=1S/C23H21N3/c1-2-7-16(8-3-1)18-14-13-17-9-6-12-20(19(17)15-18)24-23-25-21-10-4-5-11-22(21)26-23/h1-5,7-8,10-11,13-15,20H,6,9,12H2,(H2,24,25,26)","MJSHLQQAWDKNCC-UHFFFAOYSA-N",null,null,600]
["D10080",28728,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50275129","C1CC(Nc2nc3ccccc3[nH]2)c2ccccc2C1","InChI=1S/C17H17N3/c1-2-8-13-12(6-1)7-5-11-14(13)18-17-19-15-9-3-4-10-16(15)20-17/h1-4,6,8-10,14H,5,7,11H2,(H2,18,19,20)","XZIZUQSOFMLIIR-UHFFFAOYSA-N",null,null,130]
["D10081",28744,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50275054","C1CC(Nc2nc3ccccc3[nH]2)c2ccccc2O1","InChI=1S/C16H15N3O/c1-4-8-15-11(5-1)12(9-10-20-15)17-16-18-13-6-2-3-7-14(13)19-16/h1-8,12H,9-10H2,(H2,17,18,19)","SVRVORRGVJXDKW-UHFFFAOYSA-N",null,null,">10000"]
["D10082",28745,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50275207","C1CC(Nc2nc3ccccc3[nH]2)c2ccccc2S1","InChI=1S/C16H15N3S/c1-4-8-15-11(5-1)12(9-10-20-15)17-16-18-13-6-2-3-7-14(13)19-16/h1-8,12H,9-10H2,(H2,17,18,19)","HFJIOLBSWLFSDE-UHFFFAOYSA-N",null,null,130]
["D10083",28747,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50275209","C1CC(Nc2nc3ccccc3[nH]2)c2ccsc2C1","InChI=1S/C15H15N3S/c1-2-5-13-12(4-1)17-15(18-13)16-11-6-3-7-14-10(11)8-9-19-14/h1-2,4-5,8-9,11H,3,6-7H2,(H2,16,17,18)","GUNCRGOWHVVDBR-UHFFFAOYSA-N",null,null,540]
["D10084",28746,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50275208","C1CC(Nc2nc3ccccc3[nH]2)c2cnccc2C1","InChI=1S/C16H16N4/c1-2-6-15-14(5-1)19-16(20-15)18-13-7-3-4-11-8-9-17-10-12(11)13/h1-2,5-6,8-10,13H,3-4,7H2,(H2,18,19,20)","KTRDTPYIFUGLKK-UHFFFAOYSA-N",null,null,6500]
["D10085",11773,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87252","C1CC1c1nc2ccc3[nH]snc3c2n1","InChI=1S/C10H8N4S/c1-2-5(1)10-11-6-3-4-7-9(8(6)12-10)14-15-13-7/h3-5,13H,1-2H2","KEKDTXLRDCPUEJ-UHFFFAOYSA-N",null,1197]
["D10086",31892,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50189946","C1CCC(CC1)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1","InChI=1S/C19H20N6S/c1-3-7-13(8-4-1)15-11-16(21-20-15)18-22-23-19-25(18)24-17(12-26-19)14-9-5-2-6-10-14/h1,3-4,7-8,11,14H,2,5-6,9-10,12H2,(H,20,21)","HUDOWYBEANTLQD-UHFFFAOYSA-N",null,">50000"]
["D10087",11809,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM57102","C1CCC(CC1)Nc1nc(nnc1-c1ccccc1)-c1ccccn1","InChI=1S/C20H21N5/c1-3-9-15(10-4-1)18-20(22-16-11-5-2-6-12-16)23-19(25-24-18)17-13-7-8-14-21-17/h1,3-4,7-10,13-14,16H,2,5-6,11-12H2,(H,22,23,25)","LKAMDZUYTXTHDM-UHFFFAOYSA-N",null,2893]
["D10088",25702,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50084851","C1CCCCCN[c+]2ccn(Cc3ccc(CCc4ccc(Cn5cc[c+](NCCCC1)c1ccccc51)cc4)cc3)c1ccccc21","InChI=1S/C44H50N4/c1-2-4-6-12-30-46-42-28-32-48(44-16-10-8-14-40(42)44)34-38-25-21-36(22-26-38)18-17-35-19-23-37(24-20-35)33-47-31-27-41(45-29-11-5-3-1)39-13-7-9-15-43(39)47/h7-10,13-16,19-28,31-32,45-46H,1-6,11-12,17-18,29-30,33-34H2/q+2","YBUJEFDKDCEBNG-UHFFFAOYSA-N",null,180]
["D10089",25689,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50084848","C1CCCCCN[c+]2ccn(Cc3ccc(Cc4ccc(Cn5cc[c+](NCCCC1)c1ccccc51)cc4)cc3)c1ccccc21","InChI=1S/C43H48N4/c1-2-4-6-12-28-45-41-26-30-47(43-16-10-8-14-39(41)43)33-37-23-19-35(20-24-37)31-34-17-21-36(22-18-34)32-46-29-25-40(44-27-11-5-3-1)38-13-7-9-15-42(38)46/h7-10,13-26,29-30,44-45H,1-6,11-12,27-28,31-33H2/q+2","NWUHMRZECZQMJQ-UHFFFAOYSA-N",null,80]
["D10090",25701,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50084839","C1CCCCCN[c+]2ccn(Cc3ccc(cc3)-c3ccc(Cn4cc[c+](NCCCC1)c1ccccc41)cc3)c1ccccc21","InChI=1S/C42H46N4/c1-2-4-6-12-28-44-40-26-30-46(42-16-10-8-14-38(40)42)32-34-19-23-36(24-20-34)35-21-17-33(18-22-35)31-45-29-25-39(43-27-11-5-3-1)37-13-7-9-15-41(37)45/h7-10,13-26,29-30,43-44H,1-6,11-12,27-28,31-32H2/q+2","PTPPSEJOOLOWCK-UHFFFAOYSA-N",null,170]
["D10091",25700,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50084849","C1CCCCCN[c+]2ccn(Cc3ccc(cc3)\\C=C/c3ccc(Cn4cc[c+](NCCCC1)c1ccccc41)cc3)c1ccccc21","InChI=1S/C44H48N4/c1-2-4-6-12-30-46-42-28-32-48(44-16-10-8-14-40(42)44)34-38-25-21-36(22-26-38)18-17-35-19-23-37(24-20-35)33-47-31-27-41(45-29-11-5-3-1)39-13-7-9-15-43(39)47/h7-10,13-28,31-32,45-46H,1-6,11-12,29-30,33-34H2/q+2/b18-17-","XDWIBNDNEBICCV-ZCXUNETKSA-N",null,150]
["D10092",25692,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50084852","C1CCCCCN[c+]2ccn(Cc3cccc(c3)-c3cccc(Cn4cc[c+](NCCCC1)c1ccccc41)c3)c1ccccc21","InChI=1S/C42H46N4/c1-2-4-6-12-26-44-40-24-28-46(42-22-10-8-20-38(40)42)32-34-16-14-18-36(30-34)35-17-13-15-33(29-35)31-45-27-23-39(43-25-11-5-3-1)37-19-7-9-21-41(37)45/h7-10,13-24,27-30,43-44H,1-6,11-12,25-26,31-32H2/q+2","HSKLDYFGAMUEER-UHFFFAOYSA-N",null,110]
["D10093",25708,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50474861","C1CCCCCNc2cc[n+](CCCCCCCCCC[n+]3ccc(NCCCC1)c1ccccc31)c1ccccc21","InChI=1S/C38H52N4/c1-2-6-10-18-28-40-36-26-32-42(38-24-16-14-22-34(36)38)30-20-12-8-4-3-7-11-19-29-41-31-25-35(39-27-17-9-5-1)33-21-13-15-23-37(33)41/h13-16,21-26,31-32H,1-12,17-20,27-30H2/p+2/b39-35+,40-36?","FYFABISZPRODDF-KRICRXGHSA-P",null,260]
["D10094",25705,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50473108","C1CCCCC[n+]2ccc(NCc3ccc(cc3)-c3ccc(CNc4cc[n+](CCCC1)c1ccccc41)cc3)c1ccccc21","InChI=1S/C42H44N4/c1-2-4-6-12-28-46-30-26-40(38-14-8-10-16-42(38)46)44-32-34-19-23-36(24-20-34)35-21-17-33(18-22-35)31-43-39-25-29-45(27-11-5-3-1)41-15-9-7-13-37(39)41/h7-10,13-26,29-30H,1-6,11-12,27-28,31-32H2/p+2/b43-39+,44-40+","GMLCNHDPJLCOHX-UUHCYPSGSA-P",null,210]
["D10095",25683,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50474858","C1CCCNc2cc[n+](CCCCCC[n+]3ccc(NCC1)c1ccccc31)c1ccccc21","InChI=1S/C30H36N4/c1-2-10-20-32-28-18-24-34(30-16-8-6-14-26(28)30)22-12-4-3-11-21-33-23-17-27(31-19-9-1)25-13-5-7-15-29(25)33/h5-8,13-18,23-24H,1-4,9-12,19-22H2/p+2/b31-27+,32-28?","ZQNBIJZLMRIJDS-FUQISJQKSA-P",null,60]
["D10096",25672,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50474869","C1CCCNc2cc[n+](CCCCC[n+]3ccc(NCC1)c1ccccc31)c1ccccc21","InChI=1S/C29H34N4/c1-2-9-19-31-27-17-23-33(29-15-7-5-13-25(27)29)21-11-3-10-20-32-22-16-26(30-18-8-1)24-12-4-6-14-28(24)32/h4-7,12-17,22-23H,1-3,8-11,18-21H2/p+2/b30-26+,31-27?","SYDOHXMPYHNWMB-ZWMGFUAFSA-P",null,12]
["D10097",25681,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50474863","C1CCCNc2cc[n+](Cc3cccc(C[n+]4ccc(NCC1)c1ccccc41)c3)c1ccccc21","InChI=1S/C32H32N4/c1-2-8-19-34-30-17-21-36(32-15-6-4-13-28(30)32)24-26-11-9-10-25(22-26)23-35-20-16-29(33-18-7-1)27-12-3-5-14-31(27)35/h3-6,9-17,20-22H,1-2,7-8,18-19,23-24H2/p+2/b33-29+,34-30?","CNRFRNXLQMWDMQ-SKVCKMSESA-P",null,35]
["D10098",25674,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50474867","C1CCC[n+]2ccc(NCCCCCNc3cc[n+](CC1)c1ccccc31)c1ccccc21","InChI=1S/C29H34N4/c1-2-11-21-33-23-17-27(25-13-5-7-15-29(25)33)31-19-9-3-8-18-30-26-16-22-32(20-10-1)28-14-6-4-12-24(26)28/h4-7,12-17,22-23H,1-3,8-11,18-21H2/p+2/b30-26+,31-27+","JIXCCBVCPNIEIV-DFHJQSNHSA-P",null,16]
["D10099",25686,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50474859","C1CCC[n+]2ccc(NCc3ccc(CNc4cc[n+](CC1)c1ccccc41)cc3)c1ccccc21","InChI=1S/C32H32N4/c1-2-8-20-36-22-18-30(28-10-4-6-12-32(28)36)34-24-26-15-13-25(14-16-26)23-33-29-17-21-35(19-7-1)31-11-5-3-9-27(29)31/h3-6,9-18,21-22H,1-2,7-8,19-20,23-24H2/p+2/b33-29+,34-30+","HLAPMKDMWNJHGI-BNRZXNFUSA-P",null,65]
["D10100",28725,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50275152","C1CCN(C(C1)c1ccccc1)c1nc2ccccc2[nH]1","InChI=1S/C18H19N3/c1-2-8-14(9-3-1)17-12-6-7-13-21(17)18-19-15-10-4-5-11-16(15)20-18/h1-5,8-11,17H,6-7,12-13H2,(H,19,20)","SWDBIAFYVWQAFY-UHFFFAOYSA-N",null,null,750]
["D10101",25667,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50092131","C1CCN[c+]2ccn(CCCCCn3cc[c+](NCC1)c1ccccc31)c1ccccc21","InChI=1S/C28H34N4/c1-7-17-29-25-15-21-31(27-13-5-3-11-23(25)27)19-9-2-10-20-32-22-16-26(30-18-8-1)24-12-4-6-14-28(24)32/h3-6,11-16,21-22,29-30H,1-2,7-10,17-20H2/q+2","VJCCFSUYDUXLQI-UHFFFAOYSA-N",null,2]
["D10102",25682,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50474872","C1CCNc2cc[n+](CCCC[n+]3ccc(NC1)c1ccccc31)c1ccccc21","InChI=1S/C26H28N4/c1-3-11-25-21(9-1)23-13-19-29(25)17-7-8-18-30-20-14-24(28-16-6-5-15-27-23)22-10-2-4-12-26(22)30/h1-4,9-14,19-20H,5-8,15-18H2/p+2/b27-23-,28-24+","CSGSQQQPXYIAHO-VRQWBOTBSA-P",null,40]
["D10103",25673,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50474865","C1CCNc2cc[n+](CCCC[n+]3ccc(NCC1)c1ccccc31)c1ccccc21","InChI=1S/C27H30N4/c1-6-16-28-24-14-20-30(26-12-4-2-10-22(24)26)18-8-9-19-31-21-15-25(29-17-7-1)23-11-3-5-13-27(23)31/h2-5,10-15,20-21H,1,6-9,16-19H2/p+2/b28-24+,29-25+","AICVSFQIONNJHX-NLLYGJECSA-P",null,15]
["D10104",25671,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50474870","C1CCNc2cc[n+](Cc3cccc(C[n+]4ccc(NC1)c1ccccc41)c3)c1ccccc21","InChI=1S/C30H28N4/c1-3-12-29-25(10-1)27-14-18-33(29)21-23-8-7-9-24(20-23)22-34-19-15-28(32-17-6-5-16-31-27)26-11-2-4-13-30(26)34/h1-4,7-15,18-20H,5-6,16-17,21-22H2/p+2/b31-27+,32-28?","ZKJOZXWPIQEWBZ-FUQISJQKSA-P",null,10]
["D10105",25680,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50474871","C1CCNc2cc[n+](Cc3cccc(C[n+]4ccc(NCC1)c1ccccc41)c3)c1ccccc21","InChI=1S/C31H30N4/c1-6-17-32-28-15-19-34(30-13-4-2-11-26(28)30)22-24-9-8-10-25(21-24)23-35-20-16-29(33-18-7-1)27-12-3-5-14-31(27)35/h2-5,8-16,19-21H,1,6-7,17-18,22-23H2/p+2/b32-28+,33-29+","ZDUYZNASBKXXJH-NUOLXNBNSA-P",null,31]
["D10106",25670,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50474856","C1CC[n+]2ccc(NCCCCNc3cc[n+](CC1)c1ccccc31)c1ccccc21","InChI=1S/C27H30N4/c1-8-18-30-20-14-24(22-10-2-4-12-26(22)30)28-16-6-7-17-29-25-15-21-31(19-9-1)27-13-5-3-11-23(25)27/h2-5,10-15,20-21H,1,6-9,16-19H2/p+2/b28-24+,29-25+","GCCRVTGOPAILGE-NLLYGJECSA-P",null,9]
["D10107",25695,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50474857","C1CC[n+]2ccc(NCCCNc3cc[n+](C1)c1ccccc31)c1ccccc21","InChI=1S/C25H26N4/c1-3-10-24-20(8-1)22-12-18-28(24)16-5-6-17-29-19-13-23(27-15-7-14-26-22)21-9-2-4-11-25(21)29/h1-4,8-13,18-19H,5-7,14-17H2/p+2/b26-22+,27-23+","JQPOIABCQPKOIF-GEECTANVSA-P",null,130]
["D10108",25679,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50474868","C1CC[n+]2ccc(NCCCNc3cc[n+](CC1)c1ccccc31)c1ccccc21","InChI=1S/C26H28N4/c1-6-17-29-19-13-23(21-9-2-4-11-25(21)29)27-15-8-16-28-24-14-20-30(18-7-1)26-12-5-3-10-22(24)26/h2-5,9-14,19-20H,1,6-8,15-18H2/p+2/b27-23+,28-24+","QTXLIUXPLHZAAN-LMCGJEQXSA-P",null,30]
["D10109",25698,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50474873","C1CC[n+]2ccc(NCc3ccc(CNc4cc[n+](C1)c1ccccc41)cc3)c1ccccc21","InChI=1S/C30H28N4/c1-3-9-29-25(7-1)27-15-19-33(29)17-5-6-18-34-20-16-28(26-8-2-4-10-30(26)34)32-22-24-13-11-23(12-14-24)21-31-27/h1-4,7-16,19-20H,5-6,17-18,21-22H2/p+2/b31-27+,32-28+","NUXMIFQGKCFEFX-WWQQVGJXSA-P",null,150]
["D10110",12216,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM3915","C1CCc2c(C1)sc1ncn3nnnc3c21","InChI=1S/C10H9N5S/c1-2-4-7-6(3-1)8-9-12-13-14-15(9)5-11-10(8)16-7/h5H,1-4H2","YLSZEAJBPAOIRD-UHFFFAOYSA-N",null,9843]
["D10111",28729,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50275128","C1CCc2ccccc2C(C1)Nc1nc2ccccc2[nH]1","InChI=1S/C18H19N3/c1-3-9-14-13(7-1)8-2-4-10-15(14)19-18-20-16-11-5-6-12-17(16)21-18/h1,3,5-7,9,11-12,15H,2,4,8,10H2,(H2,19,20,21)","OMERAYMRSNYHER-UHFFFAOYSA-N",null,null,590]
["D10112",28434,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50435962","C1CCn2[cH+]cc([NH2+]Cc3cccc(C[NH2+]c4c[cH+]n(CC1)c1ccccc41)c3)c1ccccc21","InChI=1S/C31H32N4/c1-6-17-34-19-15-28(26-11-2-4-13-30(26)34)32-22-24-9-8-10-25(21-24)23-33-29-16-20-35(18-7-1)31-14-5-3-12-27(29)31/h2-5,8-16,19-21,32-33H,1,6-7,17-18,22-23H2/q+2/p+2","ZFAYVFCVELBEOM-UHFFFAOYSA-P",null,31]
["D10113",25684,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50150389","C1CCn2cc[c+](NCc3ccc(CN[c+]4ccn(CC1)c1ccccc41)cc3)c1ccccc21","InChI=1S/C31H32N4/c1-6-18-34-20-16-28(26-8-2-4-10-30(26)34)32-22-24-12-14-25(15-13-24)23-33-29-17-21-35(19-7-1)31-11-5-3-9-27(29)31/h2-5,8-17,20-21,32-33H,1,6-7,18-19,22-23H2/q+2","LSGHRGGEGPJRLQ-UHFFFAOYSA-N",null,60]
["D10114",31785,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43583","C1CN(c2ccccc2C1)c1nc2ccccc2n2cnnc12","InChI=1S/C18H15N5/c1-3-9-15-13(6-1)7-5-11-22(15)17-18-21-19-12-23(18)16-10-4-2-8-14(16)20-17/h1-4,6,8-10,12H,5,7,11H2","ZBKRLQLGOYDKLA-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D10115",25714,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50474860","C1CNc2cc[n+](CCC[n+]3ccc(NC1)c1ccccc31)c1ccccc21","InChI=1S/C24H24N4/c1-3-9-23-19(7-1)21-11-17-27(23)15-6-16-28-18-12-22(26-14-5-13-25-21)20-8-2-4-10-24(20)28/h1-4,7-12,17-18H,5-6,13-16H2/p+2/b25-21+,26-22+","MOSIZFCDSISEBV-CDTUYSNOSA-P",null,380]
["D10116",25676,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50474866","C1CNc2cc[n+](Cc3cccc(C[n+]4ccc(NC1)c1ccccc41)c3)c1ccccc21","InChI=1S/C29H26N4/c1-3-11-28-24(9-1)26-13-17-32(28)20-22-7-5-8-23(19-22)21-33-18-14-27(31-16-6-15-30-26)25-10-2-4-12-29(25)33/h1-5,7-14,17-19H,6,15-16,20-21H2/p+2/b30-26+,31-27+","RHYSYNPRVSVLPO-DFHJQSNHSA-P",null,25]
["D10117",28487,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50263331","C1C[C@@H](Nc2nc3ccccc3[nH]2)c2ccccc2C1","InChI=1S/C17H17N3/c1-2-8-13-12(6-1)7-5-11-14(13)18-17-19-15-9-3-4-10-16(15)20-17/h1-4,6,8-10,14H,5,7,11H2,(H2,18,19,20)/t14-/m1/s1","XZIZUQSOFMLIIR-CQSZACIVSA-N",{"$nulls":3},2200]
["D10118",28750,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50275234","C1C[C@H](Nc2nc3ccccc3[nH]2)c2ccccc2C1","InChI=1S/C17H17N3/c1-2-8-13-12(6-1)7-5-11-14(13)18-17-19-15-9-3-4-10-16(15)20-17/h1-4,6,8-10,14H,5,7,11H2,(H2,18,19,20)/t14-/m0/s1","XZIZUQSOFMLIIR-AWEZNQCLSA-N",null,null,450]
["D10119",25697,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50474862","C1C[n+]2ccc(NCc3ccc(CNc4cc[n+](C1)c1ccccc41)cc3)c1ccccc21","InChI=1S/C29H26N4/c1-3-8-28-24(6-1)26-14-18-32(28)16-5-17-33-19-15-27(25-7-2-4-9-29(25)33)31-21-23-12-10-22(11-13-23)20-30-26/h1-4,6-15,18-19H,5,16-17,20-21H2/p+2/b30-26+,31-27+","CBHWTLQMYVTUNT-DFHJQSNHSA-P",null,150]
["D10120",3599,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50353290","C1Cc2[nH]ncc2-c2nc(Nc3ccccn3)sc2C1","InChI=1S/C14H13N5S/c1-2-7-15-12(6-1)17-14-18-13-9-8-16-19-10(9)4-3-5-11(13)20-14/h1-2,6-8H,3-5H2,(H,16,19)(H,15,17,18)","DBISXWCOHGUFSF-UHFFFAOYSA-N",null,">10000"]
["D10121",3600,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50353291","C1Cc2[nH]ncc2-c2nc(Nc3ncccn3)sc2C1","InChI=1S/C13H12N6S/c1-3-9-8(7-16-19-9)11-10(4-1)20-13(17-11)18-12-14-5-2-6-15-12/h2,5-7H,1,3-4H2,(H,16,19)(H,14,15,17,18)","HYJWPTWQMAYKAM-UHFFFAOYSA-N",null,">10000"]
["D10122",11930,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43190","C1Cc2ccccc2C1=NNc1nc2ccccc2[nH]1","InChI=1S/C16H14N4/c1-2-6-12-11(5-1)9-10-13(12)19-20-16-17-14-7-3-4-8-15(14)18-16/h1-8H,9-10H2,(H2,17,18,20)","TWSNDEJJWBYJQM-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D10123",28727,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50275130","C1Cc2ccccc2C1Nc1nc2ccccc2[nH]1","InChI=1S/C16H15N3/c1-2-6-12-11(5-1)9-10-13(12)17-16-18-14-7-3-4-8-15(14)19-16/h1-8,13H,9-10H2,(H2,17,18,19)","HKNYQXBYCKKHDB-UHFFFAOYSA-N",null,null,790]
["D10124",28731,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50275126","C1Cc2ccccc2CC1Nc1nc2ccccc2[nH]1","InChI=1S/C17H17N3/c1-2-6-13-11-14(10-9-12(13)5-1)18-17-19-15-7-3-4-8-16(15)20-17/h1-8,14H,9-11H2,(H2,18,19,20)","FGAKCRQRJSMKLI-UHFFFAOYSA-N",null,null,2000]
["D10125",28726,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50275131","C1Cc2ccccc2CN1c1nc2ccccc2[nH]1","InChI=1S/C16H15N3/c1-2-6-13-11-19(10-9-12(13)5-1)16-17-14-7-3-4-8-15(14)18-16/h1-8H,9-11H2,(H,17,18)","IZMMNYOCEHWHMF-UHFFFAOYSA-N",null,null,14000]
["D10126",31909,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50189945","C1Cc2n[nH]c(c2C1)-c1nnc2SCC(=Nn12)C1CCCCC1","InChI=1S/C16H20N6S/c1-2-5-10(6-3-1)13-9-23-16-20-19-15(22(16)21-13)14-11-7-4-8-12(11)17-18-14/h10H,1-9H2,(H,17,18)","KIRLBJSSZPKSLP-UHFFFAOYSA-N",null,">50000"]
["D10127",31899,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50189927","C1Cc2n[nH]c(c2C1)-c1nnc2SCC(=Nn12)c1ccccc1","InChI=1S/C16H14N6S/c1-2-5-10(6-3-1)13-9-23-16-20-19-15(22(16)21-13)14-11-7-4-8-12(11)17-18-14/h1-3,5-6H,4,7-9H2,(H,17,18)","MDOCWQYMGLTFKB-UHFFFAOYSA-N",null,">50000"]
["D10128",31901,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50189931","C1Cc2n[nH]c(c2C1)-c1nnc2SCC(=Nn12)c1ccncc1","InChI=1S/C15H13N7S/c1-2-10-11(3-1)17-18-13(10)14-19-20-15-22(14)21-12(8-23-15)9-4-6-16-7-5-9/h4-7H,1-3,8H2,(H,17,18)","LGMXKAFOZXXFQI-UHFFFAOYSA-N",null,">50000"]
["D10129",31905,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50189935","C1Cc2n[nH]c(c2C1)-c1nnc2SCC=Nn12","InChI=1S/C10H10N6S/c1-2-6-7(3-1)12-13-8(6)9-14-15-10-16(9)11-4-5-17-10/h4H,1-3,5H2,(H,12,13)","IXJCFQCADDLFOG-UHFFFAOYSA-N",null,">50000"]
["D10130",3593,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50353292","C1Cc2sc(Nc3ccccn3)nc2-c2cn[nH]c12","InChI=1S/C13H11N5S/c1-2-6-14-11(3-1)16-13-17-12-8-7-15-18-9(8)4-5-10(12)19-13/h1-3,6-7H,4-5H2,(H,15,18)(H,14,16,17)","MIOXQGMSPSEKCA-UHFFFAOYSA-N",null,">10000"]
["D10131",25668,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50061977","C1N[c+]2ccn(Cc3cccc(Cn4cc[c+](NCc5ccc1cc5)c1ccccc41)c3)c1ccccc21","InChI=1S/C34H30N4/c1-3-10-33-29(8-1)31-16-18-37(33)23-27-6-5-7-28(20-27)24-38-19-17-32(30-9-2-4-11-34(30)38)36-22-26-14-12-25(13-15-26)21-35-31/h1-20,35-36H,21-24H2/q+2","RTVXWSMGAUBIJI-UHFFFAOYSA-N",null,3]
["D10132",25677,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50473103","C1Nc2cc[n+](Cc3ccc(C[n+]4ccc(NCc5ccc1cc5)c1ccccc41)cc3)c1ccccc21","InChI=1S/C34H28N4/c1-3-7-33-29(5-1)31-17-19-37(33)23-27-13-15-28(16-14-27)24-38-20-18-32(30-6-2-4-8-34(30)38)36-22-26-11-9-25(10-12-26)21-35-31/h1-20H,21-24H2/p+2","HXTIHUXDOFDZHB-UHFFFAOYSA-P",null,28]
["D10133",25687,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50473106","C1Nc2cc[n+](Cc3ccc(C[n+]4ccc(NCc5cccc1c5)c1ccccc41)cc3)c1ccccc21","InChI=1S/C34H28N4/c1-3-10-33-29(8-1)31-16-18-37(33)23-25-12-14-26(15-13-25)24-38-19-17-32(30-9-2-4-11-34(30)38)36-22-28-7-5-6-27(20-28)21-35-31/h1-20H,21-24H2/p+2/b35-31+,36-32?","CSMFTEKMKIPLLV-MSFSTKLDSA-P",null,70]
["D10134",25707,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50473109","C1Nc2cc[n+](Cc3ccc(Cc4ccc(C[n+]5ccc(NCc6ccc(Cc7ccc1cc7)cc6)c1ccccc51)cc4)cc3)c1ccccc21","InChI=1S/C48H40N4/c1-3-7-47-43(5-1)45-25-27-51(47)33-41-21-13-37(14-22-41)30-38-15-23-42(24-16-38)34-52-28-26-46(44-6-2-4-8-48(44)52)50-32-40-19-11-36(12-20-40)29-35-9-17-39(18-10-35)31-49-45/h1-28H,29-34H2/p+2/b49-45+,50-46+","DRNSAMLCFLFWME-XMWVESSBSA-P",null,260]
["D10135",25709,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50473096","C1Nc2cc[n+](Cc3ccc(Cc4ccc(C[n+]5ccc(NCc6ccc(cc6)-c6ccc1cc6)c1ccccc51)cc4)cc3)c1ccccc21","InChI=1S/C47H38N4/c1-3-7-46-42(5-1)44-25-27-50(46)32-38-13-9-34(10-14-38)29-35-11-15-39(16-12-35)33-51-28-26-45(43-6-2-4-8-47(43)51)49-31-37-19-23-41(24-20-37)40-21-17-36(18-22-40)30-48-44/h1-28H,29-33H2/p+2/b48-44+,49-45+","JXTPJASKLIIGJS-UPGPOWGVSA-P",null,280]
["D10136",25699,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50473102","C1Nc2cc[n+](Cc3ccc(cc3)-c3ccc(C[n+]4ccc(NCc5ccc(Cc6ccc1cc6)cc5)c1ccccc41)cc3)c1ccccc21","InChI=1S/C47H38N4/c1-3-7-46-42(5-1)44-25-27-50(46)32-38-17-21-40(22-18-38)41-23-19-39(20-24-41)33-51-28-26-45(43-6-2-4-8-47(43)51)49-31-37-15-11-35(12-16-37)29-34-9-13-36(14-10-34)30-48-44/h1-28H,29-33H2/p+2","RHHJHABUBKNOCL-UHFFFAOYSA-P",null,150]
["D10137",25718,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50473110","C1Nc2cc[n+](Cc3ccc(cc3)-c3ccc(C[n+]4ccc(NCc5ccc(cc5)-c5ccc1cc5)c1ccccc41)cc3)c1ccccc21","InChI=1S/C46H36N4/c1-3-7-45-41(5-1)43-25-27-49(45)31-35-13-21-39(22-14-35)40-23-15-36(16-24-40)32-50-28-26-44(42-6-2-4-8-46(42)50)48-30-34-11-19-38(20-12-34)37-17-9-33(10-18-37)29-47-43/h1-28H,29-32H2/p+2/b47-43+,48-44+","ZZOSMVRIXIVHPH-FOXIJYENSA-P",null,430]
["D10138",25715,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50473101","C1Nc2cc[n+](Cc3ccc(cc3)-c3cccc(n3)-c3ccc(C[n+]4ccc(NCc5ccc(Cc6ccc1cc6)cc5)c1ccccc41)cc3)c1ccccc21","InChI=1S/C52H41N5/c1-3-10-51-45(6-1)49-28-30-56(51)35-41-20-24-43(25-21-41)47-8-5-9-48(55-47)44-26-22-42(23-27-44)36-57-31-29-50(46-7-2-4-11-52(46)57)54-34-40-18-14-38(15-19-40)32-37-12-16-39(17-13-37)33-53-49/h1-31H,32-36H2/p+2/b53-49+,54-50+","MSJCPFHRDPDMGR-DIWUDJCKSA-P",null,380]
["D10139",25706,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50473111","C1Nc2cc[n+](Cc3ccc(cc3)\\C=C/c3ccc(C[n+]4ccc(NCc5ccc(Cc6ccc1cc6)cc5)c1ccccc41)cc3)c1ccccc21","InChI=1S/C49H40N4/c1-3-7-48-44(5-1)46-27-29-52(48)34-42-23-11-36(12-24-42)9-10-37-13-25-43(26-14-37)35-53-30-28-47(45-6-2-4-8-49(45)53)51-33-41-21-17-39(18-22-41)31-38-15-19-40(20-16-38)32-50-46/h1-30H,31-35H2/p+2/b10-9-,50-46+,51-47?","FBVYBDZRWLPLRN-ZSGWVKDOSA-P",null,250]
["D10140",25694,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50473107","C1Nc2cc[n+](Cc3cccc(C[n+]4ccc(NCc5cccc1c5)c1ccccc41)c3)c1ccccc21","InChI=1S/C34H28N4/c1-3-13-33-29(11-1)31-15-17-37(33)23-27-9-6-10-28(20-27)24-38-18-16-32(30-12-2-4-14-34(30)38)36-22-26-8-5-7-25(19-26)21-35-31/h1-20H,21-24H2/p+2/b35-31-,36-32?","MLPCLFHDLFQJCN-VDIPTTLTSA-P",null,130]
["D10141",31965,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50189928","C1Sc2nnc(-c3cc([nH]n3)-c3ccccc3)n2N=C1c1ccccc1","InChI=1S/C19H14N6S/c1-3-7-13(8-4-1)15-11-16(21-20-15)18-22-23-19-25(18)24-17(12-26-19)14-9-5-2-6-10-14/h1-11H,12H2,(H,20,21)","TUFHEEZPYAMHFI-UHFFFAOYSA-N",null,">50000"]
["D10142",31906,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50189936","C1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1","InChI=1S/C13H10N6S/c1-2-4-9(5-3-1)10-8-11(16-15-10)12-17-18-13-19(12)14-6-7-20-13/h1-6,8H,7H2,(H,15,16)","DMAQGOLEDCMJHD-UHFFFAOYSA-N",null,">50000"]
["D10143",31900,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM438769","C1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1c1ccccc1","InChI=1S/C19H14N6S/c1-3-7-13(8-4-1)15-11-16(21-20-15)18-22-23-19-25(18)24-17(12-26-19)14-9-5-2-6-10-14/h1-11H,12H2,(H,20,21)","TUFHEEZPYAMHFI-UHFFFAOYSA-N",null,">50000"]
["D10144",31902,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50189932","C1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1c1ccncc1","InChI=1S/C18H13N7S/c1-2-4-12(5-3-1)14-10-15(21-20-14)17-22-23-18-25(17)24-16(11-26-18)13-6-8-19-9-7-13/h1-10H,11H2,(H,20,21)","XWNUPPQOQUEWGH-UHFFFAOYSA-N",null,">50000"]
["D10145",25693,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50473099","C1c2cc3C[n+]4ccc(NCc5ccc(cc5)-c5ccc(CNc6cc[n+](Cc7ccc(c1c7)-c2cc3)c1ccccc61)cc5)c1ccccc41","InChI=1S/C47H36N4/c1-3-7-46-42(5-1)44-21-23-50(46)30-34-13-19-40-38(25-34)27-39-26-35(14-20-41(39)40)31-51-24-22-45(43-6-2-4-8-47(43)51)49-29-33-11-17-37(18-12-33)36-15-9-32(10-16-36)28-48-44/h1-26H,27-31H2/p+2/b48-44+,49-45+","ROGFDFGIYABUSU-UPGPOWGVSA-P",null,120]
["D10146",14809,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM375314","C=CC(=O)Nc1ccc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cc1","InChI=1S/C24H22N6O3/c1-2-22(31)28-18-4-6-19(7-5-18)29-24-27-15-26-23(30-24)16-3-8-21(17(13-16)14-25)33-20-9-11-32-12-10-20/h2-8,13,15,20H,1,9-12H2,(H,28,31)(H,26,27,29,30)","CYCDEYIKBNVSHA-UHFFFAOYSA-N",null,6]
["D10147",16221,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478356","C=CCC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3nc(no3)C3CC3)c2)CC1","InChI=1S/C26H28N8O2/c1-2-3-23(35)34-12-10-33(11-13-34)16-17-8-9-27-22(14-17)30-26-28-20-7-6-19(15-21(20)29-26)25-31-24(32-36-25)18-4-5-18/h2,6-9,14-15,18H,1,3-5,10-13,16H2,(H2,27,28,29,30)","JJGNCOZLOLTJKF-UHFFFAOYSA-N",null,102]
["D10148",4597,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66547","C=CCNC(=O)c1ccccc1NC(=O)COc1ccccc1","InChI=1S/C18H18N2O3/c1-2-12-19-18(22)15-10-6-7-11-16(15)20-17(21)13-23-14-8-4-3-5-9-14/h2-11H,1,12-13H2,(H,19,22)(H,20,21)","BVPTWNLVQYNXRK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10149",4548,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66503","C=CC[N+]1(CC=C)CCOCC1","InChI=1S/C10H18NO/c1-3-5-11(6-4-2)7-9-12-10-8-11/h3-4H,1-2,5-10H2/q+1","ZZRPFPOMYRGIMI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10150",3958,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66865","C=CCn1c(SCC(=O)NC2CC2)nnc1-c1ccccn1","InChI=1S/C15H17N5OS/c1-2-9-20-14(12-5-3-4-8-16-12)18-19-15(20)22-10-13(21)17-11-6-7-11/h2-5,8,11H,1,6-7,9-10H2,(H,17,21)","SDVIDRNPKIHMRH-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10151",12401,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42924","C=CCn1c2nnc(SCC(=O)c3ccccc3)n2c2ccccc2c1=O","InChI=1S/C20H16N4O2S/c1-2-12-23-18(26)15-10-6-7-11-16(15)24-19(23)21-22-20(24)27-13-17(25)14-8-4-3-5-9-14/h2-11H,1,12-13H2","MRTANKWIBKRNIG-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D10152",4546,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66001","C=c1[nH][nH]c(=O)c1=Cc1cn(nc1-c1ccccc1)-c1ccccc1","InChI=1S/C20H14N4O/c1-14-18(20(25)22-21-14)12-16-13-24(17-10-6-3-7-11-17)23-19(16)15-8-4-2-5-9-15/h2-13H,1H2","WIRKRCIVABFNFG-UHFFFAOYSA-N",{"$nulls":3},11810]
["D10153",4509,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM65997","C=c1[nH][nH]c(=O)c1=Cc1cn(nc1-c1cccs1)-c1ccccc1","InChI=1S/C18H12N4OS/c1-12-15(18(23)20-19-12)10-13-11-22(14-6-3-2-4-7-14)21-17(13)16-8-5-9-24-16/h2-11H,1H2","UGEDTBCQSVJDSD-UHFFFAOYSA-N",{"$nulls":3},15100]
["D10154",4689,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM46978","CC(=C)c1cc(NOS(=O)(=O)c2ccccc2)c(C)cc1O","InChI=1S/C16H17NO4S/c1-11(2)14-10-15(12(3)9-16(14)18)17-21-22(19,20)13-7-5-4-6-8-13/h4-10,17-18H,1H2,2-3H3","BFQSXMLNYMUQOI-UHFFFAOYSA-N",{"$nulls":3},9279]
["D10155",16810,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50469233","CC(=C)c1cc2c(cc1F)oc1nc(N)c(cc1c2=O)C(O)=O","InChI=1S/C16H11FN2O4/c1-6(2)7-3-8-12(5-11(7)17)23-15-9(13(8)20)4-10(16(21)22)14(18)19-15/h3-5H,1H2,2H3,(H2,18,19)(H,21,22)","YOPPJXMZCJKJEA-UHFFFAOYSA-N",null,790]
["D10156",17126,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50469230","CC(=C)c1cc2c(cn1)oc1nc(N)c(cc1c2=O)C(O)=O","InChI=1S/C15H11N3O4/c1-6(2)10-4-7-11(5-17-10)22-14-8(12(7)19)3-9(15(20)21)13(16)18-14/h3-5H,1H2,2H3,(H2,16,18)(H,20,21)","PFGBHDMRPYHVCQ-UHFFFAOYSA-N",null,2000]
["D10157",15108,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276974","CC(=C)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(O[C@@H]2CCN(C2)C(=O)CO)c(c1)C#N","InChI=1S/C29H26N4O3/c1-18(2)19-3-5-20(6-4-19)26-14-25-24(9-11-31-29(25)32-26)21-7-8-27(22(13-21)15-30)36-23-10-12-33(16-23)28(35)17-34/h3-9,11,13-14,23,34H,1,10,12,16-17H2,2H3,(H,31,32)/t23-/m1/s1","HCRPSFHFMMUNAR-HSZRJFAPSA-N",null,11.2,{"$nulls":4},7]
["D10158",17258,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50469227","CC(=C)c1ccc2c(c1)oc1nc(N)c(cc1c2=O)C(O)=O","InChI=1S/C16H12N2O4/c1-7(2)8-3-4-9-12(5-8)22-15-10(13(9)19)6-11(16(20)21)14(17)18-15/h3-6H,1H2,2H3,(H2,17,18)(H,20,21)","XQUAKFCOMISRTF-UHFFFAOYSA-N",null,2291]
["D10159",17006,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357932","CC(=C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O","InChI=1S/C16H12N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-6H,1H2,2H3,(H2,17,18)(H,20,21)","WOHGWLFCDWKHFJ-UHFFFAOYSA-N",null,1300]
["D10160",681,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201432","CC(=N)N1CCC(CC1)C(CS)C(O)=O","InChI=1S/C10H18N2O2S/c1-7(11)12-4-2-8(3-5-12)9(6-15)10(13)14/h8-9,11,15H,2-6H2,1H3,(H,13,14)","ODTIDKLOSIANQV-UHFFFAOYSA-N",null,5300]
["D10161",543,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197565","CC(=N)NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C)C(O)=O","InChI=1S/C27H49N5O5S/c1-18(28)29-15-9-8-12-21(25(34)35)31-38(36,37)32-22(16-19-10-6-5-7-11-19)24(33)30-23-17-20-13-14-27(23,4)26(20,2)3/h19-23,31-32H,5-17H2,1-4H3,(H2,28,29)(H,30,33)(H,34,35)/t20-,21+,22+,23+,27+/m1/s1","KDZLEJFZLYETPK-BXOWXZKISA-N",null,71]
["D10162",649,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197579","CC(=N)NCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C)C(O)=O","InChI=1S/C26H47N5O5S/c1-17(27)28-14-8-11-20(24(33)34)30-37(35,36)31-21(15-18-9-6-5-7-10-18)23(32)29-22-16-19-12-13-26(22,4)25(19,2)3/h18-22,30-31H,5-16H2,1-4H3,(H2,27,28)(H,29,32)(H,33,34)/t19-,20+,21+,22+,26+/m1/s1","OLGARYXRJUKFAM-RZFRIWOHSA-N",null,1500]
["D10163",4017,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66919","CC(=NNC(=O)CCC(=O)NCc1ccccc1)c1ccco1","InChI=1S/C17H19N3O3/c1-13(15-8-5-11-23-15)19-20-17(22)10-9-16(21)18-12-14-6-3-2-4-7-14/h2-8,11H,9-10,12H2,1H3,(H,18,21)(H,20,22)","JYGXPHKHBFYLTO-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10164",12325,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87287","CC(=NNC(=S)Nc1cc(ccc1Cl)S(=O)(=O)N1CCOCC1)c1ccccc1F","InChI=1S/C19H20ClFN4O3S2/c1-13(15-4-2-3-5-17(15)21)23-24-19(29)22-18-12-14(6-7-16(18)20)30(26,27)25-8-10-28-11-9-25/h2-7,12H,8-11H2,1H3,(H2,22,24,29)","LNBQYOKQPQNOKD-UHFFFAOYSA-N",null,">35873"]
["D10165",25761,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50323040","CC(=NOC(=O)Nc1ccccc1)c1cccc(c1)-c1cccs1","InChI=1S/C19H16N2O2S/c1-14(21-23-19(22)20-17-9-3-2-4-10-17)15-7-5-8-16(13-15)18-11-6-12-24-18/h2-13H,1H3,(H,20,22)","CQUWKHKELQQYRI-UHFFFAOYSA-N",null,">10000"]
["D10166",11906,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43052","CC(=NOCc1ccc(F)cc1Cl)c1ccc(CC#N)s1","InChI=1S/C15H12ClFN2OS/c1-10(15-5-4-13(21-15)6-7-18)19-20-9-11-2-3-12(17)8-14(11)16/h2-5,8H,6,9H2,1H3","DSGUUCKFTJMEJZ-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D10167",12057,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87310","CC(=O)C(=NNc1ccc2OCCOc2c1)C(C)=O","InChI=1S/C13H14N2O4/c1-8(16)13(9(2)17)15-14-10-3-4-11-12(7-10)19-6-5-18-11/h3-4,7,14H,5-6H2,1-2H3","ZEFDDIBCYYDKMT-UHFFFAOYSA-N",null,3109]
["D10168",31683,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50569085","CC(=O)C1=CC2C(O1)C(=O)c1ccccc1C2=O","InChI=1S/C14H10O4/c1-7(15)11-6-10-12(16)8-4-2-3-5-9(8)13(17)14(10)18-11/h2-6,10,14H,1H3","OCNSCSUKMXORLW-UHFFFAOYSA-N",null,880]
["D10169",13485,"6zfo_A",0.4,"Spike glycoprotein","Endochitinase B1 [E322A]","Aspergillus fumigatiaffinis","BDM19231282","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H4","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",null,null,33533.5033095744,{"$nulls":3},6.73721135472879]
["D10170",11812,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42969","CC(=O)CCc1ccc(OC(=O)c2cccnc2)cc1","InChI=1S/C16H15NO3/c1-12(18)4-5-13-6-8-15(9-7-13)20-16(19)14-3-2-10-17-11-14/h2-3,6-11H,4-5H2,1H3","TUCOBDCNZZTFND-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D10171",31637,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50104308","CC(=O)N(CC1NCC(O)C1O)Cc1ccccc1","InChI=1S/C14H20N2O3/c1-10(17)16(8-11-5-3-2-4-6-11)9-12-14(19)13(18)7-15-12/h2-6,12-15,18-19H,7-9H2,1H3","JZPNSLZLCQQFBF-UHFFFAOYSA-N",220000]
["D10172",15817,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276977","CC(=O)N1CC(C1)Oc1ccc(cc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C29H27N5O3/c1-19(35)34-17-24(18-34)37-28-7-4-21(14-22(28)16-30)25-8-9-31-29-26(25)15-27(32-29)20-2-5-23(6-3-20)33-10-12-36-13-11-33/h2-9,14-15,24H,10-13,17-18H2,1H3,(H,31,32)","AYOUPRSGLNUOAK-UHFFFAOYSA-N",null,51.1]
["D10173",15371,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277776","CC(=O)N1CCC(C1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C29H32N8O3/c1-20(38)37-9-8-26(16-37)40-27-7-2-21(14-22(27)15-30)28-31-19-32-29(34-28)33-23-3-5-24(6-4-23)35-10-12-36(13-11-35)25-17-39-18-25/h2-7,14,19,25-26H,8-13,16-18H2,1H3,(H,31,32,33,34)","GRUKSKBNNZNSTL-UHFFFAOYSA-N",null,20]
["D10174",16601,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50401936","CC(=O)N1CCC(CC1)C(=O)NCCCNc1nc(Nc2cccc(F)c2)ncc1Br","InChI=1S/C21H26BrFN6O2/c1-14(30)29-10-6-15(7-11-29)20(31)25-9-3-8-24-19-18(22)13-26-21(28-19)27-17-5-2-4-16(23)12-17/h2,4-5,12-13,15H,3,6-11H2,1H3,(H,25,31)(H2,24,26,27,28)","BMGILHOSVYBYGA-UHFFFAOYSA-N",null,430]
["D10175",14831,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277057","CC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(nc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C29H29N7O3/c1-19(37)35-10-8-24(9-11-35)39-25-7-4-21(16-22(25)17-30)26-27-29(32-18-31-26)34-28(33-27)20-2-5-23(6-3-20)36-12-14-38-15-13-36/h2-7,16,18,24H,8-15H2,1H3,(H,31,32,33,34)","GUDACHLLMSCLAF-UHFFFAOYSA-N",null,6.09,{"$nulls":4},7]
["D10176",16331,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357869","CC(=O)N1CCC(CC1)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O","InChI=1S/C20H19N3O5/c1-10(24)23-6-4-11(5-7-23)12-2-3-16-13(8-12)17(25)14-9-15(20(26)27)18(21)22-19(14)28-16/h2-3,8-9,11H,4-7H2,1H3,(H2,21,22)(H,26,27)","JLEKSULAPAVAGH-UHFFFAOYSA-N",null,160]
["D10177",17032,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144179","CC(=O)N1CCC(COc2ccc(cc2[N+]#[C-])-c2ccnc(Nc3ccc(CO)cn3)c2)CC1","InChI=1S/C26H27N5O3/c1-18(33)31-11-8-19(9-12-31)17-34-24-5-4-21(13-23(24)27-2)22-7-10-28-26(14-22)30-25-6-3-20(16-32)15-29-25/h3-7,10,13-15,19,32H,8-9,11-12,16-17H2,1H3,(H,28,29,30)","HBHPGTWFEZYILS-UHFFFAOYSA-N",null,1500,{"$nulls":4},7.5,"30.00 C"]
["D10178",16819,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144181","CC(=O)N1CCC(COc2ccc(cc2[N+]#[C-])-c2ccnc(Nc3ccc(cn3)N3CCOCC3)c2)CC1","InChI=1S/C29H32N6O3/c1-21(36)34-11-8-22(9-12-34)20-38-27-5-3-23(17-26(27)30-2)24-7-10-31-29(18-24)33-28-6-4-25(19-32-28)35-13-15-37-16-14-35/h3-7,10,17-19,22H,8-9,11-16,20H2,1H3,(H,31,32,33)","PMEYAHBGTDHJEZ-UHFFFAOYSA-N",null,810,{"$nulls":4},7.5,"30.00 C"]
["D10179",17575,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144180","CC(=O)N1CCC(COc2ccc(cc2[N+]#[C-])-c2ccnc(Nc3cnn(c3)C3CCNCC3)c2)CC1","InChI=1S/C28H33N7O2/c1-20(36)34-13-8-21(9-14-34)19-37-27-4-3-22(15-26(27)29-2)23-5-12-31-28(16-23)33-24-17-32-35(18-24)25-6-10-30-11-7-25/h3-5,12,15-18,21,25,30H,6-11,13-14,19H2,1H3,(H,31,33)","FXVJSXSUAHDVQQ-UHFFFAOYSA-N",null,6600,{"$nulls":4},7.5,"30.00 C"]
["D10180",16377,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205204","CC(=O)N1CCC(Cc2ccc(cc2)C(=O)Nc2sc(nc2C(N)=O)-c2ccncc2)CC1","InChI=1S/C24H25N5O3S/c1-15(30)29-12-8-17(9-13-29)14-16-2-4-18(5-3-16)22(32)28-24-20(21(25)31)27-23(33-24)19-6-10-26-11-7-19/h2-7,10-11,17H,8-9,12-14H2,1H3,(H2,25,31)(H,28,32)","HZEVCKGDYMCEKG-UHFFFAOYSA-N",null,200,{"$nulls":4},7.5,"30.00 C"]
["D10181",3674,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50132507","CC(=O)N1CCCn2nc(COc3ccccc3)cc12","InChI=1S/C15H17N3O2/c1-12(19)17-8-5-9-18-15(17)10-13(16-18)11-20-14-6-3-2-4-7-14/h2-4,6-7,10H,5,8-9,11H2,1H3","RVWOJJBVBVIEID-UHFFFAOYSA-N",{"$nulls":3},">10000"]
["D10182",16905,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397730","CC(=O)N1CCN(CC1)C(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C22H24N8O3/c1-14(31)29-4-6-30(7-5-29)21(32)13-26-17-8-16(10-24-18(17)9-23)19-11-27-20(12-25-19)28-22(33)15-2-3-15/h8,10-12,15,26H,2-7,13H2,1H3,(H,27,28,33)","GXOLZFJTHPXZPH-UHFFFAOYSA-N",null,1000]
["D10183",4292,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66394","CC(=O)N1CCN(CC1)C(=S)c1ccc(cc1)[N+]([O-])=O","InChI=1S/C13H15N3O3S/c1-10(17)14-6-8-15(9-7-14)13(20)11-2-4-12(5-3-11)16(18)19/h2-5H,6-9H2,1H3","JYZOVCDCAWPUTB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10184",4681,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66618","CC(=O)N1CCN(CC1)C1C(NS(=O)(=O)c2ccccc2)c2cccc3cccc1c23","InChI=1S/C24H25N3O3S/c1-17(28)26-13-15-27(16-14-26)24-21-12-6-8-18-7-5-11-20(22(18)21)23(24)25-31(29,30)19-9-3-2-4-10-19/h2-12,23-25H,13-16H2,1H3","NSUCEMBQGAHZDC-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10185",11993,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43125","CC(=O)N1CCN(CC1)c1ccc(NC(=O)\\C=C\\c2ccccc2)cc1","InChI=1S/C21H23N3O2/c1-17(25)23-13-15-24(16-14-23)20-10-8-19(9-11-20)22-21(26)12-7-18-5-3-2-4-6-18/h2-12H,13-16H2,1H3,(H,22,26)/b12-7+","QVTZKYARVQLHPG-KPKJPENVSA-N",{"$nulls":3},">79370"]
["D10186",15005,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277789","CC(=O)N1CCN(CC1)c1ccc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cc1","InChI=1S/C27H29N7O3/c1-19(35)33-10-12-34(13-11-33)23-5-3-22(4-6-23)31-27-30-18-29-26(32-27)20-2-7-25(21(16-20)17-28)37-24-8-14-36-15-9-24/h2-7,16,18,24H,8-15H2,1H3,(H,29,30,31,32)","RZSCALBGZVGSKD-UHFFFAOYSA-N",null,1]
["D10187",12119,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM3917","CC(=O)N1CCN(CC1)c1ccc(Oc2ncnc3sccc23)cc1","InChI=1S/C18H18N4O2S/c1-13(23)21-7-9-22(10-8-21)14-2-4-15(5-3-14)24-17-16-6-11-25-18(16)20-12-19-17/h2-6,11-12H,7-10H2,1H3","LLIQEOSLSNUEPQ-UHFFFAOYSA-N",null,4790]
["D10188",12211,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87333","CC(=O)N1CCN(CC1)c1ncnc2ccccc12","InChI=1S/C14H16N4O/c1-11(19)17-6-8-18(9-7-17)14-12-4-2-3-5-13(12)15-10-16-14/h2-5,10H,6-9H2,1H3","IFRJYGYBDLCAKJ-UHFFFAOYSA-N",null,8944]
["D10189",16295,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205201","CC(=O)N1CCN(Cc2ccc(cc2)C(=O)Nc2sc(nc2C(N)=O)-c2ccncc2)CC1","InChI=1S/C23H24N6O3S/c1-15(30)29-12-10-28(11-13-29)14-16-2-4-17(5-3-16)21(32)27-23-19(20(24)31)26-22(33-23)18-6-8-25-9-7-18/h2-9H,10-14H2,1H3,(H2,24,31)(H,27,32)","XAJOPTJESFDNGL-UHFFFAOYSA-N",null,140,{"$nulls":4},7.5,"30.00 C"]
["D10190",16854,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478658","CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3nc(C)no3)c2)CC1","InChI=1S/C22H24N8O2/c1-14-24-21(32-28-14)17-3-4-18-19(12-17)26-22(25-18)27-20-11-16(5-6-23-20)13-29-7-9-30(10-8-29)15(2)31/h3-6,11-12H,7-10,13H2,1-2H3,(H2,23,25,26,27)","QXRSOPUZASBHLV-UHFFFAOYSA-N",null,990]
["D10191",17533,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478440","CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ncnc(C)c3C)c2)CC1","InChI=1S/C25H28N8O/c1-16-17(2)27-15-28-24(16)20-4-5-21-22(13-20)30-25(29-21)31-23-12-19(6-7-26-23)14-32-8-10-33(11-9-32)18(3)34/h4-7,12-13,15H,8-11,14H2,1-3H3,(H2,26,29,30,31)","NPODHJZWICHJMK-UHFFFAOYSA-N",null,5190]
["D10192",17346,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278079","CC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)C3CCNCC3)n2)C(F)(F)C1","InChI=1S/C28H29F2N7O2/c1-18(38)37-13-10-25(28(29,30)16-37)39-24-7-4-21(14-22(24)15-31)26-33-17-34-27(36-26)35-23-5-2-19(3-6-23)20-8-11-32-12-9-20/h2-7,14,17,20,25,32H,8-13,16H2,1H3,(H,33,34,35,36)/t25-/m0/s1","WYPVUHJMFDLNSM-VWLOTQADSA-N",null,3000,{"$nulls":4},7]
["D10193",14653,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278067","CC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C30H33FN8O3/c1-20(40)39-9-8-28(26(31)16-39)42-27-7-2-21(14-22(27)15-32)29-33-19-34-30(36-29)35-23-3-5-24(6-4-23)37-10-12-38(13-11-37)25-17-41-18-25/h2-7,14,19,25-26,28H,8-13,16-18H2,1H3,(H,33,34,35,36)/t26-,28+/m1/s1","VPQDZLMZJWQPHY-IAPPQJPRSA-N",null,4]
["D10194",14647,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278008","CC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCO[C@@H](CO)C3)n2)C(F)(F)C1","InChI=1S/C28H29F2N7O4/c1-18(39)37-9-8-25(28(29,30)16-37)41-24-7-2-19(12-20(24)13-31)26-32-17-33-27(35-26)34-21-3-5-22(6-4-21)36-10-11-40-23(14-36)15-38/h2-7,12,17,23,25,38H,8-11,14-16H2,1H3,(H,32,33,34,35)/t23-,25+/m1/s1","JCKZOZMUPGMZAM-NOZRDPDXSA-N",null,4]
["D10195",14746,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278259","CC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)S(C)(=N)=O)n2)C(F)(F)C1","InChI=1S/C24H23F2N7O3S/c1-15(34)33-10-9-21(24(25,26)13-33)36-20-8-3-16(11-17(20)12-27)22-29-14-30-23(32-22)31-18-4-6-19(7-5-18)37(2,28)35/h3-8,11,14,21,28H,9-10,13H2,1-2H3,(H,29,30,31,32)/t21-,37?/m0/s1","SUGGCBUBUXYRSO-CTRYDFCHSA-N",null,5]
["D10196",32052,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM38117","CC(=O)N1CCc2cc(ccc12)S(=O)(=O)NC1CCCc2ccccc12","InChI=1S/C20H22N2O3S/c1-14(23)22-12-11-16-13-17(9-10-20(16)22)26(24,25)21-19-8-4-6-15-5-2-3-7-18(15)19/h2-3,5,7,9-10,13,19,21H,4,6,8,11-12H2,1H3","BJRDSGROVGTIMG-UHFFFAOYSA-N",null,">55700"]
["D10197",32182,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43621","CC(=O)N1N=C(OC1(C)CC(=O)Nc1ccccc1)c1ccccc1O","InChI=1S/C19H19N3O4/c1-13(23)22-19(2,12-17(25)20-14-8-4-3-5-9-14)26-18(21-22)15-10-6-7-11-16(15)24/h3-11,24H,12H2,1-2H3,(H,20,25)","GRXLCSNHHPZVSK-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D10198",13486,"6zfo_A",0.4,"Spike glycoprotein","Endochitinase B1 [E322A]","Aspergillus fumigatiaffinis","BDM19231477","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s2","FOZYKTUSOWWQGR-KNPYFFGGSA-N",null,null,33534.1377987699,{"$nulls":3},6.73721179610063]
["D10199",32149,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43706","CC(=O)NC(=S)Nc1sc2CCCCCc2c1C#N","InChI=1S/C13H15N3OS2/c1-8(17)15-13(18)16-12-10(7-14)9-5-3-2-4-6-11(9)19-12/h2-6H2,1H3,(H2,15,16,17,18)","WPGXCVNKRVJMDY-UHFFFAOYSA-N",{"$nulls":3},">55690",null,null,7.8,"22.00 C"]
["D10200",12030,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43161","CC(=O)NC1=NC(=O)\\C(S1)=C\\c1cc(C)n(c1C)-c1ccc(NC(C)=O)cc1","InChI=1S/C20H20N4O3S/c1-11-9-15(10-18-19(27)23-20(28-18)22-14(4)26)12(2)24(11)17-7-5-16(6-8-17)21-13(3)25/h5-10H,1-4H3,(H,21,25)(H,22,23,26,27)/b18-10-","YCSINBDUZCISEJ-ZDLGFXPLSA-N",{"$nulls":3},">79370"]
["D10201",16882,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246058","CC(=O)NC1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1","InChI=1S/C26H29N9O2/c1-18(36)31-23-5-7-35(17-23)25-19(13-27)12-20(14-30-25)24-4-6-28-26(33-24)32-21-2-3-22(29-15-21)16-34-8-10-37-11-9-34/h2-4,6,12,14-15,23H,5,7-11,16-17H2,1H3,(H,31,36)(H,28,32,33)","RLBUZTXYXGIIKV-UHFFFAOYSA-N",null,"<1000",{"$nulls":4},7.5]
["D10202",15897,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277830","CC(=O)NCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C32H37N9O4/c1-22(42)34-18-30(43)41-10-8-28(9-11-41)45-29-7-2-23(16-24(29)17-33)31-35-21-36-32(38-31)37-25-3-5-26(6-4-25)39-12-14-40(15-13-39)27-19-44-20-27/h2-7,16,21,27-28H,8-15,18-20H2,1H3,(H,34,42)(H,35,36,37,38)","RCIITFDXUBZNTB-UHFFFAOYSA-N",null,65]
["D10203",16880,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246054","CC(=O)NCC1CCCN1c1ncc(cc1C#N)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1","InChI=1S/C27H31N9O2/c1-19(37)30-17-24-3-2-8-36(24)26-20(14-28)13-21(15-32-26)25-6-7-29-27(34-25)33-22-4-5-23(31-16-22)18-35-9-11-38-12-10-35/h4-7,13,15-16,24H,2-3,8-12,17-18H2,1H3,(H,30,37)(H,29,33,34)","FWKSFMRDEKRKQE-UHFFFAOYSA-N",null,"<1000",{"$nulls":4},7.5]
["D10204",32191,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43630","CC(=O)NCCC(=O)N1CCc2c([nH]c3ccccc23)C1c1cccc(C)c1","InChI=1S/C23H25N3O2/c1-15-6-5-7-17(14-15)23-22-19(18-8-3-4-9-20(18)25-22)11-13-26(23)21(28)10-12-24-16(2)27/h3-9,14,23,25H,10-13H2,1-2H3,(H,24,27)","OIRWIFYRSKBEKS-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D10205",32199,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43638","CC(=O)NCCC(=O)N1CCc2c([nH]c3ccccc23)C1c1cccc(Cl)c1","InChI=1S/C22H22ClN3O2/c1-14(27)24-11-9-20(28)26-12-10-18-17-7-2-3-8-19(17)25-21(18)22(26)15-5-4-6-16(23)13-15/h2-8,13,22,25H,9-12H2,1H3,(H,24,27)","CSFZGMRLKJZHPJ-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D10206",740,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197568","CC(=O)NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C)C(O)=O","InChI=1S/C27H48N4O6S/c1-18(32)28-15-9-8-12-21(25(34)35)30-38(36,37)31-22(16-19-10-6-5-7-11-19)24(33)29-23-17-20-13-14-27(23,4)26(20,2)3/h19-23,30-31H,5-17H2,1-4H3,(H,28,32)(H,29,33)(H,34,35)/t20-,21+,22+,23+,27+/m1/s1","KICGILUGWUOIGK-BXOWXZKISA-N",null,">30000"]
["D10207",31798,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43595","CC(=O)Nc1c(Cl)n(C(C)=O)c2ccccc12","InChI=1S/C12H11ClN2O2/c1-7(16)14-11-9-5-3-4-6-10(9)15(8(2)17)12(11)13/h3-6H,1-2H3,(H,14,16)","APVRWJPHJGBMDM-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D10208",12439,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42953","CC(=O)Nc1c(O)nc(SCC(=O)Nc2ccc(cc2)C(C)=O)[nH]c1=O","InChI=1S/C16H16N4O5S/c1-8(21)10-3-5-11(6-4-10)18-12(23)7-26-16-19-14(24)13(15(25)20-16)17-9(2)22/h3-6H,7H2,1-2H3,(H,17,22)(H,18,23)(H2,19,20,24,25)","NXBYSAUMRIODKH-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D10209",16364,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209676","CC(=O)Nc1cc(NC(=O)c2cc(cnc2N)-c2ccc(CN3CCOCC3)s2)ccn1","InChI=1S/C22H24N6O3S/c1-14(29)26-20-11-16(4-5-24-20)27-22(30)18-10-15(12-25-21(18)23)19-3-2-17(32-19)13-28-6-8-31-9-7-28/h2-5,10-12H,6-9,13H2,1H3,(H2,23,25)(H2,24,26,27,29,30)","CYSDRDWNFDQHMX-UHFFFAOYSA-N",null,190,{"$nulls":4},7.5,"30.00 C"]
["D10210",11756,"7nxa_C",0.5,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDM25466","CC(=O)Nc1cc2C(=O)c3ccccc3-c2cc1[N+]([O-])=O","InChI=1S/C15H10N2O4/c1-8(18)16-13-6-12-11(7-14(13)17(20)21)9-4-2-3-5-10(9)15(12)19/h2-7H,1H3,(H,16,18)","NKZAKQSPBYLXCN-UHFFFAOYSA-N",null,null,31790,{"$nulls":3},7.5,"30.00 C"]
["D10211",25755,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50470386","CC(=O)Nc1cc[n+](CCCCCCCCCC[n+]2ccc(NC(C)=O)c3ccccc23)c2ccccc12","InChI=1S/C32H38N4O2/c1-25(37)33-29-19-23-35(31-17-11-9-15-27(29)31)21-13-7-5-3-4-6-8-14-22-36-24-20-30(34-26(2)38)28-16-10-12-18-32(28)36/h9-12,15-20,23-24H,3-8,13-14,21-22H2,1-2H3/p+2","KROGMUTXVOYXLC-UHFFFAOYSA-P",null,4500]
["D10212",4197,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67080","CC(=O)Nc1ccc(C(=O)CN2C(=O)NC3(CCCc4ccccc34)C2=O)c(F)c1","InChI=1S/C22H20FN3O4/c1-13(27)24-15-8-9-16(18(23)11-15)19(28)12-26-20(29)22(25-21(26)30)10-4-6-14-5-2-3-7-17(14)22/h2-3,5,7-9,11H,4,6,10,12H2,1H3,(H,24,27)(H,25,30)","WWGKNZAIVLPKNZ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10213",4058,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66952","CC(=O)Nc1ccc(NC(=O)C(=O)NCC(N2CCc3ccccc23)c2ccco2)cc1","InChI=1S/C24H24N4O4/c1-16(29)26-18-8-10-19(11-9-18)27-24(31)23(30)25-15-21(22-7-4-14-32-22)28-13-12-17-5-2-3-6-20(17)28/h2-11,14,21H,12-13,15H2,1H3,(H,25,30)(H,26,29)(H,27,31)","GRPSYXGLXQDTDB-UHFFFAOYSA-N",{"$nulls":3},32520]
["D10214",4278,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66271","CC(=O)Nc1ccc(NC(=O)c2cc(C)nn2-c2ccccc2)cc1","InChI=1S/C19H18N4O2/c1-13-12-18(23(22-13)17-6-4-3-5-7-17)19(25)21-16-10-8-15(9-11-16)20-14(2)24/h3-12H,1-2H3,(H,20,24)(H,21,25)","OQOBQQNGAFERQA-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10215",15597,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148125","CC(=O)Nc1ccc(Nc2nccc(n2)-c2ccc(N3CC(O)C3)c(c2)C#N)cn1","InChI=1S/C21H19N7O2/c1-13(29)25-20-5-3-16(10-24-20)26-21-23-7-6-18(27-21)14-2-4-19(15(8-14)9-22)28-11-17(30)12-28/h2-8,10,17,30H,11-12H2,1H3,(H,23,26,27)(H,24,25,29)","ULOABNKVPRZZBK-UHFFFAOYSA-N",null,"<30",{"$nulls":4},7.5]
["D10216",15571,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148075","CC(=O)Nc1ccc(Nc2nccc(n2)-c2ccc(N3CCCC3)c(c2)C#N)cc1","InChI=1S/C23H22N6O/c1-16(30)26-19-5-7-20(8-6-19)27-23-25-11-10-21(28-23)17-4-9-22(18(14-17)15-24)29-12-2-3-13-29/h4-11,14H,2-3,12-13H2,1H3,(H,26,30)(H,25,27,28)","BQBPOQRFTQYPTN-UHFFFAOYSA-N",null,"<30",{"$nulls":4},7.5]
["D10217",15574,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148081","CC(=O)Nc1ccc(Nc2nccc(n2)-c2ccc(N3CCCC3)c(c2)C#N)cn1","InChI=1S/C22H21N7O/c1-15(30)26-21-7-5-18(14-25-21)27-22-24-9-8-19(28-22)16-4-6-20(17(12-16)13-23)29-10-2-3-11-29/h4-9,12,14H,2-3,10-11H2,1H3,(H,24,27,28)(H,25,26,30)","ISBAEZZZSBUUNU-UHFFFAOYSA-N",null,"<30",{"$nulls":4},7.5]
["D10218",16504,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148116","CC(=O)Nc1ccc(Nc2nccc(n2)-c2ccc(N3CCC[C@@H]3C(N)=O)c(c2)C#N)cn1","InChI=1S/C23H22N8O2/c1-14(32)28-21-7-5-17(13-27-21)29-23-26-9-8-18(30-23)15-4-6-19(16(11-15)12-24)31-10-2-3-20(31)22(25)33/h4-9,11,13,20H,2-3,10H2,1H3,(H2,25,33)(H,26,29,30)(H,27,28,32)/t20-/m1/s1","UVDGBQZYCWLDNX-HXUWFJFHSA-N",null,"<300",{"$nulls":4},7.5]
["D10219",16509,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148129","CC(=O)Nc1ccc(Nc2nccc(n2)-c2ccc(N3CCC[C@H]3C(N)=O)c(c2)C#N)cn1","InChI=1S/C23H22N8O2/c1-14(32)28-21-7-5-17(13-27-21)29-23-26-9-8-18(30-23)15-4-6-19(16(11-15)12-24)31-10-2-3-20(31)22(25)33/h4-9,11,13,20H,2-3,10H2,1H3,(H2,25,33)(H,26,29,30)(H,27,28,32)/t20-/m0/s1","UVDGBQZYCWLDNX-FQEVSTJZSA-N",null,"<300",{"$nulls":4},7.5]
["D10220",15590,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148112","CC(=O)Nc1ccc(Nc2nccc(n2)-c2ccc(N3CCOCC3)c(c2)C#N)cn1","InChI=1S/C22H21N7O2/c1-15(30)26-21-5-3-18(14-25-21)27-22-24-7-6-19(28-22)16-2-4-20(17(12-16)13-23)29-8-10-31-11-9-29/h2-7,12,14H,8-11H2,1H3,(H,24,27,28)(H,25,26,30)","JLVONXLIOXMPBA-UHFFFAOYSA-N",null,"<30",{"$nulls":4},7.5]
["D10221",15600,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148132","CC(=O)Nc1ccc(Nc2nccc(n2)-c2ccc(N3CC[C@@H](O)C3)c(c2)C#N)cn1","InChI=1S/C22H21N7O2/c1-14(30)26-21-5-3-17(12-25-21)27-22-24-8-6-19(28-22)15-2-4-20(16(10-15)11-23)29-9-7-18(31)13-29/h2-6,8,10,12,18,31H,7,9,13H2,1H3,(H,24,27,28)(H,25,26,30)/t18-/m1/s1","HNZHNMAWIKSPKY-GOSISDBHSA-N",null,"<30",{"$nulls":4},7.5]
["D10222",15591,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148114","CC(=O)Nc1ccc(Nc2nccc(n2)-c2ccc(N3CC[C@H](O)C3)c(c2)C#N)cn1","InChI=1S/C22H21N7O2/c1-14(30)26-21-5-3-17(12-25-21)27-22-24-8-6-19(28-22)15-2-4-20(16(10-15)11-23)29-9-7-18(31)13-29/h2-6,8,10,12,18,31H,7,9,13H2,1H3,(H,24,27,28)(H,25,26,30)/t18-/m0/s1","HNZHNMAWIKSPKY-SFHVURJKSA-N",null,"<30",{"$nulls":4},7.5]
["D10223",15629,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245936","CC(=O)Nc1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1","InChI=1S/C21H19FN8O/c1-13(31)27-19-3-2-17(11-25-19)28-21-24-6-4-18(29-21)15-8-14(9-23)20(26-10-15)30-7-5-16(22)12-30/h2-4,6,8,10-11,16H,5,7,12H2,1H3,(H,24,28,29)(H,25,27,31)/t16-/m0/s1","VKTBRZGGIJAVNS-INIZCTEOSA-N",null,"<30",{"$nulls":4},7.5]
["D10224",16874,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246017","CC(=O)Nc1ccc(Nc2nccc(n2)-c2cnc(NC3CCOC3)c(c2)C#N)cn1","InChI=1S/C21H20N8O2/c1-13(30)26-19-3-2-16(11-24-19)28-21-23-6-4-18(29-21)15-8-14(9-22)20(25-10-15)27-17-5-7-31-12-17/h2-4,6,8,10-11,17H,5,7,12H2,1H3,(H,25,27)(H,23,28,29)(H,24,26,30)","SZYMGCQCKRKJKS-UHFFFAOYSA-N",null,"<1000",{"$nulls":4},7.5]
["D10225",14920,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278315","CC(=O)Nc1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)C3CCC(=O)N3)c(c2)C#N)cn1","InChI=1S/C27H26FN9O4/c1-15(38)33-23-6-3-18(12-30-23)34-27-32-14-31-25(36-27)16-2-5-21(17(10-16)11-29)41-22-8-9-37(13-19(22)28)26(40)20-4-7-24(39)35-20/h2-3,5-6,10,12,14,19-20,22H,4,7-9,13H2,1H3,(H,35,39)(H,30,33,38)(H,31,32,34,36)/t19-,20?,22+/m1/s1","LFIICVBYLDDKEE-OBIJOXKXSA-N",null,8]
["D10226",12297,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87288","CC(=O)Nc1ccc(SCC(=O)c2cc(C)n(c2C)-c2ccccc2)cc1","InChI=1S/C22H22N2O2S/c1-15-13-21(16(2)24(15)19-7-5-4-6-8-19)22(26)14-27-20-11-9-18(10-12-20)23-17(3)25/h4-13H,14H2,1-3H3,(H,23,25)","GGANWJAAWUFWNR-UHFFFAOYSA-N",null,">35863"]
["D10227",12298,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87281","CC(=O)Nc1ccc(SCC(=O)c2cc(C)n(c2C)-c2ccccc2F)cc1","InChI=1S/C22H21FN2O2S/c1-14-12-19(15(2)25(14)21-7-5-4-6-20(21)23)22(27)13-28-18-10-8-17(9-11-18)24-16(3)26/h4-12H,13H2,1-3H3,(H,24,26)","MGZWLXSSVYYBCV-UHFFFAOYSA-N",null,">35864"]
["D10228",4140,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67026","CC(=O)Nc1ccc(SCCN2CC[C@H](CCC2=O)C(C)(C)C)cc1","InChI=1S/C20H30N2O2S/c1-15(23)21-17-6-8-18(9-7-17)25-14-13-22-12-11-16(20(2,3)4)5-10-19(22)24/h6-9,16H,5,10-14H2,1-4H3,(H,21,23)/t16-/m0/s1","SPTOBYMWCCVNAY-INIZCTEOSA-N",{"$nulls":3},">350000"]
["D10229",4141,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67027","CC(=O)Nc1ccc(SC[C@H](Cc2ccccc2)N2CC[C@H](CCC2=O)C(C)(C)C)cc1","InChI=1S/C27H36N2O2S/c1-20(30)28-23-11-13-25(14-12-23)32-19-24(18-21-8-6-5-7-9-21)29-17-16-22(27(2,3)4)10-15-26(29)31/h5-9,11-14,22,24H,10,15-19H2,1-4H3,(H,28,30)/t22-,24-/m0/s1","KUOBJHKTSNZISM-UPVQGACJSA-N",{"$nulls":3},">350000"]
["D10230",3877,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66799","CC(=O)Nc1ccc(c(CS(=O)(=O)c2ccc(C)cc2)c1[N+]([O-])=O)[N+]([O-])=O","InChI=1S/C16H15N3O7S/c1-10-3-5-12(6-4-10)27(25,26)9-13-15(18(21)22)8-7-14(17-11(2)20)16(13)19(23)24/h3-8H,9H2,1-2H3,(H,17,20)","DMOKNIISTHCWCX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10231",32129,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46419","CC(=O)Nc1ccc(cc1)-c1csc(Nc2ccc(Cl)cn2)n1","InChI=1S/C16H13ClN4OS/c1-10(22)19-13-5-2-11(3-6-13)14-9-23-16(20-14)21-15-7-4-12(17)8-18-15/h2-9H,1H3,(H,19,22)(H,18,20,21)","UDSNOORISARPQX-UHFFFAOYSA-N",null,">55700"]
["D10232",4097,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66984","CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC2CCCCC12","InChI=1S/C17H24N2O3S/c1-13(20)18-15-8-10-16(11-9-15)23(21,22)19-12-4-6-14-5-2-3-7-17(14)19/h8-11,14,17H,2-7,12H2,1H3,(H,18,20)","VEOJWDIOGYOBBZ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10233",4663,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66603","CC(=O)Nc1ccc(cc1)S(=O)(=O)NCCc1ccccn1","InChI=1S/C15H17N3O3S/c1-12(19)18-14-5-7-15(8-6-14)22(20,21)17-11-9-13-4-2-3-10-16-13/h2-8,10,17H,9,11H2,1H3,(H,18,19)","YYLWACQAJWPICG-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10234",12307,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87311","CC(=O)Nc1ccc(cc1)\\[NH+]=c1/scc(-c2ccc(C)cc2)n1CC=C","InChI=1S/C21H21N3OS/c1-4-13-24-20(17-7-5-15(2)6-8-17)14-26-21(24)23-19-11-9-18(10-12-19)22-16(3)25/h4-12,14H,1,13H2,2-3H3,(H,22,25)/p+1/b23-21-","WSLHFAQQHMYLCE-LNVKXUELSA-O",null,">35867"]
["D10235",15274,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277044","CC(=O)Nc1ccc(cn1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C26H23N5O3/c1-16(32)30-25-5-3-18(15-29-25)23-13-22-21(6-9-28-26(22)31-23)17-2-4-24(19(12-17)14-27)34-20-7-10-33-11-8-20/h2-6,9,12-13,15,20H,7-8,10-11H2,1H3,(H,28,31)(H,29,30,32)","YXLPNLVTKVQNGW-UHFFFAOYSA-N",null,15.8]
["D10236",15569,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148073","CC(=O)Nc1cccc(Nc2nccc(n2)-c2ccc(N3CCCC3)c(c2)C#N)c1","InChI=1S/C23H22N6O/c1-16(30)26-19-5-4-6-20(14-19)27-23-25-10-9-21(28-23)17-7-8-22(18(13-17)15-24)29-11-2-3-12-29/h4-10,13-14H,2-3,11-12H2,1H3,(H,26,30)(H,25,27,28)","CNJHTAHVDZUFMJ-UHFFFAOYSA-N",null,"<30",{"$nulls":4},7.5]
["D10237",3523,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565068","CC(=O)Nc1cnc(nc1)-n1ncc2CC(CCc2c1=O)c1ccc(C)cc1C","InChI=1S/C22H23N5O2/c1-13-4-6-19(14(2)8-13)16-5-7-20-17(9-16)10-25-27(21(20)29)22-23-11-18(12-24-22)26-15(3)28/h4,6,8,10-12,16H,5,7,9H2,1-3H3,(H,26,28)","XJQCSXZLHFRKRW-UHFFFAOYSA-N",null,"<500"]
["D10238",3530,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565077","CC(=O)Nc1cnc(nc1)-n1ncc2CC(CCc2c1=O)c1cccc(OC2CC2)c1C","InChI=1S/C24H25N5O3/c1-14-20(4-3-5-22(14)32-19-7-8-19)16-6-9-21-17(10-16)11-27-29(23(21)31)24-25-12-18(13-26-24)28-15(2)30/h3-5,11-13,16,19H,6-10H2,1-2H3,(H,28,30)","FYESWGDPNYSZEV-UHFFFAOYSA-N",null,"<500"]
["D10239",3620,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565086","CC(=O)Nc1cnc(nc1)-n1ncc2C[C@@H](CCc2c1=O)c1ccc(C)cc1C","InChI=1S/C22H23N5O2/c1-13-4-6-19(14(2)8-13)16-5-7-20-17(9-16)10-25-27(21(20)29)22-23-11-18(12-24-22)26-15(3)28/h4,6,8,10-12,16H,5,7,9H2,1-3H3,(H,26,28)/t16-/m1/s1","XJQCSXZLHFRKRW-MRXNPFEDSA-N",null,15500]
["D10240",3536,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565087","CC(=O)Nc1cnc(nc1)-n1ncc2C[C@H](CCc2c1=O)c1ccc(C)cc1C","InChI=1S/C22H23N5O2/c1-13-4-6-19(14(2)8-13)16-5-7-20-17(9-16)10-25-27(21(20)29)22-23-11-18(12-24-22)26-15(3)28/h4,6,8,10-12,16H,5,7,9H2,1-3H3,(H,26,28)/t16-/m0/s1","XJQCSXZLHFRKRW-INIZCTEOSA-N",null,"<500"]
["D10241",4641,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM65422","CC(=O)Nc1ncnc2n(nc(-c3ccc(Cl)cc3)c12)C(C)(C)C","InChI=1S/C17H18ClN5O/c1-10(24)21-15-13-14(11-5-7-12(18)8-6-11)22-23(17(2,3)4)16(13)20-9-19-15/h5-9H,1-4H3,(H,19,20,21,24)","AMPNGSZBNPNLCY-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10242",4474,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66445","CC(=O)Nc1sc(N=NCc2cccc(Cl)c2)nc1-c1cccs1","InChI=1S/C16H13ClN4OS2/c1-10(22)19-15-14(13-6-3-7-23-13)20-16(24-15)21-18-9-11-4-2-5-12(17)8-11/h2-8H,9H2,1H3,(H,19,22)","SZHPWIQSKABBKN-UHFFFAOYSA-N",{"$nulls":3},43980]
["D10243",3863,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66787","CC(=O)OC(C)(C)\\C=C\\C(=O)C(C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(CC[C@@H](O)C4(C)C)[C@]3(CO)C(=O)C[C@]12C","InChI=1S/C32H48O8/c1-18(34)40-27(2,3)14-13-24(37)31(8,39)26-21(35)15-29(6)22-11-9-19-20(10-12-23(36)28(19,4)5)32(22,17-33)25(38)16-30(26,29)7/h9,13-14,20-23,26,33,35-36,39H,10-12,15-17H2,1-8H3/b14-13+/t20?,21-,22?,23-,26?,29+,30-,31?,32+/m1/s1","DGIGXLXLGBAJJN-GAOPQPCESA-N",{"$nulls":3},">350000"]
["D10244",4171,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM50241422","CC(=O)OC(C)(C)\\C=C\\C(=O)[C@@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C","InChI=1S/C32H46O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19-22,25,34-35,39H,11,14-16H2,1-9H3/b13-12+/t19-,20+,21-,22+,25+,29+,30-,31+,32-/m1/s1","IXQKXEUSCPEQRD-LBZJXHIISA-N",{"$nulls":3},">350000"]
["D10245",18550,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50015857","CC(=O)OCC1=C(N2[C@@H]([C@@H](OC(=O)Cc3ccccc3)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C","InChI=1S/C22H25NO9S/c1-13(24)30-11-15-12-33(28,29)20-18(31-16(25)10-14-8-6-5-7-9-14)19(26)23(20)17(15)21(27)32-22(2,3)4/h5-9,18,20H,10-12H2,1-4H3/t18-,20+/m0/s1","SSACDUNHDNYWAZ-AZUAARDMSA-N",null,20000]
["D10246",18544,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50015876","CC(=O)OCC1=C(N2[C@@H]([C@@H](OC(C)=O)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C","InChI=1S/C16H21NO9S/c1-8(18)24-6-10-7-27(22,23)14-12(25-9(2)19)13(20)17(14)11(10)15(21)26-16(3,4)5/h12,14H,6-7H2,1-5H3/t12-,14+/m0/s1","BLNBFCPVEGNWAN-GXTWGEPZSA-N",null,2000]
["D10247",18543,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50015856","CC(=O)OCC1=C(N2[C@@H]([C@@H](OC=O)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C","InChI=1S/C15H19NO9S/c1-8(18)23-5-9-6-26(21,22)13-11(24-7-17)12(19)16(13)10(9)14(20)25-15(2,3)4/h7,11,13H,5-6H2,1-4H3/t11-,13+/m0/s1","DEYBDQMVEJEJKS-WCQYABFASA-N",null,400]
["D10248",3765,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM33097","CC(=O)OCCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O","InChI=1S/C18H15N5O5S2/c1-10(24)27-8-4-7-19-12-9-14(15-16(22-28-21-15)17(12)23(25)26)30-18-20-11-5-2-3-6-13(11)29-18/h2-3,5-6,9,19H,4,7-8H2,1H3","JVJXCUAWYNIAOL-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10249",4696,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66626","CC(=O)OCCn1c2cc(C)c(C)cc2nc2c1nc(=O)[nH]c2=O","InChI=1S/C16H16N4O4/c1-8-6-11-12(7-9(8)2)20(4-5-24-10(3)21)14-13(17-11)15(22)19-16(23)18-14/h6-7H,4-5H2,1-3H3,(H,19,22,23)","PVRDHKBVCDWVPD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10250",4168,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67052","CC(=O)OC[C@]12CC[C@H]3[C@@](C)(CC[C@H]4C(C)(C)CCC[C@]34C)[C@@H]1C[C@@H](O2)C1=CC(=O)O[C@H]1OC(C)=O","InChI=1S/C29H42O7/c1-17(30)33-16-29-13-9-22-27(5)11-7-10-26(3,4)21(27)8-12-28(22,6)23(29)15-20(36-29)19-14-24(32)35-25(19)34-18(2)31/h14,20-23,25H,7-13,15-16H2,1-6H3/t20-,21+,22-,23+,25-,27+,28-,29-/m1/s1","RJZULDNPMPWJSC-RDLBUUDNSA-N",{"$nulls":3},3270]
["D10251",4169,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67053","CC(=O)OC[C@]12CC[C@H]3[C@@](C)(CC[C@H]4C(C)(C)CCC[C@]34C)[C@@H]1C[C@H](O2)C1=CC(=O)O[C@@H]1OC(C)=O","InChI=1S/C29H42O7/c1-17(30)33-16-29-13-9-22-27(5)11-7-10-26(3,4)21(27)8-12-28(22,6)23(29)15-20(36-29)19-14-24(32)35-25(19)34-18(2)31/h14,20-23,25H,7-13,15-16H2,1-6H3/t20-,21-,22+,23-,25-,27-,28+,29+/m0/s1","RJZULDNPMPWJSC-UNYUUCQMSA-N",{"$nulls":3},4980]
["D10252",28583,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50377979","CC(=O)O[C@H]1C[C@@H]2CC[C@H]3[C@@H]4CC[C@@H]([C@H](OC(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1)[N+]1(C)CCCCC1","InChI=1S/C36H62N2O4/c1-25(39)41-33-23-27-13-14-28-29-15-16-31(37(5)19-9-7-10-20-37)34(42-26(2)40)35(29,3)18-17-30(28)36(27,4)24-32(33)38(6)21-11-8-12-22-38/h27-34H,7-24H2,1-6H3/q+2/t27-,28-,29-,30-,31-,32-,33-,34-,35-,36-/m0/s1","DNSUNIVBNFRDPO-NZDHSCANSA-N",16000]
["D10253",25940,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 2","Homo sapiens","BDBM50242184","CC(=O)O[C@H]1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]2CC=C(C=O)[C@H](C=O)[C@@]12C","InChI=1S/C27H40O4/c1-17(30)31-23-14-22-25(4)12-7-11-24(2,3)20(25)10-13-26(22,5)21-9-8-18(15-28)19(16-29)27(21,23)6/h8,15-16,19-23H,7,9-14H2,1-6H3/t19-,20-,21-,22+,23-,25-,26-,27+/m0/s1","ADWFEADZGIHPDE-QGERINELSA-N",null,330]
["D10254",12278,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM5373","CC(=O)Oc1ccc(\\C=N\\NC(=O)COc2ccccc2CC=C)c(OC(C)=O)c1","InChI=1S/C22H22N2O6/c1-4-7-17-8-5-6-9-20(17)28-14-22(27)24-23-13-18-10-11-19(29-15(2)25)12-21(18)30-16(3)26/h4-6,8-13H,1,7,14H2,2-3H3,(H,24,27)/b23-13+","ZEXKFKBEVSHKSG-YDZHTSKRSA-N",null,22393]
["D10255",18556,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50284202","CC(=O)Oc1ccc2n(CCCc3ccccc3)c3nc(=O)oc(O)c3c2c1","InChI=1S/C21H18N2O5/c1-13(24)27-15-9-10-17-16(12-15)18-19(22-21(26)28-20(18)25)23(17)11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,25H,5,8,11H2,1H3","UPFZIGGJLDPFQK-UHFFFAOYSA-N",null,">1000000"]
["D10256",18553,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50284214","CC(=O)Oc1ccc2n(CCc3ccccc3)c3nc(=O)oc(O)c3c2c1","InChI=1S/C20H16N2O5/c1-12(23)26-14-7-8-16-15(11-14)17-18(21-20(25)27-19(17)24)22(16)10-9-13-5-3-2-4-6-13/h2-8,11,24H,9-10H2,1H3","GWAFSBDBGNULGN-UHFFFAOYSA-N",null,833000]
["D10257",4093,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66982","CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(O)=O","InChI=1S/C16H12O6/c1-10(17)21-14-9-5-3-7-12(14)16(20)22-13-8-4-2-6-11(13)15(18)19/h2-9H,1H3,(H,18,19)","DDSFKIFGAPZBSR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10258",674,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395738","CC(=O)SCC(CCCCCN)C(O)=O","InChI=1S/C10H19NO3S/c1-8(12)15-7-9(10(13)14)5-3-2-4-6-11/h9H,2-7,11H2,1H3,(H,13,14)","AFSFNKKPRPMFHO-UHFFFAOYSA-N",null,3800]
["D10259",11760,"7nxa_C",0.5,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDM25465","CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@@]3(C)CC[C@H](O)C[C@]33C=C[C@]21C(C3C(O)=O)C(O)=O","InChI=1S/C25H32O6/c1-13(26)15-4-5-16-22(15,2)8-7-17-23(3)9-6-14(27)12-24(23)10-11-25(16,17)19(21(30)31)18(24)20(28)29/h7,10-11,14-16,18-19,27H,4-6,8-9,12H2,1-3H3,(H,28,29)(H,30,31)/t14-,15+,16+,18?,19?,22+,23+,24-,25-/m0/s1","NEZTUQCJKXTWFV-JIQJOFIQSA-N",null,null,127190,{"$nulls":3},7.5,"30.00 C"]
["D10260",12096,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87259","CC(=O)c1c(C)n(OCC=C)c2ccc3nonc3c12","InChI=1S/C14H13N3O3/c1-4-7-19-17-8(2)12(9(3)18)13-11(17)6-5-10-14(13)16-20-15-10/h4-6H,1,7H2,2-3H3","YJGQXMNSRUEXJF-UHFFFAOYSA-N",null,4123]
["D10261",16426,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209684","CC(=O)c1c[nH]c(c1)-c1cnc(N)c(c1)C(=O)Nc1ccncc1","InChI=1S/C17H15N5O2/c1-10(23)11-7-15(20-8-11)12-6-14(16(18)21-9-12)17(24)22-13-2-4-19-5-3-13/h2-9,20H,1H3,(H2,18,21)(H,19,22,24)","DCRFLNHKMKYMQP-UHFFFAOYSA-N",null,240,{"$nulls":4},7.5,"30.00 C"]
["D10262",4602,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66552","CC(=O)c1cc(C#N)c(SCC(=O)Nc2nccs2)nc1C","InChI=1S/C14H12N4O2S2/c1-8-11(9(2)19)5-10(6-15)13(17-8)22-7-12(20)18-14-16-3-4-21-14/h3-5H,7H2,1-2H3,(H,16,18,20)","QLBISPJNSJUCIM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10263",15473,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478645","CC(=O)c1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C26H25F3N8O2/c1-16(38)20-12-21(32-15-31-20)18-2-3-19-22(11-18)34-25(33-19)35-23-10-17(4-5-30-23)14-36-6-8-37(9-7-36)24(39)13-26(27,28)29/h2-5,10-12,15H,6-9,13-14H2,1H3,(H2,30,33,34,35)","HVWNNGYECNAQIG-UHFFFAOYSA-N",null,29]
["D10264",12235,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM4385","CC(=O)c1cc2c(C)cc(=O)oc2cc1O","InChI=1S/C12H10O4/c1-6-3-12(15)16-11-5-10(14)9(7(2)13)4-8(6)11/h3-5,14H,1-2H3","AYAFDQIOLUUJHW-UHFFFAOYSA-N",null,11237]
["D10265",32254,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM220122","CC(=O)c1ccc(C(O)=O)c(Nc2ccccc2C(O)=O)c1","InChI=1S/C16H13NO5/c1-9(18)10-6-7-12(16(21)22)14(8-10)17-13-5-3-2-4-11(13)15(19)20/h2-8,17H,1H3,(H,19,20)(H,21,22)","VNDSZOSZZSPPFX-UHFFFAOYSA-N",null,28700]
["D10266",3610,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565050","CC(=O)c1ccc(C2CCc3c(C2)cnn(-c2ncccn2)c3=O)c(C)c1","InChI=1S/C21H20N4O2/c1-13-10-15(14(2)26)4-6-18(13)16-5-7-19-17(11-16)12-24-25(20(19)27)21-22-8-3-9-23-21/h3-4,6,8-10,12,16H,5,7,11H2,1-2H3","ILLYOFGGQVSHII-UHFFFAOYSA-N",null,15500]
["D10267",4535,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66491","CC(=O)c1ccc(NC(=O)CON=C(C)c2cccs2)cc1","InChI=1S/C16H16N2O3S/c1-11(15-4-3-9-22-15)18-21-10-16(20)17-14-7-5-13(6-8-14)12(2)19/h3-9H,10H2,1-2H3,(H,17,20)","JCDQPQRLLOXCES-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10268",12281,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM51185","CC(=O)c1ccc(Nc2c3CCCCc3nc3ccccc23)cc1","InChI=1S/C21H20N2O/c1-14(24)15-10-12-16(13-11-15)22-21-17-6-2-4-8-19(17)23-20-9-5-3-7-18(20)21/h2,4,6,8,10-13H,3,5,7,9H2,1H3,(H,22,23)","LISOWNMDDONOPL-UHFFFAOYSA-N",null,24794]
["D10269",32253,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50385686","CC(=O)c1ccc(Nc2cccc(c2)C(O)=O)c(c1)C(O)=O","InChI=1S/C16H13NO5/c1-9(18)10-5-6-14(13(8-10)16(21)22)17-12-4-2-3-11(7-12)15(19)20/h2-8,17H,1H3,(H,19,20)(H,21,22)","FUMRJGBEMSCDNN-UHFFFAOYSA-N",null,28700]
["D10270",32245,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50546235","CC(=O)c1ccc(Nc2cccc(c2)C(O)=O)c2ccccc12","InChI=1S/C19H15NO3/c1-12(21)15-9-10-18(17-8-3-2-7-16(15)17)20-14-6-4-5-13(11-14)19(22)23/h2-11,20H,1H3,(H,22,23)","WTVWFZNHZAQDRY-UHFFFAOYSA-N",null,17700]
["D10271",32251,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM50337282","CC(=O)c1ccc(Nc2cccc(c2)C(O)=O)cc1","InChI=1S/C15H13NO3/c1-10(17)11-5-7-13(8-6-11)16-14-4-2-3-12(9-14)15(18)19/h2-9,16H,1H3,(H,18,19)","WVJCBUXADPESMP-UHFFFAOYSA-N",null,25700]
["D10272",4594,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66544","CC(=O)c1ccc(cc1)N(C(C(=O)NC(C)(C)C)c1cccs1)C(=O)c1csnn1","InChI=1S/C21H22N4O3S2/c1-13(26)14-7-9-15(10-8-14)25(20(28)16-12-30-24-23-16)18(17-6-5-11-29-17)19(27)22-21(2,3)4/h5-12,18H,1-4H3,(H,22,27)","NBQPBCUGWDYWKR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10273",3933,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66848","CC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1c(C)n(C)c(C)c1C(=O)N1CCCC1","InChI=1S/C24H32N4O4S/c1-17-22(24(30)27-11-5-6-12-27)23(18(2)25(17)4)33(31,32)28-15-13-26(14-16-28)21-9-7-20(8-10-21)19(3)29/h7-10H,5-6,11-16H2,1-4H3","YYKDEHNFVSIXEQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10274",31827,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46425","CC(=O)c1ccc(cc1)N=Nc1ccc(C)cc1","InChI=1S/C15H14N2O/c1-11-3-7-14(8-4-11)16-17-15-9-5-13(6-10-15)12(2)18/h3-10H,1-2H3","ZLQQSJMVUAEPBI-UHFFFAOYSA-N",null,17340]
["D10275",4682,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66619","CC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1C(O)=O","InChI=1S/C14H17NO5S/c1-10(16)11-5-7-12(8-6-11)21(19,20)15-9-3-2-4-13(15)14(17)18/h5-8,13H,2-4,9H2,1H3,(H,17,18)","QUWIEIFFNAJQRK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10276",32004,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67111","CC(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(C(=O)Nc1ccc(C)cc1)c1ccccc1","InChI=1S/C27H29N3O4S/c1-20-8-12-24(13-9-20)28-27(32)26(23-6-4-3-5-7-23)29-16-18-30(19-17-29)35(33,34)25-14-10-22(11-15-25)21(2)31/h3-15,26H,16-19H2,1-2H3,(H,28,32)","SYXGYPKLJGJUOI-UHFFFAOYSA-N",null,">55690"]
["D10277",16332,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209693","CC(=O)c1ccc(s1)-c1cnc(N)c(c1)C(=O)Nc1ccncc1","InChI=1S/C17H14N4O2S/c1-10(22)14-2-3-15(24-14)11-8-13(16(18)20-9-11)17(23)21-12-4-6-19-7-5-12/h2-9H,1H3,(H2,18,20)(H,19,21,23)","RWJIWEQYLOKEBO-UHFFFAOYSA-N",null,160,{"$nulls":4},7.5,"30.00 C"]
["D10278",3607,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565071","CC(=O)c1cccc(C2CCc3c(C2)cnn(-c2ncccn2)c3=O)c1C","InChI=1S/C21H20N4O2/c1-13-17(14(2)26)5-3-6-18(13)15-7-8-19-16(11-15)12-24-25(20(19)27)21-22-9-4-10-23-21/h3-6,9-10,12,15H,7-8,11H2,1-2H3","VXTAMTKNDGCUIA-UHFFFAOYSA-N",null,15500]
["D10279",4599,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66549","CC(=O)c1cccc(CN2CCN(CCc3ccccc3)C(CCO)C2)c1","InChI=1S/C23H30N2O2/c1-19(27)22-9-5-8-21(16-22)17-24-13-14-25(23(18-24)11-15-26)12-10-20-6-3-2-4-7-20/h2-9,16,23,26H,10-15,17-18H2,1H3","OWOFGSJMVUWCAJ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10280",12449,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42962","CC(=O)c1cccc(NC(=O)c2cc3ccccn3n2)c1","InChI=1S/C16H13N3O2/c1-11(20)12-5-4-6-13(9-12)17-16(21)15-10-14-7-2-3-8-19(14)18-15/h2-10H,1H3,(H,17,21)","VCJTZWXDMWDKAV-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D10281",32073,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46358","CC(=O)c1cn(CC(=O)Nc2ccccc2C)c2ccccc12","InChI=1S/C19H18N2O2/c1-13-7-3-5-9-17(13)20-19(23)12-21-11-16(14(2)22)15-8-4-6-10-18(15)21/h3-11H,12H2,1-2H3,(H,20,23)","JPMWFRLLJNNHDW-UHFFFAOYSA-N",null,">55700"]
["D10282",31730,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43653","CC(=O)n1cc(Nc2ccc(cc2)[N+]([O-])=O)c2ccccc12","InChI=1S/C16H13N3O3/c1-11(20)18-10-15(14-4-2-3-5-16(14)18)17-12-6-8-13(9-7-12)19(21)22/h2-10,17H,1H3","GYUDGEIHAIOLSU-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D10283",4329,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM40374","CC(=O)n1nc2nc(C)cc(C)c2c1N","InChI=1S/C10H12N4O/c1-5-4-6(2)12-10-8(5)9(11)14(13-10)7(3)15/h4H,11H2,1-3H3","QUCBBNOPVFRPAV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10284",15099,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278364","CC(C#N)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C32H34FN9O3/c1-21(15-34)31(43)42-9-8-29(27(33)17-42)45-28-7-2-22(14-23(28)16-35)30-36-20-37-32(39-30)38-24-3-5-25(6-4-24)40-10-12-41(13-11-40)26-18-44-19-26/h2-7,14,20-21,26-27,29H,8-13,17-19H2,1H3,(H,36,37,38,39)/t21?,27-,29+/m1/s1","LOXWDIRJOQSVBZ-KMGMCLHJSA-N",null,11]
["D10285",3921,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66836","CC(C(=O)NCc1ccccc1Cl)n1nc(C)c2c(C)n(nc2c1=O)-c1ccc(C)cc1","InChI=1S/C24H24ClN5O2/c1-14-9-11-19(12-10-14)29-16(3)21-15(2)27-30(24(32)22(21)28-29)17(4)23(31)26-13-18-7-5-6-8-20(18)25/h5-12,17H,13H2,1-4H3,(H,26,31)","JJJYGHOYKUXTEW-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10286",32401,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50074922","CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1","InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)","SYTBZMRGLBWNTM-UHFFFAOYSA-N",null,">100000"]
["D10287",3880,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66802","CC(C)(C)C#CC(CCc1ccccc1)OS(N)(=O)=O","InChI=1S/C15H21NO3S/c1-15(2,3)12-11-14(19-20(16,17)18)10-9-13-7-5-4-6-8-13/h4-8,14H,9-10H2,1-3H3,(H2,16,17,18)","YTGRYQXSRSAHOD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10288",3798,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66730","CC(C)(C)C(=O)CNS(=O)(=O)c1ccc(cc1)S(=O)(=O)NC1CC1","InChI=1S/C15H22N2O5S2/c1-15(2,3)14(18)10-16-23(19,20)12-6-8-13(9-7-12)24(21,22)17-11-4-5-11/h6-9,11,16-17H,4-5,10H2,1-3H3","BGNAIZHBYCJLGU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10289",12306,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM63532","CC(C)(C)C(=O)Nc1ccc(cc1)\\N=N\\c1ccccc1","InChI=1S/C17H19N3O/c1-17(2,3)16(21)18-13-9-11-15(12-10-13)20-19-14-7-5-4-6-8-14/h4-12H,1-3H3,(H,18,21)/b20-19+","UAERVFGYVTYUNF-FMQUCBEESA-N",null,">35867"]
["D10290",4686,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM50592","CC(C)(C)C1=CC=C(C(=O)C1=O)C(C)(C)C","InChI=1S/C14H20O2/c1-13(2,3)9-7-8-10(14(4,5)6)12(16)11(9)15/h7-8H,1-6H3","YYBNZCMLHZKAKV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10291",659,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197564","CC(C)(C)C1CCC(CC1)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C25H48N4O5S/c1-25(2,3)19-12-14-20(15-13-19)27-23(30)22(17-18-9-5-4-6-10-18)29-35(33,34)28-21(24(31)32)11-7-8-16-26/h18-22,28-29H,4-17,26H2,1-3H3,(H,27,30)(H,31,32)/t19?,20?,21-,22-/m0/s1","WXMPWZLDDZZEQU-UJKMTWAASA-N",null,1700]
["D10292",11828,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42981","CC(C)(C)C1CCc2c(C1)sc(NC(=O)c1cccs1)c2C(N)=O","InChI=1S/C18H22N2O2S2/c1-18(2,3)10-6-7-11-13(9-10)24-17(14(11)15(19)21)20-16(22)12-5-4-8-23-12/h4-5,8,10H,6-7,9H2,1-3H3,(H2,19,21)(H,20,22)","HDGKHDYBUHGEKE-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D10293",4432,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66346","CC(C)(C)C1CCc2onc(C(=O)Nc3cccc(O)c3)c2C1","InChI=1S/C18H22N2O3/c1-18(2,3)11-7-8-15-14(9-11)16(20-23-15)17(22)19-12-5-4-6-13(21)10-12/h4-6,10-11,21H,7-9H2,1-3H3,(H,19,22)","JIVYSSRXEREDAF-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10294",4547,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66502","CC(C)(C)C1C\\C(=C\\c2ccccn2)C(=O)\\C(C1)=C\\c1ccccn1","InChI=1S/C22H24N2O/c1-22(2,3)18-12-16(14-19-8-4-6-10-23-19)21(25)17(13-18)15-20-9-5-7-11-24-20/h4-11,14-15,18H,12-13H2,1-3H3/b16-14-,17-15+","LSJAFGPDIQTRTL-QUDUTFMFSA-N",{"$nulls":3},8462]
["D10295",3967,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66874","CC(C)(C)CC(=O)Nc1nnc(SCC(=O)NC2CCCCC2)s1","InChI=1S/C16H26N4O2S2/c1-16(2,3)9-12(21)18-14-19-20-15(24-14)23-10-13(22)17-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3,(H,17,22)(H,18,19,21)","YGUISVNYHSQCTL-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10296",367,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144342","CC(C)(C)CCn1cnc(c1)C(C[C@H]1CC[C@H](N)C1)C(O)=O","InChI=1S/C17H29N3O2/c1-17(2,3)6-7-20-10-15(19-11-20)14(16(21)22)9-12-4-5-13(18)8-12/h10-14H,4-9,18H2,1-3H3,(H,21,22)/t12-,13-,14?/m0/s1","LDXGTVIJFDTJIE-RFHHWMCGSA-N",null,1]
["D10297",395,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326336","CC(C)(C)CCn1cnc(c1)[C@]1(C[C@@H]1CCCN)C(O)=O","InChI=1S/C16H27N3O2/c1-15(2,3)6-8-19-10-13(18-11-19)16(14(20)21)9-12(16)5-4-7-17/h10-12H,4-9,17H2,1-3H3,(H,20,21)/t12-,16+/m0/s1","OATNNVUVQQXLHN-BLLLJJGKSA-N",null,4.5]
["D10298",610,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326337","CC(C)(C)CCn1cnc(c1)[C@]1(C[C@H]1CCCN)C(O)=O","InChI=1S/C16H27N3O2/c1-15(2,3)6-8-19-10-13(18-11-19)16(14(20)21)9-12(16)5-4-7-17/h10-12H,4-9,17H2,1-3H3,(H,20,21)/t12-,16-/m1/s1","OATNNVUVQQXLHN-MLGOLLRUSA-N",null,420]
["D10299",626,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089697","CC(C)(C)CNC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C21H40N4O4/c1-21(2,3)14-23-18(26)17(13-15-9-5-4-6-10-15)25-20(29)24-16(19(27)28)11-7-8-12-22/h15-17H,4-14,22H2,1-3H3,(H,23,26)(H,27,28)(H2,24,25,29)/t16-,17+/m0/s1","XWDGSLJVTQYSEC-DLBZAZTESA-N",null,690]
["D10300",16807,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478366","CC(C)(C)Cc1nc(no1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)c4ccccc4Cl)ccn3)[nH]c2c1","InChI=1S/C30H33ClN8O/c1-30(2,3)18-27-36-28(37-40-27)21-8-9-23-24(17-21)34-29(33-23)35-26-16-20(10-11-32-26)19-38-12-14-39(15-13-38)25-7-5-4-6-22(25)31/h4-11,16-17H,12-15,18-19H2,1-3H3,(H2,32,33,34,35)","FCXDZQAMRBEPIH-UHFFFAOYSA-N",null,779]
["D10301",4066,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66960","CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)CNC(=O)c1ccco1","InChI=1S/C20H24N2O5/c1-20(2,3)22(13-15-8-5-4-6-9-15)17(23)14-27-18(24)12-21-19(25)16-10-7-11-26-16/h4-11H,12-14H2,1-3H3,(H,21,25)","RZPJXLYSTMZSGK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10302",11815,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42972","CC(C)(C)NC(=O)CSc1nc(O)cc(=O)n1-c1ccccc1F","InChI=1S/C16H18FN3O3S/c1-16(2,3)19-13(22)9-24-15-18-12(21)8-14(23)20(15)11-7-5-4-6-10(11)17/h4-8,21H,9H2,1-3H3,(H,19,22)","DDEFISLCFAPDQG-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D10303",4672,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66612","CC(C)(C)NC(=O)NC(=O)COC(=O)CNS(=O)(=O)\\C=C\\c1ccccc1","InChI=1S/C17H23N3O6S/c1-17(2,3)20-16(23)19-14(21)12-26-15(22)11-18-27(24,25)10-9-13-7-5-4-6-8-13/h4-10,18H,11-12H2,1-3H3,(H2,19,20,21,23)/b10-9+","KEGSWLPPIRNWJQ-MDZDMXLPSA-N",{"$nulls":3},">350000"]
["D10304",687,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197561","CC(C)(C)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C19H38N4O5S/c1-19(2,3)21-17(24)16(13-14-9-5-4-6-10-14)23-29(27,28)22-15(18(25)26)11-7-8-12-20/h14-16,22-23H,4-13,20H2,1-3H3,(H,21,24)(H,25,26)/t15-,16-/m0/s1","LVOZNJMCMRKNQO-HOTGVXAUSA-N",null,6700]
["D10305",25664,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM392076","CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c2ccccc12","InChI=1S/C30H37N3O5S2/c1-30(2,3)33-40(37,38)25-14-13-23(21-11-7-8-12-22(21)25)26-24(15-18-9-5-4-6-10-18)32-28(39-26)27(34)31-20-16-19(17-20)29(35)36/h7-8,11-14,18-20,33H,4-6,9-10,15-17H2,1-3H3,(H,31,34)(H,35,36)/t19-,20-","KYIGOCCCBXRHNJ-MXVIHJGJSA-N",null,0.012]
["D10306",17654,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50401152","CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1","InChI=1S/C15H18N6O2S/c1-15(2,3)20-24(22,23)12-6-11(8-17-9-12)10-4-5-21-13(7-10)18-14(16)19-21/h4-9,20H,1-3H3,(H2,16,19)","IVYWKCAOPCHVMX-UHFFFAOYSA-N",null,"<10000"]
["D10307",4170,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67054","CC(C)(C)OC(=O)C[C@@H](CC=C)C(=O)OC[C@H](Cc1ccccc1)NC(=O)[C@@H](CC=C)CC(=O)N[C@@H](CO)Cc1ccccc1","InChI=1S/C36H48N2O7/c1-6-14-28(22-32(40)37-30(24-39)20-26-16-10-8-11-17-26)34(42)38-31(21-27-18-12-9-13-19-27)25-44-35(43)29(15-7-2)23-33(41)45-36(3,4)5/h6-13,16-19,28-31,39H,1-2,14-15,20-25H2,3-5H3,(H,37,40)(H,38,42)/t28-,29+,30+,31-/m0/s1","QQUMCRNRBXZTAY-KQFVITFDSA-N",{"$nulls":3},">350000"]
["D10308",494,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326375","CC(C)(C)OC(=O)N(CCCC1CC1(C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(cc1)[N+]#[C-])C(=O)OC(C)(C)C","InChI=1S/C31H42N4O6/c1-28(2,3)39-25(36)31(24-19-34(20-33-24)23-15-13-22(32-10)14-16-23)18-21(31)12-11-17-35(26(37)40-29(4,5)6)27(38)41-30(7,8)9/h13-16,19-21H,11-12,17-18H2,1-9H3","FLSIKRXJRXEXHX-UHFFFAOYSA-N",null,29]
["D10309",534,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326377","CC(C)(C)OC(=O)N(CCCC1CC1(C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc2ccccc2n1)C(=O)OC(C)(C)C","InChI=1S/C33H44N4O6/c1-30(2,3)41-27(38)33(25-20-36(21-34-25)26-17-16-22-13-10-11-15-24(22)35-26)19-23(33)14-12-18-37(28(39)42-31(4,5)6)29(40)43-32(7,8)9/h10-11,13,15-17,20-21,23H,12,14,18-19H2,1-9H3","YXBMHZSYHQXKBM-UHFFFAOYSA-N",null,58]
["D10310",495,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326374","CC(C)(C)OC(=O)N(CCCC1CC1(C(=O)OC(C)(C)C)c1cn(cn1)-c1ncccn1)C(=O)OC(C)(C)C","InChI=1S/C28H41N5O6/c1-25(2,3)37-21(34)28(20-17-32(18-31-20)22-29-13-11-14-30-22)16-19(28)12-10-15-33(23(35)38-26(4,5)6)24(36)39-27(7,8)9/h11,13-14,17-19H,10,12,15-16H2,1-9H3","OJVIIJZFNGAOQG-UHFFFAOYSA-N",null,30]
["D10311",15721,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276850","CC(C)(C)OC(=O)N1CC=C(C1)c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C28H30N4O4/c1-28(2,3)36-27(33)32-11-7-19(17-32)24-15-23-22(6-10-30-26(23)31-24)18-4-5-25(20(14-18)16-29)35-21-8-12-34-13-9-21/h4-7,10,14-15,21H,8-9,11-13,17H2,1-3H3,(H,30,31)","LPISIKGCJPHMTC-UHFFFAOYSA-N",null,38.4]
["D10312",15300,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276818","CC(C)(C)OC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C29H32N4O4/c1-29(2,3)37-28(34)33-12-7-19(8-13-33)25-17-24-23(6-11-31-27(24)32-25)20-4-5-26(21(16-20)18-30)36-22-9-14-35-15-10-22/h4-7,11,16-17,22H,8-10,12-15H2,1-3H3,(H,31,32)","LHPPCLUNEXZVTH-UHFFFAOYSA-N",null,17,{"$nulls":4},7]
["D10313",16787,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276835","CC(C)(C)OC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C34H37N5O4/c1-34(2,3)43-33(40)39-14-11-27(12-15-39)42-31-9-6-24(20-25(31)22-35)28-10-13-36-32-29(28)21-30(37-32)23-4-7-26(8-5-23)38-16-18-41-19-17-38/h4-10,13,20-21,27H,11-12,14-19H2,1-3H3,(H,36,37)","HIXMOLNZWSPJDL-UHFFFAOYSA-N",null,696,{"$nulls":4},7]
["D10314",16927,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277053","CC(C)(C)OC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(nc12)-c1ccc(N2CCOCC2)c(F)c1","InChI=1S/C32H34FN7O4/c1-32(2,3)44-31(41)40-10-8-23(9-11-40)43-26-7-5-20(16-22(26)18-34)27-28-30(36-19-35-27)38-29(37-28)21-4-6-25(24(33)17-21)39-12-14-42-15-13-39/h4-7,16-17,19,23H,8-15H2,1-3H3,(H,35,36,37,38)","KUMKJWMPOOYVGT-UHFFFAOYSA-N",null,1000]
["D10315",16915,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276912","CC(C)(C)OC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(nc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C32H35N7O4/c1-32(2,3)43-31(40)39-12-10-25(11-13-39)42-26-9-6-22(18-23(26)19-33)27-28-30(35-20-34-27)37-29(36-28)21-4-7-24(8-5-21)38-14-16-41-17-15-38/h4-9,18,20,25H,10-17H2,1-3H3,(H,34,35,36,37)","NFCLQHATHCQOBH-UHFFFAOYSA-N",null,">1000"]
["D10316",16177,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570882","CC(C)(C)OC(=O)N1CCC(Oc2ccc(cc2C#N)-c2cc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)ncn2)C(F)(F)C1","InChI=1S/C34H39F2N7O4/c1-33(2,3)47-32(44)43-11-10-30(34(35,36)21-43)46-29-9-4-23(16-24(29)18-37)28-17-31(39-22-38-28)40-25-5-7-26(8-6-25)41-12-14-42(15-13-41)27-19-45-20-27/h4-9,16-17,22,27,30H,10-15,19-21H2,1-3H3,(H,38,39,40)","BRLMQPJKTJMXBZ-UHFFFAOYSA-N",null,"<100"]
["D10317",16987,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205213","CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(cn1)C(=O)Nc1sc(nc1C(N)=O)-c1ccncc1","InChI=1S/C24H27N7O4S/c1-24(2,3)35-23(34)31-12-10-30(11-13-31)17-5-4-16(14-27-17)20(33)29-22-18(19(25)32)28-21(36-22)15-6-8-26-9-7-15/h4-9,14H,10-13H2,1-3H3,(H2,25,32)(H,29,33)","OJKZRZBYJORDGP-UHFFFAOYSA-N",null,1200,{"$nulls":4},7.5,"30.00 C"]
["D10318",16355,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478749","CC(C)(C)OC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3c(F)cncc3Cl)c2)CC1","InChI=1S/C27H29ClFN7O2/c1-27(2,3)38-26(37)36-10-8-35(9-11-36)16-17-6-7-31-23(12-17)34-25-32-21-5-4-18(13-22(21)33-25)24-19(28)14-30-15-20(24)29/h4-7,12-15H,8-11,16H2,1-3H3,(H2,31,32,33,34)","IJQJYZMXWXFFGU-UHFFFAOYSA-N",null,180]
["D10319",14565,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478607","CC(C)(C)OC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cc(NC4CC4)ncn3)c2)CC1","InChI=1S/C29H35N9O2/c1-29(2,3)40-28(39)38-12-10-37(11-13-38)17-19-8-9-30-25(14-19)36-27-34-22-7-4-20(15-24(22)35-27)23-16-26(32-18-31-23)33-21-5-6-21/h4,7-9,14-16,18,21H,5-6,10-13,17H2,1-3H3,(H,31,32,33)(H2,30,34,35,36)","PYXQTKSXVXKRMW-UHFFFAOYSA-N",null,3.6]
["D10320",14897,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478778","CC(C)(C)OC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cc(NCC4CC4)ncn3)c2)CC1","InChI=1S/C30H37N9O2/c1-30(2,3)41-29(40)39-12-10-38(11-13-39)18-21-8-9-31-27(14-21)37-28-35-23-7-6-22(15-25(23)36-28)24-16-26(34-19-33-24)32-17-20-4-5-20/h6-9,14-16,19-20H,4-5,10-13,17-18H2,1-3H3,(H,32,33,34)(H2,31,35,36,37)","ZLGCNVIPKCROCH-UHFFFAOYSA-N",null,7.5]
["D10321",15157,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478606","CC(C)(C)OC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cc(NCCO)ncn3)c2)CC1","InChI=1S/C28H35N9O3/c1-28(2,3)40-27(39)37-11-9-36(10-12-37)17-19-6-7-29-25(14-19)35-26-33-21-5-4-20(15-23(21)34-26)22-16-24(30-8-13-38)32-18-31-22/h4-7,14-16,18,38H,8-13,17H2,1-3H3,(H,30,31,32)(H2,29,33,34,35)","BZCVIIOPDAMRKP-UHFFFAOYSA-N",null,13]
["D10322",16334,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478821","CC(C)(C)OC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cc(OCC4(CC4)C(F)(F)F)ncn3)c2)CC1","InChI=1S/C31H35F3N8O3/c1-29(2,3)45-28(43)42-12-10-41(11-13-42)17-20-6-9-35-25(14-20)40-27-38-22-5-4-21(15-24(22)39-27)23-16-26(37-19-36-23)44-18-30(7-8-30)31(32,33)34/h4-6,9,14-16,19H,7-8,10-13,17-18H2,1-3H3,(H2,35,38,39,40)","WHARPEMGRGFEQA-UHFFFAOYSA-N",null,160]
["D10323",15665,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478603","CC(C)(C)OC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cc(OCC4CC4)ncn3)c2)CC1","InChI=1S/C30H36N8O3/c1-30(2,3)41-29(39)38-12-10-37(11-13-38)17-21-8-9-31-26(14-21)36-28-34-23-7-6-22(15-25(23)35-28)24-16-27(33-19-32-24)40-18-20-4-5-20/h6-9,14-16,19-20H,4-5,10-13,17-18H2,1-3H3,(H2,31,34,35,36)","JYDIWBACUPTPPR-UHFFFAOYSA-N",null,33]
["D10324",16515,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478824","CC(C)(C)OC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cc(OCC4CCC4)ncn3)c2)CC1","InChI=1S/C31H38N8O3/c1-31(2,3)42-30(40)39-13-11-38(12-14-39)18-22-9-10-32-27(15-22)37-29-35-24-8-7-23(16-26(24)36-29)25-17-28(34-20-33-25)41-19-21-5-4-6-21/h7-10,15-17,20-21H,4-6,11-14,18-19H2,1-3H3,(H2,32,35,36,37)","CMGHVAQHIMFZMB-UHFFFAOYSA-N",null,310]
["D10325",15785,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478641","CC(C)(C)OC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cc(ncn3)C(C)(C)O)c2)CC1","InChI=1S/C29H36N8O3/c1-28(2,3)40-27(38)37-12-10-36(11-13-37)17-19-8-9-30-25(14-19)35-26-33-21-7-6-20(15-23(21)34-26)22-16-24(29(4,5)39)32-18-31-22/h6-9,14-16,18,39H,10-13,17H2,1-5H3,(H2,30,33,34,35)","SANSYOWBBGDIHB-UHFFFAOYSA-N",null,46]
["D10326",15764,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478928","CC(C)(C)OC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cc(ncn3)C3=CCOCC3)c2)CC1","InChI=1S/C31H36N8O3/c1-31(2,3)42-30(40)39-12-10-38(11-13-39)19-21-6-9-32-28(16-21)37-29-35-24-5-4-23(17-27(24)36-29)26-18-25(33-20-34-26)22-7-14-41-15-8-22/h4-7,9,16-18,20H,8,10-15,19H2,1-3H3,(H2,32,35,36,37)","FBRLDJLWSKLIQZ-UHFFFAOYSA-N",null,43.8]
["D10327",15167,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478787","CC(C)(C)OC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cc(ncn3)N3CCCCC3)c2)CC1","InChI=1S/C31H39N9O2/c1-31(2,3)42-30(41)40-15-13-38(14-16-40)20-22-9-10-32-27(17-22)37-29-35-24-8-7-23(18-26(24)36-29)25-19-28(34-21-33-25)39-11-5-4-6-12-39/h7-10,17-19,21H,4-6,11-16,20H2,1-3H3,(H2,32,35,36,37)","WRRASDLMBBIVHV-UHFFFAOYSA-N",null,13]
["D10328",15159,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478763","CC(C)(C)OC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ccnc(F)c3)c2)CC1","InChI=1S/C27H30FN7O2/c1-27(2,3)37-26(36)35-12-10-34(11-13-35)17-18-6-8-30-24(14-18)33-25-31-21-5-4-19(15-22(21)32-25)20-7-9-29-23(28)16-20/h4-9,14-16H,10-13,17H2,1-3H3,(H2,30,31,32,33)","YHZYBNARUQGGJJ-UHFFFAOYSA-N",null,13]
["D10329",14776,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478766","CC(C)(C)OC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ccnc(N)c3)c2)CC1","InChI=1S/C27H32N8O2/c1-27(2,3)37-26(36)35-12-10-34(11-13-35)17-18-6-8-30-24(14-18)33-25-31-21-5-4-19(15-22(21)32-25)20-7-9-29-23(28)16-20/h4-9,14-16H,10-13,17H2,1-3H3,(H2,28,29)(H2,30,31,32,33)","WZZNZHWQKAXJSH-UHFFFAOYSA-N",null,5.8]
["D10330",15852,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478557","CC(C)(C)OC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ccnc(OCC4CC4)n3)c2)CC1","InChI=1S/C30H36N8O3/c1-30(2,3)41-29(39)38-14-12-37(13-15-38)18-21-8-10-31-26(16-21)36-27-33-24-7-6-22(17-25(24)34-27)23-9-11-32-28(35-23)40-19-20-4-5-20/h6-11,16-17,20H,4-5,12-15,18-19H2,1-3H3,(H2,31,33,34,36)","AAHVZQAGKZULIW-UHFFFAOYSA-N",null,57.3]
["D10331",15838,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478769","CC(C)(C)OC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ccnc(c3)C(F)F)c2)CC1","InChI=1S/C28H31F2N7O2/c1-28(2,3)39-27(38)37-12-10-36(11-13-37)17-18-6-8-32-24(14-18)35-26-33-21-5-4-19(15-22(21)34-26)20-7-9-31-23(16-20)25(29)30/h4-9,14-16,25H,10-13,17H2,1-3H3,(H2,32,33,34,35)","VSEKVBNAAYTRJE-UHFFFAOYSA-N",null,55]
["D10332",15850,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478754","CC(C)(C)OC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ccnc(c3)N3CCOCC3)c2)CC1","InChI=1S/C31H38N8O3/c1-31(2,3)42-30(40)39-12-10-37(11-13-39)21-22-6-8-32-27(18-22)36-29-34-25-5-4-23(19-26(25)35-29)24-7-9-33-28(20-24)38-14-16-41-17-15-38/h4-9,18-20H,10-17,21H2,1-3H3,(H2,32,34,35,36)","TYBANEQCDYHHKL-UHFFFAOYSA-N",null,57]
["D10333",16414,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478888","CC(C)(C)OC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ccnc(n3)N3CCCC3)c2)CC1","InChI=1S/C30H37N9O2/c1-30(2,3)41-29(40)39-16-14-37(15-17-39)20-21-8-10-31-26(18-21)36-27-33-24-7-6-22(19-25(24)34-27)23-9-11-32-28(35-23)38-12-4-5-13-38/h6-11,18-19H,4-5,12-17,20H2,1-3H3,(H2,31,33,34,36)","WOBXVBRAHOBKQS-UHFFFAOYSA-N",null,227]
["D10334",16476,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478752","CC(C)(C)OC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ccncc3C#N)c2)CC1","InChI=1S/C28H30N8O2/c1-28(2,3)38-27(37)36-12-10-35(11-13-36)18-19-6-9-31-25(14-19)34-26-32-23-5-4-20(15-24(23)33-26)22-7-8-30-17-21(22)16-29/h4-9,14-15,17H,10-13,18H2,1-3H3,(H2,31,32,33,34)","BAHUDUFDIDRENA-UHFFFAOYSA-N",null,280]
["D10335",15158,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478772","CC(C)(C)OC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cnc(Br)cn3)c2)CC1","InChI=1S/C26H29BrN8O2/c1-26(2,3)37-25(36)35-10-8-34(9-11-35)16-17-6-7-28-23(12-17)33-24-31-19-5-4-18(13-20(19)32-24)21-14-30-22(27)15-29-21/h4-7,12-15H,8-11,16H2,1-3H3,(H2,28,31,32,33)","SADQLECUKREING-UHFFFAOYSA-N",null,13]
["D10336",15999,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478353","CC(C)(C)OC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3nc(no3)C3CC3)c2)CC1","InChI=1S/C27H32N8O3/c1-27(2,3)37-26(36)35-12-10-34(11-13-35)16-17-8-9-28-22(14-17)31-25-29-20-7-6-19(15-21(20)30-25)24-32-23(33-38-24)18-4-5-18/h6-9,14-15,18H,4-5,10-13,16H2,1-3H3,(H2,28,29,30,31)","KXNXVQMPQSEVIX-UHFFFAOYSA-N",null,97.8]
["D10337",16745,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478895","CC(C)(C)OC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ncccn3)c2)CC1","InChI=1S/C26H30N8O2/c1-26(2,3)36-25(35)34-13-11-33(12-14-34)17-18-7-10-27-22(15-18)32-24-30-20-6-5-19(16-21(20)31-24)23-28-8-4-9-29-23/h4-10,15-16H,11-14,17H2,1-3H3,(H2,27,30,31,32)","ZMTSGRDJJYANMH-UHFFFAOYSA-N",null,576]
["D10338",16226,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478922","CC(C)(C)OC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ncnc(NCC4CC4)c3F)c2)CC1","InChI=1S/C30H36FN9O2/c1-30(2,3)42-29(41)40-12-10-39(11-13-40)17-20-8-9-32-24(14-20)38-28-36-22-7-6-21(15-23(22)37-28)26-25(31)27(35-18-34-26)33-16-19-4-5-19/h6-9,14-15,18-19H,4-5,10-13,16-17H2,1-3H3,(H,33,34,35)(H2,32,36,37,38)","MMIFVQRIBNATMA-UHFFFAOYSA-N",null,105]
["D10339",16469,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478901","CC(C)(C)OC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ncnc4COCc34)c2)CC1","InChI=1S/C28H32N8O3/c1-28(2,3)39-27(37)36-10-8-35(9-11-36)14-18-6-7-29-24(12-18)34-26-32-21-5-4-19(13-22(21)33-26)25-20-15-38-16-23(20)30-17-31-25/h4-7,12-13,17H,8-11,14-16H2,1-3H3,(H2,29,32,33,34)","BKFVWKLRAAWMIB-UHFFFAOYSA-N",null,275]
["D10340",16246,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276839","CC(C)(C)OC(=O)N1CC[C@@H](C1)Oc1ccc(cc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C33H35N5O4/c1-33(2,3)42-32(39)38-13-11-26(21-38)41-30-9-6-23(18-24(30)20-34)27-10-12-35-31-28(27)19-29(36-31)22-4-7-25(8-5-22)37-14-16-40-17-15-37/h4-10,12,18-19,26H,11,13-17,21H2,1-3H3,(H,35,36)/t26-/m0/s1","PGWZKQWUSCEIIM-SANMLTNESA-N",null,115]
["D10341",16301,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276831","CC(C)(C)OC(=O)N1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C33H35N5O4/c1-33(2,3)42-32(39)38-13-11-26(21-38)41-30-9-6-23(18-24(30)20-34)27-10-12-35-31-28(27)19-29(36-31)22-4-7-25(8-5-22)37-14-16-40-17-15-37/h4-10,12,18-19,26H,11,13-17,21H2,1-3H3,(H,35,36)/t26-/m1/s1","PGWZKQWUSCEIIM-AREMUKBSSA-N",null,146]
["D10342",16918,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276925","CC(C)(C)OC(=O)N1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ccnc2[nH]c(nc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C32H34N6O4/c1-32(2,3)42-31(39)38-13-11-25(20-38)41-27-9-6-22(18-23(27)19-33)26-10-12-34-30-28(26)35-29(36-30)21-4-7-24(8-5-21)37-14-16-40-17-15-37/h4-10,12,18,25H,11,13-17,20H2,1-3H3,(H,34,35,36)/t25-/m1/s1","VWKNXOVPMCQFPJ-RUZDIDTESA-N",null,">1000"]
["D10343",16916,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276915","CC(C)(C)OC(=O)N1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(nc12)-c1ccc(cc1)N1CCOCC1",{"$nulls":3},">1000"]
["D10344",12239,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM4847","CC(C)(C)OC(=O)NCC(=O)Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl","InChI=1S/C22H20ClNO6/c1-22(2,3)30-21(27)24-12-20(26)29-18-11-17-15(9-16(18)23)14(10-19(25)28-17)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,24,27)","BWJQJMRLXWKBMU-UHFFFAOYSA-N",null,11486]
["D10345",460,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326381","CC(C)(C)OC(=O)NCCCC1CC1(C#N)c1cn(cn1)-c1cc2ccccc2cn1","InChI=1S/C24H27N5O2/c1-23(2,3)31-22(30)26-10-6-9-19-12-24(19,15-25)20-14-29(16-28-20)21-11-17-7-4-5-8-18(17)13-27-21/h4-5,7-8,11,13-14,16,19H,6,9-10,12H2,1-3H3,(H,26,30)","XMTPTCDXVJZEJE-UHFFFAOYSA-N",null,16]
["D10346",13666,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19266583","CC(C)(C)OC(=O)NCCCC1CC1(C#N)c1cn(cn1)-c1cc2ccccc2cn2","InChI=1S/C24H27N5O2/c1-23(2,3)31-22(30)26-10-6-9-19-12-24(19,15-25)20-14-29(16-28-20)21-11-17-7-4-5-8-18(17)13-27-21/h4-5,7-8,11,13-14,16,19H,6,9-10,12H2,1-3H3,(H,26,30)","XMTPTCDXVJZEJE-UHFFFAOYSA-N",-12157.5275790048,55.2007213079107,33648.3458539574,{"$nulls":3},6.73729124303227]
["D10347",538,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326380","CC(C)(C)OC(=O)NCCCC1CC1(C#N)c1cn(cn1)-c1ccc(Cl)cn1","InChI=1S/C20H24ClN5O2/c1-19(2,3)28-18(27)23-8-4-5-14-9-20(14,12-22)16-11-26(13-25-16)17-7-6-15(21)10-24-17/h6-7,10-11,13-14H,4-5,8-9H2,1-3H3,(H,23,27)","IUDMMFRBQQBMGJ-UHFFFAOYSA-N",null,63]
["D10348",13744,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19281796","CC(C)(C)OC(=O)NCCCC1CC1(C#N)c1cn(cn1)-c1ccc(Cl)cn2","InChI=1S/C20H24ClN5O2/c1-19(2,3)28-18(27)23-8-4-5-14-9-20(14,12-22)16-11-26(13-25-16)17-7-6-15(21)10-24-17/h6-7,10-11,13-14H,4-5,8-9H2,1-3H3,(H,23,27)","IUDMMFRBQQBMGJ-UHFFFAOYSA-N",-20126.0375020632,121.922350922351,33697.8360112053,{"$nulls":3},6.73732567003598]
["D10349",4243,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66247","CC(C)(C)OC(=O)NCCc1nnc(o1)S(=O)(=O)Cc1ccc(Cl)cc1Cl","InChI=1S/C16H19Cl2N3O5S/c1-16(2,3)26-14(22)19-7-6-13-20-21-15(25-13)27(23,24)9-10-4-5-11(17)8-12(10)18/h4-5,8H,6-7,9H2,1-3H3,(H,19,22)","KTPSEIKHZBDCBJ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10350",31284,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Prolyl 3-hydroxylase OGFOD1","Homo sapiens","BDBM118338","CC(C)(C)OC(=O)c1ccc(nc1)-n1[nH]cc(-n2ccnn2)c1=O","InChI=1S/C15H16N6O3/c1-15(2,3)24-14(23)10-4-5-12(16-8-10)21-13(22)11(9-18-21)20-7-6-17-19-20/h4-9,18H,1-3H3","HWQQDVNGHZIALS-UHFFFAOYSA-N",null,5100]
["D10351",4135,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67021","CC(C)(C)OC(=O)n1cc(CCO)c2ccccc12","InChI=1S/C15H19NO3/c1-15(2,3)19-14(18)16-10-11(8-9-17)12-6-4-5-7-13(12)16/h4-7,10,17H,8-9H2,1-3H3","VTFPZEDGWAEVDL-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10352",16911,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276858","CC(C)(C)OC(=O)n1ccc2cc(ccc12)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C32H30N4O4/c1-32(2,3)40-31(37)36-13-9-22-17-21(4-6-28(22)36)27-18-26-25(8-12-34-30(26)35-27)20-5-7-29(23(16-20)19-33)39-24-10-14-38-15-11-24/h4-9,12-13,16-18,24H,10-11,14-15H2,1-3H3,(H,34,35)","GKQHSOCBDYDQCX-UHFFFAOYSA-N",null,">1000"]
["D10353",16926,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277033","CC(C)(C)Oc1cc(ccn1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C28H28N4O3/c1-28(2,3)35-26-15-19(6-10-30-26)24-16-23-22(7-11-31-27(23)32-24)18-4-5-25(20(14-18)17-29)34-21-8-12-33-13-9-21/h4-7,10-11,14-16,21H,8-9,12-13H2,1-3H3,(H,31,32)","DSXDCHYXQFEFIC-UHFFFAOYSA-N",null,1000]
["D10354",4209,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67092","CC(C)(C)[C@H](N)C(=O)N[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C","InChI=1S/C25H42N2O2/c1-23(2,3)21(26)22(29)27-20-9-8-18-17-7-6-15-14-16(28)10-12-24(15,4)19(17)11-13-25(18,20)5/h6,16-21,28H,7-14,26H2,1-5H3,(H,27,29)/t16-,17?,18?,19?,20-,21+,24-,25-/m0/s1","DKQUQODYLFKBLG-HNNQZBGKSA-N",{"$nulls":3},">350000"]
["D10355",466,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173903","CC(C)(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C26H42N4O6/c1-26(2,3)22-17-35-14-6-7-15-36-19-11-9-18(10-12-19)16-21(23(31)30-22)29-25(34)28-20(24(32)33)8-4-5-13-27/h9-12,20-22H,4-8,13-17,27H2,1-3H3,(H,30,31)(H,32,33)(H2,28,29,34)/t20-,21+,22+/m0/s1","YWHUEJHOMUURMA-BHDDXSALSA-N",null,19,{"$nulls":4},7.4,"25.00 C"]
["D10356",13672,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19267753","CC(C)(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc3","InChI=1S/C26H42N4O6/c1-26(2,3)22-17-35-14-6-7-15-36-19-11-9-18(10-12-19)16-21(23(31)30-22)29-25(34)28-20(24(32)33)8-4-5-13-27/h9-12,20-22H,4-8,13-17,27H2,1-3H3,(H,30,31)(H,32,33)(H2,28,29,34)/t20-,21+,22+/m0/s2","YWHUEJHOMUURMA-BHDDXSALSA-N",-12770.4898807786,56.8868942844717,33652.1527891303,{"$nulls":3},6.73729389126333,"25.00 C"]
["D10357",17619,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357881","CC(C)(C)\\C=C\\c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O","InChI=1S/C19H18N2O4/c1-19(2,3)7-6-10-4-5-14-11(8-10)15(22)12-9-13(18(23)24)16(20)21-17(12)25-14/h4-9H,1-3H3,(H2,20,21)(H,23,24)/b7-6+","HVYBKXLHGIFSTB-VOTSOKGWSA-N",null,8820]
["D10358",12285,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM58977","CC(C)(C)c1cc(C(=O)NN=Cc2ccc(O)cc2)n(n1)-c1ccccc1","InChI=1S/C21H22N4O2/c1-21(2,3)19-13-18(25(24-19)16-7-5-4-6-8-16)20(27)23-22-14-15-9-11-17(26)12-10-15/h4-14,26H,1-3H3,(H,23,27)","QBLFCHYNSXJTIQ-UHFFFAOYSA-N",null,27105]
["D10359",25887,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM50300690","CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1","InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)","CVWXJKQAOSCOAB-UHFFFAOYSA-N",null,null,">10000"]
["D10360",31419,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","PITSLRE serine/threonine-protein kinase CDC2L1","Homo sapiens","BDBM50250180","CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-n2nc(-c3ccc(OCCN4CCOCC4)cc3)c3c(N)ncnc23)no1","InChI=1S/C31H35N9O4/c1-31(2,3)24-18-25(38-44-24)36-30(41)35-21-6-8-22(9-7-21)40-29-26(28(32)33-19-34-29)27(37-40)20-4-10-23(11-5-20)43-17-14-39-12-15-42-16-13-39/h4-11,18-19H,12-17H2,1-3H3,(H2,32,33,34)(H2,35,36,38,41)","SKDBXDGKLQALIZ-UHFFFAOYSA-N",null,36]
["D10361",15375,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144187","CC(C)(C)c1cc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)n[nH]1","InChI=1S/C24H27N5O2/c1-24(2,3)21-14-23(29-28-21)27-22-13-17(6-9-26-22)16-4-5-20(18(12-16)15-25)31-19-7-10-30-11-8-19/h4-6,9,12-14,19H,7-8,10-11H2,1-3H3,(H2,26,27,28,29)","NOCFKKXWSSCWRO-UHFFFAOYSA-N",null,21,{"$nulls":4},7.5,"30.00 C"]
["D10362",16835,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144207","CC(C)(C)c1cc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)on1","InChI=1S/C24H26N4O3/c1-24(2,3)21-14-23(31-28-21)27-22-13-17(6-9-26-22)16-4-5-20(18(12-16)15-25)30-19-7-10-29-11-8-19/h4-6,9,12-14,19H,7-8,10-11H2,1-3H3,(H,26,27)","IVAFRTWUCSWUMI-UHFFFAOYSA-N",null,860,{"$nulls":4},7.5,"30.00 C"]
["D10363",25784,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Sarcoplasmic/endoplasmic reticulum calcium ATPase 2","Rattus norvegicus","BDBM176764","CC(C)(C)c1cc(O)c(cc1O)C(C)(C)C","InChI=1S/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3","JZODKRWQWUWGCD-UHFFFAOYSA-N",null,2000]
["D10364",12428,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM34419","CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=S)N1CCN(CCO)CC1","InChI=1S/C21H34N2O2S/c1-20(2,3)16-13-15(14-17(18(16)25)21(4,5)6)19(26)23-9-7-22(8-10-23)11-12-24/h13-14,24-25H,7-12H2,1-6H3","HRRJEDMATDGNGB-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D10365",25663,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel protein 1","Rattus norvegicus","BDBM50133817","CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1","InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)","ROGUAPYLUCHQGK-UHFFFAOYSA-N",">10000"]
["D10366",32370,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50337286","CC(C)(C)c1ccc(Nc2cccc(c2)C(O)=O)cc1","InChI=1S/C17H19NO2/c1-17(2,3)13-7-9-14(10-8-13)18-15-6-4-5-12(11-15)16(19)20/h4-11,18H,1-3H3,(H,19,20)","KMYHPILDAZPTQP-UHFFFAOYSA-N",null,39100]
["D10367",12031,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43162","CC(C)(C)c1ccc(OCc2ccc(o2)C(=O)N2CCOCC2)cc1","InChI=1S/C20H25NO4/c1-20(2,3)15-4-6-16(7-5-15)24-14-17-8-9-18(25-17)19(22)21-10-12-23-13-11-21/h4-9H,10-14H2,1-3H3","REXHSFNLVZFXQC-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D10368",12257,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87327","CC(C)(C)c1ccc(Oc2ccc(N)cn2)cc1","InChI=1S/C15H18N2O/c1-15(2,3)11-4-7-13(8-5-11)18-14-9-6-12(16)10-17-14/h4-10H,16H2,1-3H3","WHIWGRCYMQLLAO-UHFFFAOYSA-N",null,14644]
["D10369",12427,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM34415","CC(C)(C)c1ccc(cc1)-c1nnc2sc(nn12)-c1ccncc1","InChI=1S/C18H17N5S/c1-18(2,3)14-6-4-12(5-7-14)15-20-21-17-23(15)22-16(24-17)13-8-10-19-11-9-13/h4-11H,1-3H3","JASYWCQGDVUHJZ-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D10370",11776,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87341","CC(C)(C)c1ccc(cc1)-c1noc(CCC(=O)Nc2cccnc2)n1","InChI=1S/C20H22N4O2/c1-20(2,3)15-8-6-14(7-9-15)19-23-18(26-24-19)11-10-17(25)22-16-5-4-12-21-13-16/h4-9,12-13H,10-11H2,1-3H3,(H,22,25)","VAODZZBDMCCPGO-UHFFFAOYSA-N",null,">1329"]
["D10371",325,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305347","CC(C)(C)c1ccc(cc1)-n1cnc(C[C@H](OCCN)C(O)=O)c1","InChI=1S/C18H25N3O3/c1-18(2,3)13-4-6-15(7-5-13)21-11-14(20-12-21)10-16(17(22)23)24-9-8-19/h4-7,11-12,16H,8-10,19H2,1-3H3,(H,22,23)/t16-/m0/s1","JVLMBIHTJZKJHM-INIZCTEOSA-N",5.7]
["D10372",13531,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19240253","CC(C)(C)c1ccc(cc1)-n1cnc(C[C@H](OCCN)C(O)=O)c2","InChI=1S/C18H25N3O3/c1-18(2,3)13-4-6-15(7-5-13)21-11-14(20-12-21)10-16(17(22)23)24-9-8-19/h4-7,11-12,16H,8-10,19H2,1-3H3,(H,22,23)/t16-/m0/s2","JVLMBIHTJZKJHM-INIZCTEOSA-N",-10537.2133781521,-70442.0606778429,33562.6898125668,{"$nulls":3},6.73723165783354]
["D10373",4751,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66675","CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc(O)c2c1oc(cc2=O)-c1cccc(Cl)c1","InChI=1S/C26H22ClNO4/c1-26(2,3)17-9-7-15(8-10-17)25(31)28-19-11-12-20(29)23-21(30)14-22(32-24(19)23)16-5-4-6-18(27)13-16/h4-14,29H,1-3H3,(H,28,31)","CPQKMQKBMFHBRX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10374",3994,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM64390","CC(C)(C)c1ccc2OCC(Oc2c1)C(=O)NN=Cc1ccc[nH]1","InChI=1S/C18H21N3O3/c1-18(2,3)12-6-7-14-15(9-12)24-16(11-23-14)17(22)21-20-10-13-5-4-8-19-13/h4-10,16,19H,11H2,1-3H3,(H,21,22)/b20-10+","CISVJPXUQJEUAP-KEBDBYFISA-N",{"$nulls":3},">350000"]
["D10375",4122,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67008","CC(C)(C)c1ccccc1OC(=O)C(=C)c1ccccc1","InChI=1S/C19H20O2/c1-14(15-10-6-5-7-11-15)18(20)21-17-13-9-8-12-16(17)19(2,3)4/h5-13H,1H2,2-4H3","FRAMXRUXDPNDAP-UHFFFAOYSA-N",{"$nulls":3},15900]
["D10376",25903,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM5931","CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1","InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)","OUSFTKFNBAZUKL-UHFFFAOYSA-N",null,null,">10000"]
["D10377",12413,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42936","CC(C)(C)c1nnc(NC(=O)CN2C(=O)C3C4CC(C=C4)C3C2=O)s1","InChI=1S/C17H20N4O3S/c1-17(2,3)15-19-20-16(25-15)18-10(22)7-21-13(23)11-8-4-5-9(6-8)12(11)14(21)24/h4-5,8-9,11-12H,6-7H2,1-3H3,(H,18,20,22)","VNCOYFCXBWIVTA-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D10378",15106,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278237","CC(C)(C)n1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CC#N)c(c2)C#N)cn1","InChI=1S/C25H26FN9O2/c1-25(2,3)35-13-18(12-31-35)32-24-30-15-29-23(33-24)16-4-5-20(17(10-16)11-28)37-21-7-9-34(14-19(21)26)22(36)6-8-27/h4-5,10,12-13,15,19,21H,6-7,9,14H2,1-3H3,(H,29,30,32,33)/t19-,21+/m1/s1","WTDOVWBIRCFQNH-CTNGQTDRSA-N",null,11]
["D10379",15409,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278236","CC(C)(C)n1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CCO)c(c2)C#N)cn1","InChI=1S/C25H29FN8O3/c1-25(2,3)34-13-18(12-30-34)31-24-29-15-28-23(32-24)16-4-5-20(17(10-16)11-27)37-21-6-8-33(14-19(21)26)22(36)7-9-35/h4-5,10,12-13,15,19,21,35H,6-9,14H2,1-3H3,(H,28,29,31,32)/t19-,21+/m1/s1","VRYICCMNURPSDI-CTNGQTDRSA-N",null,23]
["D10380",17166,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278198","CC(C)(C)n1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)cn1","InChI=1S/C24H27FN8O3/c1-24(2,3)33-11-17(10-29-33)30-23-28-14-27-22(31-23)15-4-5-19(16(8-15)9-26)36-20-6-7-32(12-18(20)25)21(35)13-34/h4-5,8,10-11,14,18,20,34H,6-7,12-13H2,1-3H3,(H,27,28,30,31)/t18-,20+/m1/s1","VILUZAYZRGMLRF-QUCCMNQESA-N",null,2]
["D10381",16665,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278197","CC(C)(C)n1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@@H](O)CO)c(c2)C#N)cn1","InChI=1S/C25H29FN8O4/c1-25(2,3)34-11-17(10-30-34)31-24-29-14-28-22(32-24)15-4-5-20(16(8-15)9-27)38-21-6-7-33(12-18(21)26)23(37)19(36)13-35/h4-5,8,10-11,14,18-19,21,35-36H,6-7,12-13H2,1-3H3,(H,28,29,31,32)/t18-,19+,21+/m1/s1","AEPJRUANSIXNRU-DYXWJJEUSA-N",null,2]
["D10382",15044,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276867","CC(C)(C)n1cc(cn1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C26H27N5O2/c1-26(2,3)31-16-19(15-29-31)23-13-22-21(6-9-28-25(22)30-23)17-4-5-24(18(12-17)14-27)33-20-7-10-32-11-8-20/h4-6,9,12-13,15-16,20H,7-8,10-11H2,1-3H3,(H,28,30)","AXFMFRVMFJMHRE-UHFFFAOYSA-N",null,9.4]
["D10383",12323,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM62667","CC(C)(C)n1ncc2c1ncn(CC(=O)OCc1ccccc1)c2=O","InChI=1S/C18H20N4O3/c1-18(2,3)22-16-14(9-20-22)17(24)21(12-19-16)10-15(23)25-11-13-7-5-4-6-8-13/h4-9,12H,10-11H2,1-3H3","ZQHKKDHDLOTJJZ-UHFFFAOYSA-N",null,">35872"]
["D10384",598,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326387","CC(C)(CN)CC1CC1(C(O)=O)c1cn(cn1)-c1ccccc1","InChI=1S/C18H23N3O2/c1-17(2,11-19)8-13-9-18(13,16(22)23)15-10-21(12-20-15)14-6-4-3-5-7-14/h3-7,10,12-13H,8-9,11,19H2,1-2H3,(H,22,23)","WWNSWPHSWQCJIZ-UHFFFAOYSA-N",null,">300"]
["D10385",13804,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19293498","CC(C)(CN)CC1CC1(C(O)=O)c1cn(cn1)-c1ccccc2","InChI=1S/C18H23N3O2/c1-17(2,11-19)8-13-9-18(13,16(22)23)15-10-21(12-20-15)14-6-4-3-5-7-14/h3-7,10,12-13H,8-9,11,19H2,1-2H3,(H,22,23)","WWNSWPHSWQCJIZ-UHFFFAOYSA-N",-26255.6605198004,">300",33735.9053629345,{"$nulls":3},6.73735215234653]
["D10386",604,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144320","CC(C)(CN)CCC(C(O)=O)c1cnc[nH]1","InChI=1S/C11H19N3O2/c1-11(2,6-12)4-3-8(10(15)16)9-5-13-7-14-9/h5,7-8H,3-4,6,12H2,1-2H3,(H,13,14)(H,15,16)","HNCZMIXMYAMRQL-UHFFFAOYSA-N",null,380]
["D10387",13810,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19294668","CC(C)(CN)CCC(C(O)=O)c1cnc[nH]2","InChI=1S/C11H19N3O2/c1-11(2,6-12)4-3-8(10(15)16)9-5-13-7-14-9/h5,7-8H,3-4,6,12H2,1-2H3,(H,13,14)(H,15,16)","HNCZMIXMYAMRQL-UHFFFAOYSA-N",-26868.6228215741,2209.92226209108,33739.7122981074,{"$nulls":3},6.73735480057758]
["D10388",17818,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569833","CC(C)(CO)C1CN=C(Nc2cc(F)c(Oc3ccnc4[nH]cc(c34)C(F)(F)F)c(F)c2)O1",{"$nulls":3},">20000"]
["D10389",16438,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153737","CC(C)(CO)CNC(=O)c1ccc2NC(=O)\\C(=N/Nc3ccc(cc3)S(N)(=O)=O)c2c1","InChI=1S/C20H23N5O5S/c1-20(2,11-26)10-22-18(27)12-3-8-16-15(9-12)17(19(28)23-16)25-24-13-4-6-14(7-5-13)31(21,29)30/h3-9,24,26H,10-11H2,1-2H3,(H,22,27)(H2,21,29,30)(H,23,25,28)","ZOVGOJSKGVLAJH-UHFFFAOYSA-N",null,251]
["D10390",16052,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245965","CC(C)(N)C(=O)Nc1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1","InChI=1S/C23H24FN9O/c1-23(2,26)21(34)32-19-4-3-17(12-28-19)30-22-27-7-5-18(31-22)15-9-14(10-25)20(29-11-15)33-8-6-16(24)13-33/h3-5,7,9,11-12,16H,6,8,13,26H2,1-2H3,(H,27,30,31)(H,28,32,34)/t16-/m0/s1","CNTJAHGPHYJIHK-INIZCTEOSA-N",null,"<100",{"$nulls":4},7.5]
["D10391",16033,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246011","CC(C)(N)c1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1","InChI=1S/C22H23FN8/c1-22(2,25)19-4-3-17(12-27-19)29-21-26-7-5-18(30-21)15-9-14(10-24)20(28-11-15)31-8-6-16(23)13-31/h3-5,7,9,11-12,16H,6,8,13,25H2,1-2H3,(H,26,29,30)/t16-/m0/s1","RYEPSIJIYOGJHE-INIZCTEOSA-N",null,"<100",{"$nulls":4},7.5]
["D10392",684,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089747","CC(C)(NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC1CC2(C)CCC1C2(C)C","InChI=1S/C21H38N4O4/c1-19(2)13-9-10-21(19,5)12-15(13)23-17(28)20(3,4)25-18(29)24-14(16(26)27)8-6-7-11-22/h13-15H,6-12,22H2,1-5H3,(H,23,28)(H,26,27)(H2,24,25,29)/t13?,14-,15?,21?/m0/s1","UKTRIANNESCITF-WYIKUNGISA-N",null,6100]
["D10393",12021,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43152","CC(C)(O)C#Cc1ccc(CN2CCN(C(CCO)C2)C2CCCCC2)cc1","InChI=1S/C24H36N2O2/c1-24(2,28)14-12-20-8-10-21(11-9-20)18-25-15-16-26(23(19-25)13-17-27)22-6-4-3-5-7-22/h8-11,22-23,27-28H,3-7,13,15-19H2,1-2H3","IVTUZADYGBIAHW-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D10394",16386,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277823","CC(C)(O)C(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C32H38N8O4/c1-32(2,42)30(41)40-11-9-27(10-12-40)44-28-8-3-22(17-23(28)18-33)29-34-21-35-31(37-29)36-24-4-6-25(7-5-24)38-13-15-39(16-14-38)26-19-43-20-26/h3-8,17,21,26-27,42H,9-16,19-20H2,1-2H3,(H,34,35,36,37)","MXSKANBBVMHWBN-UHFFFAOYSA-N",null,202]
["D10395",15715,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278331","CC(C)(O)CC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C33H39FN8O4/c1-33(2,44)16-30(43)42-10-9-29(27(34)18-42)46-28-8-3-22(15-23(28)17-35)31-36-21-37-32(39-31)38-24-4-6-25(7-5-24)40-11-13-41(14-12-40)26-19-45-20-26/h3-8,15,21,26-27,29,44H,9-14,16,18-20H2,1-2H3,(H,36,37,38,39)/t27-,29+/m1/s1","RYMUQZOWSPTQPS-PXJZQJOASA-N",null,38]
["D10396",16444,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397742","CC(C)(O)CN(CC(F)(F)F)C(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C22H24F3N7O3/c1-21(2,35)11-32(12-22(23,24)25)19(33)10-29-15-5-14(7-27-16(15)6-26)17-8-30-18(9-28-17)31-20(34)13-3-4-13/h5,7-9,13,29,35H,3-4,10-12H2,1-2H3,(H,30,31,34)","XBONZYDPFFBNQV-UHFFFAOYSA-N",null,251]
["D10397",15483,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245950","CC(C)(O)CNc1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1","InChI=1S/C23H25FN8O/c1-23(2,33)14-29-20-4-3-18(12-27-20)30-22-26-7-5-19(31-22)16-9-15(10-25)21(28-11-16)32-8-6-17(24)13-32/h3-5,7,9,11-12,17,33H,6,8,13-14H2,1-2H3,(H,27,29)(H,26,30,31)/t17-/m0/s1","GVEBDZPIKSWGAG-KRWDZBQOSA-N",null,"<30",{"$nulls":4},7.5]
["D10398",17161,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278290","CC(C)(O)Cn1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@@H](O)CO)c(c2)C#N)cn1","InChI=1S/C25H29FN8O5/c1-25(2,38)13-34-10-17(9-30-34)31-24-29-14-28-22(32-24)15-3-4-20(16(7-15)8-27)39-21-5-6-33(11-18(21)26)23(37)19(36)12-35/h3-4,7,9-10,14,18-19,21,35-36,38H,5-6,11-13H2,1-2H3,(H,28,29,31,32)/t18-,19+,21+/m1/s1","YPUJLPFDSVVFMZ-DYXWJJEUSA-N",null,2000,{"$nulls":4},7]
["D10399",25785,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Sarcoplasmic/endoplasmic reticulum calcium ATPase 2","Rattus norvegicus","BDBM50854","CC(C)(O)[C@H]1O[C@H]2CC[C@]3(C)[C@]4(C)[C@H](Cc5c4[nH]c4ccccc54)CC[C@@]3(O)C2=CC1=O","InChI=1S/C27H33NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,21,23,28,30-31H,9-13H2,1-4H3/t15-,21-,23-,25+,26+,27+/m0/s1","ACNHBCIZLNNLRS-UBGQALKQSA-N",null,5000]
["D10400",16662,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278175","CC(C)(O)c1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)ccn1","InChI=1S/C25H26FN7O4/c1-25(2,36)21-10-17(5-7-28-21)31-24-30-14-29-23(32-24)15-3-4-19(16(9-15)11-27)37-20-6-8-33(12-18(20)26)22(35)13-34/h3-5,7,9-10,14,18,20,34,36H,6,8,12-13H2,1-2H3,(H,28,29,30,31,32)/t18-,20+/m1/s1","DFQJNFGZAMXNJM-QUCCMNQESA-N",null,2]
["D10401",15395,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478642","CC(C)(O)c1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C27H29F3N8O2/c1-26(2,40)22-13-20(32-16-33-22)18-3-4-19-21(12-18)35-25(34-19)36-23-11-17(5-6-31-23)15-37-7-9-38(10-8-37)24(39)14-27(28,29)30/h3-6,11-13,16,40H,7-10,14-15H2,1-2H3,(H2,31,34,35,36)","XRJOBKJUXOXMDH-UHFFFAOYSA-N",null,22]
["D10402",14810,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277818","CC(C)(O)c1ccc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cc1","InChI=1S/C24H25N5O3/c1-24(2,30)18-4-6-19(7-5-18)28-23-27-15-26-22(29-23)16-3-8-21(17(13-16)14-25)32-20-9-11-31-12-10-20/h3-8,13,15,20,30H,9-12H2,1-2H3,(H,26,27,28,29)","HNLSDFDJZLXTHF-UHFFFAOYSA-N",null,6]
["D10403",14824,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278166","CC(C)(O)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)cn1","InChI=1S/C25H26FN7O4/c1-25(2,36)21-6-4-17(11-28-21)31-24-30-14-29-23(32-24)15-3-5-19(16(9-15)10-27)37-20-7-8-33(12-18(20)26)22(35)13-34/h3-6,9,11,14,18,20,34,36H,7-8,12-13H2,1-2H3,(H,29,30,31,32)/t18-,20+/m1/s1","QLUFGSNYFKCBJT-QUCCMNQESA-N",null,6]
["D10404",15260,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276996","CC(C)(O)c1ccc(cc1)-c1cc2c(c(F)cnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C28H26FN3O3/c1-28(2,33)20-6-3-17(4-7-20)24-14-22-26(23(29)16-31-27(22)32-24)18-5-8-25(19(13-18)15-30)35-21-9-11-34-12-10-21/h3-8,13-14,16,21,33H,9-12H2,1-2H3,(H,31,32)","BKJRFMUYVNJZKE-UHFFFAOYSA-N",null,15.6,{"$nulls":4},7]
["D10405",14582,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276993","CC(C)(O)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1cc(C#N)c(OC2CCOCC2)cn1","InChI=1S/C27H26N4O3/c1-27(2,32)19-5-3-17(4-6-19)23-14-22-21(7-10-29-26(22)31-23)24-13-18(15-28)25(16-30-24)34-20-8-11-33-12-9-20/h3-7,10,13-14,16,20,32H,8-9,11-12H2,1-2H3,(H,29,31)","ZKDPTJOJEWYFEP-UHFFFAOYSA-N",null,3.84]
["D10406",18295,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276878","CC(C)(O)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C28H27N3O3/c1-28(2,32)21-6-3-18(4-7-21)25-16-24-23(9-12-30-27(24)31-25)19-5-8-26(20(15-19)17-29)34-22-10-13-33-14-11-22/h3-9,12,15-16,22,32H,10-11,13-14H2,1-2H3,(H,30,31)","OKCGDSORGJQEJP-UHFFFAOYSA-N",null,2.77]
["D10407",16071,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276973","CC(C)(O)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(O[C@@H]2CCN(C2)C(=O)CO)c(c1)C#N","InChI=1S/C29H28N4O4/c1-29(2,36)21-6-3-18(4-7-21)25-14-24-23(9-11-31-28(24)32-25)19-5-8-26(20(13-19)15-30)37-22-10-12-33(16-22)27(35)17-34/h3-9,11,13-14,22,34,36H,10,12,16-17H2,1-2H3,(H,31,32)/t22-/m1/s1","LDJRWCYJKDXGCY-JOCHJYFZSA-N",null,1.54]
["D10408",15754,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276975","CC(C)(O)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(O[C@@H]2CCNC2)c(c1)C#N","InChI=1S/C27H26N4O2/c1-27(2,32)20-6-3-17(4-7-20)24-14-23-22(10-12-30-26(23)31-24)18-5-8-25(19(13-18)15-28)33-21-9-11-29-16-21/h3-8,10,12-14,21,29,32H,9,11,16H2,1-2H3,(H,30,31)/t21-/m1/s1","FXKNBVDEHBSMEE-OAQYLSRUSA-N",null,43,{"$nulls":4},7]
["D10409",15704,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276935","CC(C)(O)c1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1ccc(CN2CCOCC2)c(c1)C#N","InChI=1S/C27H27N5O2/c1-27(2,33)22-7-5-18(6-8-22)24-14-23-25(29-17-30-26(23)31-24)19-3-4-20(21(13-19)15-28)16-32-9-11-34-12-10-32/h3-8,13-14,17,33H,9-12,16H2,1-2H3,(H,29,30,31)","GANHRJNVDOQXBZ-UHFFFAOYSA-N",null,36.9]
["D10410",14447,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276933","CC(C)(O)c1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C27H26N4O3/c1-27(2,32)20-6-3-17(4-7-20)23-14-22-25(29-16-30-26(22)31-23)18-5-8-24(19(13-18)15-28)34-21-9-11-33-12-10-21/h3-8,13-14,16,21,32H,9-12H2,1-2H3,(H,29,30,31)","XKOFZEQBVZTDKP-UHFFFAOYSA-N",null,0.821]
["D10411",16078,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277036","CC(C)(O)c1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C26H25N5O3/c1-26(2,32)19-6-3-16(4-7-19)24-30-23-22(28-15-29-25(23)31-24)17-5-8-21(18(13-17)14-27)34-20-9-11-33-12-10-20/h3-8,13,15,20,32H,9-12H2,1-2H3,(H,28,29,30,31)","BDDBUOVVYOJPSW-UHFFFAOYSA-N",null,1.62]
["D10412",14539,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276956","CC(C)(O)c1ccc(cn1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)CO)c(c1)C#N","InChI=1S/C28H28N6O4/c1-28(2,37)24-6-4-18(14-30-24)22-12-21-26(31-16-32-27(21)33-22)17-3-5-23(19(11-17)13-29)38-20-7-9-34(10-8-20)25(36)15-35/h3-6,11-12,14,16,20,35,37H,7-10,15H2,1-2H3,(H,31,32,33)","OTDPQDOEHSIHCV-UHFFFAOYSA-N",null,3.26]
["D10413",18296,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276953","CC(C)(O)c1ccc(cn1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C26H25N5O3/c1-26(2,32)23-6-4-17(14-28-23)21-12-20-24(29-15-30-25(20)31-21)16-3-5-22(18(11-16)13-27)34-19-7-9-33-10-8-19/h3-6,11-12,14-15,19,32H,7-10H2,1-2H3,(H,29,30,31)","CKAWWKPUCRQQGO-UHFFFAOYSA-N",null,2.77]
["D10414",17113,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277825","CC(C)(O)c1cccc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1","InChI=1S/C24H25N5O3/c1-24(2,30)18-4-3-5-19(13-18)28-23-27-15-26-22(29-23)16-6-7-21(17(12-16)14-25)32-20-8-10-31-11-9-20/h3-7,12-13,15,20,30H,8-11H2,1-2H3,(H,26,27,28,29)","MSXLIUGGWDIIKN-UHFFFAOYSA-N",null,2000,{"$nulls":4},7]
["D10415",15086,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276882","CC(C)(O)c1cccc(c1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C28H27N3O3/c1-28(2,32)21-5-3-4-19(15-21)25-16-24-23(8-11-30-27(24)31-25)18-6-7-26(20(14-18)17-29)34-22-9-12-33-13-10-22/h3-8,11,14-16,22,32H,9-10,12-13H2,1-2H3,(H,30,31)","FWVWZYYDXODNIY-UHFFFAOYSA-N",null,10.6]
["D10416",25938,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Sarcoplasmic/endoplasmic reticulum calcium ATPase 2","Rattus norvegicus","BDBM29608","CC(C)(c1ccc(O)cc1)c1ccc(O)cc1","InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3","IISBACLAFKSPIT-UHFFFAOYSA-N",null,2000]
["D10417",4367,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66302","CC(C)=C1C2C=CC1C1C2C(=O)N(C1=O)c1ccc2OCOc2c1","InChI=1S/C19H17NO4/c1-9(2)15-11-4-5-12(15)17-16(11)18(21)20(19(17)22)10-3-6-13-14(7-10)24-8-23-13/h3-7,11-12,16-17H,8H2,1-2H3","ASIICBLSIDAYNC-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10418",5096,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Macrophage scavenger receptor types I and II","Homo sapiens","BDBM50292390","CC(C)=CCC=C(C)c1c(O)cc(C)c(O)c1O","InChI=1S/C15H20O3/c1-9(2)6-5-7-10(3)13-12(16)8-11(4)14(17)15(13)18/h6-8,16-18H,5H2,1-4H3","QKJCPXLTUAITIY-UHFFFAOYSA-N",null,5600]
["D10419",32156,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50448068","CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)C(C(=O)c3ccc(O)c(O)c3)C(=O)[C@]1(CC=C(C)C)C2=O","InChI=1S/C38H50O6/c1-23(2)11-10-18-36(9)28(14-12-24(3)4)22-37(19-16-25(5)6)33(42)31(32(41)27-13-15-29(39)30(40)21-27)34(43)38(36,35(37)44)20-17-26(7)8/h11-13,15-17,21,28,31,39-40H,10,14,18-20,22H2,1-9H3/t28-,31?,36+,37+,38-/m1/s1","LWCXCCIEYYYTNE-MNPAYMIJSA-N",null,null,20600]
["D10420",32157,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50448069","CC(C)=CCC\\C(C)=C\\C[C@@]12C[C@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)C1=O)C2=O","InChI=1S/C38H50O6/c1-23(2)11-10-12-26(7)18-19-37-22-28(15-13-24(3)4)36(8,9)38(35(37)44,20-17-25(5)6)34(43)31(33(37)42)32(41)27-14-16-29(39)30(40)21-27/h11,13-14,16-18,21,28,31,39-40H,10,12,15,19-20,22H2,1-9H3/b26-18+/t28-,31?,37+,38-/m0/s1","HHUFEKGQWSKIQJ-LLCXBDAVSA-N",null,null,4670]
["D10421",32155,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50241990","CC(C)=CC[C@@H](C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)C1=O)C2=O)C(C)=C","InChI=1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h11-12,14,16-17,19,27-28,31,39-40H,7,13,15,18,20-21H2,1-6,8-10H3/t27-,28+,31?,37+,38-/m0/s1","YESGFVCPMZHDNK-FIXRDIOOSA-N",null,null,16900]
["D10422",32408,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50509720","CC(C)=CCc1cc(NC(=O)CCc2ccccc2)cc(\\C=C\\C(O)=O)c1","InChI=1S/C23H25NO3/c1-17(2)8-9-19-14-20(11-13-23(26)27)16-21(15-19)24-22(25)12-10-18-6-4-3-5-7-18/h3-8,11,13-16H,9-10,12H2,1-2H3,(H,24,25)(H,26,27)/b13-11+","OLZABESEMNMHRL-ACCUITESSA-N",null,206000]
["D10423",32405,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50509746","CC(C)=CCc1cc(\\C=C\\C(O)=O)cc(c1)C(=O)NCCc1ccc(F)cc1","InChI=1S/C23H24FNO3/c1-16(2)3-4-18-13-19(7-10-22(26)27)15-20(14-18)23(28)25-12-11-17-5-8-21(24)9-6-17/h3,5-10,13-15H,4,11-12H2,1-2H3,(H,25,28)(H,26,27)/b10-7+","LYPFVLPMHOEBJY-JXMROGBWSA-N",null,140000]
["D10424",32386,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50509723","CC(C)=CCc1cc(\\C=C\\C(O)=O)cc(c1)C(=O)NCCc1ccccc1","InChI=1S/C23H25NO3/c1-17(2)8-9-19-14-20(10-11-22(25)26)16-21(15-19)23(27)24-13-12-18-6-4-3-5-7-18/h3-8,10-11,14-16H,9,12-13H2,1-2H3,(H,24,27)(H,25,26)/b11-10+","SQICJHHIIRGRSA-ZHACJKMWSA-N",null,99000]
["D10425",32406,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50509771","CC(C)=CCc1cc(\\C=C\\C(O)=O)cc(c1)C(=O)NCc1ccc(C)cc1","InChI=1S/C23H25NO3/c1-16(2)4-7-19-12-20(10-11-22(25)26)14-21(13-19)23(27)24-15-18-8-5-17(3)6-9-18/h4-6,8-14H,7,15H2,1-3H3,(H,24,27)(H,25,26)/b11-10+","QLILIESGRGWCSL-ZHACJKMWSA-N",null,145000]
["D10426",32407,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50509744","CC(C)=CCc1cc(\\C=C\\C(O)=O)cc(c1)C(=O)NCc1ccc(OC(F)(F)F)cc1","InChI=1S/C23H22F3NO4/c1-15(2)3-4-17-11-18(7-10-21(28)29)13-19(12-17)22(30)27-14-16-5-8-20(9-6-16)31-23(24,25)26/h3,5-13H,4,14H2,1-2H3,(H,27,30)(H,28,29)/b10-7+","LHORRWNZWXDXQU-JXMROGBWSA-N",null,151000]
["D10427",32404,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50509743","CC(C)=CCc1cc(\\C=C\\C(O)=O)cc(c1)C(=O)NCc1cccc(OC(F)(F)F)c1","InChI=1S/C23H22F3NO4/c1-15(2)6-7-16-10-17(8-9-21(28)29)12-19(11-16)22(30)27-14-18-4-3-5-20(13-18)31-23(24,25)26/h3-6,8-13H,7,14H2,1-2H3,(H,27,30)(H,28,29)/b9-8+","XZRIDRASPFEZIN-CMDGGOBGSA-N",null,133000]
["D10428",32244,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50509728","CC(C)=CCc1cc(\\C=C\\C(O)=O)cc(c1)C(=O)OCCc1ccccc1","InChI=1S/C23H24O4/c1-17(2)8-9-19-14-20(10-11-22(24)25)16-21(15-19)23(26)27-13-12-18-6-4-3-5-7-18/h3-8,10-11,14-16H,9,12-13H2,1-2H3,(H,24,25)/b11-10+","KXRLYTUEAMHMJD-ZHACJKMWSA-N",null,15000]
["D10429",32250,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50384946","CC(C)=CCc1cc(\\C=C\\C(O)=O)ccc1OC(=O)CCc1ccccc1","InChI=1S/C23H24O4/c1-17(2)8-12-20-16-19(10-14-22(24)25)9-13-21(20)27-23(26)15-11-18-6-4-3-5-7-18/h3-10,13-14,16H,11-12,15H2,1-2H3,(H,24,25)/b14-10+","BJIVLGIZOMJQRT-GXDHUFHOSA-N",null,21000]
["D10430",17673,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50469228","CC(C)C#Cc1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O","InChI=1S/C18H14N2O4/c1-9(2)3-4-10-5-6-14-11(7-10)15(21)12-8-13(18(22)23)16(19)20-17(12)24-14/h5-9H,1-2H3,(H2,19,20)(H,22,23)","ZJQBIFXVZPLISS-UHFFFAOYSA-N",null,12000]
["D10431",11830,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42983","CC(C)C(=O)N1C2CCC1CC(O)(C2)c1ccc(F)cc1","InChI=1S/C17H22FNO2/c1-11(2)16(20)19-14-7-8-15(19)10-17(21,9-14)12-3-5-13(18)6-4-12/h3-6,11,14-15,21H,7-10H2,1-2H3","WHNVESPNUXYRTO-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D10432",4187,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67070","CC(C)C(=O)Nc1cc(ccc1N1CCCCC1)S(=O)(=O)N1CCOCC1","InChI=1S/C19H29N3O4S/c1-15(2)19(23)20-17-14-16(27(24,25)22-10-12-26-13-11-22)6-7-18(17)21-8-4-3-5-9-21/h6-7,14-15H,3-5,8-13H2,1-2H3,(H,20,23)","VFDJYMDBVTXVRB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10433",4549,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM33791","CC(C)C(=O)n1nc(nc1NCc1ccc(F)cc1)-c1cccnc1","InChI=1S/C18H18FN5O/c1-12(2)17(25)24-18(21-10-13-5-7-15(19)8-6-13)22-16(23-24)14-4-3-9-20-11-14/h3-9,11-12H,10H2,1-2H3,(H,21,22,23)","YPCJTDICOPOBBN-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10434",12111,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM50350406","CC(C)C(NC(C)=O)c1cc(Cl)c2cccnc2c1O","InChI=1S/C15H17ClN2O2/c1-8(2)13(18-9(3)19)11-7-12(16)10-5-4-6-17-14(10)15(11)20/h4-8,13,20H,1-3H3,(H,18,19)","UPWFKLQAXNTZLR-UHFFFAOYSA-N",null,4538]
["D10435",15805,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397636","CC(C)C(Nc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)C","InChI=1S/C22H26N6O2/c1-13(2)20(22(30)28(3)4)26-17-9-15(7-8-16(17)10-23)18-11-25-19(12-24-18)27-21(29)14-5-6-14/h7-9,11-14,20,26H,5-6H2,1-4H3,(H,25,27,29)","DFWTVNIOPWJYRQ-UHFFFAOYSA-N",null,50.1]
["D10436",15223,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246065","CC(C)C(Nc1ncc(cc1C#N)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1)C(N)=O","InChI=1S/C25H29N9O2/c1-16(2)22(23(27)35)33-24-17(12-26)11-18(13-30-24)21-5-6-28-25(32-21)31-19-3-4-20(29-14-19)15-34-7-9-36-10-8-34/h3-6,11,13-14,16,22H,7-10,15H2,1-2H3,(H2,27,35)(H,30,33)(H,28,31,32)","FWXRZTSLQHEDNR-UHFFFAOYSA-N",null,"<15",{"$nulls":4},7.5]
["D10437",4514,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66475","CC(C)C(OC(=O)c1cc2CCCCCc2s1)C(=O)NC(N)=O","InChI=1S/C16H22N2O4S/c1-9(2)13(14(19)18-16(17)21)22-15(20)12-8-10-6-4-3-5-7-11(10)23-12/h8-9,13H,3-7H2,1-2H3,(H3,17,18,19,21)","VVBGZOVWTONFLC-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10438",17946,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569930","CC(C)C1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5ccc(OC(F)(F)F)c(c5)C#N)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D10439",18022,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570007","CC(C)C1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(C5CCCOC5C)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D10440",17980,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570054","CC(C)C1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(CCC#N)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D10441",18018,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570003","CC(C)C1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(CCCC#N)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D10442",17817,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569832","CC(C)C1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(c34)C(F)(F)F)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D10443",17900,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569881","CC(C)C1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]ccc34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D10444",14391,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Homo sapiens","BDM50051434","CC(C)C1(O)C(OC(=O)c2ccc[nH]2)C2(O)C3(C)CC4(O)OC5(C(O)C(C)CCC35O)C2(O)C14C","InChI=1S/C25H35NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-7,10,12-13,15,17,26-27,29-33H,8-9,11H2,1-5H3","JJSYXNQGLHBRRK-UHFFFAOYSA-N",1.8]
["D10445",18567,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Oryctolagus cuniculus","BDM50044991","CC(C)C1(O)[C@@H](OC(=O)c2ccc[nH]2)C2(O)[C@@]3(C)CC4(O)OC5([C@H](O)C(=C)CCC35O)C2(O)C14C","InChI=1S/C25H33NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-7,10,12,15,17,26-27,29-33H,3,8-9,11H2,1-2,4-5H3/t15-,17-,18+,19?,20?,21?,22?,23?,24?,25?/m1/s1","BPFNBBLVUYSFRK-MKKQGFNNSA-N",null,8.9]
["D10446",18582,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Oryctolagus cuniculus","BDM50044985","CC(C)C1(O)[C@@H](OC(=O)c2ccc[nH]2)C2(O)[C@@]3(C)CC4(O)OC5([C@H](OC(=O)CCC([O-])=O)C(C)CCC35O)C2(O)C14C","InChI=1S/C29H39NO12/c1-14(2)26(37)21(41-20(34)16-7-6-12-30-16)27(38)22(4)13-25(36)23(26,5)29(27,39)28(42-25)19(15(3)10-11-24(22,28)35)40-18(33)9-8-17(31)32/h6-7,12,14-15,19,21,30,35-39H,8-11,13H2,1-5H3,(H,31,32)/p-1/t15?,19-,21-,22+,23?,24?,25?,26?,27?,28?,29?/m1/s1","CHFBHBONOVYZBO-JFHFAMTHSA-M",null,">1000"]
["D10447",18562,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Oryctolagus cuniculus","BDM50044995","CC(C)C1(O)[C@@H](OC(=O)c2ccc[nH]2)C2(O)[C@@]3(C)CC4(O)OC5([C@H](OC(=O)CCN)C(C)CCC35O)C2(O)C14C","InChI=1S/C28H40N2O10/c1-14(2)25(35)20(39-19(32)16-7-6-12-30-16)26(36)21(4)13-24(34)22(25,5)28(26,37)27(40-24)18(38-17(31)9-11-29)15(3)8-10-23(21,27)33/h6-7,12,14-15,18,20,30,33-37H,8-11,13,29H2,1-5H3/t15?,18-,20-,21+,22?,23?,24?,25?,26?,27?,28?/m1/s1","RNYNXNCQNFQWFI-UHHIQCFMSA-N",null,2.6]
["D10448",18565,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Oryctolagus cuniculus","BDM50044990","CC(C)C1(O)[C@@H](OC(=O)c2ccc[nH]2)C2(O)[C@@]3(C)CC4(O)OC5([C@H](OC(=O)CCNC(=O)OCc6ccccc6)C(C)CCC35O)C2(O)C14C","InChI=1S/C36H46N2O12/c1-20(2)33(44)27(49-26(40)23-12-9-16-37-23)34(45)29(4)19-32(43)30(33,5)36(34,46)35(50-32)25(21(3)13-15-31(29,35)42)48-24(39)14-17-38-28(41)47-18-22-10-7-6-8-11-22/h6-12,16,20-21,25,27,37,42-46H,13-15,17-19H2,1-5H3,(H,38,41)/t21?,25-,27-,29+,30?,31?,32?,33?,34?,35?,36?/m1/s1","YNAMTGCWRIKJBG-IQCGZQJLSA-N",null,5.9]
["D10449",18558,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Oryctolagus cuniculus","BDM50044989","CC(C)C1(O)[C@@H](OC(=O)c2ccc[nH]2)C2(O)[C@@]3(C)CC4(O)OC5([C@H](OC(=O)CCNC(N)=N)C(C)CCC35O)C2(O)C14C","InChI=1S/C29H42N4O10/c1-14(2)26(38)20(42-19(35)16-7-6-11-32-16)27(39)22(4)13-25(37)23(26,5)29(27,40)28(43-25)18(15(3)8-10-24(22,28)36)41-17(34)9-12-33-21(30)31/h6-7,11,14-15,18,20,32,36-40H,8-10,12-13H2,1-5H3,(H4,30,31,33)/t15?,18-,20-,22+,23?,24?,25?,26?,27?,28?,29?/m1/s1","ZCZPMYVYWWNDNA-IYRTUPHRSA-N",null,1.1]
["D10450",18571,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Oryctolagus cuniculus","BDM50044987","CC(C)C1(O)[C@@H](OC(=O)c2ccc[nH]2)C2(O)[C@@]3(C)CC4(O)OC5([C@H](OC(=O)CCNC(NC(=O)OCc6ccccc6)=NC(=O)OCc6ccccc6)C(C)CCC35O)C2(O)C14C","InChI=1S/C45H54N4O14/c1-26(2)42(56)34(62-33(51)30-17-12-21-46-30)43(57)38(4)25-41(55)39(42,5)45(43,58)44(63-41)32(27(3)18-20-40(38,44)54)61-31(50)19-22-47-35(48-36(52)59-23-28-13-8-6-9-14-28)49-37(53)60-24-29-15-10-7-11-16-29/h6-17,21,26-27,32,34,46,54-58H,18-20,22-25H2,1-5H3,(H2,47,48,49,52,53)/t27?,32-,34-,38+,39?,40?,41?,42?,43?,44?,45?/m1/s1","OODCQSZBEABRLE-RHMKQUNFSA-N",null,44]
["D10451",18559,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Oryctolagus cuniculus","BDM50044982","CC(C)C1(O)[C@@H](OC(=O)c2ccc[nH]2)C2(O)[C@@]3(C)CC4(O)OC5([C@H](OC(=O)CN)C(C)CCC35O)C2(O)C14C","InChI=1S/C27H38N2O10/c1-13(2)24(34)19(38-18(31)15-7-6-10-29-15)25(35)20(4)12-23(33)21(24,5)27(25,36)26(39-23)17(37-16(30)11-28)14(3)8-9-22(20,26)32/h6-7,10,13-14,17,19,29,32-36H,8-9,11-12,28H2,1-5H3/t14?,17-,19-,20+,21?,22?,23?,24?,25?,26?,27?/m1/s1","XNUMBOKCFNVRAL-MPGPDOFNSA-N",null,1.8]
["D10452",18564,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Oryctolagus cuniculus","BDM50044993","CC(C)C1(O)[C@@H](OC(=O)c2ccc[nH]2)C2(O)[C@@]3(C)CC4(O)OC5([C@H](OC(=O)CNC(=O)OCc6ccccc6)C(C)CCC35O)C2(O)C14C","InChI=1S/C35H44N2O12/c1-19(2)32(43)26(48-25(39)22-12-9-15-36-22)33(44)28(4)18-31(42)29(32,5)35(33,45)34(49-31)24(20(3)13-14-30(28,34)41)47-23(38)16-37-27(40)46-17-21-10-7-6-8-11-21/h6-12,15,19-20,24,26,36,41-45H,13-14,16-18H2,1-5H3,(H,37,40)/t20?,24-,26-,28+,29?,30?,31?,32?,33?,34?,35?/m1/s1","ZJAWJJNLZWLOIL-JIVHGXQSSA-N",null,4.8]
["D10453",18560,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Oryctolagus cuniculus","BDM50044986","CC(C)C1(O)[C@@H](OC(=O)c2ccc[nH]2)C2(O)[C@@]3(C)CC4(O)OC5([C@H](OC(=O)CNC(N)=N)C(C)CCC35O)C2(O)C14C","InChI=1S/C28H40N4O10/c1-13(2)25(37)19(41-18(34)15-7-6-10-31-15)26(38)21(4)12-24(36)22(25,5)28(26,39)27(42-24)17(14(3)8-9-23(21,27)35)40-16(33)11-32-20(29)30/h6-7,10,13-14,17,19,31,35-39H,8-9,11-12H2,1-5H3,(H4,29,30,32)/t14?,17-,19-,21+,22?,23?,24?,25?,26?,27?,28?/m1/s1","JJIABRHLFSNGBC-BTZWEUFCSA-N",null,1.8]
["D10454",18575,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Oryctolagus cuniculus","BDM50044984","CC(C)C1(O)[C@@H](OC(=O)c2ccc[nH]2)C2(O)[C@@]3(C)CC4(O)OC5([C@H](OC(=O)CNC(NC(=O)OCc6ccccc6)=NC(=O)OCc6ccccc6)C(C)CCC35O)C2(O)C14C","InChI=1S/C44H52N4O14/c1-25(2)41(55)33(61-32(50)29-17-12-20-45-29)42(56)37(4)24-40(54)38(41,5)44(42,57)43(62-40)31(26(3)18-19-39(37,43)53)60-30(49)21-46-34(47-35(51)58-22-27-13-8-6-9-14-27)48-36(52)59-23-28-15-10-7-11-16-28/h6-17,20,25-26,31,33,45,53-57H,18-19,21-24H2,1-5H3,(H2,46,47,48,51,52)/t26?,31-,33-,37+,38?,39?,40?,41?,42?,43?,44?/m1/s1","NQGUDUOLYOZNBB-UTTPSZOSSA-N",null,136]
["D10455",607,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197559","CC(C)C12CC3CC(CC(C3)(C1)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C2","InChI=1S/C28H50N4O5S/c1-19(2)27-14-21-12-22(15-27)17-28(16-21,18-27)30-25(33)24(13-20-8-4-3-5-9-20)32-38(36,37)31-23(26(34)35)10-6-7-11-29/h19-24,31-32H,3-18,29H2,1-2H3,(H,30,33)(H,34,35)/t21?,22?,23-,24-,27?,28?/m0/s1","ZVCJHTCCYIGTGU-IBLNZPRFSA-N",null,400]
["D10456",13813,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19295253","CC(C)C12CC3CC(CC(C3)(C1)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C3","InChI=1S/C28H50N4O5S/c1-19(2)27-14-21-12-22(15-27)17-28(16-21,18-27)30-25(33)24(13-20-8-4-3-5-9-20)32-38(36,37)31-23(26(34)35)10-6-7-11-29/h19-24,31-32H,3-18,29H2,1-2H3,(H,30,33)(H,34,35)/t21?,22?,23-,24-,27?,28?/m0/s2","ZVCJHTCCYIGTGU-IBLNZPRFSA-N",-27175.103972461,2300.16257586747,33741.6157656938,{"$nulls":3},6.73735612469311]
["D10457",18578,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Oryctolagus cuniculus","BDM50044992","CC(C)C1=C(C)C2(O)C(O)([C@@H]1OC(=O)c1ccc[nH]1)[C@@]1(C)CC(=O)OC22[C@H](OC(=O)CCN)C(C)CCC12O","InChI=1S/C28H38N2O9/c1-14(2)20-16(4)26(35)27(36,22(20)38-23(33)17-7-6-12-30-17)24(5)13-19(32)39-28(26)21(37-18(31)9-11-29)15(3)8-10-25(24,28)34/h6-7,12,14-15,21-22,30,34-36H,8-11,13,29H2,1-5H3/t15?,21-,22-,24+,25?,26?,27?,28?/m1/s1","NJCSEUYLWFFKSS-FCKNYIKNSA-N",null,149]
["D10458",18591,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Oryctolagus cuniculus","BDM50016408","CC(C)C1=C(C)[C@@]2(O)[C@@](O)([C@@H]1OC(=O)c1ccc[nH]1)[C@@]1(C)CC(=O)O[C@@]22[C@H](O)[C@@H](C)CC[C@]12O","InChI=1S/C25H33NO8/c1-12(2)17-14(4)23(31)24(32,19(17)33-20(29)15-7-6-10-26-15)21(5)11-16(27)34-25(23)18(28)13(3)8-9-22(21,25)30/h6-7,10,12-13,18-19,26,28,30-32H,8-9,11H2,1-5H3/t13-,18+,19+,21-,22-,23+,24+,25+/m0/s1","PFPMKZBSCJNBMC-KGSHZRFRSA-N",null,">10000"]
["D10459",17991,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569976","CC(C)C1CCOC(Nc2cc(F)c(Oc3ccnc4[nH]cc(Cl)c34)c(F)c2)=N1",{"$nulls":3},">20000"]
["D10460",31913,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50189986","CC(C)C1Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(Cl)c(Cl)c1","InChI=1S/C19H18Cl2N6S/c1-9(2)17-15(10-6-7-12(20)13(21)8-10)26-27-18(24-25-19(27)28-17)16-11-4-3-5-14(11)22-23-16/h6-9,17H,3-5H2,1-2H3,(H,22,23)","TYTNAFBMEWHFMM-UHFFFAOYSA-N",null,">50000"]
["D10461",12265,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM5218","CC(C)C=NNC(=O)c1[nH]c2ccc(cc2c1C)[N+]([O-])=O","InChI=1S/C14H16N4O3/c1-8(2)7-15-17-14(19)13-9(3)11-6-10(18(20)21)4-5-12(11)16-13/h4-8,16H,1-3H3,(H,17,19)","XBXWCOYVHOGGDY-UHFFFAOYSA-N",null,17000]
["D10462",32179,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43618","CC(C)CC(=O)NC(=S)Nc1nc(cs1)-c1ccccc1","InChI=1S/C15H17N3OS2/c1-10(2)8-13(19)17-14(20)18-15-16-12(9-21-15)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H2,16,17,18,19,20)","UMLUJZSVOCVBGC-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D10463",4592,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66542","CC(C)CC(=O)Nc1ccc2OCOc2c1","InChI=1S/C12H15NO3/c1-8(2)5-12(14)13-9-3-4-10-11(6-9)16-7-15-10/h3-4,6,8H,5,7H2,1-2H3,(H,13,14)","KIDPNGVWTSQGEH-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10464",3838,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66764","CC(C)CC(=O)c1c[nH]c(c1)C(=O)NCc1ccccc1","InChI=1S/C17H20N2O2/c1-12(2)8-16(20)14-9-15(18-11-14)17(21)19-10-13-6-4-3-5-7-13/h3-7,9,11-12,18H,8,10H2,1-2H3,(H,19,21)","CMPRWNRVBBSLHU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10465",25842,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit alpha-1C/L-type calcium channel subunit beta-3/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM327847","CC(C)CC(CN)CC(O)=O","InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)","AYXYPKUFHZROOJ-UHFFFAOYSA-N",null,23]
["D10466",3759,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66374","CC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)c1ccc2OCC(=O)Nc2c1","InChI=1S/C23H23ClN2O6/c1-13(2)9-18(26-22(29)14-3-6-16(24)7-4-14)23(30)32-11-19(27)15-5-8-20-17(10-15)25-21(28)12-31-20/h3-8,10,13,18H,9,11-12H2,1-2H3,(H,25,28)(H,26,29)","DQKXQKDNAJLVID-UHFFFAOYSA-N",{"$nulls":3},5353]
["D10467",4652,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66594","CC(C)CC(NC(N)=O)C(=O)OCC(=O)Nc1ccc(SC(F)F)cc1","InChI=1S/C16H21F2N3O4S/c1-9(2)7-12(21-16(19)24)14(23)25-8-13(22)20-10-3-5-11(6-4-10)26-15(17)18/h3-6,9,12,15H,7-8H2,1-2H3,(H,20,22)(H3,19,21,24)","UQFNGZGWIWMLJI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10468",32189,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43628","CC(C)CC1N(CCc2c1[nH]c1ccccc21)C(=O)CCC(=O)N(C)C","InChI=1S/C21H29N3O2/c1-14(2)13-18-21-16(15-7-5-6-8-17(15)22-21)11-12-24(18)20(26)10-9-19(25)23(3)4/h5-8,14,18,22H,9-13H2,1-4H3","SMJVTXAOCGOCSF-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D10469",31921,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50190101","CC(C)CC1Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(Cl)c(Cl)c1","InChI=1S/C20H20Cl2N6S/c1-10(2)8-16-17(11-6-7-13(21)14(22)9-11)27-28-19(25-26-20(28)29-16)18-12-4-3-5-15(12)23-24-18/h6-7,9-10,16H,3-5,8H2,1-2H3,(H,23,24)","TWKJMYNCQSTQIM-UHFFFAOYSA-N",null,">50000"]
["D10470",375,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144337","CC(C)CCCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O","InChI=1S/C17H24N4O2/c1-12(2)4-3-7-21-10-15(20-11-21)14(17(22)23)8-13-5-6-16(18)19-9-13/h5-6,9-12,14H,3-4,7-8H2,1-2H3,(H2,18,19)(H,22,23)","UFHFBHSKTSVCMN-UHFFFAOYSA-N",null,2]
["D10471",447,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144333","CC(C)CCCn1cnc(c1)C(Cc1cnc(N)c(C)c1)C(O)=O","InChI=1S/C18H26N4O2/c1-12(2)5-4-6-22-10-16(21-11-22)15(18(23)24)8-14-7-13(3)17(19)20-9-14/h7,9-12,15H,4-6,8H2,1-3H3,(H2,19,20)(H,23,24)","SCNVVBWMMXFKQU-UHFFFAOYSA-N",null,12]
["D10472",4679,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66617","CC(C)CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O","InChI=1S/C24H26Cl2N4O3/c1-15(2)10-11-29(20(31)13-17-8-9-18(25)19(26)12-17)21-22(27)30(24(33)28-23(21)32)14-16-6-4-3-5-7-16/h3-9,12,15H,10-11,13-14,27H2,1-2H3,(H,28,32,33)","WTVYPWZYTWYOCC-UHFFFAOYSA-N",{"$nulls":3},11950]
["D10473",4708,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66637","CC(C)CCN1NC2(CCCC(C)C2)NC1=S","InChI=1S/C13H25N3S/c1-10(2)6-8-16-12(17)14-13(15-16)7-4-5-11(3)9-13/h10-11,15H,4-9H2,1-3H3,(H,14,17)","QTYAIGBMAJGPIF-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10474",11876,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43025","CC(C)CCNC(=O)NC(=O)COC(=O)\\C=C\\c1cnc2ccccc2n1","InChI=1S/C19H22N4O4/c1-13(2)9-10-20-19(26)23-17(24)12-27-18(25)8-7-14-11-21-15-5-3-4-6-16(15)22-14/h3-8,11,13H,9-10,12H2,1-2H3,(H2,20,23,24,26)/b8-7+","QNPPRJSFQMOGLT-BQYQJAHWSA-N",{"$nulls":3},35850]
["D10475",650,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089692","CC(C)CCNC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C21H40N4O4/c1-15(2)11-13-23-19(26)18(14-16-8-4-3-5-9-16)25-21(29)24-17(20(27)28)10-6-7-12-22/h15-18H,3-14,22H2,1-2H3,(H,23,26)(H,27,28)(H2,24,25,29)/t17-,18+/m0/s1","PNONBGCPQRQQBB-ZWKOTPCHSA-N",null,1500]
["D10476",646,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089685","CC(C)CCNC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C26H43N5O6/c1-19(2)14-17-28-23(32)21(30-25(35)31-22(24(33)34)13-6-8-15-27)12-7-9-16-29-26(36)37-18-20-10-4-3-5-11-20/h3-5,10-11,19,21-22H,6-9,12-18,27H2,1-2H3,(H,28,32)(H,29,36)(H,33,34)(H2,30,31,35)/t21-,22+/m1/s1","CHTDAZARBWINCK-YADHBBJMSA-N",null,1400]
["D10477",4417,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66334","CC(C)CCNC(=O)c1cc(nc2ccc(cc12)S(=O)(=O)N1CCOCC1)-c1ccncc1","InChI=1S/C24H28N4O4S/c1-17(2)5-10-26-24(29)21-16-23(18-6-8-25-9-7-18)27-22-4-3-19(15-20(21)22)33(30,31)28-11-13-32-14-12-28/h3-4,6-9,15-17H,5,10-14H2,1-2H3,(H,26,29)","GBMKCXVVOWPVLC-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10478",16824,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357903","CC(C)CCc1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O","InChI=1S/C18H18N2O4/c1-9(2)3-4-10-5-6-14-11(7-10)15(21)12-8-13(18(22)23)16(19)20-17(12)24-14/h5-9H,3-4H2,1-2H3,(H2,19,20)(H,22,23)","PTJMIMUODVJDSY-UHFFFAOYSA-N",null,830]
["D10479",483,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144317","CC(C)CCn1cnc(c1)C(CCCCN)C(O)=O","InChI=1S/C14H25N3O2/c1-11(2)6-8-17-9-13(16-10-17)12(14(18)19)5-3-4-7-15/h9-12H,3-8,15H2,1-2H3,(H,18,19)","AOIWFDFLMKUPPW-UHFFFAOYSA-N",null,24]
["D10480",381,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135934","CC(C)CCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O","InChI=1S/C16H22N4O2/c1-11(2)5-6-20-9-14(19-10-20)13(16(21)22)7-12-3-4-15(17)18-8-12/h3-4,8-11,13H,5-7H2,1-2H3,(H2,17,18)(H,21,22)","FUZLEHIZFGSVSF-UHFFFAOYSA-N",null,2.7]
["D10481",482,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144336","CC(C)CCn1cnc(c1)C(Cc1cnc(N)c(C)c1)C(O)=O","InChI=1S/C17H24N4O2/c1-11(2)4-5-21-9-15(20-10-21)14(17(22)23)7-13-6-12(3)16(18)19-8-13/h6,8-11,14H,4-5,7H2,1-3H3,(H2,18,19)(H,22,23)","OZYRJZYEHVFCDS-UHFFFAOYSA-N",null,23]
["D10482",518,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008272","CC(C)CCn1cnc2C[C@@](CCCN)(CCc12)C(O)=O","InChI=1S/C16H27N3O2.ClH/c1-12(2)5-9-19-11-18-13-10-16(15(20)21,6-3-8-17)7-4-14(13)19;/h11-12H,3-10,17H2,1-2H3,(H,20,21);1H/t16-;/m1./s1","ZKDOGGVTIBLFAB-PKLMIRHRSA-N",null,"<41"]
["D10483",3992,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66896","CC(C)CN(C(=O)C1CSC2(C)CCC(=O)N12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O","InChI=1S/C23H29N5O4S/c1-14(2)11-26(21(31)16-13-33-23(3)10-9-17(29)28(16)23)18-19(24)27(22(32)25-20(18)30)12-15-7-5-4-6-8-15/h4-8,14,16H,9-13,24H2,1-3H3,(H,25,30,32)","ZQVIGKUOUNEIGJ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10484",3851,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66777","CC(C)CN(CC(C)C)C(=O)c1cc2c(nc3ccccn3c2=O)s1","InChI=1S/C19H23N3O2S/c1-12(2)10-21(11-13(3)4)19(24)15-9-14-17(25-15)20-16-7-5-6-8-22(16)18(14)23/h5-9,12-13H,10-11H2,1-4H3","KIBFTJBXMYHBGA-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10485",4468,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66439","CC(C)CN1C(=S)SC(=Cc2c[nH]nc2-c2ccccc2)C1=O","InChI=1S/C17H17N3OS2/c1-11(2)10-20-16(21)14(23-17(20)22)8-13-9-18-19-15(13)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,18,19)/b14-8-","XVWNZWUBQWZRRP-ZSOIEALJSA-N",{"$nulls":3},40430]
["D10486",11966,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43099","CC(C)CNC(=O)COC(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1","InChI=1S/C21H23BrN2O5/c1-14(2)11-23-19(25)12-29-21(27)17-5-3-4-6-18(17)28-13-20(26)24-16-9-7-15(22)8-10-16/h3-10,14H,11-13H2,1-2H3,(H,23,25)(H,24,26)","FNDPYZOUFCWHMV-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D10487",631,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089696","CC(C)CNC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C20H38N4O4/c1-14(2)13-22-18(25)17(12-15-8-4-3-5-9-15)24-20(28)23-16(19(26)27)10-6-7-11-21/h14-17H,3-13,21H2,1-2H3,(H,22,25)(H,26,27)(H2,23,24,28)/t16-,17+/m0/s1","RUWUSBDCRNJOMS-DLBZAZTESA-N",null,850]
["D10488",32138,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM20280","CC(C)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N","InChI=1S/C27H35N4O7P/c1-17(2)13-23(26(33)29-16-18(3)4)31-27(34)24(30-25(32)21-9-5-20(15-28)6-10-21)14-19-7-11-22(12-8-19)38-39(35,36)37/h5-12,17-18,23-24H,13-14,16H2,1-4H3,(H,29,33)(H,30,32)(H,31,34)(H2,35,36,37)/t23-,24-/m0/s1","NJMFXDXGAQKJCL-ZEQRLZLVSA-N",null,74000,{"$nulls":4},7.8,"22.00 C"]
["D10489",4451,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66428","CC(C)CNC(=S)N(Cc1ccco1)Cc1cc2cc3OCCOc3cc2[nH]c1=O","InChI=1S/C22H25N3O4S/c1-14(2)11-23-22(30)25(13-17-4-3-5-27-17)12-16-8-15-9-19-20(29-7-6-28-19)10-18(15)24-21(16)26/h3-5,8-10,14H,6-7,11-13H2,1-2H3,(H,23,30)(H,24,26)","XDLNNJDOXWSUPN-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10490",15914,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153736","CC(C)COC(=O)c1ccc2NC(=O)\\C(=C/Nc3ccc(cc3)S(N)(=O)=O)c2c1","InChI=1S/C20H21N3O5S/c1-12(2)11-28-20(25)13-3-8-18-16(9-13)17(19(24)23-18)10-22-14-4-6-15(7-5-14)29(21,26)27/h3-10,12,22H,11H2,1-2H3,(H,23,24)(H2,21,26,27)/b17-10-","FOTACNUKABBYFV-YVLHZVERSA-N",null,70]
["D10491",17932,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569915","CC(C)COc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D10492",3813,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66744","CC(C)COc1ccc2[nH]c3c(CCC(=C)C3=O)c2c1","InChI=1S/C17H19NO2/c1-10(2)9-20-12-5-7-15-14(8-12)13-6-4-11(3)17(19)16(13)18-15/h5,7-8,10,18H,3-4,6,9H2,1-2H3","ZWJPRXUXVGPEJZ-UHFFFAOYSA-N",{"$nulls":3},15140]
["D10493",533,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089743","CC(C)C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC1CC2(C)CCC1C2(C)C","InChI=1S/C23H42N4O4/c1-14(2)12-17(27-21(31)26-16(20(29)30)8-6-7-11-24)19(28)25-18-13-23(5)10-9-15(18)22(23,3)4/h14-18H,6-13,24H2,1-5H3,(H,25,28)(H,29,30)(H2,26,27,31)/t15?,16-,17+,18?,23?/m0/s1","DPOMCPGADCDXDE-PPFFOOAHSA-N",null,57]
["D10494",18547,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50479189","CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(C)=O)[C@@H](C)O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2[C@H](O)CC[C@H](NC1=O)C2=O)C(C)C","InChI=1S/C50H70N8O13/c1-26(2)23-35-43(63)51-34-20-21-39(62)58(48(34)68)38(25-31-13-10-9-11-14-31)49(69)56(8)37(24-32-16-18-33(61)19-17-32)45(65)53-40(27(3)4)50(70)71-29(6)42(47(67)52-35)55-46(66)41(28(5)59)54-44(64)36-15-12-22-57(36)30(7)60/h9-11,13-14,16-19,26-29,34-42,59,61-62H,12,15,20-25H2,1-8H3,(H,51,63)(H,52,67)(H,53,65)(H,54,64)(H,55,66)/t28-,29-,34+,35+,36+,37+,38+,39-,40+,41+,42+/m1/s1","NGRWMTIDCSTQOO-XADDPKOHSA-N",null,2600]
["D10495",25626,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50260153","CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N2)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O)[C@@H](C)O","InChI=1S/C79H131N31O24S4/c1-35(2)26-49-70(127)107-51-31-136-135-30-41(81)63(120)105-50(28-57(84)114)71(128)108-53(73(130)99-42(12-7-8-22-80)64(121)96-38(5)77(134)110-25-11-15-54(110)75(132)102-47(18-21-58(115)116)69(126)109-59(39(6)111)76(133)95-37(4)62(119)104-49)33-138-137-32-52(106-66(123)44(14-10-24-92-79(88)89)98-65(122)43(13-9-23-91-78(86)87)97-61(118)36(3)94-72(51)129)74(131)101-45(16-19-55(82)112)67(124)100-46(17-20-56(83)113)68(125)103-48(60(85)117)27-40-29-90-34-93-40/h29,34-39,41-54,59,111H,7-28,30-33,80-81H2,1-6H3,(H2,82,112)(H2,83,113)(H2,84,114)(H2,85,117)(H,90,93)(H,94,129)(H,95,133)(H,96,121)(H,97,118)(H,98,122)(H,99,130)(H,100,124)(H,101,131)(H,102,132)(H,103,125)(H,104,119)(H,105,120)(H,106,123)(H,107,127)(H,108,128)(H,109,126)(H,115,116)(H4,86,87,91)(H4,88,89,92)/t36-,37-,38-,39+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1","YVIIHEKJCKCXOB-STYWVVQQSA-N",3.8]
["D10496",25666,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50155248","CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H]2CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N2)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O)[C@@H](C)O","InChI=1S/C79H131N31O24S4/c1-35(2)26-49-70(127)107-51-31-136-135-30-41(81)63(120)105-50(28-57(84)114)71(128)108-53(73(130)99-42(12-7-8-22-80)64(121)96-38(5)77(134)110-25-11-15-54(110)75(132)102-47(18-21-58(115)116)69(126)109-59(39(6)111)76(133)95-37(4)62(119)104-49)33-138-137-32-52(106-66(123)44(14-10-24-92-79(88)89)98-65(122)43(13-9-23-91-78(86)87)97-61(118)36(3)94-72(51)129)74(131)101-45(16-19-55(82)112)67(124)100-46(17-20-56(83)113)68(125)103-48(60(85)117)27-40-29-90-34-93-40/h29,34-39,41-54,59,111H,7-28,30-33,80-81H2,1-6H3,(H2,82,112)(H2,83,113)(H2,84,114)(H2,85,117)(H,90,93)(H,94,129)(H,95,133)(H,96,121)(H,97,118)(H,98,122)(H,99,130)(H,100,124)(H,101,131)(H,102,132)(H,103,125)(H,104,119)(H,105,120)(H,106,123)(H,107,127)(H,108,128)(H,109,126)(H,115,116)(H4,86,87,91)(H4,88,89,92)/t36-,37-,38-,39+,41+,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53+,54-,59-/m0/s1","YVIIHEKJCKCXOB-DUXFPFHYSA-N",null,1.6]
["D10497",28479,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50561185","CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N2)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(N)=O)[C@@H](C)O",{"$nulls":5},360]
["D10498",3588,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50072170","CC(C)C[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O","InChI=1S/C24H27NO5/c1-13(2)11-16-20(22(26)27)21(16)24(25,23(28)29)12-17-14-7-3-5-9-18(14)30-19-10-6-4-8-15(17)19/h3-10,13,16-17,20-21H,11-12,25H2,1-2H3,(H,26,27)(H,28,29)/t16-,20+,21+,24?/m1/s1","RQZMFVKQWUAIHP-CHYAVIAWSA-N",null,2600]
["D10499",25790,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Valyl-tRNA synthetase 2","Homo sapiens","BDBM50093005","CC(C)C[C@H](N)C(=O)NS(=O)(=O)CC(=O)N[C@]1([C@@H](O)C[C@@H]2[C@H]1CN(C)C=C2C(N)=O)C(O)=O","InChI=1S/C19H31N5O8S/c1-9(2)4-13(20)17(28)23-33(31,32)8-15(26)22-19(18(29)30)12-7-24(3)6-11(16(21)27)10(12)5-14(19)25/h6,9-10,12-14,25H,4-5,7-8,20H2,1-3H3,(H2,21,27)(H,22,26)(H,23,28)(H,29,30)/t10-,12+,13-,14-,19+/m0/s1","YABWOCJHKKFQIN-PQFXGCPVSA-N",null,290]
["D10500",3845,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66771","CC(C)C[C@H](NC(=O)COc1cc2OC(C)(C)CCc2c2oc(=O)cc(C)c12)C(O)=O","InChI=1S/C23H29NO7/c1-12(2)8-15(22(27)28)24-18(25)11-29-17-10-16-14(6-7-23(4,5)31-16)21-20(17)13(3)9-19(26)30-21/h9-10,12,15H,6-8,11H2,1-5H3,(H,24,25)(H,27,28)/t15-/m0/s1","OBRRFUYXQUWZSY-HNNXBMFYSA-N",{"$nulls":3},">350000"]
["D10501",4011,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66913","CC(C)C[C@H](NC(=O)N1CCn2c1nc1ccccc21)C(=O)NCc1ccccc1","InChI=1S/C23H27N5O2/c1-16(2)14-19(21(29)24-15-17-8-4-3-5-9-17)26-23(30)28-13-12-27-20-11-7-6-10-18(20)25-22(27)28/h3-11,16,19H,12-15H2,1-2H3,(H,24,29)(H,26,30)/t19-/m0/s1","YLKYOZDWENUEAE-IBGZPJMESA-N",{"$nulls":3},">350000"]
["D10502",32136,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM20274","CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(=O)NC(C)C","InChI=1S/C26H33N4O7P/c1-16(2)13-22(25(32)28-17(3)4)30-26(33)23(29-24(31)20-9-5-19(15-27)6-10-20)14-18-7-11-21(12-8-18)37-38(34,35)36/h5-12,16-17,22-23H,13-14H2,1-4H3,(H,28,32)(H,29,31)(H,30,33)(H2,34,35,36)/t22-,23-/m0/s1","JWLPLFCJJKGTQF-GOTSBHOMSA-N",null,58000]
["D10503",32137,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM20276","CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(=O)NC1CCCCC1","InChI=1S/C29H37N4O7P/c1-19(2)16-25(28(35)31-23-6-4-3-5-7-23)33-29(36)26(32-27(34)22-12-8-21(18-30)9-13-22)17-20-10-14-24(15-11-20)40-41(37,38)39/h8-15,19,23,25-26H,3-7,16-17H2,1-2H3,(H,31,35)(H,32,34)(H,33,36)(H2,37,38,39)/t25-,26-/m0/s1","ZFXIMUSPVDQCIE-UIOOFZCWSA-N",null,58000]
["D10504",32146,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM20275","CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(=O)NCCCO","InChI=1S/C26H33N4O8P/c1-17(2)14-22(25(33)28-12-3-13-31)30-26(34)23(29-24(32)20-8-4-19(16-27)5-9-20)15-18-6-10-21(11-7-18)38-39(35,36)37/h4-11,17,22-23,31H,3,12-15H2,1-2H3,(H,28,33)(H,29,32)(H,30,34)(H2,35,36,37)/t22-,23-/m0/s1","UMTZXPTVHWTSQL-GOTSBHOMSA-N",null,620000,{"$nulls":4},7.8,"22.00 C"]
["D10505",32147,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM20278","CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(=O)NCc1ccccc1","InChI=1S/C30H33N4O7P/c1-20(2)16-26(29(36)32-19-23-6-4-3-5-7-23)34-30(37)27(33-28(35)24-12-8-22(18-31)9-13-24)17-21-10-14-25(15-11-21)41-42(38,39)40/h3-15,20,26-27H,16-17,19H2,1-2H3,(H,32,36)(H,33,35)(H,34,37)(H2,38,39,40)/t26-,27-/m0/s1","YTSKWZWQJCIEGE-SVBPBHIXSA-N",null,800000,{"$nulls":4},7.8,"22.00 C"]
["D10506",32140,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM20281","CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(=O)NCc1ccncc1","InChI=1S/C29H32N5O7P/c1-19(2)15-25(28(36)32-18-22-11-13-31-14-12-22)34-29(37)26(33-27(35)23-7-3-21(17-30)4-8-23)16-20-5-9-24(10-6-20)41-42(38,39)40/h3-14,19,25-26H,15-16,18H2,1-2H3,(H,32,36)(H,33,35)(H,34,37)(H2,38,39,40)/t25-,26-/m0/s1","KQCOZNDHXQJJAG-UIOOFZCWSA-N",null,123000,{"$nulls":4},7.8,"22.00 C"]
["D10507",31286,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1","Mus musculus","BDBM50337198","CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(=O)Nc1cc(cc(c1)-c1ccc(cc1)C(N)=O)C(=O)NCc1ccccc1","InChI=1S/C44H43N6O9P/c1-27(2)20-38(50-44(55)39(49-42(53)33-12-8-29(25-45)9-13-33)21-28-10-18-37(19-11-28)59-60(56,57)58)43(54)48-36-23-34(31-14-16-32(17-15-31)40(46)51)22-35(24-36)41(52)47-26-30-6-4-3-5-7-30/h3-19,22-24,27,38-39H,20-21,26H2,1-2H3,(H2,46,51)(H,47,52)(H,48,54)(H,49,53)(H,50,55)(H2,56,57,58)/t38-,39-/m0/s1","PEXNGCNKHRPGFE-YDAXCOIMSA-N",16500]
["D10508",31285,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1","Mus musculus","BDBM50337199","CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(=O)Nc1ccc(C(=O)NCc2ccccc2)c(c1)-c1ccc(cc1)C(N)=O","InChI=1S/C44H43N6O9P/c1-27(2)22-38(50-44(55)39(49-41(52)33-12-8-29(25-45)9-13-33)23-28-10-19-35(20-11-28)59-60(56,57)58)43(54)48-34-18-21-36(42(53)47-26-30-6-4-3-5-7-30)37(24-34)31-14-16-32(17-15-31)40(46)51/h3-21,24,27,38-39H,22-23,26H2,1-2H3,(H2,46,51)(H,47,53)(H,48,54)(H,49,52)(H,50,55)(H2,56,57,58)/t38-,39-/m0/s1","JMEKYOKPXWRIOH-YDAXCOIMSA-N",6300]
["D10509",32144,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM20277","CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(=O)Nc1ccccc1","InChI=1S/C29H31N4O7P/c1-19(2)16-25(28(35)31-23-6-4-3-5-7-23)33-29(36)26(32-27(34)22-12-8-21(18-30)9-13-22)17-20-10-14-24(15-11-20)40-41(37,38)39/h3-15,19,25-26H,16-17H2,1-2H3,(H,31,35)(H,32,34)(H,33,36)(H2,37,38,39)/t25-,26-/m0/s1","FLVUHEKLFZXMHW-UIOOFZCWSA-N",null,310000,{"$nulls":4},7.8,"22.00 C"]
["D10510",32145,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM20273","CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(O)=O","InChI=1S/C23H26N3O8P/c1-14(2)11-20(23(29)30)26-22(28)19(25-21(27)17-7-3-16(13-24)4-8-17)12-15-5-9-18(10-6-15)34-35(31,32)33/h3-10,14,19-20H,11-12H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)(H2,31,32,33)/t19-,20-/m0/s1","HXSAWUQKNZJUNW-PMACEKPBSA-N",null,310000,{"$nulls":4},7.8,"22.00 C"]
["D10511",700,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197566","CC(C)C[C@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC12CC3CC(CC(C3)C1)C2","InChI=1S/C22H40N4O5S/c1-14(2)7-19(26-32(30,31)25-18(21(28)29)5-3-4-6-23)20(27)24-22-11-15-8-16(12-22)10-17(9-15)13-22/h14-19,25-26H,3-13,23H2,1-2H3,(H,24,27)(H,28,29)/t15?,16?,17?,18-,19-,22?/m0/s1","LDFLBXVUTJIWLT-DDNHJUOSSA-N",null,10000]
["D10512",32400,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50169047","CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O","InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1","HEFNNWSXXWATRW-JTQLQIEISA-N",null,">100000"]
["D10513",16724,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357905","CC(C)Cc1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O","InChI=1S/C17H16N2O4/c1-8(2)5-9-3-4-13-10(6-9)14(20)11-7-12(17(21)22)15(18)19-16(11)23-13/h3-4,6-8H,5H2,1-2H3,(H2,18,19)(H,21,22)","DGVDZGOAEAJWPC-UHFFFAOYSA-N",null,550]
["D10514",16580,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478503","CC(C)Cc1nc(-c2ccc3nc(Nc4cc(CN5CCN(CC5)C(=O)CC(F)(F)F)ccn4)[nH]c3c2)n(C)n1","InChI=1S/C27H32F3N9O/c1-17(2)12-23-34-25(37(3)36-23)19-4-5-20-21(14-19)33-26(32-20)35-22-13-18(6-7-31-22)16-38-8-10-39(11-9-38)24(40)15-27(28,29)30/h4-7,13-14,17H,8-12,15-16H2,1-3H3,(H2,31,32,33,35)","FNKSOJUAARLEDB-UHFFFAOYSA-N",null,397]
["D10515",16746,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478502","CC(C)Cc1nc(-c2ccc3nc(Nc4cc(CN5CCN(CC5)C(=O)OC(C)(C)C)ccn4)[nH]c3c2)n(C)n1","InChI=1S/C29H39N9O2/c1-19(2)15-25-33-26(36(6)35-25)21-7-8-22-23(17-21)32-27(31-22)34-24-16-20(9-10-30-24)18-37-11-13-38(14-12-37)28(39)40-29(3,4)5/h7-10,16-17,19H,11-15,18H2,1-6H3,(H2,30,31,32,34)","CEUBLFDZKJMWLX-UHFFFAOYSA-N",null,577]
["D10516",11888,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43036","CC(C)Cc1nc2sc3c(NCc4ccco4)ncnc3c2c2CC(C)(C)OCc12","InChI=1S/C23H26N4O2S/c1-13(2)8-17-16-11-29-23(3,4)9-15(16)18-19-20(30-22(18)27-17)21(26-12-25-19)24-10-14-6-5-7-28-14/h5-7,12-13H,8-11H2,1-4H3,(H,24,25,26)","MLDVKCPDKYABTP-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D10517",16317,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478361","CC(C)Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C27H32N8O2/c1-17(2)13-24-31-25(37-33-24)20-5-6-21-22(15-20)30-27(29-21)32-23-14-18(7-8-28-23)16-34-9-11-35(12-10-34)26(36)19-3-4-19/h5-8,14-15,17,19H,3-4,9-13,16H2,1-2H3,(H2,28,29,30,32)","CJRZSSRWWHNIQF-UHFFFAOYSA-N",null,154]
["D10518",15925,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50520149","CC(C)Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C26H29F3N8O2/c1-16(2)11-22-33-24(39-35-22)18-3-4-19-20(13-18)32-25(31-19)34-21-12-17(5-6-30-21)15-36-7-9-37(10-8-36)23(38)14-26(27,28)29/h3-6,12-13,16H,7-11,14-15H2,1-2H3,(H2,30,31,32,34)","UDQFLASTRAMKLW-UHFFFAOYSA-N",null,72]
["D10519",32110,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46403","CC(C)Cn1c(N)c(C(=O)CSc2ccccc2)c(=O)n(C)c1=O","InChI=1S/C17H21N3O3S/c1-11(2)9-20-15(18)14(16(22)19(3)17(20)23)13(21)10-24-12-7-5-4-6-8-12/h4-8,11H,9-10,18H2,1-3H3","LJFMBSRWXNSEBO-UHFFFAOYSA-N",null,">55700"]
["D10520",337,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226597","CC(C)Cn1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C12H22N4O2/c1-9(2)6-16-7-10(15-8-16)5-11(12(17)18)14-4-3-13/h7-9,11,14H,3-6,13H2,1-2H3,(H,17,18)/t11-/m0/s1","MLBDFQDXKAYTON-NSHDSACASA-N",100]
["D10521",13543,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19242594","CC(C)Cn1cnc(C[C@H](NCCN)C(O)=O)c2","InChI=1S/C12H22N4O2/c1-9(2)6-16-7-10(15-8-16)5-11(12(17)18)14-4-3-13/h7-9,11,14H,3-6,13H2,1-2H3,(H,17,18)/t11-/m0/s2","MLBDFQDXKAYTON-NSHDSACASA-N",-13737.0283212694,-97340.6240366859,33570.3036829126,{"$nulls":3},6.73723695429565]
["D10522",4099,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66986","CC(C)N(C(C)C)C(=O)CSc1ccc(cn1)S(=O)(=O)N1CCCCC1","InChI=1S/C18H29N3O3S2/c1-14(2)21(15(3)4)18(22)13-25-17-9-8-16(12-19-17)26(23,24)20-10-6-5-7-11-20/h8-9,12,14-15H,5-7,10-11,13H2,1-4H3","PDFHEIVWZDLOCF-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10523",14715,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478808","CC(C)N(C)c1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C29H35N9O/c1-19(2)36(3)27-16-24(31-18-32-27)22-6-7-23-25(15-22)34-29(33-23)35-26-14-20(8-9-30-26)17-37-10-12-38(13-11-37)28(39)21-4-5-21/h6-9,14-16,18-19,21H,4-5,10-13,17H2,1-3H3,(H2,30,33,34,35)","JEYMVHHXYJBYEM-UHFFFAOYSA-N",null,5]
["D10524",14780,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478807","CC(C)N(C)c1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C28H32F3N9O/c1-18(2)38(3)25-14-22(33-17-34-25)20-4-5-21-23(13-20)36-27(35-21)37-24-12-19(6-7-32-24)16-39-8-10-40(11-9-39)26(41)15-28(29,30)31/h4-7,12-14,17-18H,8-11,15-16H2,1-3H3,(H2,32,35,36,37)","GSIQAJXXBYHYQJ-UHFFFAOYSA-N",null,5.9]
["D10525",15184,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478806","CC(C)N(C)c1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C30H39N9O2/c1-20(2)37(6)27-17-24(32-19-33-27)22-7-8-23-25(16-22)35-28(34-23)36-26-15-21(9-10-31-26)18-38-11-13-39(14-12-38)29(40)41-30(3,4)5/h7-10,15-17,19-20H,11-14,18H2,1-6H3,(H2,31,34,35,36)","NAGVPEAMRQHDLZ-UHFFFAOYSA-N",null,14]
["D10526",12262,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM71109","CC(C)N(c1ccccc1)c1ccc(NC(=O)CCl)cc1","InChI=1S/C17H19ClN2O/c1-13(2)20(15-6-4-3-5-7-15)16-10-8-14(9-11-16)19-17(21)12-18/h3-11,13H,12H2,1-2H3,(H,19,21)","JTAXNZDNUBCRFI-UHFFFAOYSA-N",null,15589]
["D10527",22,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401911","CC(C)N1CCC(CC1)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C26H40N8O/c1-18(2)33-13-9-22(10-14-33)34-17-21(15-30-34)31-26-29-16-23(19-7-8-19)24(32-26)27-11-4-12-28-25(35)20-5-3-6-20/h15-20,22H,3-14H2,1-2H3,(H,28,35)(H2,27,29,31,32)","MJCWEXGCJMNQGR-UHFFFAOYSA-N",null,3000]
["D10528",15484,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245951","CC(C)N1CCN(CC(=O)Nc2ccc(Nc3nccc(n3)-c3cnc(N4CC[C@H](F)C4)c(c3)C#N)cn2)CC1","InChI=1S/C28H33FN10O/c1-19(2)38-11-9-37(10-12-38)18-26(40)36-25-4-3-23(16-32-25)34-28-31-7-5-24(35-28)21-13-20(14-30)27(33-15-21)39-8-6-22(29)17-39/h3-5,7,13,15-16,19,22H,6,8-12,17-18H2,1-2H3,(H,31,34,35)(H,32,36,40)/t22-/m0/s1","CTIVLKKKDOQMJC-QFIPXVFZSA-N",null,"<30",{"$nulls":4},7.5]
["D10529",12020,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43151","CC(C)N1CCN(Cc2ccc(Oc3ncccn3)cc2)CC1CCO","InChI=1S/C20H28N4O2/c1-16(2)24-12-11-23(15-18(24)8-13-25)14-17-4-6-19(7-5-17)26-20-21-9-3-10-22-20/h3-7,9-10,16,18,25H,8,11-15H2,1-2H3","GKJNVSMVTWGGQJ-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D10530",3736,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM39716","CC(C)N=c1scc(-c2ccco2)n1N=Cc1ccc(O)c(O)c1","InChI=1S/C17H17N3O3S/c1-11(2)19-17-20(13(10-24-17)16-4-3-7-23-16)18-9-12-5-6-14(21)15(22)8-12/h3-11,21-22H,1-2H3","AMRJMRWUBAZBKA-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10531",11974,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43107","CC(C)NC(=O)NC(=O)CSc1ccccc1F","InChI=1S/C12H15FN2O2S/c1-8(2)14-12(17)15-11(16)7-18-10-6-4-3-5-9(10)13/h3-6,8H,7H2,1-2H3,(H2,14,15,16,17)","XTOYIWRVZFGVQX-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D10532",16269,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397645","CC(C)NC(=O)[C@H](C)Nc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C21H24N6O2/c1-12(2)25-20(28)13(3)26-17-8-15(6-7-16(17)9-22)18-10-24-19(11-23-18)27-21(29)14-4-5-14/h6-8,10-14,26H,4-5H2,1-3H3,(H,25,28)(H,24,27,29)/t13-/m0/s1","DXVCKHVMEQDVIY-ZDUSSCGKSA-N",null,126]
["D10533",15886,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276874","CC(C)NC(=O)c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C23H24N4O3/c1-14(2)26-23(28)20-12-19-18(5-8-25-22(19)27-20)15-3-4-21(16(11-15)13-24)30-17-6-9-29-10-7-17/h3-5,8,11-12,14,17H,6-7,9-10H2,1-2H3,(H,25,27)(H,26,28)","ILQIMLNGGBJZNP-UHFFFAOYSA-N",null,63.8,{"$nulls":4},7]
["D10534",14492,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277824","CC(C)NC(=O)c1ccc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cc1","InChI=1S/C25H26N6O3/c1-16(2)29-24(32)17-3-6-20(7-4-17)30-25-28-15-27-23(31-25)18-5-8-22(19(13-18)14-26)34-21-9-11-33-12-10-21/h3-8,13,15-16,21H,9-12H2,1-2H3,(H,29,32)(H,27,28,30,31)","FFTJPMREKVKUKF-UHFFFAOYSA-N",null,3]
["D10535",14930,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277861","CC(C)NC(=O)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@@H]3CCN(C3)C(=O)CO)c(c2)C#N)cc1","InChI=1S/C26H27N7O4/c1-16(2)30-25(36)17-3-6-20(7-4-17)31-26-29-15-28-24(32-26)18-5-8-22(19(11-18)12-27)37-21-9-10-33(13-21)23(35)14-34/h3-8,11,15-16,21,34H,9-10,13-14H2,1-2H3,(H,30,36)(H,28,29,31,32)/t21-/m1/s1","XKQXMMZJRYXZOV-OAQYLSRUSA-N",null,8]
["D10536",15924,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277862","CC(C)NC(=O)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@@H]3CCNC3)c(c2)C#N)cc1","InChI=1S/C24H25N7O2/c1-15(2)29-23(32)16-3-6-19(7-4-16)30-24-28-14-27-22(31-24)17-5-8-21(18(11-17)12-25)33-20-9-10-26-13-20/h3-8,11,14-15,20,26H,9-10,13H2,1-2H3,(H,29,32)(H,27,28,30,31)/t20-/m1/s1","IFIYTVUHPORWKB-HXUWFJFHSA-N",null,72]
["D10537",4754,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM25762","CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1","InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3","ZBMZVLHSJCTVON-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10538",32062,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM37148","CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(CC2)c2cc(Cl)ccc2C)cc1","InChI=1S/C22H28ClN3O4S/c1-16(2)24-31(28,29)20-8-6-19(7-9-20)30-15-22(27)26-12-10-25(11-13-26)21-14-18(23)5-4-17(21)3/h4-9,14,16,24H,10-13,15H2,1-3H3","RTCFCSGOPTVXMC-UHFFFAOYSA-N",null,">55700"]
["D10539",15552,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478811","CC(C)Nc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C28H33N9O/c1-18(2)32-26-15-23(30-17-31-26)21-5-6-22-24(14-21)34-28(33-22)35-25-13-19(7-8-29-25)16-36-9-11-37(12-10-36)27(38)20-3-4-20/h5-8,13-15,17-18,20H,3-4,9-12,16H2,1-2H3,(H,30,31,32)(H2,29,33,34,35)","UVTRBCLHAUFAMV-UHFFFAOYSA-N",null,1.4]
["D10540",14545,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478810","CC(C)Nc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C27H30F3N9O/c1-17(2)34-24-13-21(32-16-33-24)19-3-4-20-22(12-19)36-26(35-20)37-23-11-18(5-6-31-23)15-38-7-9-39(10-8-38)25(40)14-27(28,29)30/h3-6,11-13,16-17H,7-10,14-15H2,1-2H3,(H,32,33,34)(H2,31,35,36,37)","RBCXGKOXMCORIO-UHFFFAOYSA-N",null,3.3]
["D10541",14668,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478809","CC(C)Nc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C29H37N9O2/c1-19(2)33-26-16-23(31-18-32-26)21-6-7-22-24(15-21)35-27(34-22)36-25-14-20(8-9-30-25)17-37-10-12-38(13-11-37)28(39)40-29(3,4)5/h6-9,14-16,18-19H,10-13,17H2,1-5H3,(H,31,32,33)(H2,30,34,35,36)","NEPAFONVQAJIIZ-UHFFFAOYSA-N",null,4.2]
["D10542",15313,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478919","CC(C)Nc1ncnc(-c2ccc3nc(Nc4cc(CN5CCN(CC5)C(=O)C5CC5)ccn4)[nH]c3c2)c1F","InChI=1S/C28H32FN9O/c1-17(2)33-26-24(29)25(31-16-32-26)20-5-6-21-22(14-20)35-28(34-21)36-23-13-18(7-8-30-23)15-37-9-11-38(12-10-37)27(39)19-3-4-19/h5-8,13-14,16-17,19H,3-4,9-12,15H2,1-2H3,(H,31,32,33)(H2,30,34,35,36)","SGCLULQSVCEJSM-UHFFFAOYSA-N",null,17.8]
["D10543",15681,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478918","CC(C)Nc1ncnc(-c2ccc3nc(Nc4cc(CN5CCN(CC5)C(=O)CC(F)(F)F)ccn4)[nH]c3c2)c1F","InChI=1S/C27H29F4N9O/c1-16(2)35-25-23(28)24(33-15-34-25)18-3-4-19-20(12-18)37-26(36-19)38-21-11-17(5-6-32-21)14-39-7-9-40(10-8-39)22(41)13-27(29,30)31/h3-6,11-12,15-16H,7-10,13-14H2,1-2H3,(H,33,34,35)(H2,32,36,37,38)","CHSJNKBKKUPDHB-UHFFFAOYSA-N",null,34.6]
["D10544",15751,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478917","CC(C)Nc1ncnc(-c2ccc3nc(Nc4cc(CN5CCN(CC5)C(=O)OC(C)(C)C)ccn4)[nH]c3c2)c1F","InChI=1S/C29H36FN9O2/c1-18(2)34-26-24(30)25(32-17-33-26)20-6-7-21-22(15-20)36-27(35-21)37-23-14-19(8-9-31-23)16-38-10-12-39(13-11-38)28(40)41-29(3,4)5/h6-9,14-15,17-18H,10-13,16H2,1-5H3,(H,32,33,34)(H2,31,35,36,37)","BVOCZNUHFCTVLJ-UHFFFAOYSA-N",null,42.1]
["D10545",3750,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66368","CC(C)OC(=O)CN1C(=O)S\\C(=C\\c2ccc(o2)N2CCCCC2)C1=O","InChI=1S/C18H22N2O5S/c1-12(2)24-16(21)11-20-17(22)14(26-18(20)23)10-13-6-7-15(25-13)19-8-4-3-5-9-19/h6-7,10,12H,3-5,8-9,11H2,1-2H3/b14-10+","JHPMBWLTCFAJSC-GXDHUFHOSA-N",{"$nulls":3},">350000"]
["D10546",11829,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42982","CC(C)OC(=O)CSc1nc2cc3OCOc3cc2cc1C#N","InChI=1S/C16H14N2O4S/c1-9(2)22-15(19)7-23-16-11(6-17)3-10-4-13-14(21-8-20-13)5-12(10)18-16/h3-5,9H,7-8H2,1-2H3","JQGRFEXKKGQFJN-UHFFFAOYSA-N",{"$nulls":3},18260]
["D10547",4317,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66415","CC(C)OC(=O)c1c(NC(=O)\\C=C\\c2ccc(C)o2)sc(C)c1C","InChI=1S/C18H21NO4S/c1-10(2)22-18(21)16-12(4)13(5)24-17(16)19-15(20)9-8-14-7-6-11(3)23-14/h6-10H,1-5H3,(H,19,20)/b9-8+","JJNNCBJYWSPDGU-CMDGGOBGSA-N",{"$nulls":3},">350000"]
["D10548",18016,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570001","CC(C)OC1(COC1)c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D10549",17984,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570058","CC(C)OCC1(C)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(C(C)C)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D10550",17983,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570057","CC(C)OCC1(C)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(Cl)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D10551",5058,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50547309","CC(C)Oc1cc(F)cc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N","InChI=1S/C23H22F2N4O/c1-15(2)30-21-12-17(24)11-18-22(21)27-14-16(13-26)23(18)29-9-7-28(8-10-29)20-6-4-3-5-19(20)25/h3-6,11-12,14-15H,7-10H2,1-2H3","URGDPHSQVLSJCM-UHFFFAOYSA-N",{"$nulls":3},690]
["D10552",17956,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569941","CC(C)Oc1cc(ccc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NC(C)C(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D10553",17929,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569912","CC(C)Oc1cc(ccc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D10554",14954,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478828","CC(C)Oc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C28H32N8O2/c1-18(2)38-26-15-23(30-17-31-26)21-5-6-22-24(14-21)33-28(32-22)34-25-13-19(7-8-29-25)16-35-9-11-36(12-10-35)27(37)20-3-4-20/h5-8,13-15,17-18,20H,3-4,9-12,16H2,1-2H3,(H2,29,32,33,34)","ZTBHTRNLQKVPIG-UHFFFAOYSA-N",null,8.5]
["D10555",15160,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478827","CC(C)Oc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C27H29F3N8O2/c1-17(2)40-24-13-21(32-16-33-24)19-3-4-20-22(12-19)35-26(34-20)36-23-11-18(5-6-31-23)15-37-7-9-38(10-8-37)25(39)14-27(28,29)30/h3-6,11-13,16-17H,7-10,14-15H2,1-2H3,(H2,31,34,35,36)","HLJJYGGBEZUVNO-UHFFFAOYSA-N",null,13]
["D10556",15891,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478826","CC(C)Oc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C29H36N8O3/c1-19(2)39-26-16-23(31-18-32-26)21-6-7-22-24(15-21)34-27(33-22)35-25-14-20(8-9-30-25)17-36-10-12-37(13-11-36)28(38)40-29(3,4)5/h6-9,14-16,18-19H,10-13,17H2,1-5H3,(H2,30,33,34,35)","UAAVNFOUMROMDX-UHFFFAOYSA-N",null,64]
["D10557",4910,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50305871","CC(C)Oc1ccc(cc1)-c1cc2onc(-c3ccccc3)c2c(=O)n1C","InChI=1S/C22H20N2O3/c1-14(2)26-17-11-9-15(10-12-17)18-13-19-20(22(25)24(18)3)21(23-27-19)16-7-5-4-6-8-16/h4-14H,1-3H3","ABROVZYHTDQYCK-UHFFFAOYSA-N",null,">10000"]
["D10558",4108,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66995","CC(C)Oc1ccc(cc1)C(=O)OCC(=O)NC1CCCCCC1","InChI=1S/C19H27NO4/c1-14(2)24-17-11-9-15(10-12-17)19(22)23-13-18(21)20-16-7-5-3-4-6-8-16/h9-12,14,16H,3-8,13H2,1-2H3,(H,20,21)","IWCOTUSRCAXMJX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10559",17808,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569902","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NC(C)(C)C(C)(C)O4)cc3F)c12","InChI=1S/C30H29F2N5O3/c1-16(2)38-23-8-7-17(11-18(23)14-33)20-15-35-27-25(20)24(9-10-34-27)39-26-21(31)12-19(13-22(26)32)36-28-37-29(3,4)30(5,6)40-28/h7-13,15-16H,1-6H3,(H,34,35)(H,36,37)","GPDORULATVPJFW-UHFFFAOYSA-N",null,">20000"]
["D10560",17803,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569897","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NC(C)C(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D10561",17806,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569900","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NC(CO)(CO4)C(N)=O)cc3F)c12",{"$nulls":3},">20000"]
["D10562",17804,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569898","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NC(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D10563",17853,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569962","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(C)CO4)cc3F)c12","InChI=1S/C29H27F2N5O3/c1-16(2)38-23-6-5-17(9-18(23)12-32)20-13-34-27-25(20)24(7-8-33-27)39-26-21(30)10-19(11-22(26)31)36-28-35-14-29(3,4)15-37-28/h5-11,13,16H,14-15H2,1-4H3,(H,33,34)(H,35,36)","ZQVBLHMKOLPPFW-UHFFFAOYSA-N",null,">20000"]
["D10564",16615,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569864","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},450]
["D10565",17810,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569904","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(CC5CC5)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D10566",17890,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569871","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(CO)(CO4)C#N)cc3F)c12",{"$nulls":3},">20000"]
["D10567",17892,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569873","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(CO)(CO4)C(C)C)cc3F)c12",{"$nulls":3},">20000"]
["D10568",17891,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569872","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(CO)(CO4)C(F)F)cc3F)c12",{"$nulls":3},">20000"]
["D10569",17805,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569899","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(CO)(CO4)c4ccccc4)cc3F)c12",{"$nulls":3},">20000"]
["D10570",17925,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569907","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(CO4)C(F)(F)F)cc3F)c12",{"$nulls":3},">20000"]
["D10571",17811,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569905","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(CO4)C4CC4)cc3F)c12",{"$nulls":3},">20000"]
["D10572",17812,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569906","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(Cc5ccccc5)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D10573",17926,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569908","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(Cc5cccnc5)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D10574",17809,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569903","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(Cc5ccncc5)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D10575",17927,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569909","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(Cc5cnn(C)c5)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D10576",17005,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569874","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(F)(CO)CO4)cc3F)c12",{"$nulls":3},1300]
["D10577",17854,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569963","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(F)(F)CO4)cc3F)c12","InChI=1S/C27H21F4N5O3/c1-14(2)38-21-4-3-15(7-16(21)10-32)18-11-34-25-23(18)22(5-6-33-25)39-24-19(28)8-17(9-20(24)29)36-26-35-12-27(30,31)13-37-26/h3-9,11,14H,12-13H2,1-2H3,(H,33,34)(H,35,36)","FFNFWPNECNRHDZ-UHFFFAOYSA-N",null,">20000"]
["D10578",17480,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569956","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(O)(CO)CO4)cc3F)c12",{"$nulls":3},4000]
["D10579",17802,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569896","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(O4)C(C)(C)CO)cc3F)c12",{"$nulls":3},">20000"]
["D10580",17125,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569961","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC5(CC5)CO4)cc3F)c12","InChI=1S/C29H25F2N5O3/c1-16(2)38-23-4-3-17(9-18(23)12-32)20-13-34-27-25(20)24(5-8-33-27)39-26-21(30)10-19(11-22(26)31)36-28-35-14-29(6-7-29)15-37-28/h3-5,8-11,13,16H,6-7,14-15H2,1-2H3,(H,33,34)(H,35,36)","XXEMVDXNIHRGPG-UHFFFAOYSA-N",null,2000]
["D10581",17851,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569960","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCCCO4)cc3F)c12","InChI=1S/C27H23F2N5O3/c1-15(2)36-22-5-4-16(10-17(22)13-30)19-14-33-26-24(19)23(6-8-31-26)37-25-20(28)11-18(12-21(25)29)34-27-32-7-3-9-35-27/h4-6,8,10-12,14-15H,3,7,9H2,1-2H3,(H,31,33)(H,32,34)","ATHHYKGGJXXJCB-UHFFFAOYSA-N",null,">20000"]
["D10582",17849,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569958","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NC[C@@](F)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D10583",17850,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569959","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NC[C@](F)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D10584",17775,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569892","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3ccc(NC4=NC(C)C(CO)CO4)cc3C(F)(F)F)c12",{"$nulls":3},18100]
["D10585",17799,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569891","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3ccc(NC4=NC(CO)CO4)cc3C(F)(F)F)c12",{"$nulls":3},">20000"]
["D10586",17801,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569895","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3ccc(NC4=NCC(C)(C)CO4)cc3C(F)(F)F)c12","InChI=1S/C30H28F3N5O3/c1-17(2)40-23-7-5-18(11-19(23)13-34)21-14-36-27-26(21)25(9-10-35-27)41-24-8-6-20(12-22(24)30(31,32)33)38-28-37-15-29(3,4)16-39-28/h5-12,14,17H,15-16H2,1-4H3,(H,35,36)(H,37,38)","ZBIFKVFNKKBQMC-UHFFFAOYSA-N",null,">20000"]
["D10587",17699,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569889","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3ccc(NC4=NCC(C)(CO)CO4)cc3C(F)(F)F)c12",{"$nulls":3},14900]
["D10588",17798,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569890","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3ccc(NC4=NCC(CO)(CO4)C#N)cc3C(F)(F)F)c12",{"$nulls":3},">20000"]
["D10589",17796,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569887","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3ccc(NC4=NCC(CO)(CO4)c4ccccc4)cc3C(F)(F)F)c12",{"$nulls":3},">20000"]
["D10590",17797,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569888","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3ccc(NC4=NCC(F)(CO)CO4)cc3C(F)(F)F)c12",{"$nulls":3},">20000"]
["D10591",17800,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569894","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3ccc(NC4=NCC5(CC5)CO4)cc3C(F)(F)F)c12","InChI=1S/C30H26F3N5O3/c1-17(2)40-23-5-3-18(11-19(23)13-34)21-14-36-27-26(21)25(7-10-35-27)41-24-6-4-20(12-22(24)30(31,32)33)38-28-37-15-29(8-9-29)16-39-28/h3-7,10-12,14,17H,8-9,15-16H2,1-2H3,(H,35,36)(H,37,38)","ILRYUFGYONMSOH-UHFFFAOYSA-N",null,">20000"]
["D10592",17706,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569893","CC(C)Oc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3ccc(NC4=NCCCO4)cc3C(F)(F)F)c12","InChI=1S/C28H24F3N5O3/c1-16(2)38-22-6-4-17(12-18(22)14-32)20-15-35-26-25(20)24(8-10-33-26)39-23-7-5-19(13-21(23)28(29,30)31)36-27-34-9-3-11-37-27/h4-8,10,12-13,15-16H,3,9,11H2,1-2H3,(H,33,35)(H,34,36)","BXCLCVYZWMVLOH-UHFFFAOYSA-N",null,15500]
["D10593",15860,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276885","CC(C)Oc1ccc(cc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C27H26N4O2/c1-18(2)33-26-8-5-20(15-21(26)17-28)23-9-10-29-27-24(23)16-25(30-27)19-3-6-22(7-4-19)31-11-13-32-14-12-31/h3-10,15-16,18H,11-14H2,1-2H3,(H,29,30)","NXWXQZYXKVOQFX-UHFFFAOYSA-N",null,59.3,{"$nulls":4},7]
["D10594",17960,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569945","CC(C)Oc1cccc(-c2c[nH]c3nccc(Oc4c(F)cc(NC5=NCC(C)(CO)CO5)cc4F)c23)c1F",{"$nulls":3},">20000"]
["D10595",3609,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565054","CC(C)Oc1cccc(C2CCc3c(C2)cnn(-c2ncccn2)c3=O)c1C","InChI=1S/C22H24N4O2/c1-14(2)28-20-7-4-6-18(15(20)3)16-8-9-19-17(12-16)13-25-26(21(19)27)22-23-10-5-11-24-22/h4-7,10-11,13-14,16H,8-9,12H2,1-3H3","MPMRJVUAHJBKET-UHFFFAOYSA-N",null,15500]
["D10596",17897,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569878","CC(C)Oc1cccc(F)c1-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D10597",17965,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570039","CC(C)Oc1cccc(F)c1-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(F)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D10598",5057,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50547308","CC(C)Oc1cccc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N","InChI=1S/C23H23FN4O/c1-16(2)29-21-9-5-6-18-22(21)26-15-17(14-25)23(18)28-12-10-27(11-13-28)20-8-4-3-7-19(20)24/h3-9,15-16H,10-13H2,1-2H3","WEBXONZQIONYBK-UHFFFAOYSA-N",{"$nulls":3},1250]
["D10599",25825,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246333","CC(C)Oc1ccccc1-n1nc(OC2CCN(CC2)S(=O)(=O)C(C)C)cc1-c1ccc(Cl)cc1","InChI=1S/C26H32ClN3O4S/c1-18(2)33-25-8-6-5-7-23(25)30-24(20-9-11-21(27)12-10-20)17-26(28-30)34-22-13-15-29(16-14-22)35(31,32)19(3)4/h5-12,17-19,22H,13-16H2,1-4H3","RIAAESBLPRZGAK-UHFFFAOYSA-N",null,7]
["D10600",25841,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246326","CC(C)Oc1ccccc1-n1nc(OC2CCN(CC2)S(C)(=O)=O)cc1-c1ccc(Cl)cc1","InChI=1S/C24H28ClN3O4S/c1-17(2)31-23-7-5-4-6-21(23)28-22(18-8-10-19(25)11-9-18)16-24(26-28)32-20-12-14-27(15-13-20)33(3,29)30/h4-11,16-17,20H,12-15H2,1-3H3","CLSLOWKHEUDMRP-UHFFFAOYSA-N",null,21.5]
["D10601",4600,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66550","CC(C)Oc1ccccc1C(=O)NC(CO)C(O)=O","InChI=1S/C13H17NO5/c1-8(2)19-11-6-4-3-5-9(11)12(16)14-10(7-15)13(17)18/h3-6,8,10,15H,7H2,1-2H3,(H,14,16)(H,17,18)","MUJFRZPEOVSUJB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10602",14894,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478301","CC(C)Oc1cnccc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C29H33N7O2/c1-19(2)38-26-17-30-9-8-23(26)22-5-6-24-25(16-22)33-29(32-24)34-27-15-20(7-10-31-27)18-35-11-13-36(14-12-35)28(37)21-3-4-21/h5-10,15-17,19,21H,3-4,11-14,18H2,1-2H3,(H2,31,32,33,34)","XVPJVWMMGZYLCQ-UHFFFAOYSA-N",null,7.12]
["D10603",14674,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478300","CC(C)Oc1cnccc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C28H30F3N7O2/c1-18(2)40-24-16-32-7-6-21(24)20-3-4-22-23(14-20)35-27(34-22)36-25-13-19(5-8-33-25)17-37-9-11-38(12-10-37)26(39)15-28(29,30)31/h3-8,13-14,16,18H,9-12,15,17H2,1-2H3,(H2,33,34,35,36)","OSIFMCXIJPYUEQ-UHFFFAOYSA-N",null,4.31]
["D10604",14946,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478302","CC(C)Oc1cnccc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC4CC4)ccn3)[nH]c2c1","InChI=1S/C30H35N7O2/c1-20(2)39-27-18-31-9-8-24(27)23-5-6-25-26(17-23)34-30(33-25)35-28-15-22(7-10-32-28)19-36-11-13-37(14-12-36)29(38)16-21-3-4-21/h5-10,15,17-18,20-21H,3-4,11-14,16,19H2,1-2H3,(H2,32,33,34,35)","ASSIRQRLEBZOGR-UHFFFAOYSA-N",null,8.26]
["D10605",17754,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478483","CC(C)Oc1cncnc1-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)C3CC3)[nH]c2c1",{"$nulls":3},2.13]
["D10606",18283,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478484","CC(C)Oc1cncnc1-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)C3CCC3)[nH]c2c1",{"$nulls":3},2.5]
["D10607",16110,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478482","CC(C)Oc1cncnc1-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)CC(F)(F)F)[nH]c2c1",{"$nulls":3},1.96]
["D10608",15804,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50520159","CC(C)Oc1cncnc1-c1ccc2nc(Nc3cc(ccn3)[C@@H](C)N3CCN(CC3)C(=O)CC(F)(F)F)[nH]c2c1","InChI=1S/C28H31F3N8O2/c1-17(2)41-23-15-32-16-34-26(23)20-4-5-21-22(12-20)36-27(35-21)37-24-13-19(6-7-33-24)18(3)38-8-10-39(11-9-38)25(40)14-28(29,30)31/h4-7,12-13,15-18H,8-11,14H2,1-3H3,(H2,33,35,36,37)/t18-/m1/s1","CLYZLUAUBTXCPL-GOSISDBHSA-N",null,50]
["D10609",17409,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478313","CC(C)Oc1nccc(-c2ccc3nc(Nc4cc(CN5CCN(CC5)C(=O)C5CC5)ccn4)[nH]c3c2)c1C","InChI=1S/C30H35N7O2/c1-19(2)39-28-20(3)24(9-11-32-28)23-6-7-25-26(17-23)34-30(33-25)35-27-16-21(8-10-31-27)18-36-12-14-37(15-13-36)29(38)22-4-5-22/h6-11,16-17,19,22H,4-5,12-15,18H2,1-3H3,(H2,31,33,34,35)","NGTITKMURJAQMB-UHFFFAOYSA-N",null,3610]
["D10610",605,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089699","CC(C)[C@@H](C)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C21H40N4O4/c1-14(2)15(3)23-19(26)18(13-16-9-5-4-6-10-16)25-21(29)24-17(20(27)28)11-7-8-12-22/h14-18H,4-13,22H2,1-3H3,(H,23,26)(H,27,28)(H2,24,25,29)/t15-,17+,18-/m1/s1","PGKTWPKLTNYPMW-BPQIPLTHSA-N",null,390]
["D10611",25937,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Signal transducer and transcription activator 6","Mus musculus","BDBM50401026","CC(C)[C@@H](C)NC(=O)c1cc(cc(n1)C(=O)NCCc1ccccn1)-c1cc2ccccc2n1C","InChI=1S/C28H31N5O2/c1-18(2)19(3)31-28(35)24-16-21(26-17-20-9-5-6-11-25(20)33(26)4)15-23(32-24)27(34)30-14-12-22-10-7-8-13-29-22/h5-11,13,15-19H,12,14H2,1-4H3,(H,30,34)(H,31,35)/t19-/m1/s1","NQCIABFWMPKOJV-LJQANCHMSA-N",null,2740]
["D10612",613,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089744","CC(C)[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC1CC2(C)CCC1C2(C)C","InChI=1S/C22H40N4O4/c1-13(2)17(26-20(30)25-15(19(28)29)8-6-7-11-23)18(27)24-16-12-22(5)10-9-14(16)21(22,3)4/h13-17H,6-12,23H2,1-5H3,(H,24,27)(H,28,29)(H2,25,26,30)/t14?,15-,16?,17+,22?/m0/s1","VRXVYEBSAQCPLH-CTUUPLLYSA-N",null,460]
["D10613",16302,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278243","CC(C)[C@@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C33H39FN8O4/c1-21(2)30(43)32(44)42-10-9-29(27(34)17-42)46-28-8-3-22(15-23(28)16-35)31-36-20-37-33(39-31)38-24-4-6-25(7-5-24)40-11-13-41(14-12-40)26-18-45-19-26/h3-8,15,20-21,26-27,29-30,43H,9-14,17-19H2,1-2H3,(H,36,37,38,39)/t27-,29+,30-/m1/s1","UIAOZACQTYLTEA-CCNCKIRNSA-N",null,146]
["D10614",373,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089686","CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C41H60N8O9/c1-25(2)34-38(54)44-31(21-18-27-16-19-29(50)20-17-27)39(55)49(4)26(3)35(51)45-33(24-28-12-6-5-7-13-28)36(52)43-23-11-9-14-30(37(53)48-34)46-41(58)47-32(40(56)57)15-8-10-22-42/h5-7,12-13,16-17,19-20,25-26,30-34,50H,8-11,14-15,18,21-24,42H2,1-4H3,(H,43,52)(H,44,54)(H,45,51)(H,48,53)(H,56,57)(H2,46,47,58)/t26-,30+,31-,32-,33-,34-/m0/s1","VNOIUJQJSYNRHB-NCUXDPMLSA-N",null,1.9]
["D10615",370,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089688","CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](CCCNC(N)=N)C(O)=O","InChI=1S/C41H60N10O9/c1-24(2)33-37(56)46-30(20-17-26-15-18-28(52)19-16-26)38(57)51(4)25(3)34(53)47-32(23-27-11-6-5-7-12-27)35(54)44-21-9-8-13-29(36(55)50-33)48-41(60)49-31(39(58)59)14-10-22-45-40(42)43/h5-7,11-12,15-16,18-19,24-25,29-33,52H,8-10,13-14,17,20-23H2,1-4H3,(H,44,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H4,42,43,45)(H2,48,49,60)/t25-,29+,30-,31-,32-,33-/m0/s1","ZDOVFDLIJJGVQM-APNXPRSCSA-N",null,1.5]
["D10616",521,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50547477","CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)c2coc1n2)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C21H34N6O6/c1-12(2)16-19-24-15(11-33-19)17(28)23-10-6-4-7-13(18(29)27-16)25-21(32)26-14(20(30)31)8-3-5-9-22/h11-14,16H,3-10,22H2,1-2H3,(H,23,28)(H,27,29)(H,30,31)(H2,25,26,32)/t13-,14+,16+/m1/s1","IVSZWCXUYIMPML-YCPHGPKFSA-N",null,42]
["D10617",435,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50547476","CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)c2csc1n2)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C21H34N6O5S/c1-12(2)16-19-24-15(11-33-19)17(28)23-10-6-4-7-13(18(29)27-16)25-21(32)26-14(20(30)31)8-3-5-9-22/h11-14,16H,3-10,22H2,1-2H3,(H,23,28)(H,27,29)(H,30,31)(H2,25,26,32)/t13-,14+,16+/m1/s1","ZCHNTIJYUMFUTH-YCPHGPKFSA-N",null,10]
["D10618",528,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50547478","CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccc(NC(=O)c3coc1n3)cc2)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C24H32N6O6/c1-13(2)19-22-27-18(12-36-22)21(32)26-15-8-6-14(7-9-15)11-17(20(31)30-19)29-24(35)28-16(23(33)34)5-3-4-10-25/h6-9,12-13,16-17,19H,3-5,10-11,25H2,1-2H3,(H,26,32)(H,30,31)(H,33,34)(H2,28,29,35)/t16-,17+,19-/m0/s1","YGCAFIQDVRSRNM-SCTDSRPQSA-N",null,52]
["D10619",18590,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Oryctolagus cuniculus","BDM50016402","CC(C)[C@@]1(O)[C@@H](O)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)C(=C)CC[C@]35O)[C@@]2(O)[C@]14C","InChI=1S/C20H30O8/c1-9(2)17(25)12(22)18(26)13(4)8-16(24)14(17,5)20(18,27)19(28-16)11(21)10(3)6-7-15(13,19)23/h9,11-12,21-27H,3,6-8H2,1-2,4-5H3/t11-,12-,13+,14-,15+,16+,17-,18-,19-,20-/m1/s1","VMZSULUKHWFTRZ-VQOFSOFOSA-N",null,10000]
["D10620",18593,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Oryctolagus cuniculus","BDM50016415","CC(C)[C@@]1(O)[C@@H](O)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@]14C","InChI=1S/C20H32O8/c1-9(2)17(25)12(22)18(26)13(4)8-16(24)14(17,5)20(18,27)19(28-16)11(21)10(3)6-7-15(13,19)23/h9-12,21-27H,6-8H2,1-5H3/t10-,11+,12+,13-,14+,15-,16-,17+,18+,19+,20+/m0/s1","POSDEVOSMOCDHR-AGRCMGMNSA-N",null,35000]
["D10621",18589,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Oryctolagus cuniculus","BDM50016420","CC(C)[C@@]1(O)[C@@H](OC(=O)c2[nH]c(Br)c(Br)c2Br)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@]14C","InChI=1S/C25H32Br3NO9/c1-9(2)22(34)17(37-16(31)13-11(26)12(27)15(28)29-13)23(35)18(4)8-21(33)19(22,5)25(23,36)24(38-21)14(30)10(3)6-7-20(18,24)32/h9-10,14,17,29-30,32-36H,6-8H2,1-5H3/t10-,14+,17+,18-,19+,20-,21-,22+,23+,24+,25+/m0/s1","BQSPTYKMBASMDW-SRFRPZSBSA-N",null,">10000"]
["D10622",14351,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 3","Mus musculus","BDM50044994","CC(C)[C@@]1(O)[C@@H](OC(=O)c2cc[nH]c2)[C@@]2(O)[C@]3(C)C[C@@]4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@]14C","InChI=1S/C25H35NO9/c1-12(2)22(31)17(34-16(28)14-7-9-26-10-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)6-8-20(18,24)29/h7,9-10,12-13,15,17,26-27,29-33H,6,8,11H2,1-5H3/t13-,15+,17+,18+,19-,20-,21+,22+,23+,24+,25+/m0/s1","URVDQZDQPQVIGE-ZORYXUITSA-N",null,3.3]
["D10623",18587,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Oryctolagus cuniculus","BDM50016414","CC(C)[C@@]1(O)[C@@H](OC(=O)c2ccc[nH]2)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5(C(=O)C(C)=CC[C@]35O)[C@@]2(O)[C@]14C","InChI=1S/C25H31NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-8,10,12,17,26,29-33H,9,11H2,1-5H3/t17-,18+,19-,20+,21+,22-,23-,24-,25-/m1/s1","FJBQJGVCHRSEIM-IBCDIFFKSA-N",null,7300]
["D10624",18574,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Oryctolagus cuniculus","BDM50016418","CC(C)[C@@]1(O)[C@@H](OC(=O)c2ccc[nH]2)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5(C(=O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@]14C","InChI=1S/C25H33NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-7,10,12-13,17,26,29-33H,8-9,11H2,1-5H3/t13-,17+,18-,19+,20-,21-,22+,23+,24+,25+/m0/s1","LMLOQSQZHLCDQN-JYLFLJNKSA-N",null,100]
["D10625",18569,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Oryctolagus cuniculus","BDM50016403","CC(C)[C@@]1(O)[C@@H](OC(=O)c2ccc[nH]2)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)C(=C)CC[C@]35O)[C@@]2(O)[C@]14C","InChI=1S/C25H33NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-7,10,12,15,17,26-27,29-33H,3,8-9,11H2,1-2,4-5H3/t15-,17-,18+,19-,20+,21+,22-,23-,24-,25-/m1/s1","BPFNBBLVUYSFRK-XNEQJHRHSA-N",null,13]
["D10626",18576,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Oryctolagus cuniculus","BDM50016411","CC(C)[C@@]1(O)[C@@H](OC(=O)c2ccc[nH]2)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)C6(CO6)CC[C@]35O)[C@@]2(O)[C@]14C","InChI=1S/C25H33NO10/c1-12(2)22(31)16(35-14(27)13-6-5-9-26-13)23(32)17(3)10-21(30)18(22,4)25(23,33)24(36-21)15(28)19(11-34-19)7-8-20(17,24)29/h5-6,9,12,15-16,26,28-33H,7-8,10-11H2,1-4H3/t15-,16-,17+,18-,19?,20+,21+,22-,23-,24-,25-/m1/s1","BLFWHBSHUQXUKD-SJDYKOIUSA-N",null,140]
["D10627",18570,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Oryctolagus cuniculus","BDM50016410","CC(C)[C@@]1(O)[C@@H](OC(=O)c2ccc[nH]2)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)[C@H](C)CC[C@]35O)[C@@]2(O)[C@]14C","InChI=1S/C25H35NO10/c1-12-7-8-20(30)18(3)11-21(31)19(4)22(32,13(2)10-27)17(35-16(29)14-6-5-9-26-14)23(18,33)25(19,34)24(20,36-21)15(12)28/h5-6,9,12-13,15,17,26-28,30-34H,7-8,10-11H2,1-4H3/t12-,13?,15+,17+,18-,19+,20-,21-,22+,23+,24+,25+/m0/s1","KIFLYJJBQSTPLB-KYEHZBLFSA-N",null,41]
["D10628",18586,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Oryctolagus cuniculus","BDM50016404","CC(C)[C@@]1(O)[C@@H](OC(=O)c2ccc[nH]2)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)[C@](O)(CO)CC[C@]35O)[C@@]2(O)[C@]14C","InChI=1S/C25H35NO11/c1-12(2)22(33)16(36-14(28)13-6-5-9-26-13)23(34)17(3)10-21(32)18(22,4)25(23,35)24(37-21)15(29)19(30,11-27)7-8-20(17,24)31/h5-6,9,12,15-16,26-27,29-35H,7-8,10-11H2,1-4H3/t15-,16-,17+,18-,19-,20+,21+,22-,23-,24-,25-/m1/s1","DHVVNSKDLZXOQU-RTZSGNFDSA-N",null,4900]
["D10629",18577,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Oryctolagus cuniculus","BDM50016416","CC(C)[C@@]1(O)[C@@H](OC(=O)c2ccc[nH]2)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](OC(C)=O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@]14C","InChI=1S/C27H37NO10/c1-13(2)24(33)19(37-18(30)16-8-7-11-28-16)25(34)20(5)12-23(32)21(24,6)27(25,35)26(38-23)17(36-15(4)29)14(3)9-10-22(20,26)31/h7-8,11,13-14,17,19,28,31-35H,9-10,12H2,1-6H3/t14-,17+,19+,20-,21+,22-,23-,24+,25+,26+,27+/m0/s1","SIFPVNXOZYSVDL-LKARLKDLSA-N",null,140]
["D10630",18580,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Oryctolagus cuniculus","BDM50016417","CC(C)[C@@]1(O)[C@@H](OC(=O)c2cccn2Cc2ccccc2)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@]14C","InChI=1S/C32H41NO9/c1-18(2)29(38)24(41-23(35)21-12-9-15-33(21)16-20-10-7-6-8-11-20)30(39)25(4)17-28(37)26(29,5)32(30,40)31(42-28)22(34)19(3)13-14-27(25,31)36/h6-12,15,18-19,22,24,34,36-40H,13-14,16-17H2,1-5H3/t19-,22+,24+,25-,26+,27-,28-,29+,30+,31+,32+/m0/s1","PNCIZCMFUPZHTM-DWCPDBHISA-N",null,310]
["D10631",25788,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Valyl-tRNA synthetase 2","Homo sapiens","BDBM50093001","CC(C)[C@H](N)C(=O)NS(=O)(=O)CC(=O)N[C@]1([C@@H](O)C[C@@H]2[C@H]1CN(C)C=C2C(N)=O)C(O)=O","InChI=1S/C18H29N5O8S/c1-8(2)14(19)16(27)22-32(30,31)7-13(25)21-18(17(28)29)11-6-23(3)5-10(15(20)26)9(11)4-12(18)24/h5,8-9,11-12,14,24H,4,6-7,19H2,1-3H3,(H2,20,26)(H,21,25)(H,22,27)(H,28,29)/t9-,11+,12-,14-,18+/m0/s1","XQLMQZYDYIYOIJ-JTWKAETMSA-N",null,30]
["D10632",402,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395728","CC(C)[C@H](NC(=O)CCc1ccccc1)P(O)(=O)C[C@@H](CCCCCN)C(O)=O","InChI=1S/C21H35N2O5P/c1-16(2)20(23-19(24)13-12-17-9-5-3-6-10-17)29(27,28)15-18(21(25)26)11-7-4-8-14-22/h3,5-6,9-10,16,18,20H,4,7-8,11-15,22H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/t18-,20-/m1/s1","DEWOTLFUKYSXIE-UYAOXDASSA-N",null,5.5]
["D10633",12375,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42903","CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(F)c2)o1","InChI=1S/C18H24FN3O3S/c1-11(2)14(20-16(23)25-18(3,4)5)15-21-22-17(24-15)26-10-12-7-6-8-13(19)9-12/h6-9,11,14H,10H2,1-5H3,(H,20,23)/t14-/m0/s1","YVLKCSHDPMZLOO-AWEZNQCLSA-N",{"$nulls":3},16880]
["D10634",18510,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50014736","CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)C(F)(F)F","InChI=1S/C22H35F3N4O6/c1-11(2)15(16(30)22(23,24)25)28-18(32)14-9-8-10-29(14)19(33)13(4)26-17(31)12(3)27-20(34)35-21(5,6)7/h11-15H,8-10H2,1-7H3,(H,26,31)(H,27,34)(H,28,32)/t12-,13-,14-,15-/m0/s1","FFGHWNROQYNCDG-AJNGGQMLSA-N",32]
["D10635",18512,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50014732","CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)C(F)(F)F","InChI=1S/C29H38F3N5O6S/c1-16(2)24(25(38)29(30,31)32)34-27(40)22-13-9-15-37(22)28(41)18(4)33-26(39)17(3)35-44(42,43)23-14-8-10-19-20(23)11-7-12-21(19)36(5)6/h7-8,10-12,14,16-18,22,24,35H,9,13,15H2,1-6H3,(H,33,39)(H,34,40)/t17-,18-,22-,24-/m0/s1","KRPOBUBNNHJTKL-OVFSYLBISA-N",88]
["D10636",18519,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50014737","CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)C(F)(F)F","InChI=1S/C25H34F3N3O5/c1-15(2)19(20(32)25(26,27)28)30-21(33)18-12-9-13-31(18)22(34)17(14-16-10-7-6-8-11-16)29-23(35)36-24(3,4)5/h6-8,10-11,15,17-19H,9,12-14H2,1-5H3,(H,29,35)(H,30,33)/t17-,18-,19-/m0/s1","LLVTYRPZDHIEDE-FHWLQOOXSA-N",1800]
["D10637",4033,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66934","CC(C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)NC1CCCC1","InChI=1S/C25H37N3O4/c1-16(2)21(23(30)26-19-12-8-9-13-19)27-22(29)20-14-17-10-6-7-11-18(17)15-28(20)24(31)32-25(3,4)5/h6-7,10-11,16,19-21H,8-9,12-15H2,1-5H3,(H,26,30)(H,27,29)/t20-,21-/m0/s1","IYRSIBHLZFSZBG-SFTDATJTSA-N",{"$nulls":3},">350000"]
["D10638",724,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197538","CC(C)[C@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC12CC3CC(CC(C3)C1)C2","InChI=1S/C21H38N4O5S/c1-13(2)18(25-31(29,30)24-17(20(27)28)5-3-4-6-22)19(26)23-21-10-14-7-15(11-21)9-16(8-14)12-21/h13-18,24-25H,3-12,22H2,1-2H3,(H,23,26)(H,27,28)/t14?,15?,16?,17-,18-,21?/m0/s1","OUNNZIYXVZDQEH-OITRNQOZSA-N",null,">30000"]
["D10639",4191,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67074","CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC(=O)Nc1cccc(c1)S(N)(=O)=O","InChI=1S/C19H22FN3O7S2/c1-12(2)18(23-32(28,29)16-9-4-3-8-15(16)20)19(25)30-11-17(24)22-13-6-5-7-14(10-13)31(21,26)27/h3-10,12,18,23H,11H2,1-2H3,(H,22,24)(H2,21,26,27)/t18-/m0/s1","VQHXLYZYANMSQB-SFHVURJKSA-N",{"$nulls":3},">350000"]
["D10640",15281,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278239","CC(C)[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C33H39FN8O4/c1-21(2)30(43)32(44)42-10-9-29(27(34)17-42)46-28-8-3-22(15-23(28)16-35)31-36-20-37-33(39-31)38-24-4-6-25(7-5-24)40-11-13-41(14-12-40)26-18-45-19-26/h3-8,15,20-21,26-27,29-30,43H,9-14,17-19H2,1-2H3,(H,36,37,38,39)/t27-,29+,30+/m1/s1","UIAOZACQTYLTEA-GGCFSWKVSA-N",null,16]
["D10641",15989,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278064","CC(C)[C@H](Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(N)=O","InChI=1S/C28H32N8O3/c1-18(2)25(26(30)37)39-24-8-3-19(13-20(24)14-29)27-31-17-32-28(34-27)33-21-4-6-22(7-5-21)35-9-11-36(12-10-35)23-15-38-16-23/h3-8,13,17-18,23,25H,9-12,15-16H2,1-2H3,(H2,30,37)(H,31,32,33,34)/t25-/m0/s1","ZPXLMPJUMHHLKC-VWLOTQADSA-N",null,94]
["D10642",31685,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50207367","CC(C)[C@H]1CC[C@]23C[C@@H]4[C@H](C)C(=O)[C@H]5O[C@@]45[C@@]2(C)CC(=O)[C@]13C","InChI=1S/C20H28O3/c1-10(2)12-6-7-19-8-13-11(3)15(22)16-20(13,23-16)17(19,4)9-14(21)18(12,19)5/h10-13,16H,6-9H2,1-5H3/t11-,12+,13+,16+,17-,18-,19-,20-/m0/s1","XTHSBZKJZOMAJE-PGDSUDNMSA-N",null,2000]
["D10643",31697,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50207368","CC(C)[C@H]1CC[C@]23C[C@@H]4[C@H](C)C(=O)[C@H]5O[C@@]45[C@@]2(C)[C@@H](O)C(=O)[C@]13C","InChI=1S/C20H28O4/c1-9(2)11-6-7-19-8-12-10(3)13(21)16-20(12,24-16)18(19,5)15(23)14(22)17(11,19)4/h9-12,15-16,23H,6-8H2,1-5H3/t10-,11+,12+,15-,16+,17-,18-,19+,20-/m0/s1","QRAOOADPSNNYON-GUMRYWFSSA-N",null,7000]
["D10644",4649,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66591","CC(C)[C@H]1CN=C2N(CCNC(=O)CCC3CCCCC3)[C@H](Cc3ccc(O)cc3)CN12","InChI=1S/C26H40N4O2/c1-19(2)24-17-28-26-29(15-14-27-25(32)13-10-20-6-4-3-5-7-20)22(18-30(24)26)16-21-8-11-23(31)12-9-21/h8-9,11-12,19-20,22,24,31H,3-7,10,13-18H2,1-2H3,(H,27,32)/t22-,24-/m1/s1","LIZHCFXJVIDNIV-ISKFKSNPSA-N",{"$nulls":3},">350000"]
["D10645",481,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173929","CC(C)[C@H]1COCC(O)C(O)COc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C25H40N4O8/c1-15(2)20-12-36-13-21(30)22(31)14-37-17-8-6-16(7-9-17)11-19(23(32)27-20)29-25(35)28-18(24(33)34)5-3-4-10-26/h6-9,15,18-22,30-31H,3-5,10-14,26H2,1-2H3,(H,27,32)(H,33,34)(H2,28,29,35)/t18-,19+,20+,21?,22?/m0/s1","SMXQWQOLIUDIHX-HOGRCIIVSA-N",null,23,{"$nulls":4},7.4,"25.00 C"]
["D10646",13687,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B3","Homo sapiens","BDM19270679","CC(C)[C@H]1COCC(O)C(O)COc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc3","InChI=1S/C25H40N4O8/c1-15(2)20-12-36-13-21(30)22(31)14-37-17-8-6-16(7-9-17)11-19(23(32)27-20)29-25(35)28-18(24(33)34)5-3-4-10-26/h6-9,15,18-22,30-31H,3-5,10-14,26H2,1-2H3,(H,27,32)(H,33,34)(H2,28,29,35)/t18-,19+,20+,21?,22?/m0/s2","SMXQWQOLIUDIHX-HOGRCIIVSA-N",-14302.8956352129,61.1023267258744,33661.6701270626,{"$nulls":3},6.73730051184096,"25.00 C"]
["D10647",501,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173930","CC(C)[C@H]1COCC(O)CCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C25H40N4O7/c1-16(2)22-15-35-14-18(30)10-12-36-19-8-6-17(7-9-19)13-21(23(31)27-22)29-25(34)28-20(24(32)33)5-3-4-11-26/h6-9,16,18,20-22,30H,3-5,10-15,26H2,1-2H3,(H,27,31)(H,32,33)(H2,28,29,34)/t18?,20-,21+,22+/m0/s1","HRYCSZDOJDGWOJ-DGWNDXHESA-N",null,33,{"$nulls":4},7.4,"25.00 C"]
["D10648",13707,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19274580","CC(C)[C@H]1COCC(O)CCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc3","InChI=1S/C25H40N4O7/c1-16(2)22-15-35-14-18(30)10-12-36-19-8-6-17(7-9-19)13-21(23(31)27-22)29-25(34)28-20(24(32)33)5-3-4-11-26/h6-9,16,18,20-22,30H,3-5,10-15,26H2,1-2H3,(H,27,31)(H,32,33)(H2,28,29,34)/t18?,20-,21+,22+/m0/s2","HRYCSZDOJDGWOJ-DGWNDXHESA-N",-16346.1033077919,66.7229033144113,33674.3599109723,{"$nulls":3},6.73730933927781,"25.00 C"]
["D10649",479,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173926","CC(C)[C@H]1COCCC(=O)Nc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C24H37N5O6/c1-15(2)20-14-35-12-10-21(30)26-17-8-6-16(7-9-17)13-19(22(31)27-20)29-24(34)28-18(23(32)33)5-3-4-11-25/h6-9,15,18-20H,3-5,10-14,25H2,1-2H3,(H,26,30)(H,27,31)(H,32,33)(H2,28,29,34)/t18-,19+,20+/m0/s1","VSIDOZVYCSEJST-XUVXKRRUSA-N",null,22,{"$nulls":4},7.4,"25.00 C"]
["D10650",529,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173921","CC(C)[C@H]1COCCCCC2=CC(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)=CC2","InChI=1S/C26H37N5O5/c1-16(2)22-15-36-10-4-3-5-17-6-7-18(11-17)12-20(24(32)29-22)30-26(35)31-21(25(33)34)13-19-8-9-23(27)28-14-19/h7-9,11,14,16,20-22H,3-6,10,12-13,15H2,1-2H3,(H2,27,28)(H,29,32)(H,33,34)(H2,30,31,35)/t20-,21+,22-/m1/s1","BOLKYYSEIHZCKO-BHIFYINESA-N",null,52,{"$nulls":4},7.4,"25.00 C"]
["D10651",13735,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19280041","CC(C)[C@H]1COCCCCC2=CC(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)=CC3","InChI=1S/C26H37N5O5/c1-16(2)22-15-36-10-4-3-5-17-6-7-18(11-17)12-20(24(32)29-22)30-26(35)31-21(25(33)34)13-19-8-9-23(27)28-14-19/h7-9,11,14,16,20-22H,3-6,10,12-13,15H2,1-2H3,(H2,27,28)(H,29,32)(H,33,34)(H2,30,31,35)/t20-,21+,22-/m1/s2","BOLKYYSEIHZCKO-BHIFYINESA-N",-19206.5940494026,108.167524667525,33692.1256084459,{"$nulls":3},6.7373216976894,"25.00 C"]
["D10652",427,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173904","CC(C)[C@H]1COCCCCCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C29H48N4O6/c1-21(2)26-20-38-17-9-5-3-4-6-10-18-39-23-14-12-22(13-15-23)19-25(27(34)31-26)33-29(37)32-24(28(35)36)11-7-8-16-30/h12-15,21,24-26H,3-11,16-20,30H2,1-2H3,(H,31,34)(H,35,36)(H2,32,33,37)/t24-,25+,26+/m0/s1","QXXFIOYJSRYYSJ-JIMJEQGWSA-N",null,8.8,{"$nulls":4},7.4,"25.00 C"]
["D10653",13633,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19260147","CC(C)[C@H]1COCCCCCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc3","InChI=1S/C29H48N4O6/c1-21(2)26-20-38-17-9-5-3-4-6-10-18-39-23-14-12-22(13-15-23)19-25(27(34)31-26)33-29(37)32-24(28(35)36)11-7-8-16-30/h12-15,21,24-26H,3-11,16-20,30H2,1-2H3,(H,31,34)(H,35,36)(H2,32,33,37)/t24-,25+,26+/m0/s2","QXXFIOYJSRYYSJ-JIMJEQGWSA-N",-8786.23491924941,45.9267699368248,33627.4077105063,{"$nulls":3},6.73727667776147,"25.00 C"]
["D10654",530,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173932","CC(C)[C@H]1COCCCCOC[C@@H](NC(=O)N[C@H](CCCCN)C(O)=O)C(=O)N1","InChI=1S/C19H36N4O6/c1-13(2)15-11-28-9-5-6-10-29-12-16(17(24)21-15)23-19(27)22-14(18(25)26)7-3-4-8-20/h13-16H,3-12,20H2,1-2H3,(H,21,24)(H,25,26)(H2,22,23,27)/t14-,15-,16-/m1/s1","FQONWTZXYFYCBR-BZUAXINKSA-N",null,53,{"$nulls":4},7.4,"25.00 C"]
["D10655",13736,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19280236","CC(C)[C@H]1COCCCCOC[C@@H](NC(=O)N[C@H](CCCCN)C(O)=O)C(=O)N2","InChI=1S/C19H36N4O6/c1-13(2)15-11-28-9-5-6-10-29-12-16(17(24)21-15)23-19(27)22-14(18(25)26)7-3-4-8-20/h13-16H,3-12,20H2,1-2H3,(H,21,24)(H,25,26)(H2,22,23,27)/t14-,15-,16-/m1/s2","FQONWTZXYFYCBR-BZUAXINKSA-N",-19308.7544330316,109.695838695839,33692.7600976414,{"$nulls":3},6.73732213906124,"25.00 C"]
["D10656",532,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173924","CC(C)[C@H]1COCCCCOC[C@@H](NC(=O)N[C@H](Cc2ccc(N)nc2)C(O)=O)C(=O)N1","InChI=1S/C21H33N5O6/c1-13(2)16-11-31-7-3-4-8-32-12-17(19(27)24-16)26-21(30)25-15(20(28)29)9-14-5-6-18(22)23-10-14/h5-6,10,13,15-17H,3-4,7-9,11-12H2,1-2H3,(H2,22,23)(H,24,27)(H,28,29)(H2,25,26,30)/t15-,16-,17-/m1/s1","YUFHUHQAWMPSLE-BRWVUGGUSA-N",null,55,{"$nulls":4},7.4,"25.00 C"]
["D10657",13738,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19280626","CC(C)[C@H]1COCCCCOC[C@@H](NC(=O)N[C@H](Cc2ccc(N)nc2)C(O)=O)C(=O)N2","InChI=1S/C21H33N5O6/c1-13(2)16-11-31-7-3-4-8-32-12-17(19(27)24-16)26-21(30)25-15(20(28)29)9-14-5-6-18(22)23-10-14/h5-6,10,13,15-17H,3-4,7-9,11-12H2,1-2H3,(H2,22,23)(H,24,27)(H,28,29)(H2,25,26,30)/t15-,16-,17-/m1/s2","YUFHUHQAWMPSLE-BRWVUGGUSA-N",-19513.0752002895,112.752466752467,33694.0290760324,{"$nulls":3},6.73732302180493,"25.00 C"]
["D10658",403,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173886","CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C25H40N4O6/c1-17(2)22-16-34-13-5-6-14-35-19-10-8-18(9-11-19)15-21(23(30)27-22)29-25(33)28-20(24(31)32)7-3-4-12-26/h8-11,17,20-22H,3-7,12-16,26H2,1-2H3,(H,27,30)(H,31,32)(H2,28,29,33)/t20-,21+,22+/m0/s1","LULOJIQVOUOYMX-BHDDXSALSA-N",null,6,{"$nulls":4},7.4,"25.00 C"]
["D10659",13609,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19255466","CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc3","InChI=1S/C25H40N4O6/c1-17(2)22-16-34-13-5-6-14-35-19-10-8-18(9-11-19)15-21(23(30)27-22)29-25(33)28-20(24(31)32)7-3-4-12-26/h8-11,17,20-22H,3-7,12-16,26H2,1-2H3,(H,27,30)(H,31,32)(H2,28,29,33)/t20-,21+,22+/m0/s2","LULOJIQVOUOYMX-BHDDXSALSA-N",-6334.38571215451,39.1820780305805,33612.1799698147,{"$nulls":3},6.73726608483725,"25.00 C"]
["D10660",624,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173911","CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CS(=O)(=O)CCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C24H38N4O8S/c1-16(2)20-14-35-10-3-4-11-36-18-7-5-17(6-8-18)13-19(22(29)26-20)27-24(32)28-21(23(30)31)15-37(33,34)12-9-25/h5-8,16,19-21H,3-4,9-15,25H2,1-2H3,(H,26,29)(H,30,31)(H2,27,28,32)/t19-,20-,21+/m1/s1","OIDOVTVIWNAVJY-NJYVYQBISA-N",null,649,{"$nulls":4},7.4,"25.00 C"]
["D10661",13830,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B3","Homo sapiens","BDM19298569","CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CS(=O)(=O)CCN)C(O)=O)C(=O)N1)cc3","InChI=1S/C24H38N4O8S/c1-16(2)20-14-35-10-3-4-11-36-18-7-5-17(6-8-18)13-19(22(29)26-20)27-24(32)28-21(23(30)31)15-37(33,34)12-9-25/h5-8,16,19-21H,3-4,9-15,25H2,1-2H3,(H,26,29)(H,30,31)(H2,27,28,32)/t19-,20-,21+/m1/s2","OIDOVTVIWNAVJY-NJYVYQBISA-N",-28911.8304941532,2811.52435393366,33752.4020820171,{"$nulls":3},6.73736362801443,"25.00 C"]
["D10662",429,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173918","CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)cc2","InChI=1S/C27H37N5O6/c1-17(2)23-16-37-11-3-4-12-38-20-8-5-18(6-9-20)13-21(25(33)30-23)31-27(36)32-22(26(34)35)14-19-7-10-24(28)29-15-19/h5-10,15,17,21-23H,3-4,11-14,16H2,1-2H3,(H2,28,29)(H,30,33)(H,34,35)(H2,31,32,36)/t21-,22+,23-/m1/s1","ZVEVQADHVAIPND-XPWALMASSA-N",null,9,{"$nulls":4},7.4,"25.00 C"]
["D10663",442,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173923","CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)cc2F","InChI=1S/C27H36FN5O6/c1-16(2)22-15-38-9-3-4-10-39-23-7-5-17(11-19(23)28)12-20(25(34)31-22)32-27(37)33-21(26(35)36)13-18-6-8-24(29)30-14-18/h5-8,11,14,16,20-22H,3-4,9-10,12-13,15H2,1-2H3,(H2,29,30)(H,31,34)(H,35,36)(H2,32,33,37)/t20-,21+,22-/m1/s1","PXDQHVXCCCTJKZ-BHIFYINESA-N",null,12,{"$nulls":4},7.4,"25.00 C"]
["D10664",13635,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19260537","CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)cc3","InChI=1S/C27H37N5O6/c1-17(2)23-16-37-11-3-4-12-38-20-8-5-18(6-9-20)13-21(25(33)30-23)31-27(36)32-22(26(34)35)14-19-7-10-24(28)29-15-19/h5-10,15,17,21-23H,3-4,11-14,16H2,1-2H3,(H2,28,29)(H,30,33)(H,34,35)(H2,31,32,36)/t21-,22+,23-/m1/s2","ZVEVQADHVAIPND-XPWALMASSA-N",-8990.55568650731,46.4888275956785,33628.6766888973,{"$nulls":3},6.73727756050516,"25.00 C"]
["D10665",536,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173931","CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C24H40N4O7S/c1-17(2)22-16-34-13-5-6-14-35-19-10-8-18(9-11-19)15-21(23(29)26-22)28-36(32,33)27-20(24(30)31)7-3-4-12-25/h8-11,17,20-22,27-28H,3-7,12-16,25H2,1-2H3,(H,26,29)(H,30,31)/t20-,21+,22+/m0/s1","UHDSHGDMNRMYEP-BHDDXSALSA-N",null,59,{"$nulls":4},7.4,"25.00 C"]
["D10666",13742,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19281406","CC(C)[C@H]1COCCCCOc2ccc(C[C@@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc3","InChI=1S/C24H40N4O7S/c1-17(2)22-16-34-13-5-6-14-35-19-10-8-18(9-11-19)15-21(23(29)26-22)28-36(32,33)27-20(24(30)31)7-3-4-12-25/h8-11,17,20-22,27-28H,3-7,12-16,25H2,1-2H3,(H,26,29)(H,30,31)/t20-,21+,22+/m0/s2","UHDSHGDMNRMYEP-BHDDXSALSA-N",-19921.7167348053,118.865722865723,33696.5670328143,{"$nulls":3},6.7373247872923,"25.00 C"]
["D10667",472,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173922","CC(C)[C@H]1COCCCCc2ccc(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)cc2","InChI=1S/C27H37N5O5/c1-17(2)23-16-37-12-4-3-5-18-6-8-19(9-7-18)13-21(25(33)30-23)31-27(36)32-22(26(34)35)14-20-10-11-24(28)29-15-20/h6-11,15,17,21-23H,3-5,12-14,16H2,1-2H3,(H2,28,29)(H,30,33)(H,34,35)(H2,31,32,36)/t21-,22+,23-/m1/s1","OAJFUQYROAKCKW-XPWALMASSA-N",null,21,{"$nulls":4},7.4,"25.00 C"]
["D10668",13678,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19268924","CC(C)[C@H]1COCCCCc2ccc(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)cc3","InChI=1S/C27H37N5O5/c1-17(2)23-16-37-12-4-3-5-18-6-8-19(9-7-18)13-21(25(33)30-23)31-27(36)32-22(26(34)35)14-20-10-11-24(28)29-15-20/h6-11,15,17,21-23H,3-5,12-14,16H2,1-2H3,(H2,28,29)(H,30,33)(H,34,35)(H2,31,32,36)/t21-,22+,23-/m1/s2","OAJFUQYROAKCKW-XPWALMASSA-N",-13383.4521825523,58.5730672610328,33655.9597243032,{"$nulls":3},6.73729653949438,"25.00 C"]
["D10669",516,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173928","CC(C)[C@H]1COCCNC(=O)c2ccc(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)cc2","InChI=1S/C26H34N6O6/c1-15(2)21-14-38-10-9-28-23(33)18-6-3-16(4-7-18)11-19(24(34)30-21)31-26(37)32-20(25(35)36)12-17-5-8-22(27)29-13-17/h3-8,13,15,19-21H,9-12,14H2,1-2H3,(H2,27,29)(H,28,33)(H,30,34)(H,35,36)(H2,31,32,37)/t19-,20+,21-/m1/s1","TXPMYHVVLIAOAI-QHAWAJNXSA-N",null,40,{"$nulls":4},7.4,"25.00 C"]
["D10670",13722,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19277505","CC(C)[C@H]1COCCNC(=O)c2ccc(C[C@@H](NC(=O)N[C@@H](Cc3ccc(N)nc3)C(O)=O)C(=O)N1)cc3","InChI=1S/C26H34N6O6/c1-15(2)21-14-38-10-9-28-23(33)18-6-3-16(4-7-18)11-19(24(34)30-21)31-26(37)32-20(25(35)36)12-17-5-8-22(27)29-13-17/h3-8,13,15,19-21H,9-12,14H2,1-2H3,(H2,27,29)(H,28,33)(H,30,34)(H,35,36)(H2,31,32,37)/t19-,20+,21-/m1/s2","TXPMYHVVLIAOAI-QHAWAJNXSA-N",-17878.5090622262,70.938335755814,33683.8772489046,{"$nulls":3},6.73731595985545,"25.00 C"]
["D10671",413,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173906","CC(C)[C@H]1COC\\C=C\\COc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C25H38N4O6/c1-17(2)22-16-34-13-5-6-14-35-19-10-8-18(9-11-19)15-21(23(30)27-22)29-25(33)28-20(24(31)32)7-3-4-12-26/h5-6,8-11,17,20-22H,3-4,7,12-16,26H2,1-2H3,(H,27,30)(H,31,32)(H2,28,29,33)/b6-5+/t20-,21+,22+/m0/s1","DWGPZJBQYFUONC-HVKQOZRQSA-N",null,7.7,{"$nulls":4},7.4,"25.00 C"]
["D10672",13619,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19257417","CC(C)[C@H]1COC\\C=C\\COc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc3","InChI=1S/C25H38N4O6/c1-17(2)22-16-34-13-5-6-14-35-19-10-8-18(9-11-19)15-21(23(30)27-22)29-25(33)28-20(24(31)32)7-3-4-12-26/h5-6,8-11,17,20-22H,3-4,7,12-16,26H2,1-2H3,(H,27,30)(H,31,32)(H2,28,29,33)/b6-5+/t20-,21+,22+/m0/s2","DWGPZJBQYFUONC-HVKQOZRQSA-N",-7355.98954844401,41.992366324849,33618.5248617695,{"$nulls":3},6.73727049855568,"25.00 C"]
["D10673",18003,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569988","CC(C)c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(C)CO4)cc3F)c12","InChI=1S/C22H24F2N4O2/c1-12(2)14-9-26-20-18(14)17(5-6-25-20)30-19-15(23)7-13(8-16(19)24)28-21-27-10-22(3,4)11-29-21/h5-9,12H,10-11H2,1-4H3,(H,25,26)(H,27,28)","SOXJYRDAEJPRKZ-UHFFFAOYSA-N",null,">20000"]
["D10674",18001,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569986","CC(C)c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D10675",18002,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569987","CC(C)c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(CO)(CO4)C(C)C)cc3F)c12",{"$nulls":3},">20000"]
["D10676",17992,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569977","CC(C)c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(F)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D10677",18004,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569989","CC(C)c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC5(CCOC5)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D10678",17958,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569943","CC(C)c1c[nH]c2nccc(Oc3ccc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D10679",17959,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569944","CC(C)c1c[nH]c2nccc(Oc3ccc(NC4=NCC(F)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D10680",17025,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153740","CC(C)c1cc(NS(=O)(=O)c2ccco2)cc2c(C(N)=O)c(NC(N)=O)sc12","InChI=1S/C17H18N4O5S2/c1-8(2)10-6-9(21-28(24,25)12-4-3-5-26-12)7-11-13(15(18)22)16(20-17(19)23)27-14(10)11/h3-8,21H,1-2H3,(H2,18,22)(H3,19,20,23)","KVXMXTQXVVZZHA-UHFFFAOYSA-N",null,1460]
["D10681",17936,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569920","CC(C)c1cc(ccc1-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12)C#N",{"$nulls":3},">20000"]
["D10682",15255,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478599","CC(C)c1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C28H32N8O/c1-18(2)23-15-24(31-17-30-23)21-5-6-22-25(14-21)33-28(32-22)34-26-13-19(7-8-29-26)16-35-9-11-36(12-10-35)27(37)20-3-4-20/h5-8,13-15,17-18,20H,3-4,9-12,16H2,1-2H3,(H2,29,32,33,34)","MPTVXBQOYFXBIT-UHFFFAOYSA-N",null,15]
["D10683",15392,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478598","CC(C)c1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C27H29F3N8O/c1-17(2)21-13-22(33-16-32-21)19-3-4-20-23(12-19)35-26(34-20)36-24-11-18(5-6-31-24)15-37-7-9-38(10-8-37)25(39)14-27(28,29)30/h3-6,11-13,16-17H,7-10,14-15H2,1-2H3,(H2,31,34,35,36)","AUONWYLYBLHFDV-UHFFFAOYSA-N",null,22]
["D10684",16581,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357914","CC(C)c1cc2c(cc1F)oc1nc(N)c(cc1c2=O)C(O)=O","InChI=1S/C16H13FN2O4/c1-6(2)7-3-8-12(5-11(7)17)23-15-9(13(8)20)4-10(16(21)22)14(18)19-15/h3-6H,1-2H3,(H2,18,19)(H,21,22)","ZAFOQCLNYNBOQC-UHFFFAOYSA-N",null,398]
["D10685",16744,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357899","CC(C)c1cc2c(cn1)oc1nc(N)c(cc1c2=O)C(O)=O","InChI=1S/C15H13N3O4/c1-6(2)10-4-7-11(5-17-10)22-14-8(12(7)19)3-9(15(20)21)13(16)18-14/h3-6H,1-2H3,(H2,16,18)(H,20,21)","HDNSOCZDMSVBGH-UHFFFAOYSA-N",null,570]
["D10686",4585,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66535","CC(C)c1ccc(NC(=S)NNC(=O)c2cccs2)cc1","InChI=1S/C15H17N3OS2/c1-10(2)11-5-7-12(8-6-11)16-15(20)18-17-14(19)13-4-3-9-21-13/h3-10H,1-2H3,(H,17,19)(H2,16,18,20)","OWFWIARMXUZLHT-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10687",11840,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42993","CC(C)c1ccc(OCC(=O)NC(=S)Nc2ccc3CCc4cccc2c34)cc1","InChI=1S/C24H24N2O2S/c1-15(2)16-8-11-19(12-9-16)28-14-22(27)26-24(29)25-21-13-10-18-7-6-17-4-3-5-20(21)23(17)18/h3-5,8-13,15H,6-7,14H2,1-2H3,(H2,25,26,27,29)","QAFIXTBBRWOSNZ-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D10688",16540,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153720","CC(C)c1ccc(Oc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1","InChI=1S/C22H29N7O/c1-15(2)17-5-7-18(8-6-17)30-22-24-19(23-20-13-16(3)26-27-20)14-21(25-22)29-11-9-28(4)10-12-29/h5-8,13-15H,9-12H2,1-4H3,(H2,23,24,25,26,27)","MFJUEHRVOHMXFP-UHFFFAOYSA-N",null,340]
["D10689",12450,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42963","CC(C)c1ccc(cc1)N(CC(=O)Nc1ccc2OCCOc2c1)S(=O)(=O)c1c(C)n[nH]c1C","InChI=1S/C24H28N4O5S/c1-15(2)18-5-8-20(9-6-18)28(34(30,31)24-16(3)26-27-17(24)4)14-23(29)25-19-7-10-21-22(13-19)33-12-11-32-21/h5-10,13,15H,11-12,14H2,1-4H3,(H,25,29)(H,26,27)","IDKIFUIWXQDDQV-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D10690",4542,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66498","CC(C)c1ccc2=NC(=O)C(NNC(=O)c3cccc(c3)S(=O)(=O)Nc3ccc(Cl)cc3)=c2c1","InChI=1S/C24H21ClN4O4S/c1-14(2)15-6-11-21-20(13-15)22(24(31)26-21)27-28-23(30)16-4-3-5-19(12-16)34(32,33)29-18-9-7-17(25)8-10-18/h3-14,29H,1-2H3,(H,28,30)(H,26,27,31)","ICXSXBQUCZRRSX-UHFFFAOYSA-N",{"$nulls":3},37330]
["D10691",25441,"7e88_L",0.3,"Spike protein S1","DNA polymerase kappa","Homo sapiens","BDBM50191327","CC(C)c1ccc2C(Cc3ccc(Cl)cc3)C(CC(C)(C)C(O)=O)C(SC(C)(C)C)c2c1","InChI=1S/C28H37ClO2S/c1-17(2)19-10-13-21-22(14-18-8-11-20(29)12-9-18)24(16-28(6,7)26(30)31)25(23(21)15-19)32-27(3,4)5/h8-13,15,17,22,24-25H,14,16H2,1-7H3,(H,30,31)","SYLBCYQWXLWMGW-UHFFFAOYSA-N",null,5600]
["D10692",16494,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357909","CC(C)c1ccc2c(c1)oc1nc(N)c(cc1c2=O)C(O)=O","InChI=1S/C16H14N2O4/c1-7(2)8-3-4-9-12(5-8)22-15-10(13(9)19)6-11(16(20)21)14(17)18-15/h3-7H,1-2H3,(H2,17,18)(H,20,21)","ILCMMGSPXXYUSR-UHFFFAOYSA-N",null,300]
["D10693",17037,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357898","CC(C)c1ccc2oc3nc(N)c(CO)cc3c(=O)c2c1","InChI=1S/C16H16N2O3/c1-8(2)9-3-4-13-11(5-9)14(20)12-6-10(7-19)15(17)18-16(12)21-13/h3-6,8,19H,7H2,1-2H3,(H2,17,18)","FNXYAAYXMAUWBG-UHFFFAOYSA-N",null,1560]
["D10694",17697,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357923","CC(C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)-c1ncon1","InChI=1S/C17H14N4O3/c1-8(2)9-3-4-13-10(5-9)14(22)11-6-12(16-19-7-23-21-16)15(18)20-17(11)24-13/h3-8H,1-2H3,(H2,18,20)","VJDDNCLITGCOKA-UHFFFAOYSA-N",null,14400]
["D10695",16356,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357919","CC(C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)-c1nnn[nH]1","InChI=1S/C16H14N6O2/c1-7(2)8-3-4-12-9(5-8)13(23)10-6-11(15-19-21-22-20-15)14(17)18-16(10)24-12/h3-7H,1-2H3,(H2,17,18)(H,19,20,21,22)","YHCFWEQYIPEHCK-UHFFFAOYSA-N",null,180]
["D10696",17012,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357922","CC(C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)-c1noc(=O)[nH]1","InChI=1S/C17H14N4O4/c1-7(2)8-3-4-12-9(5-8)13(22)10-6-11(14(18)19-16(10)24-12)15-20-17(23)25-21-15/h3-7H,1-2H3,(H2,18,19)(H,20,21,23)","UWDYDEQBLCMCPN-UHFFFAOYSA-N",null,1400]
["D10697",16353,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357921","CC(C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(=O)Nc1nnn[nH]1","InChI=1S/C17H15N7O3/c1-7(2)8-3-4-12-9(5-8)13(25)10-6-11(14(18)19-16(10)27-12)15(26)20-17-21-23-24-22-17/h3-7H,1-2H3,(H2,18,19)(H2,20,21,22,23,24,26)","JDIHMNISRGRMDY-UHFFFAOYSA-N",null,180]
["D10698",16828,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357857","CC(C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O","InChI=1S/C16H14N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-7H,1-2H3,(H2,17,18)(H,20,21)","SGRYPYWGNKJSDL-UHFFFAOYSA-N",null,850]
["D10699",18038,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357928","CC(C)c1ccc2oc3nc(N)ccc3c(=O)c2c1","InChI=1S/C15H14N2O2/c1-8(2)9-3-5-12-11(7-9)14(18)10-4-6-13(16)17-15(10)19-12/h3-8H,1-2H3,(H2,16,17)","MJHQRCUJDFRTLG-UHFFFAOYSA-N",null,24400]
["D10700",15960,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357915","CC(C)c1ccc2oc3nc(\\N=C\\N(C)C)c(cc3c(=O)c2c1)C(O)=O","InChI=1S/C19H19N3O4/c1-10(2)11-5-6-15-12(7-11)16(23)13-8-14(19(24)25)17(20-9-22(3)4)21-18(13)26-15/h5-10H,1-4H3,(H,24,25)/b20-9+","RQOJUVFWECKQII-AWQFTUOYSA-N",null,80]
["D10701",4153,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67038","CC(C)c1cccc(c1)-c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)NC1CCCC1","InChI=1S/C28H27NO4S/c1-17(2)18-7-5-8-19(15-18)20-13-14-22-25(16-20)34(32,33)24-12-6-11-23(26(24)27(22)30)28(31)29-21-9-3-4-10-21/h5-8,11-17,21H,3-4,9-10H2,1-2H3,(H,29,31)","MPHMHKSGQBOWRZ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10702",4157,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67042","CC(C)c1cccc(c1)-c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)NCc1ccccc1Cl","InChI=1S/C30H24ClNO4S/c1-18(2)19-8-5-9-20(15-19)21-13-14-23-27(16-21)37(35,36)26-12-6-10-24(28(26)29(23)33)30(34)32-17-22-7-3-4-11-25(22)31/h3-16,18H,17H2,1-2H3,(H,32,34)","SYDDVTBVEIWGDH-UHFFFAOYSA-N",{"$nulls":3},75810]
["D10703",28425,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50356160","CC(C)c1cccc2cc[n+](C)c(CCCCCc3[n+](C)ccc4cccc(C(C)C)c34)c12","InChI=1S/C31H40N2/c1-22(2)26-14-10-12-24-18-20-32(5)28(30(24)26)16-8-7-9-17-29-31-25(19-21-33(29)6)13-11-15-27(31)23(3)4/h10-15,18-23H,7-9,16-17H2,1-6H3/q+2","RKARHHCCHCTCIN-UHFFFAOYSA-N",575]
["D10704",28424,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50356159","CC(C)c1cccc2cc[n+](C)c(CCCCc3[n+](C)ccc4cccc(C(C)C)c34)c12","InChI=1S/C30H38N2/c1-21(2)25-13-9-11-23-17-19-31(5)27(29(23)25)15-7-8-16-28-30-24(18-20-32(28)6)12-10-14-26(30)22(3)4/h9-14,17-22H,7-8,15-16H2,1-6H3/q+2","WAAHQOAKMRZFTH-UHFFFAOYSA-N",214,{"$nulls":5},7.5,"30.00 C"]
["D10705",28426,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50356158","CC(C)c1cccc2cc[n+](C)c(CCCc3[n+](C)ccc4cccc(C(C)C)c34)c12","InChI=1S/C29H36N2/c1-20(2)24-12-7-10-22-16-18-30(5)26(28(22)24)14-9-15-27-29-23(17-19-31(27)6)11-8-13-25(29)21(3)4/h7-8,10-13,16-21H,9,14-15H2,1-6H3/q+2","FIUWYIYFUPSRSD-UHFFFAOYSA-N",837]
["D10706",28427,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50356162","CC(C)c1cccc2cc[n+](C)c(Cc3ccc(Cc4[n+](C)ccc5cccc(C(C)C)c45)cc3)c12","InChI=1S/C34H38N2/c1-23(2)29-11-7-9-27-17-19-35(5)31(33(27)29)21-25-13-15-26(16-14-25)22-32-34-28(18-20-36(32)6)10-8-12-30(34)24(3)4/h7-20,23-24H,21-22H2,1-6H3/q+2","ZEPJIQOJKFSZPM-UHFFFAOYSA-N",1268]
["D10707",28423,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50356161","CC(C)c1cccc2cc[n+](C)c(Cc3cccc(Cc4[n+](C)ccc5cccc(C(C)C)c45)c3)c12","InChI=1S/C34H38N2/c1-23(2)29-14-8-12-27-16-18-35(5)31(33(27)29)21-25-10-7-11-26(20-25)22-32-34-28(17-19-36(32)6)13-9-15-30(34)24(3)4/h7-20,23-24H,21-22H2,1-6H3/q+2","XMROENZSOFWKAA-UHFFFAOYSA-N",46,{"$nulls":5},7.5,"30.00 C"]
["D10708",16973,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50469232","CC(C)c1cccc2oc3nc(N)c(cc3c(=O)c12)C(O)=O","InChI=1S/C16H14N2O4/c1-7(2)8-4-3-5-11-12(8)13(19)9-6-10(16(20)21)14(17)18-15(9)22-11/h3-7H,1-2H3,(H2,17,18)(H,20,21)","BSWKCFYUOMUIPJ-UHFFFAOYSA-N",null,1096]
["D10709",17941,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569925","CC(C)c1ccccc1-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D10710",16961,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50401934","CC(C)c1cnc(Nc2cccc(F)c2)nc1NCCCNC(=O)C1CCC1","InChI=1S/C21H28FN5O/c1-14(2)18-13-25-21(26-17-9-4-8-16(22)12-17)27-19(18)23-10-5-11-24-20(28)15-6-3-7-15/h4,8-9,12-15H,3,5-7,10-11H2,1-2H3,(H,24,28)(H2,23,25,26,27)","IWBSHHKFHATOAP-UHFFFAOYSA-N",null,">1000"]
["D10711",4002,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66905","CC(C)c1nnc(NC(=O)COC(=O)\\C=C\\c2ccc(cc2)[N+]([O-])=O)s1","InChI=1S/C16H16N4O5S/c1-10(2)15-18-19-16(26-15)17-13(21)9-25-14(22)8-5-11-3-6-12(7-4-11)20(23)24/h3-8,10H,9H2,1-2H3,(H,17,19,21)/b8-5+","DURGAROOKWMFDS-VMPITWQZSA-N",{"$nulls":3},">350000"]
["D10712",3944,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66855","CC(C)c1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccc(C)cc2)s1","InChI=1S/C18H18ClN5O3S2/c1-10(2)16-23-24-17(28-16)22-15(25)14-13(19)8-20-18(21-14)29(26,27)9-12-6-4-11(3)5-7-12/h4-8,10H,9H2,1-3H3,(H,22,24,25)","VWDOEFIYQBBRAM-UHFFFAOYSA-N",{"$nulls":3},338000]
["D10713",3981,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66887","CC(C)c1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2cccc(C)c2)s1","InChI=1S/C18H18ClN5O3S2/c1-10(2)16-23-24-17(28-16)22-15(25)14-13(19)8-20-18(21-14)29(26,27)9-12-6-4-5-11(3)7-12/h4-8,10H,9H2,1-3H3,(H,22,24,25)","UMBCEWOZRUBUBU-UHFFFAOYSA-N",{"$nulls":3},163700]
["D10714",17977,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570051","CC(C)c1nnc(o1)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D10715",12287,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87352","CC(C)n1c(C)cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1C","InChI=1S/C18H20N2O4S/c1-11(2)20-12(3)9-15(13(20)4)16(21)10-19-18(22)14-7-5-6-8-17(14)25(19,23)24/h5-9,11H,10H2,1-4H3","OGSKZEXSCHFECA-UHFFFAOYSA-N",null,32394]
["D10716",12365,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42897","CC(C)n1c(SCC(=O)NCc2ccco2)nc2n(C)c(=O)n(C)c(=O)c12","InChI=1S/C17H21N5O4S/c1-10(2)22-13-14(20(3)17(25)21(4)15(13)24)19-16(22)27-9-12(23)18-8-11-6-5-7-26-11/h5-7,10H,8-9H2,1-4H3,(H,18,23)","MPOLLPLDJVMHFP-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D10717",12146,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM4210","CC(C)n1c(SCC(=O)Nc2nc3CCCCc3s2)nc2n(C)c(=O)n(C)c(=O)c12","InChI=1S/C19H24N6O3S2/c1-10(2)25-14-15(23(3)19(28)24(4)16(14)27)22-18(25)29-9-13(26)21-17-20-11-7-5-6-8-12(11)30-17/h10H,5-9H2,1-4H3,(H,20,21,26)","ANJZSFYWCCWHIX-UHFFFAOYSA-N",null,5858]
["D10718",4915,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50305861","CC(C)n1c(cc2onc(-c3ccccc3)c2c1=O)-c1ccccc1","InChI=1S/C21H18N2O2/c1-14(2)23-17(15-9-5-3-6-10-15)13-18-19(21(23)24)20(22-25-18)16-11-7-4-8-12-16/h3-14H,1-2H3","BVEZCWLBVBERNK-UHFFFAOYSA-N",null,">10000"]
["D10719",12126,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM39369","CC(C)n1c(nc2cnccc12)-c1cccnc1","InChI=1S/C14H14N4/c1-10(2)18-13-5-7-16-9-12(13)17-14(18)11-4-3-6-15-8-11/h3-10H,1-2H3","UJDFXUUPWFJRGV-UHFFFAOYSA-N",null,5264]
["D10720",2,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401918","CC(C)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C21H31N7O/c1-14(2)28-13-17(11-25-28)26-21-24-12-18(15-7-8-15)19(27-21)22-9-4-10-23-20(29)16-5-3-6-16/h11-16H,3-10H2,1-2H3,(H,23,29)(H2,22,24,26,27)","MLWMBKMQVQOSSC-UHFFFAOYSA-N",null,81]
["D10721",16641,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278127","CC(C)n1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)cn1","InChI=1S/C23H25FN8O3/c1-14(2)32-10-17(9-28-32)29-23-27-13-26-22(30-23)15-3-4-19(16(7-15)8-25)35-20-5-6-31(11-18(20)24)21(34)12-33/h3-4,7,9-10,13-14,18,20,33H,5-6,11-12H2,1-2H3,(H,26,27,29,30)/t18-,20+/m1/s1","QUOKNSGMLFDHHY-QUCCMNQESA-N",null,2]
["D10722",16115,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278352","CC(C)n1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@@H](O)CO)c(c2)C#N)cn1","InChI=1S/C24H27FN8O4/c1-14(2)33-10-17(9-29-33)30-24-28-13-27-22(31-24)15-3-4-20(16(7-15)8-26)37-21-5-6-32(11-18(21)25)23(36)19(35)12-34/h3-4,7,9-10,13-14,18-19,21,34-35H,5-6,11-12H2,1-2H3,(H,27,28,30,31)/t18-,19+,21+/m1/s1","GXCCDZRRVFNQMR-DYXWJJEUSA-N",null,2]
["D10723",17882,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569863","CC(C)n1ccc(n1)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D10724",350,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226609","CC(C)n1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C11H20N4O2/c1-8(2)15-6-9(14-7-15)5-10(11(16)17)13-4-3-12/h6-8,10,13H,3-5,12H2,1-2H3,(H,16,17)/t10-/m0/s1","DSCXKBLEKKGFNS-JTQLQIEISA-N",430]
["D10725",13556,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19245129","CC(C)n1cnc(C[C@H](NCCN)C(O)=O)c2","InChI=1S/C11H20N4O2/c1-8(2)15-6-9(14-7-15)5-10(11(16)17)13-4-3-12/h6-8,10,13H,3-5,12H2,1-2H3,(H,16,17)/t10-/m0/s2","DSCXKBLEKKGFNS-JTQLQIEISA-N",-17203.4945096465,-126480.734342099,33578.5520424539,{"$nulls":3},6.7372426921296]
["D10726",527,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135938","CC(C)n1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O","InChI=1S/C14H18N4O2/c1-9(2)18-7-12(17-8-18)11(14(19)20)5-10-3-4-13(15)16-6-10/h3-4,6-9,11H,5H2,1-2H3,(H2,15,16)(H,19,20)","FOEIIYROBVUQFU-UHFFFAOYSA-N",null,52]
["D10727",25913,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM36409","CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12","InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)","MFAQYJIYDMLAIM-UHFFFAOYSA-N",null,null,">10000"]
["D10728",17922,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570032","CC(C)n1nc(cc1-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(F)(CO)CO4)cc3F)c12)C(F)(F)F",{"$nulls":3},">20000"]
["D10729",17856,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569965","CC(C)n1nccc1-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(C)CO4)cc3F)c12","InChI=1S/C25H26F2N6O2/c1-14(2)33-19(5-8-31-33)16-11-29-23-21(16)20(6-7-28-23)35-22-17(26)9-15(10-18(22)27)32-24-30-12-25(3,4)13-34-24/h5-11,14H,12-13H2,1-4H3,(H,28,29)(H,30,32)","KZNNJACFZBRFMI-UHFFFAOYSA-N",null,">20000"]
["D10730",17270,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569867","CC(C)n1nccc1-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},2600]
["D10731",17855,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569964","CC(C)n1nccc1-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(F)(F)CO4)cc3F)c12","InChI=1S/C23H20F4N6O2/c1-12(2)33-17(3-6-31-33)14-9-29-21-19(14)18(4-5-28-21)35-20-15(24)7-13(8-16(20)25)32-22-30-10-23(26,27)11-34-22/h3-9,12H,10-11H2,1-2H3,(H,28,29)(H,30,32)","NAMJJQNRYJAMMN-UHFFFAOYSA-N",null,">20000"]
["D10732",17280,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569966","CC(C)n1nccc1-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC5(CC5)CO4)cc3F)c12","InChI=1S/C25H24F2N6O2/c1-14(2)33-19(3-8-31-33)16-11-29-23-21(16)20(4-7-28-23)35-22-17(26)9-15(10-18(22)27)32-24-30-12-25(5-6-25)13-34-24/h3-4,7-11,14H,5-6,12-13H2,1-2H3,(H,28,29)(H,30,32)","FOCXYZRXQJSJES-UHFFFAOYSA-N",null,2900]
["D10733",17858,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569967","CC(C)n1nccc1-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCCCO4)cc3F)c12","InChI=1S/C23H22F2N6O2/c1-13(2)31-18(4-8-29-31)15-12-28-22-20(15)19(5-7-26-22)33-21-16(24)10-14(11-17(21)25)30-23-27-6-3-9-32-23/h4-5,7-8,10-13H,3,6,9H2,1-2H3,(H,26,28)(H,27,30)","RJSLWJIONKTDPH-UHFFFAOYSA-N",null,">20000"]
["D10734",16159,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478588","CC(C)n1nccc1-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)C3CC3)[nH]c2c1",{"$nulls":3},100]
["D10735",16436,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478587","CC(C)n1nccc1-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)CC(F)(F)F)[nH]c2c1",{"$nulls":3},250]
["D10736",16815,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478586","CC(C)n1nccc1-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)OC(C)(C)C)[nH]c2c1",{"$nulls":3},800]
["D10737",15341,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478591","CC(C1CC1)n1cc(cn1)-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)CC(F)(F)F)[nH]c2c1",{"$nulls":3},19]
["D10738",3953,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66860","CC(CC(=O)N1CCN(CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccc2OCC(=O)Nc2c1","InChI=1S/C22H24ClN3O5S/c1-15(32(29,30)18-5-6-20-19(13-18)24-21(27)14-31-20)11-22(28)26-9-7-25(8-10-26)17-4-2-3-16(23)12-17/h2-6,12-13,15H,7-11,14H2,1H3,(H,24,27)","BHOIXOYQQFHAKN-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10739",4142,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67028","CC(CC(O)[C@H]1O[C@@H]2CC[C@@]3(CC[C@@H](O3)\\C=C\\C(C)[C@@H]3CC(C)=CC4(O[C@H](C[C@@](C)(O)CO)CCC4O)O3)O[C@H]2C(O)C1=C)[C@H]1OC2(CCCCO2)CCC1C","InChI=1S/C44H70O12/c1-26-21-35(54-44(23-26)36(47)12-11-32(53-44)24-41(6,49)25-45)27(2)9-10-31-14-18-43(52-31)19-15-34-40(56-43)37(48)30(5)39(51-34)33(46)22-29(4)38-28(3)13-17-42(55-38)16-7-8-20-50-42/h9-10,23,27-29,31-40,45-49H,5,7-8,11-22,24-25H2,1-4,6H3/b10-9+/t27?,28?,29?,31-,32-,33?,34+,35-,36?,37?,38-,39-,40+,41+,42?,43+,44?/m0/s1","ZZNQQYSOWRXXJH-USMNZLHKSA-N",{"$nulls":3},">350000"]
["D10740",506,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326371","CC(CCN)C1CC1(C(O)=O)c1cn(cn1)-c1ccccc1","InChI=1S/C17H21N3O2/c1-12(7-8-18)14-9-17(14,16(21)22)15-10-20(11-19-15)13-5-3-2-4-6-13/h2-6,10-12,14H,7-9,18H2,1H3,(H,21,22)","LIFRHKYTAAVMDJ-UHFFFAOYSA-N",null,36]
["D10741",13712,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19275555","CC(CCN)C1CC1(C(O)=O)c1cn(cn1)-c1ccccc2","InChI=1S/C17H21N3O2/c1-12(7-8-18)14-9-17(14,16(21)22)15-10-20(11-19-15)13-5-3-2-4-6-13/h2-6,10-12,14H,7-9,18H2,1H3,(H,21,22)","LIFRHKYTAAVMDJ-UHFFFAOYSA-N",-16856.9052259367,68.1280474615454,33677.5323569497,{"$nulls":3},6.73731154613702]
["D10742",11523,"7lo4_B",0.3,"Spike protein S1","Dual specificity phosphatase Cdc25B","Mus musculus","BDM50104687","CC(CCOC(=O)c1c(O)oc(CO)c1O)CCC=C(C)C","InChI=1S/C16H24O6/c1-10(2)5-4-6-11(3)7-8-21-15(19)13-14(18)12(9-17)22-16(13)20/h5,11,17-18,20H,4,6-9H2,1-3H3","YSFDJTLHBLEHCG-UHFFFAOYSA-N",null,">125000"]
["D10743",4312,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66410","CC(CCc1ccccc1)NC(=O)c1ccc(NC(=O)c2ccccc2)cc1","InChI=1S/C24H24N2O2/c1-18(12-13-19-8-4-2-5-9-19)25-23(27)21-14-16-22(17-15-21)26-24(28)20-10-6-3-7-11-20/h2-11,14-18H,12-13H2,1H3,(H,25,27)(H,26,28)","UNCXONLHAFMEHP-UHFFFAOYSA-N",{"$nulls":3},43210]
["D10744",597,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144322","CC(CN)CCC(C(O)=O)c1cnc[nH]1","InChI=1S/C10H17N3O2/c1-7(4-11)2-3-8(10(14)15)9-5-12-6-13-9/h5-8H,2-4,11H2,1H3,(H,12,13)(H,14,15)","GNCKWAGRDBWVQA-UHFFFAOYSA-N",null,270]
["D10745",13803,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19293303","CC(CN)CCC(C(O)=O)c1cnc[nH]2","InChI=1S/C10H17N3O2/c1-7(4-11)2-3-8(10(14)15)9-5-12-6-13-9/h5-8H,2-4,11H2,1H3,(H,12,13)(H,14,15)","GNCKWAGRDBWVQA-UHFFFAOYSA-N",-26153.5001361715,397.342579421527,33735.270873739,{"$nulls":3},6.73735171097468]
["D10746",15807,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397764","CC(CO)N(C)C(=O)CNc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C21H24N6O3/c1-13(12-28)27(2)20(29)11-24-17-7-15(5-6-16(17)8-22)18-9-25-19(10-23-18)26-21(30)14-3-4-14/h5-7,9-10,13-14,24,28H,3-4,11-12H2,1-2H3,(H,25,26,30)","CPTDZMAQQKNOPQ-UHFFFAOYSA-N",null,50.1]
["D10747",18573,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Oryctolagus cuniculus","BDM50016413","CC(CO)[C@@]1(O)[C@@H](OC(=O)c2ccc[nH]2)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@]14C","InChI=1S/C25H35NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-7,10,12-13,15,17,26-27,29-33H,8-9,11H2,1-5H3/t13-,15-,17-,18+,19-,20+,21+,22-,23-,24-,25-/m1/s1","JJSYXNQGLHBRRK-CGOJJFMYSA-N",null,88]
["D10748",16021,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245946","CC(N(C)C)C(=O)Nc1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1","InChI=1S/C24H26FN9O/c1-15(33(2)3)23(35)32-21-5-4-19(13-28-21)30-24-27-8-6-20(31-24)17-10-16(11-26)22(29-12-17)34-9-7-18(25)14-34/h4-6,8,10,12-13,15,18H,7,9,14H2,1-3H3,(H,27,30,31)(H,28,32,35)/t15?,18-/m0/s1","DSZZCMNXPZMQNP-PKHIMPSTSA-N",null,"<100",{"$nulls":4},7.5]
["D10749",16006,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246064","CC(N(C)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1)C(N)=O","InChI=1S/C24H27N9O2/c1-16(22(26)34)32(2)23-17(12-25)11-18(13-29-23)21-5-6-27-24(31-21)30-19-3-4-20(28-14-19)15-33-7-9-35-10-8-33/h3-6,11,13-14,16H,7-10,15H2,1-2H3,(H2,26,34)(H,27,30,31)","HTEWKSAPNYLCKR-UHFFFAOYSA-N",null,"<100",{"$nulls":4},7.5]
["D10750",16064,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246051","CC(N)C(=O)Nc1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1","InChI=1S/C22H22FN9O/c1-13(25)21(33)31-19-3-2-17(11-27-19)29-22-26-6-4-18(30-22)15-8-14(9-24)20(28-10-15)32-7-5-16(23)12-32/h2-4,6,8,10-11,13,16H,5,7,12,25H2,1H3,(H,26,29,30)(H,27,31,33)/t13?,16-/m0/s1","GPDRDNWHAYFRDI-VYIIXAMBSA-N",null,"<100",{"$nulls":4},7.5]
["D10751",18294,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478846","CC(N1CCN(CC1)C(=O)C(C)(C)O)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N2CCCC2)c1",{"$nulls":3},2.7]
["D10752",15928,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478840","CC(N1CCN(CC1)C(=O)C(C)(C)O)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2nc(C)no2)c1",{"$nulls":3},73]
["D10753",14452,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478845","CC(N1CCN(CC1)C(=O)C1(C)CC1(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N2CCCC2)c1",{"$nulls":3},0.86]
["D10754",15374,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478877","CC(N1CCN(CC1)C(=O)C1(CC1)C(F)(F)F)c1ccnc(Nc2nc3ccc(-c4cc(C)ncn4)c(F)c3[nH]2)c1",{"$nulls":3},20.9]
["D10755",16307,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478881","CC(N1CCN(CC1)C(=O)C1(CC1)C(F)(F)F)c1ccnc(Nc2nc3ccc(-c4cc(ncn4)C(F)(F)F)c(F)c3[nH]2)c1",{"$nulls":3},149]
["D10756",15833,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478861","CC(N1CCN(CC1)C(=O)C1(CC1)C(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(OCC(F)(F)C(F)(F)F)ncn2)c1",{"$nulls":3},54.2]
["D10757",15089,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478849","CC(N1CCN(CC1)C(=O)C1(CC1)C(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(OCC(F)(F)F)ncn2)c1",{"$nulls":3},10.9]
["D10758",14852,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478930","CC(N1CCN(CC1)C(=O)C1(CC1)C(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N(C)CC2CC2)c1",{"$nulls":3},6.46]
["D10759",14449,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478854","CC(N1CCN(CC1)C(=O)C1(CC1)C(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N2CC(C2)C(F)(F)F)c1",{"$nulls":3},0.832]
["D10760",14981,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478722","CC(N1CCN(CC1)C(=O)C1(CC1)C(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N2CC(F)(F)C2)c1",{"$nulls":3},1]
["D10761",14446,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478843","CC(N1CCN(CC1)C(=O)C1(CC1)C(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N2CCCC2)c1",{"$nulls":3},0.819]
["D10762",18288,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478729","CC(N1CCN(CC1)C(=O)C1(CC1)C(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N2CCOCC2)c1",{"$nulls":3},2.6]
["D10763",15391,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478838","CC(N1CCN(CC1)C(=O)C1(CC1)C(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2nc(C)no2)c1",{"$nulls":3},21.7]
["D10764",14846,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478850","CC(N1CCN(CC1)C(=O)C1CC1(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(OCC(F)(F)F)ncn2)c1",{"$nulls":3},6.35]
["D10765",14424,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478844","CC(N1CCN(CC1)C(=O)C1CC1(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N2CCCC2)c1",{"$nulls":3},0.473]
["D10766",15327,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478839","CC(N1CCN(CC1)C(=O)C1CC1(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2nc(C)no2)c1",{"$nulls":3},18.1]
["D10767",15933,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478648","CC(N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(-c4cc(C)ncn4)c(Cl)c3[nH]2)c1",{"$nulls":3},76]
["D10768",15258,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478876","CC(N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(-c4cc(C)ncn4)c(F)c3[nH]2)c1",{"$nulls":3},15]
["D10769",15816,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478880","CC(N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(-c4cc(ncn4)C(F)(F)F)c(F)c3[nH]2)c1",{"$nulls":3},50.6]
["D10770",14440,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478583","CC(N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(-c4cnn(CC5CC5(F)F)c4)c(Cl)c3[nH]2)c1",{"$nulls":3},0.73]
["D10771",15565,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478621","CC(N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(-c4cnn(CC5CC5(F)F)c4)c(F)c3[nH]2)c1",{"$nulls":3},1.5]
["D10772",15517,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478736","CC(N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(-c4cnn(CC5CC5)c4)c(Cl)c3[nH]2)c1",{"$nulls":3},1.1]
["D10773",16075,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478733","CC(N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(-c4cnn(CC5CC5)c4)c(F)c3[nH]2)c1",{"$nulls":3},1.6]
["D10774",14455,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478594","CC(N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(-c4cnn(CC5CCC5)c4)c(Cl)c3[nH]2)c1",{"$nulls":3},0.88]
["D10775",18305,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478873","CC(N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(-c4cnn(CC5CCC5)c4)c(F)c3[nH]2)c1",{"$nulls":3},2.85]
["D10776",14573,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478428","CC(N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(C)ncn2)c1",{"$nulls":3},3.73]
["D10777",16525,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478629","CC(N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(C)nn2C)c1",{"$nulls":3},320]
["D10778",16094,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478857","CC(N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(OCC(C)(F)F)ncn2)c1",{"$nulls":3},1.79]
["D10779",15388,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478860","CC(N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(OCC(F)(F)C(F)(F)F)ncn2)c1",{"$nulls":3},21.1]
["D10780",14784,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478848","CC(N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(OCC(F)(F)F)ncn2)c1",{"$nulls":3},5.93]
["D10781",14560,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478419","CC(N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)C(F)(F)F)c1",{"$nulls":3},3.47]
["D10782",14540,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478884","CC(N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)C(F)F)c1",{"$nulls":3},3.26]
["D10783",16633,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478651","CC(N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N(C)C)c1",{"$nulls":3},2]
["D10784",14429,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478853","CC(N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N2CC(C2)C(F)(F)F)c1",{"$nulls":3},0.558]
["D10785",14442,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478720","CC(N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N2CC(F)(F)C2)c1",{"$nulls":3},0.76]
["D10786",14433,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478719","CC(N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N2CCC2)c1",{"$nulls":3},0.62]
["D10787",14423,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478724","CC(N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N2CCCC2)c1",{"$nulls":3},0.33]
["D10788",14544,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478727","CC(N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N2CCOCC2)c1",{"$nulls":3},3.3]
["D10789",16853,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478626","CC(N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(nn2C)C(F)(F)F)c1",{"$nulls":3},990]
["D10790",15029,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478388","CC(N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2ccnc(C)n2)c1",{"$nulls":3},9.19]
["D10791",18280,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478373","CC(N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2ccncn2)c1",{"$nulls":3},2.42]
["D10792",15444,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478739","CC(N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2ccnn2C)c1",{"$nulls":3},26]
["D10793",16632,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478623","CC(N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cnn(CC(F)F)c2)c1",{"$nulls":3},2]
["D10794",15295,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478870","CC(N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cnn(CC3CC(F)(F)C3)c2)c1",{"$nulls":3},16.6]
["D10795",16635,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478577","CC(N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cnn(CC3CC3(C)C)c2)c1",{"$nulls":3},2]
["D10796",14430,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478542","CC(N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cnn(CC3CC3(F)F)c2)c1",{"$nulls":3},0.564]
["D10797",16081,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478495","CC(N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cnn(CC3CC3)c2)c1",{"$nulls":3},1.66]
["D10798",18287,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478551","CC(N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cnn(CC3CCC3)c2)c1",{"$nulls":3},2.59]
["D10799",15759,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478349","CC(N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2nc(C)no2)c1",{"$nulls":3},43.1]
["D10800",14905,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478427","CC(N1CCN(CC1)C(=O)C1CCC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(C)ncn2)c1",{"$nulls":3},7.86]
["D10801",15286,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478389","CC(N1CCN(CC1)C(=O)C1CCC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2ccnc(C)n2)c1",{"$nulls":3},16.1]
["D10802",14559,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478372","CC(N1CCN(CC1)C(=O)C1CCC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2ccncn2)c1",{"$nulls":3},3.44]
["D10803",15139,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478875","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(-c4cc(C)ncn4)c(F)c3[nH]2)c1",{"$nulls":3},12.1]
["D10804",15938,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478879","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(-c4cc(ncn4)C(F)(F)F)c(F)c3[nH]2)c1",{"$nulls":3},77.1]
["D10805",14456,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478582","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(-c4cnn(CC5CC5(F)F)c4)c(Cl)c3[nH]2)c1",{"$nulls":3},0.88]
["D10806",17751,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478620","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(-c4cnn(CC5CC5(F)F)c4)c(F)c3[nH]2)c1",{"$nulls":3},2.1]
["D10807",15524,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478735","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(-c4cnn(CC5CC5)c4)c(Cl)c3[nH]2)c1",{"$nulls":3},1.2]
["D10808",18284,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478732","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(-c4cnn(CC5CC5)c4)c(F)c3[nH]2)c1",{"$nulls":3},2.5]
["D10809",15553,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478593","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(-c4cnn(CC5CCC5)c4)c(Cl)c3[nH]2)c1",{"$nulls":3},1.4]
["D10810",14785,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478872","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(-c4cnn(CC5CCC5)c4)c(F)c3[nH]2)c1",{"$nulls":3},5.95]
["D10811",15767,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478647","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(c(Cl)c3[nH]2)-c2cc(C)ncn2)c1",{"$nulls":3},44]
["D10812",15906,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478589","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2c(C)cnn2C)c1",{"$nulls":3},67]
["D10813",15301,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478730","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2c(C)nn(CC3CC3)c2C)c1",{"$nulls":3},17]
["D10814",14681,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478426","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(C)ncn2)c1",{"$nulls":3},4.46]
["D10815",16668,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478628","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(C)nn2C)c1",{"$nulls":3},450]
["D10816",16087,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478856","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(OCC(C)(F)F)ncn2)c1",{"$nulls":3},1.71]
["D10817",15373,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478859","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(OCC(F)(F)C(F)(F)F)ncn2)c1",{"$nulls":3},20.5]
["D10818",14860,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478847","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(OCC(F)(F)F)ncn2)c1",{"$nulls":3},6.69]
["D10819",16095,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478618","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(OCC3CC3)ncn2)c1",{"$nulls":3},1.8]
["D10820",14567,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478883","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)C(F)F)c1",{"$nulls":3},3.63]
["D10821",16066,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478652","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N(C)C)c1",{"$nulls":3},1.5]
["D10822",14465,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478852","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N2CC(C2)C(F)(F)F)c1",{"$nulls":3},0.943]
["D10823",15535,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478721","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N2CC(F)(F)C2)c1",{"$nulls":3},1.3]
["D10824",14441,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478718","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N2CCC2)c1",{"$nulls":3},0.76]
["D10825",14426,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478725","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N2CCCC2)c1",{"$nulls":3},0.49]
["D10826",15551,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478728","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N2CCOCC2)c1",{"$nulls":3},1.4]
["D10827",16834,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478625","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(nn2C)C(F)(F)F)c1",{"$nulls":3},860]
["D10828",15147,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478390","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2ccnc(C)n2)c1",{"$nulls":3},12.4]
["D10829",18281,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478374","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2ccncn2)c1",{"$nulls":3},2.47]
["D10830",15688,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478738","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2ccnn2C)c1",{"$nulls":3},35]
["D10831",18270,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478622","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cnn(CC(F)F)c2)c1",{"$nulls":3},2.3]
["D10832",14434,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478581","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cnn(CC3(Cl)CC3)c2)c1",{"$nulls":3},0.64]
["D10833",15116,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478869","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cnn(CC3CC(F)(F)C3)c2)c1",{"$nulls":3},11.6]
["D10834",18306,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478576","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cnn(CC3CC3(C)C)c2)c1",{"$nulls":3},2.9]
["D10835",14439,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478571","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cnn(CC3CC3(F)F)c2)c1",{"$nulls":3},0.72]
["D10836",16097,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478494","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cnn(CC3CC3)c2)c1",{"$nulls":3},1.8]
["D10837",18291,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478544","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cnn(CC3CC3C)c2)c1",{"$nulls":3},2.63]
["D10838",14898,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478552","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cnn(CC3CCC3)c2)c1",{"$nulls":3},7.56]
["D10839",14755,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478871","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cnn(C[C@@H]3CC3(Cl)Cl)c2)c1",{"$nulls":3},5.21]
["D10840",15666,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478348","CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2nc(C)no2)c1",{"$nulls":3},33]
["D10841",15042,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478429","CC(N1CCN(CC1)C(=O)CC1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(C)ncn2)c1",{"$nulls":3},9.35]
["D10842",15203,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478391","CC(N1CCN(CC1)C(=O)CC1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2ccnc(C)n2)c1",{"$nulls":3},14.4]
["D10843",17661,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478624","CC(N1CCN(CC1)C(=O)OC(C)(C)C)c1ccnc(Nc2nc3cc(ccc3[nH]2)-c2cc(nn2C)C(F)(F)F)c1",{"$nulls":3},11000]
["D10844",16157,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478646","CC(N1CCN(CC1)C(=O)OC(C)(C)C)c1ccnc(Nc2nc3ccc(-c4cc(C)ncn4)c(Cl)c3[nH]2)c1",{"$nulls":3},100]
["D10845",15733,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478874","CC(N1CCN(CC1)C(=O)OC(C)(C)C)c1ccnc(Nc2nc3ccc(-c4cc(C)ncn4)c(F)c3[nH]2)c1",{"$nulls":3},39.8]
["D10846",16578,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478878","CC(N1CCN(CC1)C(=O)OC(C)(C)C)c1ccnc(Nc2nc3ccc(-c4cc(ncn4)C(F)(F)F)c(F)c3[nH]2)c1",{"$nulls":3},396]
["D10847",15094,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478619","CC(N1CCN(CC1)C(=O)OC(C)(C)C)c1ccnc(Nc2nc3ccc(-c4cnn(CC5CC5(F)F)c4)c(F)c3[nH]2)c1",{"$nulls":3},11]
["D10848",15038,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478734","CC(N1CCN(CC1)C(=O)OC(C)(C)C)c1ccnc(Nc2nc3ccc(-c4cnn(CC5CC5)c4)c(Cl)c3[nH]2)c1",{"$nulls":3},9.3]
["D10849",15096,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478731","CC(N1CCN(CC1)C(=O)OC(C)(C)C)c1ccnc(Nc2nc3ccc(-c4cnn(CC5CC5)c4)c(F)c3[nH]2)c1",{"$nulls":3},11]
["D10850",15355,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478592","CC(N1CCN(CC1)C(=O)OC(C)(C)C)c1ccnc(Nc2nc3ccc(-c4cnn(CC5CCC5)c4)c(Cl)c3[nH]2)c1",{"$nulls":3},20]
["D10851",16753,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478627","CC(N1CCN(CC1)C(=O)OC(C)(C)C)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(C)nn2C)c1",{"$nulls":3},610]
["D10852",14771,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478616","CC(N1CCN(CC1)C(=O)OC(C)(C)C)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(Cl)ncn2)c1",{"$nulls":3},5.7]
["D10853",16493,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478858","CC(N1CCN(CC1)C(=O)OC(C)(C)C)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(OCC(F)(F)C(F)(F)F)ncn2)c1",{"$nulls":3},300]
["D10854",15189,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478617","CC(N1CCN(CC1)C(=O)OC(C)(C)C)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(OCC3CC3)ncn2)c1",{"$nulls":3},14]
["D10855",15107,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478882","CC(N1CCN(CC1)C(=O)OC(C)(C)C)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)C(F)F)c1",{"$nulls":3},11.1]
["D10856",14762,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478851","CC(N1CCN(CC1)C(=O)OC(C)(C)C)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N2CC(C2)C(F)(F)F)c1",{"$nulls":3},5.48]
["D10857",15550,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478717","CC(N1CCN(CC1)C(=O)OC(C)(C)C)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N2CCC2)c1",{"$nulls":3},1.4]
["D10858",16636,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478723","CC(N1CCN(CC1)C(=O)OC(C)(C)C)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N2CCCC2)c1",{"$nulls":3},2]
["D10859",14906,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478726","CC(N1CCN(CC1)C(=O)OC(C)(C)C)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N2CCOCC2)c1",{"$nulls":3},7.9]
["D10860",15697,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478737","CC(N1CCN(CC1)C(=O)OC(C)(C)C)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2ccnn2C)c1",{"$nulls":3},36]
["D10861",14904,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478545","CC(N1CCN(CC1)C(=O)OC(C)(C)C)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cn[nH]c2)c1","InChI=1S/C26H30N8O2/c1-17(33-9-11-34(12-10-33)25(35)36-26(2,3)4)18-7-8-27-23(14-18)32-24-30-21-6-5-19(13-22(21)31-24)20-15-28-29-16-20/h5-8,13-17H,9-12H2,1-4H3,(H,27,31,32)","PZQNVIYAQGHKTM-UHFFFAOYSA-N",null,7.83]
["D10862",15446,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478578","CC(N1CCN(CC1)C(=O)OC(C)(C)C)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cnn(CC3(C)CC3)c2)c1",{"$nulls":3},26]
["D10863",15126,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478580","CC(N1CCN(CC1)C(=O)OC(C)(C)C)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cnn(CC3(Cl)CC3)c2)c1",{"$nulls":3},12]
["D10864",15786,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478575","CC(N1CCN(CC1)C(=O)OC(C)(C)C)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cnn(CC3CC3(C)C)c2)c1",{"$nulls":3},46]
["D10865",14662,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478540","CC(N1CCN(CC1)C(=O)OC(C)(C)C)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cnn(CC3CC3(F)F)c2)c1",{"$nulls":3},4.05]
["D10866",14956,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478493","CC(N1CCN(CC1)C(=O)OC(C)(C)C)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cnn(CC3CC3)c2)c1",{"$nulls":3},8.61]
["D10867",15294,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478543","CC(N1CCN(CC1)C(=O)OC(C)(C)C)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cnn(CC3CC3C)c2)c1",{"$nulls":3},16.5]
["D10868",15202,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478549","CC(N1CCN(CC1)C(=O)OC(C)(C)C)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cnn(CC3CCC3)c2)c1",{"$nulls":3},14.2]
["D10869",16158,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478584","CC(N1CCN(CC1)C(=O)OC(C)(C)C)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cnn(CC3CCCC3)c2)c1",{"$nulls":3},100]
["D10870",16250,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478590","CC(N1CCN(CC1)C(=O)OC(C)(C)C)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cnn(c2)C(C)C2CC2)c1",{"$nulls":3},120]
["D10871",15963,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478347","CC(N1CCN(CC1)C(=O)OC(C)(C)C)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2nc(C)no2)c1",{"$nulls":3},82.5]
["D10872",16067,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478579","CC(N1CCN(CC1)C(=O)OC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cnn(CC3(C)CC3)c2)c1",{"$nulls":3},1.5]
["D10873",16107,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478550","CC(N1CCN(CC1)C(=O)OC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cnn(CC3CCC3)c2)c1",{"$nulls":3},1.88]
["D10874",14892,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478585","CC(N1CCN(CC1)C(=O)OC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cnn(CC3CCCC3)c2)c1",{"$nulls":3},7.1]
["D10875",15679,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478862","CC(N1CCN(CC1)C(=O)[C@@H]1CC1(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(OCC(F)(F)C(F)(F)F)ncn2)c1",{"$nulls":3},34.2]
["D10876",14431,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478855","CC(N1CCN(CC1)C(=O)[C@@H]1CC1(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N2CC(C2)C(F)(F)F)c1",{"$nulls":3},0.566]
["D10877",3884,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66806","CC(N1CCN(CC1)C(=O)c1ccccc1)C(=O)N(C)c1ccccc1","InChI=1S/C21H25N3O2/c1-17(20(25)22(2)19-11-7-4-8-12-19)23-13-15-24(16-14-23)21(26)18-9-5-3-6-10-18/h3-12,17H,13-16H2,1-2H3","QXWOBPBOTGKPFQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10878",32015,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67122","CC(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)Nc1ccc(F)c(F)c1","InChI=1S/C20H20F5N3O3S/c1-13(19(29)26-15-4-7-17(21)18(22)12-15)27-8-10-28(11-9-27)32(30,31)16-5-2-14(3-6-16)20(23,24)25/h2-7,12-13H,8-11H2,1H3,(H,26,29)","FTIVCSBRTRUYCE-UHFFFAOYSA-N",null,">55690"]
["D10879",32010,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67117","CC(N1CCN(CC1)S(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1","InChI=1S/C19H23N3O3S/c1-16(19(23)20-17-8-4-2-5-9-17)21-12-14-22(15-13-21)26(24,25)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3,(H,20,23)","WIIGESJLIPESNA-UHFFFAOYSA-N",null,">55690"]
["D10880",15503,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245960","CC(N1CCOCC1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1","InChI=1S/C26H28FN9O2/c1-17(35-8-10-38-11-9-35)25(37)34-23-3-2-21(15-30-23)32-26-29-6-4-22(33-26)19-12-18(13-28)24(31-14-19)36-7-5-20(27)16-36/h2-4,6,12,14-15,17,20H,5,7-11,16H2,1H3,(H,29,32,33)(H,30,34,37)/t17?,20-/m0/s1","WKFHRMVCGXFZJT-OZBJMMHXSA-N",null,"<30",{"$nulls":4},7.5]
["D10881",15236,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245999","CC(N1CCOCC1)c1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1","InChI=1S/C25H27FN8O/c1-17(33-8-10-35-11-9-33)22-3-2-21(15-29-22)31-25-28-6-4-23(32-25)19-12-18(13-27)24(30-14-19)34-7-5-20(26)16-34/h2-4,6,12,14-15,17,20H,5,7-11,16H2,1H3,(H,28,31,32)/t17?,20-/m0/s1","LBGWNJUYBIQASD-OZBJMMHXSA-N",null,"<15",{"$nulls":4},7.5]
["D10882",4617,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66565","CC(N=Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)c1ccc(NC(C)=O)cc1","InChI=1S/C23H26N8O2/c1-16(18-8-10-20(11-9-18)24-17(2)32)29-30-22-26-21(25-19-6-4-3-5-7-19)27-23(28-22)31-12-14-33-15-13-31/h3-11,16H,12-15H2,1-2H3,(H,24,32)(H,25,26,27,28)","QVKCPOVFXRPWTN-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10883",12010,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43141","CC(N=Nc1nc2ccccc2s1)c1ccc(Br)s1","InChI=1S/C13H10BrN3S2/c1-8(10-6-7-12(14)18-10)16-17-13-15-9-4-2-3-5-11(9)19-13/h2-8H,1H3","OEEBELIKFZUNPR-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D10884",16379,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397690","CC(NC(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C#N","InChI=1S/C19H18N8O2/c1-11(5-20)26-18(28)10-24-14-4-13(7-22-15(14)6-21)16-8-25-17(9-23-16)27-19(29)12-2-3-12/h4,7-9,11-12,24H,2-3,10H2,1H3,(H,26,28)(H,25,27,29)","VZAGYYNBFDSOHQ-UHFFFAOYSA-N",null,200]
["D10885",16442,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397693","CC(NC(=O)[C@H](C)Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C#N","InChI=1S/C20H20N8O2/c1-11(6-21)26-19(29)12(2)27-15-5-14(8-23-16(15)7-22)17-9-25-18(10-24-17)28-20(30)13-3-4-13/h5,8-13,27H,3-4H2,1-2H3,(H,26,29)(H,25,28,30)/t11?,12-/m0/s1","NPLPRMJSHWZIQJ-KIYNQFGBSA-N",null,251]
["D10886",14909,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397750","CC(NC(=O)[C@H](C)Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(F)F","InChI=1S/C20H21F2N7O2/c1-10(18(21)22)28-19(30)11(2)27-14-5-13(7-24-15(14)6-23)16-8-26-17(9-25-16)29-20(31)12-3-4-12/h5,7-12,18,27H,3-4H2,1-2H3,(H,28,30)(H,26,29,31)/t10?,11-/m0/s1","GYOUPGNCEDQXTM-DTIOYNMSSA-N",null,7.94]
["D10887",4004,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66907","CC(NC(=O)c1cc(F)c(F)c(F)c1F)c1ccc(cc1)-n1ccnc1","InChI=1S/C18H13F4N3O/c1-10(11-2-4-12(5-3-11)25-7-6-23-9-25)24-18(26)13-8-14(19)16(21)17(22)15(13)20/h2-10H,1H3,(H,24,26)","VAZWTRSVWFOPEK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10888",4023,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66925","CC(NC(=O)c1cccc(OC2CCN(CC2)C2CCN(C)CC2)c1)c1ccccc1","InChI=1S/C26H35N3O2/c1-20(21-7-4-3-5-8-21)27-26(30)22-9-6-10-25(19-22)31-24-13-17-29(18-14-24)23-11-15-28(2)16-12-23/h3-10,19-20,23-24H,11-18H2,1-2H3,(H,27,30)","ASMVYMMPTIHPFE-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10889",353,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81910","CC(NC(=S)N(Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O)c1ccccc1","InChI=1S/C25H25N3OS2/c1-17-10-11-23-20(13-17)14-21(24(29)27-23)15-28(16-22-9-6-12-31-22)25(30)26-18(2)19-7-4-3-5-8-19/h3-14,18H,15-16H2,1-2H3,(H,26,30)(H,27,29)","JRVSRQFBILPVCS-UHFFFAOYSA-N",1600]
["D10890",13559,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19245714","CC(NC(=S)N(Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O)c1ccccc2","InChI=1S/C25H25N3OS2/c1-17-10-11-23-20(13-17)14-21(24(29)27-23)15-28(16-22-9-6-12-31-22)25(30)26-18(2)19-7-4-3-5-8-19/h3-14,18H,15-16H2,1-2H3,(H,26,30)(H,27,29)","JRVSRQFBILPVCS-UHFFFAOYSA-N",-1226.36653070681,-133205.37518181,33580.4555100404,{"$nulls":3},6.73724401624513]
["D10891",31668,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50104295","CC(NCC1NCC(O)C1O)C(O)(c1ccccc1)c1ccccc1","InChI=1S/C20H26N2O3/c1-14(21-12-17-19(24)18(23)13-22-17)20(25,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17-19,21-25H,12-13H2,1H3","YKDIBSLOOWMSJH-UHFFFAOYSA-N",null,550000]
["D10892",15612,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246050","CC(NCc1ccccc1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1","InChI=1S/C29H28FN9O/c1-19(33-15-20-5-3-2-4-6-20)28(40)38-26-8-7-24(17-34-26)36-29-32-11-9-25(37-29)22-13-21(14-31)27(35-16-22)39-12-10-23(30)18-39/h2-9,11,13,16-17,19,23,33H,10,12,15,18H2,1H3,(H,32,36,37)(H,34,38,40)/t19?,23-/m0/s1","YSCOLOPYFYZWAA-BVHINDKJSA-N",null,"<30",{"$nulls":4},7.5]
["D10893",15151,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397634","CC(Nc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)C","InChI=1S/C20H22N6O2/c1-12(20(28)26(2)3)24-16-8-14(6-7-15(16)9-21)17-10-23-18(11-22-17)25-19(27)13-4-5-13/h6-8,10-13,24H,4-5H2,1-3H3,(H,23,25,27)","MXNYOKOBBMLJCE-UHFFFAOYSA-N",null,12.6]
["D10894",15358,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397674","CC(Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)CC#N","InChI=1S/C20H20N8O2/c1-12(20(30)28(2)6-5-21)26-15-7-14(9-23-16(15)8-22)17-10-25-18(11-24-17)27-19(29)13-3-4-13/h7,9-13,26H,3-4,6H2,1-2H3,(H,25,27,29)","PMXOTQLXGJYJTC-UHFFFAOYSA-N",null,20]
["D10895",15264,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397672","CC(Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)CC(F)(F)F","InChI=1S/C20H20F3N7O2/c1-11(19(32)30(2)10-20(21,22)23)28-14-5-13(7-25-15(14)6-24)16-8-27-17(9-26-16)29-18(31)12-3-4-12/h5,7-9,11-12,28H,3-4,10H2,1-2H3,(H,27,29,31)","CEPHVHPRBXXPBN-UHFFFAOYSA-N",null,15.8]
["D10896",15070,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397677","CC(Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)CC(F)F","InChI=1S/C20H21F2N7O2/c1-11(20(31)29(2)10-17(21)22)27-14-5-13(7-24-15(14)6-23)16-8-26-18(9-25-16)28-19(30)12-3-4-12/h5,7-9,11-12,17,27H,3-4,10H2,1-2H3,(H,26,28,30)","UIKVLJAGIQEXMH-UHFFFAOYSA-N",null,10]
["D10897",15359,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397678","CC(Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)CCF","InChI=1S/C20H22FN7O2/c1-12(20(30)28(2)6-5-21)26-15-7-14(9-23-16(15)8-22)17-10-25-18(11-24-17)27-19(29)13-3-4-13/h7,9-13,26H,3-6H2,1-2H3,(H,25,27,29)","AEKDMPHFVKHCPV-UHFFFAOYSA-N",null,20]
["D10898",16005,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246063","CC(Nc1ncc(cc1C#N)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1)C(N)=O","InChI=1S/C23H25N9O2/c1-15(21(25)33)29-22-16(11-24)10-17(12-28-22)20-4-5-26-23(31-20)30-18-2-3-19(27-13-18)14-32-6-8-34-9-7-32/h2-5,10,12-13,15H,6-9,14H2,1H3,(H2,25,33)(H,28,29)(H,26,30,31)","UURLASBXAPASGI-UHFFFAOYSA-N",null,"<100",{"$nulls":4},7.5]
["D10899",14854,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276841","CC(O)C(=O)N1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C31H31N5O4/c1-20(37)31(38)36-11-9-25(19-36)40-29-7-4-22(16-23(29)18-32)26-8-10-33-30-27(26)17-28(34-30)21-2-5-24(6-3-21)35-12-14-39-15-13-35/h2-8,10,16-17,20,25,37H,9,11-15,19H2,1H3,(H,33,34)/t20?,25-/m1/s1","ZTZIUAYGMJBGIE-GBAXHLBXSA-N",null,6.54,{"$nulls":4},7]
["D10900",15443,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277866","CC(O)C(=O)N1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C30H34N8O4/c1-20(39)29(40)38-9-8-26(16-38)42-27-7-2-21(14-22(27)15-31)28-32-19-33-30(35-28)34-23-3-5-24(6-4-23)36-10-12-37(13-11-36)25-17-41-18-25/h2-7,14,19-20,25-26,39H,8-13,16-18H2,1H3,(H,32,33,34,35)/t20?,26-/m1/s1","VHRGHGDLSYNJGT-NBXNUCLWSA-N",null,26]
["D10901",16265,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397765","CC(O)CN(C)C(=O)CNc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C21H24N6O3/c1-13(28)12-27(2)20(29)11-24-17-7-15(5-6-16(17)8-22)18-9-25-19(10-23-18)26-21(30)14-3-4-14/h5-7,9-10,13-14,24,28H,3-4,11-12H2,1-2H3,(H,25,26,30)","CUNRKHWYVQVTLR-UHFFFAOYSA-N",null,126]
["D10902",15644,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397741","CC(O)CN(CC(F)(F)F)C(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C21H22F3N7O3/c1-12(32)10-31(11-21(22,23)24)19(33)9-28-15-4-14(6-26-16(15)5-25)17-7-29-18(8-27-17)30-20(34)13-2-3-13/h4,6-8,12-13,28,32H,2-3,9-11H2,1H3,(H,29,30,34)","JINMKROJBRAGLD-UHFFFAOYSA-N",null,31.6]
["D10903",12150,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM82712","CC(O)Cc1c(C)c2cc(Cl)c(OCC(=O)Nc3cccc(c3)C(C)=O)cc2oc1=O","InChI=1S/C23H22ClNO6/c1-12(26)7-18-13(2)17-9-19(24)21(10-20(17)31-23(18)29)30-11-22(28)25-16-6-4-5-15(8-16)14(3)27/h4-6,8-10,12,26H,7,11H2,1-3H3,(H,25,28)","ZEOTTYLCJGDTHS-UHFFFAOYSA-N",null,6251]
["D10904",4244,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66248","CC(O)[C@H](NC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1)C(O)=O","InChI=1S/C21H30N2O6/c1-14(24)16(17(25)26)22-18(27)21(15-8-6-5-7-9-15)10-12-23(13-11-21)19(28)29-20(2,3)4/h5-9,14,16,24H,10-13H2,1-4H3,(H,22,27)(H,25,26)/t14?,16-/m0/s1","RRMAVULMYTWJOU-WMCAAGNKSA-N",{"$nulls":3},">350000"]
["D10905",15318,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478644","CC(O)c1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1",{"$nulls":3},18]
["D10906",15376,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478643","CC(O)c1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1",{"$nulls":3},21]
["D10907",3571,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565016","CC(O)c1cccc(c1)C1CCc2c(C1)cnn(-c1ccccn1)c2=O","InChI=1S/C21H21N3O2/c1-14(25)15-5-4-6-16(11-15)17-8-9-19-18(12-17)13-23-24(21(19)26)20-7-2-3-10-22-20/h2-7,10-11,13-14,17,25H,8-9,12H2,1H3","AOSJIIABAXWNSB-UHFFFAOYSA-N",null,750]
["D10908",4654,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66596","CC(OC(=O)CNC(=O)c1ccc(C)s1)C(=O)Nc1ccc(cc1)N(C)C","InChI=1S/C19H23N3O4S/c1-12-5-10-16(27-12)19(25)20-11-17(23)26-13(2)18(24)21-14-6-8-15(9-7-14)22(3)4/h5-10,13H,11H2,1-4H3,(H,20,25)(H,21,24)","PPAQLZBZMZEEPM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10909",4506,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66471","CC(OC(=O)\\C=C\\c1cn(nc1-c1cccnc1)-c1ccccc1)C(=O)Nc1ccc(NC(C)=O)cc1","InChI=1S/C28H25N5O4/c1-19(28(36)31-24-13-11-23(12-14-24)30-20(2)34)37-26(35)15-10-22-18-33(25-8-4-3-5-9-25)32-27(22)21-7-6-16-29-17-21/h3-19H,1-2H3,(H,30,34)(H,31,36)/b15-10+","YDKVJJAUDIXXIU-XNTDXEJSSA-N",{"$nulls":3},17150]
["D10910",12362,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42894","CC(OC(=O)c1cc2sccc2n1C)C(=O)NCc1cccs1","InChI=1S/C16H16N2O3S2/c1-10(15(19)17-9-11-4-3-6-22-11)21-16(20)13-8-14-12(18(13)2)5-7-23-14/h3-8,10H,9H2,1-2H3,(H,17,19)","JSVDJDZFCCPNLJ-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D10911",4676,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM31013","CC(OC(=O)c1ccc(OCc2c(C)noc2C)cc1)C(=O)Nc1ccc(cc1)N1CCOCC1","InChI=1S/C26H29N3O6/c1-17-24(18(2)35-28-17)16-33-23-10-4-20(5-11-23)26(31)34-19(3)25(30)27-21-6-8-22(9-7-21)29-12-14-32-15-13-29/h4-11,19H,12-16H2,1-3H3,(H,27,30)","PHZWBSTZHMMLTI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10912",32165,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43605","CC(OC(=O)c1cccnc1SCc1cc(=O)n2ccccc2n1)c1ccccn1","InChI=1S/C22H18N4O3S/c1-15(18-8-2-4-10-23-18)29-22(28)17-7-6-11-24-21(17)30-14-16-13-20(27)26-12-5-3-9-19(26)25-16/h2-13,15H,14H2,1H3","RAMFRUQUUHYKGX-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D10913",3770,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66379","CC(Oc1ccc(cc1)-c1nccc(n1)-c1ccccn1)C(=O)NN","InChI=1S/C18H17N5O2/c1-12(18(24)23-19)25-14-7-5-13(6-8-14)17-21-11-9-16(22-17)15-4-2-3-10-20-15/h2-12H,19H2,1H3,(H,23,24)","SPFDZMHEZXVGTG-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10914",4966,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM196933","CC(Oc1ccc(cc1)C(O)P(O)(=O)CC[C@@H](N)C(O)=O)C(O)=O","InChI=1S/C14H20NO8P/c1-8(12(16)17)23-10-4-2-9(3-5-10)14(20)24(21,22)7-6-11(15)13(18)19/h2-5,8,11,14,20H,6-7,15H2,1H3,(H,16,17)(H,18,19)(H,21,22)/t8?,11-,14?/m1/s1","APKUZALKBDSBHZ-IYXOAMITSA-N",{"$nulls":3},103000]
["D10915",4633,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66579","CC(Oc1ccccc1)C(=O)N1CCN=C1SCc1ccccc1","InChI=1S/C19H20N2O2S/c1-15(23-17-10-6-3-7-11-17)18(22)21-13-12-20-19(21)24-14-16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3","MYKAEFIROSUYOL-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10916",11973,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43106","CC(Sc1cc(cn2c1nc1sc(C)c(C)c1c2=O)C(=O)c1ccccc1O)C(O)=O","InChI=1S/C22H18N2O5S2/c1-10-11(2)31-20-17(10)21(27)24-9-13(18(26)14-6-4-5-7-15(14)25)8-16(19(24)23-20)30-12(3)22(28)29/h4-9,12,25H,1-3H3,(H,28,29)","HNXZUWDXGGHOKL-UHFFFAOYSA-N",{"$nulls":3},25950]
["D10917",4100,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66987","CC(Sc1nc(C)c(C)c(C)c1C#N)C(=O)NC1(CCCCC1)C#N","InChI=1S/C19H24N4OS/c1-12-13(2)16(10-20)18(22-14(12)3)25-15(4)17(24)23-19(11-21)8-6-5-7-9-19/h15H,5-9H2,1-4H3,(H,23,24)","QKGQIZXFYQNKMB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10918",4391,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66316","CC(Sc1nc(cc(n1)C(F)(F)F)-c1ccccc1)C(=O)N1CCCCC1","InChI=1S/C19H20F3N3OS/c1-13(17(26)25-10-6-3-7-11-25)27-18-23-15(14-8-4-2-5-9-14)12-16(24-18)19(20,21)22/h2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3","JJWFFRWHTYYLAQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10919",17996,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569981","CC(c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(F)(CO)CO4)cc3F)c12)C(F)(F)F",{"$nulls":3},">20000"]
["D10920",17998,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569983","CC(c1c[nH]c2nccc(Oc3c(F)cc(NC4=NC[C@@](F)(CO)CO4)cc3F)c12)C(F)(F)F",{"$nulls":3},">20000"]
["D10921",17997,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569982","CC(c1c[nH]c2nccc(Oc3c(F)cc(NC4=NC[C@](F)(CO)CO4)cc3F)c12)C(F)(F)F",{"$nulls":3},">20000"]
["D10922",4782,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66701","CC(c1ccccc1)n1c(CCCO)nc2ccccc12","InChI=1S/C18H20N2O/c1-14(15-8-3-2-4-9-15)20-17-11-6-5-10-16(17)19-18(20)12-7-13-21/h2-6,8-11,14,21H,7,12-13H2,1H3","IXKDNEGPEZPGGZ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10923",17647,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50208911","CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12","InChI=1S/C23H22N4O2/c1-23(2)17-13-24-22(25-14-7-4-3-5-8-14)26-20(17)27(21(23)29)18-12-11-16-15(18)9-6-10-19(16)28/h3-10,13,18,28H,11-12H2,1-2H3,(H,24,25,26)/t18-/m0/s1","XLFNLJYGUOLEJS-SFHVURJKSA-N",null,10000]
["D10924",14773,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276890","CC1(C)C(=O)Nc2cc(ccc12)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C29H26N4O3/c1-29(2)23-5-3-18(14-25(23)33-28(29)34)24-15-22-21(7-10-31-27(22)32-24)17-4-6-26(19(13-17)16-30)36-20-8-11-35-12-9-20/h3-7,10,13-15,20H,8-9,11-12H2,1-2H3,(H,31,32)(H,33,34)","XGSSYCIZEKTWPO-UHFFFAOYSA-N",null,5.76]
["D10925",16084,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277011","CC1(C)C(=O)Nc2cc(ccc12)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C28H25N5O3/c1-28(2)21-5-3-16(12-23(21)33-27(28)34)22-13-20-25(30-15-31-26(20)32-22)17-4-6-24(18(11-17)14-29)36-19-7-9-35-10-8-19/h3-6,11-13,15,19H,7-10H2,1-2H3,(H,33,34)(H,30,31,32)","FIISTVNCJUTUKH-UHFFFAOYSA-N",null,1.69]
["D10926",14629,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278056","CC1(C)C(=O)Nc2ccc(Nc3ncnc(n3)-c3ccc(OC4CCOCC4)c(c3)C#N)cc12","InChI=1S/C25H24N6O3/c1-25(2)19-12-17(4-5-20(19)30-23(25)32)29-24-28-14-27-22(31-24)15-3-6-21(16(11-15)13-26)34-18-7-9-33-10-8-18/h3-6,11-12,14,18H,7-10H2,1-2H3,(H,30,32)(H,27,28,29,31)","YFBHNTGOTRHQLM-UHFFFAOYSA-N",null,4]
["D10927",3867,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66791","CC1(C)C(Oc2ccc(O)cc12)N1CCOCC1","InChI=1S/C14H19NO3/c1-14(2)11-9-10(16)3-4-12(11)18-13(14)15-5-7-17-8-6-15/h3-4,9,13,16H,5-8H2,1-2H3","ACPKVLPHIUATOO-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10928",685,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197553","CC1(C)C2CCC1(C)C(C2)OC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C25H45N3O6S/c1-24(2)18-12-13-25(24,3)21(16-18)34-23(31)20(15-17-9-5-4-6-10-17)28-35(32,33)27-19(22(29)30)11-7-8-14-26/h17-21,27-28H,4-16,26H2,1-3H3,(H,29,30)/t18?,19-,20-,21?,25?/m0/s1","IGNKCFDUYAOGGL-VKTGUWLDSA-N",null,6400]
["D10929",392,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089751","CC1(C)C2CCC1(C)CC2NC(=O)C(CC1CCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C25H44N4O4/c1-24(2)17-11-12-25(24,3)15-20(17)27-21(30)19(14-16-8-4-5-9-16)29-23(33)28-18(22(31)32)10-6-7-13-26/h16-20H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)(H2,28,29,33)/t17?,18-,19?,20?,25?/m0/s1","AFDQLRFIAXCERE-UQGFRLLMSA-N",null,4]
["D10930",673,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089746","CC1(C)C2CCC1(C)CC2NC(=O)CNC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C19H34N4O4/c1-18(2)12-7-8-19(18,3)10-14(12)22-15(24)11-21-17(27)23-13(16(25)26)6-4-5-9-20/h12-14H,4-11,20H2,1-3H3,(H,22,24)(H,25,26)(H2,21,23,27)/t12?,13-,14?,19?/m0/s1","YGNRCDSARDVNRZ-NWRIMCLESA-N",null,3700]
["D10931",410,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089749","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C23H40N4O4/c1-22(2)15-9-10-23(22,3)13-18(15)25-19(28)17(12-14-7-8-14)27-21(31)26-16(20(29)30)6-4-5-11-24/h14-18H,4-13,24H2,1-3H3,(H,25,28)(H,29,30)(H2,26,27,31)/t15?,16-,17+,18?,23?/m0/s1","PFLUEQHIMCTTNI-PPFFOOAHSA-N",null,7]
["D10932",432,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089750","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C24H42N4O4/c1-23(2)16-10-11-24(23,3)14-19(16)26-20(29)18(13-15-7-6-8-15)28-22(32)27-17(21(30)31)9-4-5-12-25/h15-19H,4-14,25H2,1-3H3,(H,26,29)(H,30,31)(H2,27,28,32)/t16?,17-,18+,19?,24?/m0/s1","IUEFDVNIRHIKQG-CVYVEZKBSA-N",null,9]
["D10933",628,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089780","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(N)=O","InChI=1S/C26H47N5O3/c1-25(2)18-12-13-26(25,3)16-21(18)29-23(33)20(15-17-9-5-4-6-10-17)31-24(34)30-19(22(28)32)11-7-8-14-27/h17-21H,4-16,27H2,1-3H3,(H2,28,32)(H,29,33)(H2,30,31,34)/t18?,19-,20+,21?,26?/m0/s1","ASRHEUPBKKUJIH-HPIYHLJDSA-N",null,750]
["D10934",382,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089691","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C26H46N4O4/c1-25(2)18-12-13-26(25,3)16-21(18)28-22(31)20(15-17-9-5-4-6-10-17)30-24(34)29-19(23(32)33)11-7-8-14-27/h17-21H,4-16,27H2,1-3H3,(H,28,31)(H,32,33)(H2,29,30,34)/t18?,19-,20+,21?,26?/m0/s1","MARJTHQRTDYWGB-HPIYHLJDSA-N",null,3]
["D10935",465,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089752","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCN)C(O)=O","InChI=1S/C25H44N4O4/c1-24(2)17-11-12-25(24,3)15-20(17)27-21(30)19(14-16-8-5-4-6-9-16)29-23(33)28-18(22(31)32)10-7-13-26/h16-20H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)(H2,28,29,33)/t17?,18-,19+,20?,25?/m0/s1","DIMNQIOXFWXAEU-QNRKRJGYSA-N",null,18]
["D10936",390,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089756","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCNC(N)=N)C(O)=O","InChI=1S/C26H46N6O4/c1-25(2)17-11-12-26(25,3)15-20(17)30-21(33)19(14-16-8-5-4-6-9-16)32-24(36)31-18(22(34)35)10-7-13-29-23(27)28/h16-20H,4-15H2,1-3H3,(H,30,33)(H,34,35)(H4,27,28,29)(H2,31,32,36)/t17?,18-,19+,20?,26?/m0/s1","FRONFJPZPPGYAX-WKCFZQPLSA-N",null,4]
["D10937",555,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089757","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCONC(N)=N)C(O)=O","InChI=1S/C25H44N6O5/c1-24(2)16-9-11-25(24,3)14-19(16)28-20(32)18(13-15-7-5-4-6-8-15)30-23(35)29-17(21(33)34)10-12-36-31-22(26)27/h15-19H,4-14H2,1-3H3,(H,28,32)(H,33,34)(H4,26,27,31)(H2,29,30,35)/t16?,17-,18+,19?,25?/m0/s1","IHAGBLBQHAZSFU-STDKCPAXSA-N",null,100]
["D10938",511,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089754","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CS(=O)(=O)CCN)C(O)=O","InChI=1S/C25H44N4O6S/c1-24(2)17-9-10-25(24,3)14-19(17)27-21(30)18(13-16-7-5-4-6-8-16)28-23(33)29-20(22(31)32)15-36(34,35)12-11-26/h16-20H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)(H2,28,29,33)/t17?,18-,19?,20+,25?/m1/s1","NMYGKFJQKUMIDO-IFVPPNBGSA-N",null,38]
["D10939",456,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089742","CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](Cc1ccccc1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C26H40N4O4/c1-25(2)18-12-13-26(25,3)16-21(18)28-22(31)20(15-17-9-5-4-6-10-17)30-24(34)29-19(23(32)33)11-7-8-14-27/h4-6,9-10,18-21H,7-8,11-16,27H2,1-3H3,(H,28,31)(H,32,33)(H2,29,30,34)/t18?,19-,20+,21?,26?/m0/s1","AANQTNMGFYVHSF-HPIYHLJDSA-N",null,15]
["D10940",637,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089745","CC1(C)C2CCC1(C)CC2NC(=O)[C@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C1CCCCC1","InChI=1S/C25H44N4O4/c1-24(2)17-12-13-25(24,3)15-19(17)27-21(30)20(16-9-5-4-6-10-16)29-23(33)28-18(22(31)32)11-7-8-14-26/h16-20H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)(H2,28,29,33)/t17?,18-,19?,20+,25?/m0/s1","JGZDQIFIFHMKDO-QMXHKPFUSA-N",null,1000]
["D10941",13843,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19301104","CC1(C)C2CCC1(C)CC2NC(=O)[C@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C1CCCCC2","InChI=1S/C25H44N4O4/c1-24(2)17-12-13-25(24,3)15-19(17)27-21(30)20(16-9-5-4-6-10-16)29-23(33)28-18(22(31)32)11-7-8-14-26/h16-20H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)(H2,28,29,33)/t17?,18-,19?,20+,25?/m0/s2","JGZDQIFIFHMKDO-QMXHKPFUSA-N",-30239.9154813296,3202.56571363133,33760.6504415584,{"$nulls":3},6.73736936584838]
["D10942",383,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197573","CC1(C)C2CCC1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C26H46N4O4/c1-25(2)18-12-13-26(25,3)21(16-18)30-22(31)20(15-17-9-5-4-6-10-17)29-24(34)28-19(23(32)33)11-7-8-14-27/h17-21H,4-16,27H2,1-3H3,(H,30,31)(H,32,33)(H2,28,29,34)/t18?,19-,20-,21-,26?/m0/s1","AUFLFYNRNWZZKB-SONHOIRQSA-N",null,3]
["D10943",4413,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66332","CC1(C)CC(=O)c2cc3c(N)c(sc3nc2C1)C(=O)NCc1ccccc1","InChI=1S/C21H21N3O2S/c1-21(2)9-15-13(16(25)10-21)8-14-17(22)18(27-20(14)24-15)19(26)23-11-12-6-4-3-5-7-12/h3-8H,9-11,22H2,1-2H3,(H,23,26)","JFGBOZGTDOPJMV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10944",16796,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357886","CC1(C)CCC(=CC1)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O","InChI=1S/C21H20N2O4/c1-21(2)7-5-11(6-8-21)12-3-4-16-13(9-12)17(24)14-10-15(20(25)26)18(22)23-19(14)27-16/h3-5,9-10H,6-8H2,1-2H3,(H2,22,23)(H,25,26)","BRZUICWEJOOXOW-UHFFFAOYSA-N",null,740]
["D10945",411,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109256","CC1(C)CCCC(C1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C17H29N3O2/c1-17(2)7-3-6-15(10-17)20-11-14(19-12-20)9-13(16(21)22)5-4-8-18/h11-13,15H,3-10,18H2,1-2H3,(H,21,22)","ILWZFIDDSWMJSL-UHFFFAOYSA-N",null,7.5]
["D10946",13617,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B3","Homo sapiens","BDM19257026","CC1(C)CCCC(C1)n1cnc(CC(CCCN)C(O)=O)c2","InChI=1S/C17H29N3O2/c1-17(2)7-3-6-15(10-17)20-11-14(19-12-20)9-13(16(21)22)5-4-8-18/h11-13,15H,3-10,18H2,1-2H3,(H,21,22)","ILWZFIDDSWMJSL-UHFFFAOYSA-N",-7151.66878118611,41.4303086659953,33617.2558833786,{"$nulls":3},6.73726961581199]
["D10947",17962,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570036","CC1(C)CCN=C(Nc2cc(F)c(Oc3ccnc4[nH]cc(Cl)c34)c(F)c2)N1","InChI=1S/C19H18ClF2N5O/c1-19(2)4-6-24-18(27-19)26-10-7-12(21)16(13(22)8-10)28-14-3-5-23-17-15(14)11(20)9-25-17/h3,5,7-9H,4,6H2,1-2H3,(H,23,25)(H2,24,26,27)","SXKIASDBILNDEL-UHFFFAOYSA-N",null,">20000"]
["D10948",17972,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570046","CC1(C)CCN=C(Nc2cc(F)c(Oc3ccnc4[nH]cc(c34)C(F)(F)F)c(F)c2)N1","InChI=1S/C20H18F5N5O/c1-19(2)4-6-27-18(30-19)29-10-7-12(21)16(13(22)8-10)31-14-3-5-26-17-15(14)11(9-28-17)20(23,24)25/h3,5,7-9H,4,6H2,1-2H3,(H,26,28)(H2,27,29,30)","OEJKJJUFAJAXAC-UHFFFAOYSA-N",null,">20000"]
["D10949",14820,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277955","CC1(C)CN(CC(F)C1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)CO","InChI=1S/C32H37FN8O4/c1-32(2)19-41(28(43)16-42)15-26(33)29(32)45-27-8-3-21(13-22(27)14-34)30-35-20-36-31(38-30)37-23-4-6-24(7-5-23)39-9-11-40(12-10-39)25-17-44-18-25/h3-8,13,20,25-26,29,42H,9-12,15-19H2,1-2H3,(H,35,36,37,38)","ZWIZDCQAFLVPFU-UHFFFAOYSA-N",null,6]
["D10950",14632,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277952","CC1(C)CN(CCC1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)CO","InChI=1S/C32H38N8O4/c1-32(2)20-40(29(42)17-41)10-9-28(32)44-27-8-3-22(15-23(27)16-33)30-34-21-35-31(37-30)36-24-4-6-25(7-5-24)38-11-13-39(14-12-38)26-18-43-19-26/h3-8,15,21,26,28,41H,9-14,17-20H2,1-2H3,(H,34,35,36,37)","MYMZPFRDVOFCRC-UHFFFAOYSA-N",null,4]
["D10951",14633,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277953","CC1(C)CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)CO","InChI=1S/C32H38N8O4/c1-32(2)20-40(29(42)17-41)10-9-28(32)44-27-8-3-22(15-23(27)16-33)30-34-21-35-31(37-30)36-24-4-6-25(7-5-24)38-11-13-39(14-12-38)26-18-43-19-26/h3-8,15,21,26,28,41H,9-14,17-20H2,1-2H3,(H,34,35,36,37)/t28-/m0/s1","MYMZPFRDVOFCRC-NDEPHWFRSA-N",null,4]
["D10952",14522,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277954","CC1(C)CN(CC[C@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)CO","InChI=1S/C32H38N8O4/c1-32(2)20-40(29(42)17-41)10-9-28(32)44-27-8-3-22(15-23(27)16-33)30-34-21-35-31(37-30)36-24-4-6-25(7-5-24)38-11-13-39(14-12-38)26-18-43-19-26/h3-8,15,21,26,28,41H,9-14,17-20H2,1-2H3,(H,34,35,36,37)/t28-/m1/s1","MYMZPFRDVOFCRC-MUUNZHRXSA-N",null,3]
["D10953",17301,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278228","CC1(C)CN(C[C@@H](F)[C@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)CC#N","InChI=1S/C33H36FN9O3/c1-33(2)20-43(29(44)9-10-35)17-27(34)30(33)46-28-8-3-22(15-23(28)16-36)31-37-21-38-32(40-31)39-24-4-6-25(7-5-24)41-11-13-42(14-12-41)26-18-45-19-26/h3-8,15,21,26-27,30H,9,11-14,17-20H2,1-2H3,(H,37,38,39,40)/t27-,30-/m1/s1","NUBDSDZKTJMNAA-POURPWNDSA-N",null,3000,{"$nulls":4},7]
["D10954",17327,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278221","CC1(C)CN(C[C@@H](F)[C@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)CCO","InChI=1S/C33H39FN8O4/c1-33(2)20-42(29(44)9-14-43)17-27(34)30(33)46-28-8-3-22(15-23(28)16-35)31-36-21-37-32(39-31)38-24-4-6-25(7-5-24)40-10-12-41(13-11-40)26-18-45-19-26/h3-8,15,21,26-27,30,43H,9-14,17-20H2,1-2H3,(H,36,37,38,39)/t27-,30-/m1/s1","UENJGASBFBOBBJ-POURPWNDSA-N",null,3000,{"$nulls":4},7]
["D10955",14927,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277957","CC1(C)CN(C[C@@H](F)[C@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)CO","InChI=1S/C32H37FN8O4/c1-32(2)19-41(28(43)16-42)15-26(33)29(32)45-27-8-3-21(13-22(27)14-34)30-35-20-36-31(38-30)37-23-4-6-24(7-5-23)39-9-11-40(12-10-39)25-17-44-18-25/h3-8,13,20,25-26,29,42H,9-12,15-19H2,1-2H3,(H,35,36,37,38)/t26-,29-/m1/s1","ZWIZDCQAFLVPFU-GGXMVOPNSA-N",null,8]
["D10956",14744,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278223","CC1(C)CN(C[C@@H](F)[C@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)[C@@H]1CCC(=O)N1","InChI=1S/C35H40FN9O4/c1-35(2)20-45(33(47)28-8-10-30(46)41-28)17-27(36)31(35)49-29-9-3-22(15-23(29)16-37)32-38-21-39-34(42-32)40-24-4-6-25(7-5-24)43-11-13-44(14-12-43)26-18-48-19-26/h3-7,9,15,21,26-28,31H,8,10-14,17-20H2,1-2H3,(H,41,46)(H,38,39,40,42)/t27-,28+,31-/m1/s1","QGBNYRZRJSAUOB-CKIYMEHHSA-N",null,5]
["D10957",17326,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278220","CC1(C)CN(C[C@@H](F)[C@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1ccn[nH]1",{"$nulls":3},3000,{"$nulls":4},7]
["D10958",15689,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278227","CC1(C)CN(C[C@H](F)[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)CC#N","InChI=1S/C33H36FN9O3/c1-33(2)20-43(29(44)9-10-35)17-27(34)30(33)46-28-8-3-22(15-23(28)16-36)31-37-21-38-32(40-31)39-24-4-6-25(7-5-24)41-11-13-42(14-12-41)26-18-45-19-26/h3-8,15,21,26-27,30H,9,11-14,17-20H2,1-2H3,(H,37,38,39,40)/t27-,30-/m0/s1","NUBDSDZKTJMNAA-FIBWVYCGSA-N",null,35]
["D10959",17105,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277956","CC1(C)CN(C[C@H](F)[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)CO","InChI=1S/C32H37FN8O4/c1-32(2)19-41(28(43)16-42)15-26(33)29(32)45-27-8-3-21(13-22(27)14-34)30-35-20-36-31(38-30)37-23-4-6-24(7-5-23)39-9-11-40(12-10-39)25-17-44-18-25/h3-8,13,20,25-26,29,42H,9-12,15-19H2,1-2H3,(H,35,36,37,38)/t26-,29-/m0/s1","ZWIZDCQAFLVPFU-WNJJXGMVSA-N",null,2000,{"$nulls":4},7]
["D10960",15455,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278222","CC1(C)CN(C[C@H](F)[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)[C@@H]1CCC(=O)N1","InChI=1S/C35H40FN9O4/c1-35(2)20-45(33(47)28-8-10-30(46)41-28)17-27(36)31(35)49-29-9-3-22(15-23(29)16-37)32-38-21-39-34(42-32)40-24-4-6-25(7-5-24)43-11-13-44(14-12-43)26-18-48-19-26/h3-7,9,15,21,26-28,31H,8,10-14,17-20H2,1-2H3,(H,41,46)(H,38,39,40,42)/t27-,28-,31-/m0/s1","QGBNYRZRJSAUOB-QYDYLWNGSA-N",null,27]
["D10961",17961,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570035","CC1(C)CNC(Nc2cc(F)c(Oc3ccnc4[nH]cc(Cl)c34)c(F)c2)=NC1","InChI=1S/C19H18ClF2N5O/c1-19(2)8-25-18(26-9-19)27-10-5-12(21)16(13(22)6-10)28-14-3-4-23-17-15(14)11(20)7-24-17/h3-7H,8-9H2,1-2H3,(H,23,24)(H2,25,26,27)","XIJAZDYJFIFCKL-UHFFFAOYSA-N",null,">20000"]
["D10962",17971,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570045","CC1(C)CNC(Nc2cc(F)c(Oc3ccnc4[nH]cc(c34)C(F)(F)F)c(F)c2)=NC1","InChI=1S/C20H18F5N5O/c1-19(2)8-28-18(29-9-19)30-10-5-12(21)16(13(22)6-10)31-14-3-4-26-17-15(14)11(7-27-17)20(23,24)25/h3-7H,8-9H2,1-2H3,(H,26,27)(H2,28,29,30)","MDSJKYCNEIHYFH-UHFFFAOYSA-N",null,">20000"]
["D10963",15396,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278218","CC1(C)CNC[C@@H](F)[C@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C30H35FN8O2/c1-30(2)18-33-15-25(31)27(30)41-26-8-3-20(13-21(26)14-32)28-34-19-35-29(37-28)36-22-4-6-23(7-5-22)38-9-11-39(12-10-38)24-16-40-17-24/h3-8,13,19,24-25,27,33H,9-12,15-18H2,1-2H3,(H,34,35,36,37)/t25-,27-/m1/s1","UXLQQMOFPOHWLM-XNMGPUDCSA-N",null,22]
["D10964",25935,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM24773","CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12","InChI=1S/C22H23N5O/c1-22(2)14-26-19-12-16(5-6-18(19)22)27-21(28)17-4-3-9-24-20(17)25-13-15-7-10-23-11-8-15/h3-12,26H,13-14H2,1-2H3,(H,24,25)(H,27,28)","RAHBGWKEPAQNFF-UHFFFAOYSA-N",null,null,">10000"]
["D10965",17841,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569950","CC1(C)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(Cl)c34)c(F)c2)=NC1","InChI=1S/C19H17ClF2N4O2/c1-19(2)8-25-18(27-9-19)26-10-5-12(21)16(13(22)6-10)28-14-3-4-23-17-15(14)11(20)7-24-17/h3-7H,8-9H2,1-2H3,(H,23,24)(H,25,26)","LEKPQRKDXDQNPV-UHFFFAOYSA-N",null,">20000"]
["D10966",16684,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569970","CC1(C)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(c34)C(F)(F)F)c(F)c2)=NC1","InChI=1S/C20H17F5N4O2/c1-19(2)8-28-18(30-9-19)29-10-5-12(21)16(13(22)6-10)31-14-3-4-26-17-15(14)11(7-27-17)20(23,24)25/h3-7H,8-9H2,1-2H3,(H,26,27)(H,28,29)","YIZMQIQXFKIKSD-UHFFFAOYSA-N",null,480]
["D10967",596,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173894","CC1(C)COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C24H38N4O6/c1-24(2)16-33-13-5-6-14-34-18-10-8-17(9-11-18)15-20(21(29)28-24)27-23(32)26-19(22(30)31)7-3-4-12-25/h8-11,19-20H,3-7,12-16,25H2,1-2H3,(H,28,29)(H,30,31)(H2,26,27,32)/t19-,20+/m0/s1","FBMIZNMJBGCCDP-VQTJNVASSA-N",null,269,{"$nulls":4},7.4,"25.00 C"]
["D10968",13802,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B3","Homo sapiens","BDM19293108","CC1(C)COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc3","InChI=1S/C24H38N4O6/c1-24(2)16-33-13-5-6-14-34-18-10-8-17(9-11-18)15-20(21(29)28-24)27-23(32)26-19(22(30)31)7-3-4-12-25/h8-11,19-20H,3-7,12-16,25H2,1-2H3,(H,28,29)(H,30,31)(H2,26,27,32)/t19-,20+/m0/s2","FBMIZNMJBGCCDP-VQTJNVASSA-N",-26051.3397525425,392.953058321479,33734.6363845435,{"$nulls":3},6.73735126960284,"25.00 C"]
["D10969",18006,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569991","CC1(C)CSC(Nc2cc(F)c(Oc3ccnc4[nH]cc(Cl)c34)c(F)c2)=NC1","InChI=1S/C19H17ClF2N4OS/c1-19(2)8-25-18(28-9-19)26-10-5-12(21)16(13(22)6-10)27-14-3-4-23-17-15(14)11(20)7-24-17/h3-7H,8-9H2,1-2H3,(H,23,24)(H,25,26)","PUUOARNSRBZPIA-UHFFFAOYSA-N",null,">20000"]
["D10970",4161,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67045","CC1(C)C[C@H](O)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1","InChI=1S/C30H50O4/c1-25(2)14-19-18-8-9-21-27(5)12-11-22(32)26(3,4)20(27)10-13-28(21,6)29(18,7)16-24(34)30(19,17-31)23(33)15-25/h8,19-24,31-34H,9-17H2,1-7H3/t19-,20?,21?,22-,23-,24+,27-,28+,29+,30+/m0/s1","CTNHZEZBBGIUJB-CPJYFDKASA-N",{"$nulls":3},">350000"]
["D10971",11819,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42876","CC1(C)Cc2c(CO1)c(nc(SCC(=O)c1ccccc1)c2C#N)N1CCOCC1","InChI=1S/C23H25N3O3S/c1-23(2)12-17-18(13-24)22(30-15-20(27)16-6-4-3-5-7-16)25-21(19(17)14-29-23)26-8-10-28-11-9-26/h3-7H,8-12,14-15H2,1-2H3","GURONSBEPSPNLT-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D10972",12058,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM4208","CC1(C)Cc2c(ccc3ccccc23)C(=O)N1","InChI=1S/C15H15NO/c1-15(2)9-13-11-6-4-3-5-10(11)7-8-12(13)14(17)16-15/h3-8H,9H2,1-2H3,(H,16,17)","YARODWJTFQXXIT-UHFFFAOYSA-N",null,3211]
["D10973",31810,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43532","CC1(C)Cc2c(ccc3ccccc23)C2=C(C(=O)N3CCCC3)C(=O)C(=O)N12","InChI=1S/C23H22N2O3/c1-23(2)13-17-15-8-4-3-7-14(15)9-10-16(17)19-18(20(26)22(28)25(19)23)21(27)24-11-5-6-12-24/h3-4,7-10H,5-6,11-13H2,1-2H3","RXGBUQBDVWZDMM-UHFFFAOYSA-N",null,13330]
["D10974",4554,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM47770","CC1(C)OC(=O)C(=Cc2ccc(o2)-c2ccc(cc2)S(N)(=O)=O)C(=O)O1","InChI=1S/C17H15NO7S/c1-17(2)24-15(19)13(16(20)25-17)9-11-5-8-14(23-11)10-3-6-12(7-4-10)26(18,21)22/h3-9H,1-2H3,(H2,18,21,22)","WAJBQQZCOOAKIG-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D10975",17598,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50235816","CC1(C)OCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12","InChI=1S/C19H18F3N5O3/c1-18(2)11-4-3-10(7-13(11)25-14(28)8-30-18)24-17-26-12-5-6-29-15(12)16(27-17)23-9-19(20,21)22/h3-7H,8-9H2,1-2H3,(H,25,28)(H2,23,24,26,27)","IGRYEDIMNMEBBU-UHFFFAOYSA-N",null,7610]
["D10976",31918,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50190106","CC1(C)Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(Cl)c(Cl)c1","InChI=1S/C18H16Cl2N6S/c1-18(2)15(9-6-7-11(19)12(20)8-9)25-26-16(23-24-17(26)27-18)14-10-4-3-5-13(10)21-22-14/h6-8H,3-5H2,1-2H3,(H,21,22)","OAVBVPBWKZMCDP-UHFFFAOYSA-N",null,">50000"]
["D10977",25791,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Beta-lactamase 1","Bacillus cereus","BDBM50021954","CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O","InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1","FKENQMMABCRJMK-RITPCOANSA-N",null,25000]
["D10978",25794,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Beta-lactamase 1","Bacillus cereus","BDBM50285121","CC1(C)[C@@H](N2[C@@H]([C@@H](Cl)C2=O)S1(=O)=O)C(O)=O","InChI=1S/C8H10ClNO5S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)16(8,14)15/h3-4,6H,1-2H3,(H,12,13)/t3-,4-,6+/m0/s1","FDCNRFPOQKKBGS-RVJQKOHUSA-N",null,200000]
["D10979",541,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197549","CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C25H46N4O5S/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26/h17-21,28-29H,4-16,26H2,1-3H3,(H,27,30)(H,31,32)/t18-,19+,20+,21-,25+/m1/s1","IQHARPQKKWCGEY-ZJTKBAOVSA-N",null,69]
["D10980",744,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197532","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C1CCCCC1","InChI=1S/C24H44N4O5S/c1-23(2)17-12-13-24(23,3)19(15-17)26-21(29)20(16-9-5-4-6-10-16)28-34(32,33)27-18(22(30)31)11-7-8-14-25/h16-20,27-28H,4-15,25H2,1-3H3,(H,26,29)(H,30,31)/t17-,18+,19+,20+,24+/m1/s1","GIPPBCDUHJCGNM-LJTNYMJHSA-N",null,47000]
["D10981",594,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197555","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C22H40N4O5S/c1-21(2)15-9-10-22(21,3)18(13-15)24-19(27)17(12-14-7-8-14)26-32(30,31)25-16(20(28)29)6-4-5-11-23/h14-18,25-26H,4-13,23H2,1-3H3,(H,24,27)(H,28,29)/t15-,16+,17+,18+,22+/m1/s1","NMXBBBBKSIKPCR-JVOBEXOSSA-N",null,230]
["D10982",602,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197575","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C23H42N4O5S/c1-22(2)16-10-11-23(22,3)19(14-16)25-20(28)18(13-15-7-6-8-15)27-33(31,32)26-17(21(29)30)9-4-5-12-24/h15-19,26-27H,4-14,24H2,1-3H3,(H,25,28)(H,29,30)/t16-,17+,18+,19+,23+/m1/s1","XCBZCAGPFKZFDD-KYGACCNGSA-N",null,360]
["D10983",549,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197576","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C24H44N4O5S/c1-23(2)17-11-12-24(23,3)20(15-17)26-21(29)19(14-16-8-4-5-9-16)28-34(32,33)27-18(22(30)31)10-6-7-13-25/h16-20,27-28H,4-15,25H2,1-3H3,(H,26,29)(H,30,31)/t17-,18+,19+,20+,24+/m1/s1","XZBPLRVPQOOLLT-LJTNYMJHSA-N",null,81]
["D10984",727,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197529","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CC1CCC(N)CC1)C(O)=O","InChI=1S/C28H50N4O5S/c1-27(2)20-13-14-28(27,3)24(17-20)30-25(33)22(15-18-7-5-4-6-8-18)31-38(36,37)32-23(26(34)35)16-19-9-11-21(29)12-10-19/h18-24,31-32H,4-17,29H2,1-3H3,(H,30,33)(H,34,35)/t19?,20-,21?,22+,23+,24+,28+/m1/s1","ZUVKLOWIUQUADU-MMFKTKKRSA-N",null,">30000"]
["D10985",632,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197572","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CC1CCNCC1)C(O)=O","InChI=1S/C27H48N4O5S/c1-26(2)20-9-12-27(26,3)23(17-20)29-24(32)21(15-18-7-5-4-6-8-18)30-37(35,36)31-22(25(33)34)16-19-10-13-28-14-11-19/h18-23,28,30-31H,4-17H2,1-3H3,(H,29,32)(H,33,34)/t20-,21+,22+,23+,27+/m1/s1","LTLYKPLPFHCOED-BXOWXZKISA-N",null,880]
["D10986",722,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197547","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCC(N)=O)C(O)=O","InChI=1S/C25H44N4O6S/c1-24(2)17-12-13-25(24,3)20(15-17)27-22(31)19(14-16-8-5-4-6-9-16)29-36(34,35)28-18(23(32)33)10-7-11-21(26)30/h16-20,28-29H,4-15H2,1-3H3,(H2,26,30)(H,27,31)(H,32,33)/t17-,18+,19+,20+,25+/m1/s1","DKUDMGHEJNAILF-PDGNJTGUSA-N",null,">30000"]
["D10987",443,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197580","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C25H46N4O5S/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26/h17-21,28-29H,4-16,26H2,1-3H3,(H,27,30)(H,31,32)/t18-,19+,20+,21+,25+/m1/s1","IQHARPQKKWCGEY-PHGOAHNDSA-N",null,12]
["D10988",723,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197546","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCNC(N)=O)C(O)=O","InChI=1S/C26H47N5O6S/c1-25(2)18-12-13-26(25,3)21(16-18)29-22(32)20(15-17-9-5-4-6-10-17)31-38(36,37)30-19(23(33)34)11-7-8-14-28-24(27)35/h17-21,30-31H,4-16H2,1-3H3,(H,29,32)(H,33,34)(H3,27,28,35)/t18-,19+,20+,21+,26+/m1/s1","ZGYPRMDALXFDCP-QDKCGITRSA-N",null,">30000"]
["D10989",726,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197535","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCO)C(O)=O","InChI=1S/C25H45N3O6S/c1-24(2)18-12-13-25(24,3)21(16-18)26-22(30)20(15-17-9-5-4-6-10-17)28-35(33,34)27-19(23(31)32)11-7-8-14-29/h17-21,27-29H,4-16H2,1-3H3,(H,26,30)(H,31,32)/t18-,19+,20+,21+,25+/m1/s1","JGBKTEBOXQKXIS-PHGOAHNDSA-N",null,">30000"]
["D10990",643,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197558","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCN)C(O)=O","InChI=1S/C24H44N4O5S/c1-23(2)17-11-12-24(23,3)20(15-17)26-21(29)19(14-16-8-5-4-6-9-16)28-34(32,33)27-18(22(30)31)10-7-13-25/h16-20,27-28H,4-15,25H2,1-3H3,(H,26,29)(H,30,31)/t17-,18+,19+,20+,24+/m1/s1","UFLJZTNISDJMGN-LJTNYMJHSA-N",null,1100]
["D10991",522,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197542","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCNC(N)=N)C(O)=O","InChI=1S/C25H46N6O5S/c1-24(2)17-11-12-25(24,3)20(15-17)29-21(32)19(14-16-8-5-4-6-9-16)31-37(35,36)30-18(22(33)34)10-7-13-28-23(26)27/h16-20,30-31H,4-15H2,1-3H3,(H,29,32)(H,33,34)(H4,26,27,28)/t17-,18+,19+,20+,25+/m1/s1","IXONGSRYYIUNOM-PDGNJTGUSA-N",null,49]
["D10992",690,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197545","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1ccc(N)cc1)C(O)=O","InChI=1S/C28H44N4O5S/c1-27(2)20-13-14-28(27,3)24(17-20)30-25(33)22(15-18-7-5-4-6-8-18)31-38(36,37)32-23(26(34)35)16-19-9-11-21(29)12-10-19/h9-12,18,20,22-24,31-32H,4-8,13-17,29H2,1-3H3,(H,30,33)(H,34,35)/t20-,22+,23+,24+,28+/m1/s1","JMPROEFTODXVTK-PBXXYNGLSA-N",null,7100]
["D10993",488,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197528","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1ccc(N)nc1)C(O)=O","InChI=1S/C27H43N5O5S/c1-26(2)19-11-12-27(26,3)22(15-19)30-24(33)20(13-17-7-5-4-6-8-17)31-38(36,37)32-21(25(34)35)14-18-9-10-23(28)29-16-18/h9-10,16-17,19-22,31-32H,4-8,11-15H2,1-3H3,(H2,28,29)(H,30,33)(H,34,35)/t19-,20+,21+,22+,27+/m1/s1","QHXMEEQJYRVZQW-HKVSAHRDSA-N",null,26]
["D10994",720,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197577","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1ccccc1)C(O)=O","InChI=1S/C28H43N3O5S/c1-27(2)21-14-15-28(27,3)24(18-21)29-25(32)22(16-19-10-6-4-7-11-19)30-37(35,36)31-23(26(33)34)17-20-12-8-5-9-13-20/h5,8-9,12-13,19,21-24,30-31H,4,6-7,10-11,14-18H2,1-3H3,(H,29,32)(H,33,34)/t21-,22+,23+,24+,28+/m1/s1","KJDYVYATVMPQOW-HOZMCVABSA-N",null,24000]
["D10995",590,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197543","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1cccnc1)C(O)=O","InChI=1S/C27H42N4O5S/c1-26(2)20-11-12-27(26,3)23(16-20)29-24(32)21(14-18-8-5-4-6-9-18)30-37(35,36)31-22(25(33)34)15-19-10-7-13-28-17-19/h7,10,13,17-18,20-23,30-31H,4-6,8-9,11-12,14-16H2,1-3H3,(H,29,32)(H,33,34)/t20-,21+,22+,23+,27+/m1/s1","XYTYVEVWWTZSIW-BXOWXZKISA-N",null,200]
["D10996",656,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197544","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1ccncc1)C(O)=O","InChI=1S/C27H42N4O5S/c1-26(2)20-9-12-27(26,3)23(17-20)29-24(32)21(15-18-7-5-4-6-8-18)30-37(35,36)31-22(25(33)34)16-19-10-13-28-14-11-19/h10-11,13-14,18,20-23,30-31H,4-9,12,15-17H2,1-3H3,(H,29,32)(H,33,34)/t20-,21+,22+,23+,27+/m1/s1","HDEKKTYMNZXVPF-BXOWXZKISA-N",null,1700]
["D10997",675,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197563","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O","InChI=1S/C25H41N5O5S/c1-24(2)17-9-10-25(24,3)21(12-17)28-22(31)19(11-16-7-5-4-6-8-16)29-36(34,35)30-20(23(32)33)13-18-14-26-15-27-18/h14-17,19-21,29-30H,4-13H2,1-3H3,(H,26,27)(H,28,31)(H,32,33)/t17-,19+,20+,21+,25+/m1/s1","MWDYDFUMFPIWRS-FAJCANAKSA-N",null,4400]
["D10998",593,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197536","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CCC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C26H48N4O5S/c1-25(2)19-14-15-26(25,3)22(17-19)28-23(31)20(13-12-18-9-5-4-6-10-18)29-36(34,35)30-21(24(32)33)11-7-8-16-27/h18-22,29-30H,4-17,27H2,1-3H3,(H,28,31)(H,32,33)/t19-,20+,21+,22+,26+/m1/s1","XLOARNQKSYTPBM-RZFRIWOHSA-N",null,220]
["D10999",583,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197556","CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C25H40N4O5S/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26/h4-6,9-10,18-21,28-29H,7-8,11-16,26H2,1-3H3,(H,27,30)(H,31,32)/t18-,19+,20+,21+,25+/m1/s1","CQFRJAFNJDXKLZ-PHGOAHNDSA-N",null,170]
["D11000",4755,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66678","CC1(C=CC2(CCCCC2)N1C(=O)c1ccccc1)C(=O)NCC1CC1","InChI=1S/C22H28N2O2/c1-21(20(26)23-16-17-10-11-17)14-15-22(12-6-3-7-13-22)24(21)19(25)18-8-4-2-5-9-18/h2,4-5,8-9,14-15,17H,3,6-7,10-13,16H2,1H3,(H,23,26)","QFAWJSWNBLXVGD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11001",17975,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570049","CC1(CO)CNC(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5nnc(o5)C5CC5)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D11002",17875,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569856","CC1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5cc(F)cc(c5)C#N)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D11003",17944,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569928","CC1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5ccc(C#N)c(F)c5)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D11004",17940,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569924","CC1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5ccc(C#N)c(c5)C(F)(F)F)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D11005",17979,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570053","CC1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5ccc(F)c(F)c5)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D11006",17874,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569855","CC1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5ccc(F)c(c5)C#N)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D11007",17889,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569870","CC1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5ccc(F)cc5)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D11008",17776,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569910","CC1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5ccc(OC(F)(F)F)c(c5)C#N)c34)c(F)c2)=NC1",{"$nulls":3},18800]
["D11009",17895,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569876","CC1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5ccc(OCC#N)cc5)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D11010",17781,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569916","CC1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5ccc(OCC(F)(F)F)c(c5)C#N)c34)c(F)c2)=NC1",{"$nulls":3},19000]
["D11011",17825,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569840","CC1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5ccc(cc5)C#N)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D11012",17943,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569927","CC1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5ccc(cc5F)C#N)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D11013",17937,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569921","CC1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5ccc(nc5)C#N)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D11014",17888,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569869","CC1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5cccc(F)c5)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D11015",17931,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569914","CC1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5cccc(F)c5C#N)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D11016",16474,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569917","CC1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5cccc(c5)C#N)c34)c(F)c2)=NC1",{"$nulls":3},280]
["D11017",17935,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569919","CC1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5ccccc5C#N)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D11018",17887,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569868","CC1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5ccccc5F)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D11019",17872,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569853","CC1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5ccnc(c5)C#N)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D11020",17873,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569854","CC1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5ccnc(c5)C(N)=O)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D11021",17976,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570050","CC1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5nnc(o5)C5CCC5)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D11022",16492,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569842","CC1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(Br)c34)c(F)c2)=NC1",{"$nulls":3},300]
["D11023",16848,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569844","CC1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(C#N)c34)c(F)c2)=NC1",{"$nulls":3},960]
["D11024",17871,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569852","CC1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(C5=CC6CCC(C5)N6)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D11025",17864,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569845","CC1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(C5CC5)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D11026",18019,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570004","CC1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(CCCC#N)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D11027",16985,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569857","CC1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(Cl)c34)c(F)c2)=NC1",{"$nulls":3},1200]
["D11028",16382,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569829","CC1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(c34)C(F)(F)F)c(F)c2)=NC1",{"$nulls":3},200]
["D11029",17794,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569885","CC1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(c34)C(F)(F)F)cc2F)=NC1",{"$nulls":3},">20000"]
["D11030",17985,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570059","CC1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(c34)C3(CC3)C(F)(F)F)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D11031",18015,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570000","CC1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(c34)C3(COC3)OCC(F)(F)F)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D11032",18010,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569995","CC1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(c34)C3(O)COC3)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D11033",17791,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569882","CC1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]ccc34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D11034",17795,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569886","CC1(CO)COC(Nc2ccc(Sc3ccnc4[nH]cc(Br)c34)cc2)=NC1",{"$nulls":3},">20000"]
["D11035",15199,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276826","CC1(COc2ccc(cc2C#N)-c2ccnc3[nH]c(cc23)-c2ccc(cc2)N2CCOCC2)COC1","InChI=1S/C29H28N4O3/c1-29(17-35-18-29)19-36-27-7-4-21(14-22(27)16-30)24-8-9-31-28-25(24)15-26(32-28)20-2-5-23(6-3-20)33-10-12-34-13-11-33/h2-9,14-15H,10-13,17-19H2,1H3,(H,31,32)","MAHDAWIVQYOKQJ-UHFFFAOYSA-N",null,14.1,{"$nulls":4},7]
["D11036",14881,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277784","CC1(COc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)COC1","InChI=1S/C28H31N7O3/c1-28(16-37-17-28)18-38-25-7-2-20(12-21(25)13-29)26-30-19-31-27(33-26)32-22-3-5-23(6-4-22)34-8-10-35(11-9-34)24-14-36-15-24/h2-7,12,19,24H,8-11,14-18H2,1H3,(H,30,31,32,33)","MGMFZNVCWYILKV-UHFFFAOYSA-N",null,7]
["D11037",469,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109244","CC1(O)CCC(CC1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C16H27N3O3/c1-16(22)6-4-14(5-7-16)19-10-13(18-11-19)9-12(15(20)21)3-2-8-17/h10-12,14,22H,2-9,17H2,1H3,(H,20,21)","GESSUOCTJXXJDY-UHFFFAOYSA-N",null,19]
["D11038",13675,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19268338","CC1(O)CCC(CC1)n1cnc(CC(CCCN)C(O)=O)c2","InChI=1S/C16H27N3O3/c1-16(22)6-4-14(5-7-16)19-10-13(18-11-19)9-12(15(20)21)3-2-8-17/h10-12,14,22H,2-9,17H2,1H3,(H,20,21)","GESSUOCTJXXJDY-UHFFFAOYSA-N",-13076.9710316654,57.7299807727523,33654.0562567168,{"$nulls":3},6.73729521537885]
["D11039",16760,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397763","CC1(O)CCN(C1)C(=O)CNc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C22H24N6O3/c1-22(31)6-7-28(13-22)20(29)12-25-17-8-15(4-5-16(17)9-23)18-10-26-19(11-24-18)27-21(30)14-2-3-14/h4-5,8,10-11,14,25,31H,2-3,6-7,12-13H2,1H3,(H,26,27,30)","XFMJMIRNXQSOKC-UHFFFAOYSA-N",null,631]
["D11040",14499,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277886","CC1(O)CCN(C1)c1ccc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cc1","InChI=1S/C26H28N6O3/c1-26(33)10-11-32(16-26)21-5-3-20(4-6-21)30-25-29-17-28-24(31-25)18-2-7-23(19(14-18)15-27)35-22-8-12-34-13-9-22/h2-7,14,17,22,33H,8-13,16H2,1H3,(H,28,29,30,31)","OUDVZKIEQFHSOD-UHFFFAOYSA-N",null,3]
["D11041",16035,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246014","CC1(O)CN(Cc2ccc(Nc3nccc(n3)-c3cnc(N4CC[C@H](F)C4)c(c3)C#N)cn2)C1","InChI=1S/C24H25FN8O/c1-24(34)14-32(15-24)13-20-3-2-19(11-28-20)30-23-27-6-4-21(31-23)17-8-16(9-26)22(29-10-17)33-7-5-18(25)12-33/h2-4,6,8,10-11,18,34H,5,7,12-15H2,1H3,(H,27,30,31)/t18-/m0/s1","VYNCQWJHIOUGAX-SFHVURJKSA-N",null,"<100",{"$nulls":4},7.5]
["D11042",640,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197531","CC12CC3CC(C)(C1)CC(C3)(C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C27H48N4O5S/c1-25-13-20-14-26(2,16-25)18-27(15-20,17-25)29-23(32)22(12-19-8-4-3-5-9-19)31-37(35,36)30-21(24(33)34)10-6-7-11-28/h19-22,30-31H,3-18,28H2,1-2H3,(H,29,32)(H,33,34)/t20?,21-,22-,25?,26?,27?/m0/s1","CZSZMCHTTSACDU-SQFQGINYSA-N",null,1100]
["D11043",393,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089755","CC12CCC(C(C1)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CSCCN)C(O)=O)C2(C)C","InChI=1S/C25H44N4O4S/c1-24(2)17-9-10-25(24,3)14-19(17)27-21(30)18(13-16-7-5-4-6-8-16)28-23(33)29-20(22(31)32)15-34-12-11-26/h16-20H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)(H2,28,29,33)/t17?,18-,19?,20+,25?/m1/s1","LVFHNJLSTSKIOI-IFVPPNBGSA-N",null,4]
["D11044",746,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089782","CC12CCC(C(C1)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](Cc1ccc(N)nc1)C#N)C2(C)C","InChI=1S/C28H42N6O2/c1-27(2)21-11-12-28(27,3)15-23(21)33-25(35)22(14-18-7-5-4-6-8-18)34-26(36)32-20(16-29)13-19-9-10-24(30)31-17-19/h9-10,17-18,20-23H,4-8,11-15H2,1-3H3,(H2,30,31)(H,33,35)(H2,32,34,36)/t20-,21?,22+,23?,28?/m0/s1","UWOKLNWAZGUKFI-WTYYAFBXSA-N",null,54000]
["D11045",620,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089781","CC12CCC(C(C1)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](Cc1ccc(N)nc1)C(N)=O)C2(C)C","InChI=1S/C28H44N6O3/c1-27(2)19-11-12-28(27,3)15-22(19)32-25(36)21(13-17-7-5-4-6-8-17)34-26(37)33-20(24(30)35)14-18-9-10-23(29)31-16-18/h9-10,16-17,19-22H,4-8,11-15H2,1-3H3,(H2,29,31)(H2,30,35)(H,32,36)(H2,33,34,37)/t19?,20-,21+,22?,28?/m0/s1","ZFFKLIGSDMVSKR-ZSKJDULESA-N",null,570]
["D11046",366,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089758","CC12CCC(C(C1)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](Cc1ccc(N)nc1)C(O)=O)C2(C)C","InChI=1S/C28H43N5O4/c1-27(2)19-11-12-28(27,3)15-22(19)31-24(34)20(13-17-7-5-4-6-8-17)32-26(37)33-21(25(35)36)14-18-9-10-23(29)30-16-18/h9-10,16-17,19-22H,4-8,11-15H2,1-3H3,(H2,29,30)(H,31,34)(H,35,36)(H2,32,33,37)/t19?,20-,21+,22?,28?/m1/s1","IHZPIKIYQNIWSX-XVCFFUJGSA-N",null,1]
["D11047",595,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089778","CC12CCC(C(C1)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@H](Cc1ccc(N)nc1)C(O)=O)C2(C)C","InChI=1S/C28H43N5O4/c1-27(2)19-11-12-28(27,3)15-22(19)31-24(34)20(13-17-7-5-4-6-8-17)32-26(37)33-21(25(35)36)14-18-9-10-23(29)30-16-18/h9-10,16-17,19-22H,4-8,11-15H2,1-3H3,(H2,29,30)(H,31,34)(H,35,36)(H2,32,33,37)/t19?,20-,21-,22?,28?/m1/s1","IHZPIKIYQNIWSX-BYSUOTFYSA-N",null,250]
["D11048",3881,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66803","CC12CCCCC1NS(=O)(=O)OC2","InChI=1S/C8H15NO3S/c1-8-5-3-2-4-7(8)9-13(10,11)12-6-8/h7,9H,2-6H2,1H3","VKWQOBHCSKKATR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11049",32180,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43619","CC1=C(C)C(=O)C(=CC1=O)N1CCOCC1","InChI=1S/C12H15NO3/c1-8-9(2)12(15)10(7-11(8)14)13-3-5-16-6-4-13/h7H,3-6H2,1-2H3","RHNBLPLXJVTVBI-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D11050",31693,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM196138","CC1=CC(C)(C)N=C(Nc2nc(C)c3cc(C)cc(C)c3n2)N1","InChI=1S/C18H23N5/c1-10-7-11(2)15-14(8-10)13(4)20-16(21-15)22-17-19-12(3)9-18(5,6)23-17/h7-9H,1-6H3,(H2,19,20,21,22,23)","NXZXRPKKYIPBNO-UHFFFAOYSA-N",null,5900]
["D11051",31957,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50103640","CC1=CC(C)(C)N=C(Nc2nc(C)c3cc(C)ccc3n2)N1","InChI=1S/C17H21N5/c1-10-6-7-14-13(8-10)12(3)19-15(20-14)21-16-18-11(2)9-17(4,5)22-16/h6-9H,1-5H3,(H2,18,19,20,21,22)","RMRLOEXPTYDYDD-UHFFFAOYSA-N",null,">50000"]
["D11052",4798,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor","Rattus norvegicus","BDBM50136493","CC1=NCCc2c1[nH]c1ccccc21","InChI=1S/C12H12N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,14H,6-7H2,1H3","CWOYLIJQLSNRRN-UHFFFAOYSA-N",">10000"]
["D11053",11979,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43112","CC1=NN(C(=O)Cn2ccc(n2)[N+]([O-])=O)C(O)(C1)C(F)(F)F","InChI=1S/C10H10F3N5O4/c1-6-4-9(20,10(11,12)13)17(14-6)8(19)5-16-3-2-7(15-16)18(21)22/h2-3,20H,4-5H2,1H3","CKBFQIWITZJUFB-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11054",3762,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66376","CC1=NN(C(=O)\\C1=C\\NC12CN3CN(CN(C3)C1)C2)c1cccc(Cl)c1","InChI=1S/C18H21ClN6O/c1-13-16(17(26)25(21-13)15-4-2-3-14(19)5-15)6-20-18-7-22-10-23(8-18)12-24(9-18)11-22/h2-6,20H,7-12H2,1H3/b16-6+","WRONVSUPDFKMQI-OMCISZLKSA-N",{"$nulls":3},">350000"]
["D11055",4416,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM61441","CC1=NOC(=O)\\C1=C/c1ccc(o1)-c1cccc(Cl)c1","InChI=1S/C15H10ClNO3/c1-9-13(15(18)20-17-9)8-12-5-6-14(19-12)10-3-2-4-11(16)7-10/h2-8H,1H3/b13-8-","XFNPAIZZSYIWOY-JYRVWZFOSA-N",{"$nulls":3},">350000"]
["D11056",4265,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66261","CC1=Nc2nc(nn2C(C1C(N)=O)c1ccc2OCOc2c1)-c1cccc(C)c1","InChI=1S/C21H19N5O3/c1-11-4-3-5-14(8-11)20-24-21-23-12(2)17(19(22)27)18(26(21)25-20)13-6-7-15-16(9-13)29-10-28-15/h3-9,17-18H,10H2,1-2H3,(H2,22,27)","XPFCXFQBKFREGZ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11057",31907,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50189943","CC1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12","InChI=1S/C11H12N6S/c1-6-5-18-11-15-14-10(17(11)16-6)9-7-3-2-4-8(7)12-13-9/h2-5H2,1H3,(H,12,13)","FBUCJXISBOYXDM-UHFFFAOYSA-N",null,">50000"]
["D11058",31974,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50189944","CC1=Nn2c(SC1)nnc2-c1cc([nH]n1)-c1ccccc1","InChI=1S/C14H12N6S/c1-9-8-21-14-18-17-13(20(14)19-9)12-7-11(15-16-12)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16)","QQVGHUIRXGIOEX-UHFFFAOYSA-N",null,">50000"]
["D11059",31908,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM438779","CC1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1","InChI=1S/C14H12N6S/c1-9-8-21-14-18-17-13(20(14)19-9)12-7-11(15-16-12)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16)","QQVGHUIRXGIOEX-UHFFFAOYSA-N",null,">50000"]
["D11060",11932,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43192","CC1C(Br)C(=O)NC(=O)N1Cc1ccccc1","InChI=1S/C12H13BrN2O2/c1-8-10(13)11(16)14-12(17)15(8)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,14,16,17)","YCSSNQMQIYSIJL-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11061",12185,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM6563","CC1C(C(C)=O)C(C)=NC2=C1C(=O)CC(C)(C)C2","InChI=1S/C15H21NO2/c1-8-13(10(3)17)9(2)16-11-6-15(4,5)7-12(18)14(8)11/h8,13H,6-7H2,1-5H3","AWGDCEGJMILLDP-UHFFFAOYSA-N",null,7945]
["D11062",4269,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66264","CC1CC(C)CN(C1)C(=O)CCCn1c(=S)[nH]c2ccccc2c1=O","InChI=1S/C19H25N3O2S/c1-13-10-14(2)12-21(11-13)17(23)8-5-9-22-18(24)15-6-3-4-7-16(15)20-19(22)25/h3-4,6-7,13-14H,5,8-12H2,1-2H3,(H,20,25)","OKVHEWLZUHCTRI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11063",4067,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66961","CC1CC(C)CN(C1)C(=O)c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O","InChI=1S/C18H20N2O4/c1-12-9-13(2)11-19(10-12)18(21)17-8-7-16(24-17)14-3-5-15(6-4-14)20(22)23/h3-8,12-13H,9-11H2,1-2H3","QTLSKAASRCRKSN-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11064",12147,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM41953","CC1CC(C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)NNc1nc2c(C)cccc2s1","InChI=1S/C22H26N4O3S2/c1-14-11-15(2)13-26(12-14)31(28,29)18-9-7-17(8-10-18)21(27)24-25-22-23-20-16(3)5-4-6-19(20)30-22/h4-10,14-15H,11-13H2,1-3H3,(H,23,25)(H,24,27)","LBTRDZPKEWBWFH-UHFFFAOYSA-N",null,5906]
["D11065",31782,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43580","CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NCc3cccnc3)c(C)c2c1","InChI=1S/C23H27N3O4S/c1-15-9-16(2)14-26(13-15)31(28,29)19-6-7-21-20(10-19)17(3)22(30-21)23(27)25-12-18-5-4-8-24-11-18/h4-8,10-11,15-16H,9,12-14H2,1-3H3,(H,25,27)","KLMMAKNMYZDQAM-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D11066",505,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109241","CC1CC(C1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C14H23N3O2/c1-10-5-13(6-10)17-8-12(16-9-17)7-11(14(18)19)3-2-4-15/h8-11,13H,2-7,15H2,1H3,(H,18,19)","RVVSJGCFVKMYPN-UHFFFAOYSA-N",null,35]
["D11067",13711,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19275360","CC1CC(C1)n1cnc(CC(CCCN)C(O)=O)c2","InChI=1S/C14H23N3O2/c1-10-5-13(6-10)17-8-12(16-9-17)7-11(14(18)19)3-2-4-15/h8-11,13H,2-7,15H2,1H3,(H,18,19)","RVVSJGCFVKMYPN-UHFFFAOYSA-N",-16754.7448423077,67.8470186321186,33676.8978677543,{"$nulls":3},6.73731110476518]
["D11068",682,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197534","CC1CC(CC(C)(C)C1)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C24H46N4O5S/c1-17-13-19(16-24(2,3)15-17)26-22(29)21(14-18-9-5-4-6-10-18)28-34(32,33)27-20(23(30)31)11-7-8-12-25/h17-21,27-28H,4-16,25H2,1-3H3,(H,26,29)(H,30,31)/t17?,19?,20-,21-/m0/s1","YGZGRMDSLQIEKK-BOWFFMLLSA-N",null,5700]
["D11069",17104,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277949","CC1CC(CC(C)N1C(=O)CO)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C32H38N8O4/c1-21-13-28(14-22(2)40(21)30(42)17-41)44-29-8-3-23(15-24(29)16-33)31-34-20-35-32(37-31)36-25-4-6-26(7-5-25)38-9-11-39(12-10-38)27-18-43-19-27/h3-8,15,20-22,27-28,41H,9-14,17-19H2,1-2H3,(H,34,35,36,37)","IKUQRJKFDNDOSK-UHFFFAOYSA-N",null,2000,{"$nulls":4},7]
["D11070",15954,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397635","CC1CC1C(=O)Nc1cnc(cn1)-c1ccc(C#N)c(NCC(=O)N(C)C)c1","InChI=1S/C20H22N6O2/c1-12-6-15(12)20(28)25-18-10-22-17(9-24-18)13-4-5-14(8-21)16(7-13)23-11-19(27)26(2)3/h4-5,7,9-10,12,15,23H,6,11H2,1-3H3,(H,24,25,28)","ZPJAZSMEHDTRPP-UHFFFAOYSA-N",null,79.4]
["D11071",15949,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397776","CC1CC1C(=O)Nc1cnc(cn1)-c1cnc(C#N)c(NCC(=O)N(C)C)c1","InChI=1S/C19H21N7O2/c1-11-4-13(11)19(28)25-17-9-22-16(8-24-17)12-5-14(15(6-20)21-7-12)23-10-18(27)26(2)3/h5,7-9,11,13,23H,4,10H2,1-3H3,(H,24,25,28)","ZVSDHOJLYDMVPH-UHFFFAOYSA-N",null,79.4]
["D11072",17267,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397775","CC1CC1C(=O)Nc1cnc(cn1)-c1cnc(C#N)c(NCC(N)=O)c1","InChI=1S/C17H17N7O2/c1-9-2-11(9)17(26)24-16-8-22-14(6-23-16)10-3-12(21-7-15(19)25)13(4-18)20-5-10/h3,5-6,8-9,11,21H,2,7H2,1H3,(H2,19,25)(H,23,24,26)","QIVMLXGTBHHLDS-UHFFFAOYSA-N",null,2512]
["D11073",17417,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357875","CC1CCC(CC1)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O","InChI=1S/C20H20N2O4/c1-10-2-4-11(5-3-10)12-6-7-16-13(8-12)17(23)14-9-15(20(24)25)18(21)22-19(14)26-16/h6-11H,2-5H2,1H3,(H2,21,22)(H,24,25)","MTUANDHWSWYLTD-UHFFFAOYSA-N",null,3830]
["D11074",28733,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50275092","CC1CCC(Nc2nc3ccccc3[nH]2)c2ccccc12","InChI=1S/C18H19N3/c1-12-10-11-15(14-7-3-2-6-13(12)14)19-18-20-16-8-4-5-9-17(16)21-18/h2-9,12,15H,10-11H2,1H3,(H2,19,20,21)","AFQJPONMXLXQKC-UHFFFAOYSA-N",null,null,32]
["D11075",11969,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43102","CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(C)on1)C2=O","InChI=1S/C15H20N4O4/c1-9-3-5-15(6-4-9)13(21)19(14(22)17-15)8-12(20)16-11-7-10(2)23-18-11/h7,9H,3-6,8H2,1-2H3,(H,17,22)(H,16,18,20)","XJEUTCMDVHQFJI-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11076",658,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197562","CC1CCCC(C1)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C22H42N4O5S/c1-16-8-7-11-18(14-16)24-21(27)20(15-17-9-3-2-4-10-17)26-32(30,31)25-19(22(28)29)12-5-6-13-23/h16-20,25-26H,2-15,23H2,1H3,(H,24,27)(H,28,29)/t16?,18?,19-,20-/m0/s1","NMIJCOOOMNGWHA-QUDVFMAMSA-N",null,1700]
["D11077",464,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109245","CC1CCCC(C1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C16H27N3O2/c1-12-4-2-6-15(8-12)19-10-14(18-11-19)9-13(16(20)21)5-3-7-17/h10-13,15H,2-9,17H2,1H3,(H,20,21)","RUGXMJXNVBQNEE-UHFFFAOYSA-N",null,18]
["D11078",13670,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19267363","CC1CCCC(C1)n1cnc(CC(CCCN)C(O)=O)c2","InChI=1S/C16H27N3O2/c1-12-4-2-6-15(8-12)19-10-14(18-11-19)9-13(16(20)21)5-3-7-17/h10-13,15H,2-9,17H2,1H3,(H,20,21)","RUGXMJXNVBQNEE-UHFFFAOYSA-N",-12566.1691135206,56.3248366256181,33650.8838107393,{"$nulls":3},6.73729300851964]
["D11079",4029,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66930","CC1CCCCC11NC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O","InChI=1S/C15H17ClN2O3S/c1-9-4-2-3-7-15(9)13(20)18(14(21)17-15)8-10(19)11-5-6-12(16)22-11/h5-6,9H,2-4,7-8H2,1H3,(H,17,21)","FJBQBCDURZYSQK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11080",32036,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM35354","CC1CCCCC1NS(=O)(=O)c1ccc(cc1)S(=O)(=O)NCc1ccncc1","InChI=1S/C19H25N3O4S2/c1-15-4-2-3-5-19(15)22-28(25,26)18-8-6-17(7-9-18)27(23,24)21-14-16-10-12-20-13-11-16/h6-13,15,19,21-22H,2-5,14H2,1H3","VPEXBQDMDLLQHD-UHFFFAOYSA-N",null,">55700"]
["D11081",32307,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50430700","CC1CCCCN1S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1","InChI=1S/C17H26N2O3S/c1-13-7-5-6-12-19(13)23(21,22)15-10-8-14(9-11-15)18-16(20)17(2,3)4/h8-11,13H,5-7,12H2,1-4H3,(H,18,20)","YEOMWWOLTSBVDA-UHFFFAOYSA-N",null,">30000"]
["D11082",32310,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50430709","CC1CCCCN1S(=O)(=O)c1ccc(cc1)N1CCC1=O","InChI=1S/C15H20N2O3S/c1-12-4-2-3-10-17(12)21(19,20)14-7-5-13(6-8-14)16-11-9-15(16)18/h5-8,12H,2-4,9-11H2,1H3","VFNXADRXERYLBI-UHFFFAOYSA-N",null,">30000"]
["D11083",32309,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50430708","CC1CCCCN1S(=O)(=O)c1ccc(cc1)N1CCCCC1=O","InChI=1S/C17H24N2O3S/c1-14-6-2-5-13-19(14)23(21,22)16-10-8-15(9-11-16)18-12-4-3-7-17(18)20/h8-11,14H,2-7,12-13H2,1H3","ABGLFKDCUAVVOJ-UHFFFAOYSA-N",null,">30000"]
["D11084",32306,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50430723","CC1CCCCN1S(=O)(=O)c1ccc(cc1)N1CCCS1(=O)=O","InChI=1S/C15H22N2O4S2/c1-13-5-2-3-10-16(13)23(20,21)15-8-6-14(7-9-15)17-11-4-12-22(17,18)19/h6-9,13H,2-5,10-12H2,1H3","KRYFKXQGKJKXJA-UHFFFAOYSA-N",null,">30000"]
["D11085",32308,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50430703","CC1CCCCN1S(=O)(=O)c1ccc(cn1)N1CCCC1=O","InChI=1S/C15H21N3O3S/c1-12-5-2-3-10-18(12)22(20,21)14-8-7-13(11-16-14)17-9-4-6-15(17)19/h7-8,11-12H,2-6,9-10H2,1H3","MBZMRRSVLXIJLT-UHFFFAOYSA-N",null,">30000"]
["D11086",12202,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM68834","CC1CCCCN1c1ncnc2ccccc12","InChI=1S/C14H17N3/c1-11-6-4-5-9-17(11)14-12-7-2-3-8-13(12)15-10-16-14/h2-3,7-8,10-11H,4-6,9H2,1H3","BOEIMGXBJBIBFB-UHFFFAOYSA-N",null,8389]
["D11087",3898,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66819","CC1CCCN(C1)C(=O)CN1C(=O)C(C)Oc2ccccc12","InChI=1S/C17H22N2O3/c1-12-6-5-9-18(10-12)16(20)11-19-14-7-3-4-8-15(14)22-13(2)17(19)21/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3","SSUJBXNJBOMCRV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11088",32315,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50430718","CC1CCCN(C1)S(=O)(=O)c1ccc(cc1)N1CCCC1=O","InChI=1S/C16H22N2O3S/c1-13-4-2-10-17(12-13)22(20,21)15-8-6-14(7-9-15)18-11-3-5-16(18)19/h6-9,13H,2-5,10-12H2,1H3","ZOPISKDOFNFRTN-UHFFFAOYSA-N",null,">30000"]
["D11089",4469,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66440","CC1CCCN(C1)c1nc(Nc2cccc(C)c2)nc(N)c1[N+]([O-])=O","InChI=1S/C17H22N6O2/c1-11-5-3-7-13(9-11)19-17-20-15(18)14(23(24)25)16(21-17)22-8-4-6-12(2)10-22/h3,5,7,9,12H,4,6,8,10H2,1-2H3,(H3,18,19,20,21)","DNZWSDLPVBGUJV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11090",31770,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43570","CC1CCN(CC1)C(=O)Cn1c2ccccc2c(=O)n(CCc2ccccc2)c1=O","InChI=1S/C24H27N3O3/c1-18-11-14-25(15-12-18)22(28)17-27-21-10-6-5-9-20(21)23(29)26(24(27)30)16-13-19-7-3-2-4-8-19/h2-10,18H,11-17H2,1H3","CORHXMTYKYUHJX-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D11091",12219,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM4073","CC1CCN(CC1)C(=O)c1scc2OCCOc12","InChI=1S/C13H17NO3S/c1-9-2-4-14(5-3-9)13(15)12-11-10(8-18-12)16-6-7-17-11/h8-9H,2-7H2,1H3","DDRLGEHQIRZJQA-UHFFFAOYSA-N",null,10037]
["D11092",12343,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM64122","CC1CCN(CC1)C1=NC(=O)\\C(S1)=C\\c1ccccc1F","InChI=1S/C16H17FN2OS/c1-11-6-8-19(9-7-11)16-18-15(20)14(21-16)10-12-4-2-3-5-13(12)17/h2-5,10-11H,6-9H2,1H3/b14-10-","YWNBQTQLVGWYJQ-UVTDQMKNSA-N",null,">35892"]
["D11093",11846,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42999","CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sccc1C(N)=O","InChI=1S/C18H21N3O4S2/c1-12-6-9-21(10-7-12)27(24,25)14-4-2-13(3-5-14)17(23)20-18-15(16(19)22)8-11-26-18/h2-5,8,11-12H,6-7,9-10H2,1H3,(H2,19,22)(H,20,23)","ICKKHOVNAGLAJL-UHFFFAOYSA-N",{"$nulls":3},79230]
["D11094",32314,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50430717","CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)N1CCCC1=O","InChI=1S/C16H22N2O3S/c1-13-8-11-17(12-9-13)22(20,21)15-6-4-14(5-7-15)18-10-2-3-16(18)19/h4-7,13H,2-3,8-12H2,1H3","AJAGRFHHTYBASE-UHFFFAOYSA-N",null,">30000"]
["D11095",3956,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66863","CC1CCN(CC1)c1ccc2nnc(CCC(=O)NCc3ccco3)n2n1","InChI=1S/C19H24N6O2/c1-14-8-10-24(11-9-14)18-5-4-16-21-22-17(25(16)23-18)6-7-19(26)20-13-15-3-2-12-27-15/h2-5,12,14H,6-11,13H2,1H3,(H,20,26)","UERVTDDEWDGDNI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11096",4274,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66268","CC1CCN(CCCNC(=O)c2cn(C)c3ccc(cc3c2=O)S(=O)(=O)N2CCCC2)CC1","InChI=1S/C24H34N4O4S/c1-18-8-14-27(15-9-18)11-5-10-25-24(30)21-17-26(2)22-7-6-19(16-20(22)23(21)29)33(31,32)28-12-3-4-13-28/h6-7,16-18H,3-5,8-15H2,1-2H3,(H,25,30)","VSQUCBZZMRXIQN-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11097",4030,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66931","CC1CCN(Cc2c(nnn2-c2nonc2N)C(=O)NN=Cc2ccc(cc2)C(C)(C)C)CC1","InChI=1S/C23H31N9O2/c1-15-9-11-31(12-10-15)14-18-19(26-30-32(18)21-20(24)28-34-29-21)22(33)27-25-13-16-5-7-17(8-6-16)23(2,3)4/h5-8,13,15H,9-12,14H2,1-4H3,(H2,24,28)(H,27,33)","FVYRESBJFDVTOG-UHFFFAOYSA-N",{"$nulls":3},45680]
["D11098",16901,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569954","CC1CCOC(Nc2cc(F)c(Oc3ccnc4[nH]cc(Cl)c34)c(F)c2)=N1",{"$nulls":3},1000]
["D11099",18005,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569990","CC1CCSC(Nc2cc(F)c(Oc3ccnc4[nH]cc(Cl)c34)c(F)c2)=N1",{"$nulls":3},">20000"]
["D11100",3746,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66365","CC1CCc2c(C1)sc(NC(=O)CNS(=O)(=O)c1cc(C)ccc1C)c2C(N)=O","InChI=1S/C20H25N3O4S2/c1-11-5-7-14-15(8-11)28-20(18(14)19(21)25)23-17(24)10-22-29(26,27)16-9-12(2)4-6-13(16)3/h4,6,9,11,22H,5,7-8,10H2,1-3H3,(H2,21,25)(H,23,24)","NBFOIWUHSGFVNS-UHFFFAOYSA-N",{"$nulls":3},110800]
["D11101",12373,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM37375","CC1CCc2c(C1)sc1nc(SCC(=O)NCc3ccco3)nc(N)c21","InChI=1S/C18H20N4O2S2/c1-10-4-5-12-13(7-10)26-17-15(12)16(19)21-18(22-17)25-9-14(23)20-8-11-3-2-6-24-11/h2-3,6,10H,4-5,7-9H2,1H3,(H,20,23)(H2,19,21,22)","WZEUPCWHMOQZLM-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11102",3793,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM58332","CC1CCc2c(C1)sc1nc(nc(N3CCN(CC3)C(=O)CCl)c21)C(C)(C)C","InChI=1S/C21H29ClN4OS/c1-13-5-6-14-15(11-13)28-19-17(14)18(23-20(24-19)21(2,3)4)26-9-7-25(8-10-26)16(27)12-22/h13H,5-12H2,1-4H3","IRKSULICTUSQPI-UHFFFAOYSA-N",{"$nulls":3},15400]
["D11103",32092,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46381","CC1CCc2c(O)n(c(O)c2C1)-c1ccccc1OC(=O)c1ccccc1","InChI=1S/C22H21NO4/c1-14-11-12-16-17(13-14)21(25)23(20(16)24)18-9-5-6-10-19(18)27-22(26)15-7-3-2-4-8-15/h2-10,14,24-25H,11-13H2,1H3","ATIKXNJFKCKHNN-UHFFFAOYSA-N",null,">55700"]
["D11104",28732,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50275125","CC1CCc2ccccc2C1Nc1nc2ccccc2[nH]1","InChI=1S/C18H19N3/c1-12-10-11-13-6-2-3-7-14(13)17(12)21-18-19-15-8-4-5-9-16(15)20-18/h2-9,12,17H,10-11H2,1H3,(H2,19,20,21)","GHOVHQYWZYSKQQ-UHFFFAOYSA-N",null,null,170]
["D11105",4359,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66294","CC1CCc2nn(CC(=O)NCCCN3CCCC3=O)cc2C1","InChI=1S/C17H26N4O2/c1-13-5-6-15-14(10-13)11-21(19-15)12-16(22)18-7-3-9-20-8-2-4-17(20)23/h11,13H,2-10,12H2,1H3,(H,18,22)","ZPQCAVFJNQLWGI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11106",3792,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66725","CC1CN(CCC(=O)Nc2ccc(C)c(C)c2)CC(C)O1","InChI=1S/C17H26N2O2/c1-12-5-6-16(9-13(12)2)18-17(20)7-8-19-10-14(3)21-15(4)11-19/h5-6,9,14-15H,7-8,10-11H2,1-4H3,(H,18,20)","TZMCGWUPMHQRQA-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11107",14521,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277948","CC1CN(CCC1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)CO","InChI=1S/C31H36N8O4/c1-21-16-39(29(41)17-40)9-8-27(21)43-28-7-2-22(14-23(28)15-32)30-33-20-34-31(36-30)35-24-3-5-25(6-4-24)37-10-12-38(13-11-37)26-18-42-19-26/h2-7,14,20-21,26-27,40H,8-13,16-19H2,1H3,(H,33,34,35,36)","PCWABKMRJFWEKZ-UHFFFAOYSA-N",null,3]
["D11108",18277,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277064","CC1CN(CCN1CCF)c1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)CO)c(c1)C#N",{"$nulls":3},2.4,{"$nulls":4},7]
["D11109",16322,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397734","CC1CN(CCO1)C(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C21H23N7O3/c1-13-12-28(4-5-31-13)20(29)11-25-16-6-15(8-23-17(16)7-22)18-9-26-19(10-24-18)27-21(30)14-2-3-14/h6,8-10,13-14,25H,2-5,11-12H2,1H3,(H,26,27,30)","WABCFDLYOVMLMK-UHFFFAOYSA-N",null,158]
["D11110",5079,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50547323","CC1CN(CCO1)c1cccc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N","InChI=1S/C25H26FN5O/c1-18-17-31(13-14-32-18)23-8-4-5-20-24(23)28-16-19(15-27)25(20)30-11-9-29(10-12-30)22-7-3-2-6-21(22)26/h2-8,16,18H,9-14,17H2,1H3","SLRRIYFSCAMKSY-UHFFFAOYSA-N",{"$nulls":3},7100]
["D11111",16881,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246057","CC1CN(CCO1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1","InChI=1S/C25H28N8O2/c1-18-16-33(8-11-35-18)24-19(13-26)12-20(14-29-24)23-4-5-27-25(31-23)30-21-2-3-22(28-15-21)17-32-6-9-34-10-7-32/h2-5,12,14-15,18H,6-11,16-17H2,1H3,(H,27,30,31)","NWHSVCZMJSLNPM-UHFFFAOYSA-N",null,"<1000",{"$nulls":4},7.5]
["D11112",17924,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570034","CC1CNC(Nc2cc(F)c(Oc3ccnc4[nH]cc(Cl)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D11113",17990,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569975","CC1COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(Cl)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D11114",3835,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66761","CC1COc2ccccc2N1C(=O)c1ccc(Cl)cc1","InChI=1S/C16H14ClNO2/c1-11-10-20-15-5-3-2-4-14(15)18(11)16(19)12-6-8-13(17)9-7-12/h2-9,11H,10H2,1H3","UILNYSZPKJYGPZ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11115",18008,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569993","CC1CSC(Nc2cc(F)c(Oc3ccnc4[nH]cc(Cl)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D11116",3954,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66861","CC1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)CCC(=O)NCc1ccc(C)o1","InChI=1S/C22H26N2O5S/c1-14-11-17-12-19(7-8-20(17)24(14)22(26)16-4-5-16)30(27,28)10-9-21(25)23-13-18-6-3-15(2)29-18/h3,6-8,12,14,16H,4-5,9-11,13H2,1-2H3,(H,23,25)","PICIDSBJNRYOBS-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11117",4019,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66921","CC1Cc2cc(ccc2O1)C(=O)C1C(N(Cc2cccnc2)C(=O)C1=O)c1cccc(O)c1","InChI=1S/C26H22N2O5/c1-15-10-19-11-18(7-8-21(19)33-15)24(30)22-23(17-5-2-6-20(29)12-17)28(26(32)25(22)31)14-16-4-3-9-27-13-16/h2-9,11-13,15,22-23,29H,10,14H2,1H3","YOEWXZBNIDXWIZ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11118",32273,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396661","CC1Cc2ccccc2CN1S(=O)(=O)c1cccc(c1)C(O)=O","InChI=1S/C17H17NO4S/c1-12-9-13-5-2-3-6-15(13)11-18(12)23(21,22)16-8-4-7-14(10-16)17(19)20/h2-8,10,12H,9,11H2,1H3,(H,19,20)","YCPLKHBZPBTFQE-UHFFFAOYSA-N",null,">30000"]
["D11119",4224,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66232","CC1Cc2ccccc2N1C(=O)C1CCN(CC1)S(=O)(=O)Cc1ccccc1","InChI=1S/C22H26N2O3S/c1-17-15-20-9-5-6-10-21(20)24(17)22(25)19-11-13-23(14-12-19)28(26,27)16-18-7-3-2-4-8-18/h2-10,17,19H,11-16H2,1H3","INPMHNJUCJQTRG-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11120",4354,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM41800","CC1Cc2ccccc2N1C(=O)c1ccc2n(C)nnc2c1","InChI=1S/C17H16N4O/c1-11-9-12-5-3-4-6-15(12)21(11)17(22)13-7-8-16-14(10-13)18-19-20(16)2/h3-8,10-11H,9H2,1-2H3","LBTDPRQVAPEDGK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11121",31758,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43561","CC1Cc2ccccc2N1Cc1cc(=O)n2ccsc2n1","InChI=1S/C16H15N3OS/c1-11-8-12-4-2-3-5-14(12)19(11)10-13-9-15(20)18-6-7-21-16(18)17-13/h2-7,9,11H,8,10H2,1H3","NQPNWKJSVGAUOE-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D11122",32274,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396662","CC1N(CCc2ccccc12)S(=O)(=O)c1cccc(c1)C(O)=O","InChI=1S/C17H17NO4S/c1-12-16-8-3-2-5-13(16)9-10-18(12)23(21,22)15-7-4-6-14(11-15)17(19)20/h2-8,11-12H,9-10H2,1H3,(H,19,20)","CKYDHLILOOYRDF-UHFFFAOYSA-N",null,">30000"]
["D11123",17950,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569934","CC1N=C(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5ccc(C#N)c(C)c5)c34)c(F)c2)OCC1CO",{"$nulls":3},">20000"]
["D11124",17948,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569932","CC1N=C(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5ccc(C#N)c(F)c5)c34)c(F)c2)OCC1CO",{"$nulls":3},">20000"]
["D11125",17952,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569936","CC1N=C(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5ccc(cc5C)C#N)c34)c(F)c2)OCC1CO",{"$nulls":3},">20000"]
["D11126",17947,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569931","CC1N=C(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5ccc(cc5F)C#N)c34)c(F)c2)OCC1CO",{"$nulls":3},">20000"]
["D11127",17951,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569935","CC1N=C(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5ccc(nc5)C#N)c34)c(F)c2)OCC1CO",{"$nulls":3},">20000"]
["D11128",17954,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569938","CC1N=C(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5cccc(F)c5C#N)c34)c(F)c2)OCC1CO",{"$nulls":3},">20000"]
["D11129",17957,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569942","CC1N=C(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5cccc(c5)C#N)c34)c(F)c2)OCC1CO",{"$nulls":3},">20000"]
["D11130",17824,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569839","CC1N=C(Nc2cc(F)c(Oc3ccnc4[nH]cc(c34)C(F)(F)F)c(F)c2)OCC1CO",{"$nulls":3},">20000"]
["D11131",17792,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569883","CC1N=C(Nc2cc(F)c(Oc3ccnc4[nH]ccc34)c(F)c2)OCC1CO",{"$nulls":3},">20000"]
["D11132",18020,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570005","CC1OCCCC1c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(F)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D11133",31893,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM518386","CC1Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1cc(Cl)cc(Cl)c1",{"$nulls":3},">50000"]
["D11134",31911,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50189952","CC1Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(Cl)c(Cl)c1","InChI=1S/C17H14Cl2N6S/c1-8-14(9-5-6-11(18)12(19)7-9)24-25-16(22-23-17(25)26-8)15-10-3-2-4-13(10)20-21-15/h5-8H,2-4H2,1H3,(H,20,21)","FXYPPPBQIAYYJT-UHFFFAOYSA-N",null,">50000"]
["D11135",31859,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50189973","CC1Sc2nnc(-c3cc(n[nH]3)-c3ccc(F)cc3)n2N=C1c1ccccc1","InChI=1S/C20H15FN6S/c1-12-18(14-5-3-2-4-6-14)26-27-19(24-25-20(27)28-12)17-11-16(22-23-17)13-7-9-15(21)10-8-13/h2-12H,1H3,(H,22,23)","FZNDXSOXXZDUFL-UHFFFAOYSA-N",null,">30000"]
["D11136",31817,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50189972","CC1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1c1ccccc1","InChI=1S/C20H16N6S/c1-13-18(15-10-6-3-7-11-15)25-26-19(23-24-20(26)27-13)17-12-16(21-22-17)14-8-4-2-5-9-14/h2-13H,1H3,(H,21,22)","OMXOROAIBLTXLR-UHFFFAOYSA-N",null,15000]
["D11137",17870,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569851","CCC(=O)N1CCC(=CC1)c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D11138",12189,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87326","CCC(=O)N1CCN(CC1)c1ccnc2cc(Cl)ccc12","InChI=1S/C16H18ClN3O/c1-2-16(21)20-9-7-19(8-10-20)15-5-6-18-14-11-12(17)3-4-13(14)15/h3-6,11H,2,7-10H2,1H3","SMCUMUSHPASMPO-UHFFFAOYSA-N",null,8038]
["D11139",16394,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478678","CCC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3nc(C)no3)c2)CC1","InChI=1S/C23H26N8O2/c1-3-21(32)31-10-8-30(9-11-31)14-16-6-7-24-20(12-16)28-23-26-18-5-4-17(13-19(18)27-23)22-25-15(2)29-33-22/h4-7,12-13H,3,8-11,14H2,1-2H3,(H2,24,26,27,28)","VYMQMHUPBOWMRO-UHFFFAOYSA-N",null,210]
["D11140",12017,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43148","CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccccc2)cc1","InChI=1S/C18H18N4O2S2/c1-2-15(23)21-17(25)19-13-8-10-14(11-9-13)20-18(26)22-16(24)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H2,19,21,23,25)(H2,20,22,24,26)","RLWFMLFVYYAAOA-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11141",4702,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66631","CCC(=O)NC(N)=Nc1nc(C)c2cc(C)c(C)cc2n1","InChI=1S/C15H19N5O/c1-5-13(21)19-14(16)20-15-17-10(4)11-6-8(2)9(3)7-12(11)18-15/h6-7H,5H2,1-4H3,(H3,16,17,18,19,20,21)","YDKSHHRXNDNKDE-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11142",31768,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43568","CCC(=O)NCCSc1c[nH]c2ccccc12","InChI=1S/C13H16N2OS/c1-2-13(16)14-7-8-17-12-9-15-11-6-4-3-5-10(11)12/h3-6,9,15H,2,7-8H2,1H3,(H,14,16)","YTBRZKAOHUJNPO-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D11143",17264,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153730","CCC(=O)Nc1ccc(Oc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1","InChI=1S/C22H28N8O2/c1-4-21(31)23-16-5-7-17(8-6-16)32-22-25-18(24-19-13-15(2)27-28-19)14-20(26-22)30-11-9-29(3)10-12-30/h5-8,13-14H,4,9-12H2,1-3H3,(H,23,31)(H2,24,25,26,27,28)","SFJBXXJTMGDYNG-UHFFFAOYSA-N",null,2500]
["D11144",15740,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278273","CCC(=O)Nc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C26H28N8O2/c1-2-24(35)31-23-8-3-18(13-19(23)14-27)25-28-17-29-26(32-25)30-20-4-6-21(7-5-20)33-9-11-34(12-10-33)22-15-36-16-22/h3-8,13,17,22H,2,9-12,15-16H2,1H3,(H,31,35)(H,28,29,30,32)","YQSUQZYBOULJEH-UHFFFAOYSA-N",null,40]
["D11145",17639,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153729","CCC(=O)Nc1cccc(Oc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)c1","InChI=1S/C22H28N8O2/c1-4-21(31)23-16-6-5-7-17(13-16)32-22-25-18(24-19-12-15(2)27-28-19)14-20(26-22)30-10-8-29(3)9-11-30/h5-7,12-14H,4,8-11H2,1-3H3,(H,23,31)(H2,24,25,26,27,28)","KWKLGZKSENJGLM-UHFFFAOYSA-N",null,">1.0e+4"]
["D11146",12086,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM5596","CCC(=O)Oc1c(C)c2oc(=O)cc(C)c2cc1C(=O)CC","InChI=1S/C17H18O5/c1-5-13(18)12-8-11-9(3)7-15(20)22-16(11)10(4)17(12)21-14(19)6-2/h7-8H,5-6H2,1-4H3","DKRDUEIHHXWBCF-UHFFFAOYSA-N",null,">3983"]
["D11147",368,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395735","CCC(=O)[Se]CC(CCCCCN)C(O)=O","InChI=1S/C11H21NO3Se/c1-2-10(13)16-8-9(11(14)15)6-4-3-5-7-12/h9H,2-8,12H2,1H3,(H,14,15)","BLOWBFVUAGFPRC-UHFFFAOYSA-N",null,1.1]
["D11148",369,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50275212","CCC(=O)[Se]CC(Cc1cnc(N)c(Cl)c1)C(O)=O","InChI=1S/C12H15ClN2O3Se/c1-2-10(16)19-6-8(12(17)18)3-7-4-9(13)11(14)15-5-7/h4-5,8H,2-3,6H2,1H3,(H2,14,15)(H,17,18)","DMSZKGIZIIXNLW-UHFFFAOYSA-N",null,1.5]
["D11149",4334,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66276","CCC(=O)c1ccc(N2CCN(CC2)C(=O)Cc2ccccc2)c(F)c1","InChI=1S/C21H23FN2O2/c1-2-20(25)17-8-9-19(18(22)15-17)23-10-12-24(13-11-23)21(26)14-16-6-4-3-5-7-16/h3-9,15H,2,10-14H2,1H3","WZIHESKQJGLETB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11150",12210,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87264","CCC(=O)c1ccc(O)c(CC=C(C)C)c1","InChI=1S/C14H18O2/c1-4-13(15)11-7-8-14(16)12(9-11)6-5-10(2)3/h5,7-9,16H,4,6H2,1-3H3","UVROICCSQKWCTF-UHFFFAOYSA-N",null,8770]
["D11151",11807,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87585","CCC(=O)c1ccc(Oc2nc3n(C)c(=O)n(C)c(=O)c3n2CC)cc1","InChI=1S/C18H20N4O4/c1-5-13(23)11-7-9-12(10-8-11)26-17-19-15-14(22(17)6-2)16(24)21(4)18(25)20(15)3/h7-10H,5-6H2,1-4H3","FBNXZXZTDRYJKK-UHFFFAOYSA-N",null,2870]
["D11152",16758,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397723","CCC(C#N)N(C)C(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C21H22N8O2/c1-3-15(7-22)29(2)20(30)12-26-16-6-14(9-24-17(16)8-23)18-10-27-19(11-25-18)28-21(31)13-4-5-13/h6,9-11,13,15,26H,3-5,12H2,1-2H3,(H,27,28,31)","DTJIUCRNAGYWGQ-UHFFFAOYSA-N",null,631]
["D11153",31766,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43566","CCC(C(=O)Nc1ccccc1OC)n1c(cc2ccsc12)C(=O)OC","InChI=1S/C19H20N2O4S/c1-4-14(17(22)20-13-7-5-6-8-16(13)24-2)21-15(19(23)25-3)11-12-9-10-26-18(12)21/h5-11,14H,4H2,1-3H3,(H,20,22)","DZKOKBITKSAHDQ-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D11154",32124,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46415","CCC(C)(C)c1ccc(OCCCC[n+]2cccc(C)c2)c(c1)C(C)(C)CC","InChI=1S/C26H40NO/c1-8-25(4,5)22-14-15-24(23(19-22)26(6,7)9-2)28-18-11-10-16-27-17-12-13-21(3)20-27/h12-15,17,19-20H,8-11,16,18H2,1-7H3/q+1","PDJZSOPTHHVYSX-UHFFFAOYSA-N",null,">55700"]
["D11155",12330,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM4206","CCC(C)(C)n1nnnc1CN1CCC(CC1)n1c(C)nc2cc(ccc12)C(F)(F)F","InChI=1S/C21H28F3N7/c1-5-20(3,4)31-19(26-27-28-31)13-29-10-8-16(9-11-29)30-14(2)25-17-12-15(21(22,23)24)6-7-18(17)30/h6-7,12,16H,5,8-11,13H2,1-4H3","ZLBZVPVYKSJJLI-UHFFFAOYSA-N",null,">35875"]
["D11156",588,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089695","CCC(C)C(C)NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C22H42N4O4/c1-4-15(2)16(3)24-20(27)19(14-17-10-6-5-7-11-17)26-22(30)25-18(21(28)29)12-8-9-13-23/h15-19H,4-14,23H2,1-3H3,(H,24,27)(H,28,29)(H2,25,26,30)/t15?,16?,18-,19+/m0/s1","QESTYHACMRZORU-YVZJPGBNSA-N",null,190]
["D11157",31915,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM438792","CCC(C)C1Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(OC)cc1",{"$nulls":3},">50000"]
["D11158",31916,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM438793","CCC(C)C1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1c1ccc(OC)cc1",{"$nulls":3},">50000"]
["D11159",15974,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50448985","CCC(C)CNC(=O)c1cc(cs1)-c1cnc2nc([nH]c2c1)-c1ccc(OC)cc1","InChI=1S/C23H24N4O2S/c1-4-14(2)11-25-23(28)20-10-17(13-30-20)16-9-19-22(24-12-16)27-21(26-19)15-5-7-18(29-3)8-6-15/h5-10,12-14H,4,11H2,1-3H3,(H,25,28)(H,24,26,27)","WJOZIBBXHBCESC-UHFFFAOYSA-N",null,89]
["D11160",32123,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46414","CCC(C)NC(=S)Nc1ccc(cc1)C(=O)OC","InChI=1S/C13H18N2O2S/c1-4-9(2)14-13(18)15-11-7-5-10(6-8-11)12(16)17-3/h5-9H,4H2,1-3H3,(H2,14,15,18)","VOOXZQXIJVBGSN-UHFFFAOYSA-N",null,">55700"]
["D11161",4195,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67078","CCC(C)Nc1nnc(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)s1","InChI=1S/C15H20N6O3S2/c1-3-7(2)17-13-19-20-15(26-13)25-6-9(22)10-11(16)21(8-4-5-8)14(24)18-12(10)23/h7-8H,3-6,16H2,1-2H3,(H,17,19)(H,18,23,24)","WMWXCHLCUCQYJJ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11162",3731,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66356","CCC(C)[C@@H](C(=O)NCC1CCC(CC1)C(O)=O)n1nnc2ccccc2c1=O","InChI=1S/C21H28N4O4/c1-3-13(2)18(25-20(27)16-6-4-5-7-17(16)23-24-25)19(26)22-12-14-8-10-15(11-9-14)21(28)29/h4-7,13-15,18H,3,8-12H2,1-2H3,(H,22,26)(H,28,29)/t13?,14?,15?,18-/m0/s1","USUQFNCQIMZJIS-VLVBFLKRSA-N",{"$nulls":3},">350000"]
["D11163",18532,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50225471","CCC(C)[C@H](NC(=O)n1ccnc1)C(=O)OC","InChI=1S/C11H17N3O3/c1-4-8(2)9(10(15)17-3)13-11(16)14-6-5-12-7-14/h5-9H,4H2,1-3H3,(H,13,16)/t8?,9-/m0/s1","QLCZRVNGTHQFFC-GKAPJAKFSA-N",1220000]
["D11164",31834,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67130","CCC(C)c1ccc(cc1)-c1csc(Cn2c(CN3CCN(C)CC3)nc3ccccc3c2=O)n1","InChI=1S/C28H33N5OS/c1-4-20(2)21-9-11-22(12-10-21)25-19-35-27(30-25)18-33-26(17-32-15-13-31(3)14-16-32)29-24-8-6-5-7-23(24)28(33)34/h5-12,19-20H,4,13-18H2,1-3H3","GILSLIZEYPBWAI-UHFFFAOYSA-N",null,">18562"]
["D11165",16784,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478363","CCC(C)c1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1",{"$nulls":3},685]
["D11166",32177,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43616","CCC(CC)NC(=O)Cc1ccccc1[N+]([O-])=O","InChI=1S/C13H18N2O3/c1-3-11(4-2)14-13(16)9-10-7-5-6-8-12(10)15(17)18/h5-8,11H,3-4,9H2,1-2H3,(H,14,16)","JGYCENHXKFGXSK-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D11167",437,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109260","CCC(CN)CC(Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O","InChI=1S/C18H31N3O2/c1-3-14(10-19)8-15(18(22)23)9-16-11-21(12-20-16)17-6-4-13(2)5-7-17/h11-15,17H,3-10,19H2,1-2H3,(H,22,23)/t13-,14?,15?,17-","XGTOBTPXSATSQK-QHEDMNIESA-N",null,10]
["D11168",449,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326388","CCC(CN)CC1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccc1","InChI=1S/C18H23N3O2/c1-2-13(10-19)8-14-9-18(14,17(22)23)16-11-21(12-20-16)15-6-4-3-5-7-15/h3-7,11-14H,2,8-10,19H2,1H3,(H,22,23)/t13?,14?,18-/m1/s1","AUTWIRMPGHMXAD-WTNGLUPJSA-N",null,13]
["D11169",13655,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19264438","CCC(CN)CC1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccc2","InChI=1S/C18H23N3O2/c1-2-13(10-19)8-14-9-18(14,17(22)23)16-11-21(12-20-16)15-6-4-3-5-7-15/h3-7,11-14H,2,8-10,19H2,1H3,(H,22,23)/t13?,14?,18-/m1/s2","AUTWIRMPGHMXAD-WTNGLUPJSA-N",-11033.7633590863,52.1094041842154,33641.366472807,{"$nulls":3},6.737286387942]
["D11170",4230,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66236","CCC(N1CCCC1)=C1C(=O)CC(C)(C)C(C(=O)OC)C1=O","InChI=1S/C17H25NO4/c1-5-11(18-8-6-7-9-18)13-12(19)10-17(2,3)14(15(13)20)16(21)22-4/h14H,5-10H2,1-4H3","DIXAWOKKVCXKMB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11171",32012,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67119","CCC(N1CCN(CC1)S(=O)(=O)c1ccc2CCCc2c1)C(=O)Nc1ccccc1","InChI=1S/C23H29N3O3S/c1-2-22(23(27)24-20-9-4-3-5-10-20)25-13-15-26(16-14-25)30(28,29)21-12-11-18-7-6-8-19(18)17-21/h3-5,9-12,17,22H,2,6-8,13-16H2,1H3,(H,24,27)","JOPQHAKSDYGOQN-UHFFFAOYSA-N",null,">55690"]
["D11172",3760,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66375","CCC(NC(=O)c1cccc(Cn2cc(cn2)[N+]([O-])=O)c1)c1ccc(cc1)C(C)C","InChI=1S/C23H26N4O3/c1-4-22(19-10-8-18(9-11-19)16(2)3)25-23(28)20-7-5-6-17(12-20)14-26-15-21(13-24-26)27(29)30/h5-13,15-16,22H,4,14H2,1-3H3,(H,25,28)","ZKXPVBFMXGXDAG-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11173",14911,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397637","CCC(Nc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)C","InChI=1S/C21H24N6O2/c1-4-16(21(29)27(2)3)25-17-9-14(7-8-15(17)10-22)18-11-24-19(12-23-18)26-20(28)13-5-6-13/h7-9,11-13,16,25H,4-6H2,1-3H3,(H,24,26,28)","PTXXFKSLPIFMLU-UHFFFAOYSA-N",null,7.94]
["D11174",15271,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397660","CCC(Nc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)CCO","InChI=1S/C22H26N6O3/c1-3-17(22(31)28(2)8-9-29)26-18-10-15(6-7-16(18)11-23)19-12-25-20(13-24-19)27-21(30)14-4-5-14/h6-7,10,12-14,17,26,29H,3-5,8-9H2,1-2H3,(H,25,27,30)","OAQLRVYYUQIODG-UHFFFAOYSA-N",null,15.8]
["D11175",15806,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397667","CCC(Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)C1CC1","InChI=1S/C22H25N7O2/c1-3-16(22(31)29(2)15-6-7-15)27-17-8-14(10-24-18(17)9-23)19-11-26-20(12-25-19)28-21(30)13-4-5-13/h8,10-13,15-16,27H,3-7H2,1-2H3,(H,26,28,30)","RNFHSFYBGNLGMG-UHFFFAOYSA-N",null,50.1]
["D11176",16272,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397666","CCC(Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)CCO","InChI=1S/C21H25N7O3/c1-3-15(21(31)28(2)6-7-29)26-16-8-14(10-23-17(16)9-22)18-11-25-19(12-24-18)27-20(30)13-4-5-13/h8,10-13,15,26,29H,3-7H2,1-2H3,(H,25,27,30)","XGGHYTBLDKZVLP-UHFFFAOYSA-N",null,126]
["D11177",4275,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66269","CCC(Sc1nc2cc3OCOc3cc2c(=O)n1Cc1ccco1)C(=O)Nc1cccc(OC)c1","InChI=1S/C25H23N3O6S/c1-3-22(23(29)26-15-6-4-7-16(10-15)31-2)35-25-27-19-12-21-20(33-14-34-21)11-18(19)24(30)28(25)13-17-8-5-9-32-17/h4-12,22H,3,13-14H2,1-2H3,(H,26,29)","RWASAWMTBPTLTO-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11178",4717,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66645","CCC(Sc1nc2cc3OCOc3cc2c(=O)n1Cc1ccco1)C(=O)Nc1ccccc1CC","InChI=1S/C26H25N3O5S/c1-3-16-8-5-6-10-19(16)27-24(30)23(4-2)35-26-28-20-13-22-21(33-15-34-22)12-18(20)25(31)29(26)14-17-9-7-11-32-17/h5-13,23H,3-4,14-15H2,1-2H3,(H,27,30)","HOQCBVDPIFERQK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11179",4760,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66681","CCC(Sc1ncccc1Nc1ccccn1)C(O)=O","InChI=1S/C14H15N3O2S/c1-2-11(14(18)19)20-13-10(6-5-9-16-13)17-12-7-3-4-8-15-12/h3-9,11H,2H2,1H3,(H,15,17)(H,18,19)","ZRDJNFYUQHJBIM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11180",4472,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66443","CCC1(C2c3ccccc3OC(=O)C12C(=O)Nc1ccccc1)C(=O)c1ccc(Cl)cc1","InChI=1S/C26H20ClNO4/c1-2-25(22(29)16-12-14-17(27)15-13-16)21-19-10-6-7-11-20(19)32-24(31)26(21,25)23(30)28-18-8-4-3-5-9-18/h3-15,21H,2H2,1H3,(H,28,30)","LCHKXPXWDLBGEY-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11181",17807,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569901","CCC1(CC)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5ccc(OC(C)C)c(c5)C#N)c34)c(F)c2)=NC1","InChI=1S/C31H31F2N5O3/c1-5-31(6-2)16-37-30(39-17-31)38-21-12-23(32)28(24(33)13-21)41-26-9-10-35-29-27(26)22(15-36-29)19-7-8-25(40-18(3)4)20(11-19)14-34/h7-13,15,18H,5-6,16-17H2,1-4H3,(H,35,36)(H,37,38)","JQXYARQTBDGXAK-UHFFFAOYSA-N",null,">20000"]
["D11182",25862,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit alpha-1C/L-type calcium channel subunit beta-3/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM327850","CCC1=CC2C(C[C@@]2(CN)Cc2nn[nH]n2)C1",{"$nulls":3},165]
["D11183",25816,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit alpha-1C/L-type calcium channel subunit beta-3/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM327851","CCC1=CC2C(C[C@]2(CN)Cc2nn[nH]n2)C1",{"$nulls":3},2.1]
["D11184",25840,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit alpha-1C/L-type calcium channel subunit beta-3/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM327849","CCC1=C[C@@H]2[C@@H](C[C@]2(CN)Cc2nc(=O)o[nH]2)C1",{"$nulls":3},19]
["D11185",25821,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit alpha-1C/L-type calcium channel subunit beta-3/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM327848","CCC1=C[C@@H]2[C@@H](C[C@]2(CN)Cc2nn[nH]n2)C1",{"$nulls":3},4.2]
["D11186",453,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109240","CCC1CC(C1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C15H25N3O2/c1-2-11-6-14(7-11)18-9-13(17-10-18)8-12(15(19)20)4-3-5-16/h9-12,14H,2-8,16H2,1H3,(H,19,20)","NAMYEQZWSGWUPW-UHFFFAOYSA-N",null,14]
["D11187",13659,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19265218","CCC1CC(C1)n1cnc(CC(CCCN)C(O)=O)c2","InChI=1S/C15H25N3O2/c1-2-11-6-14(7-11)18-9-13(17-10-18)8-12(15(19)20)4-3-5-16/h9-12,14H,2-8,16H2,1H3,(H,19,20)","NAMYEQZWSGWUPW-UHFFFAOYSA-N",-11442.4048936022,53.2335195019228,33643.904429589,{"$nulls":3},6.73728815342937]
["D11188",3972,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM54849","CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(C)(=O)=O)cc1","InChI=1S/C19H23ClN4O5S2/c1-3-14-6-4-5-11-24(14)31(28,29)15-9-7-13(8-10-15)22-18(25)17-16(20)12-21-19(23-17)30(2,26)27/h7-10,12,14H,3-6,11H2,1-2H3,(H,22,25)","ISAAEPNCJSJWPZ-UHFFFAOYSA-N",{"$nulls":3},4172]
["D11189",32118,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46409","CCC1N(Cc2nc(oc2C)-c2ccc(cc2)-c2ccccc2)CCNC1=O","InChI=1S/C23H25N3O2/c1-3-21-22(27)24-13-14-26(21)15-20-16(2)28-23(25-20)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,21H,3,13-15H2,1-2H3,(H,24,27)","FUSSCZQVVQIIPW-UHFFFAOYSA-N",null,">55700"]
["D11190",12115,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM58327","CCCC(=O)NC(c1ccc(Cl)cc1)c1ccc2cccnc2c1O","InChI=1S/C20H19ClN2O2/c1-2-4-17(24)23-18(14-6-9-15(21)10-7-14)16-11-8-13-5-3-12-22-19(13)20(16)25/h3,5-12,18,25H,2,4H2,1H3,(H,23,24)","WUYUBRRFSCEXCC-UHFFFAOYSA-N",null,4704]
["D11191",12221,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM77578","CCCC(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O","InChI=1S/C20H18Cl2N2O2/c1-2-4-17(25)24-19(14-9-7-13(21)11-16(14)22)15-8-6-12-5-3-10-23-18(12)20(15)26/h3,5-11,19,26H,2,4H2,1H3,(H,24,25)","VUZPLTKIMHSUFJ-UHFFFAOYSA-N",null,10138]
["D11192",12176,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM77529","CCCC(=O)NC(c1ccc2OCOc2c1)c1cc(Cl)c2cccnc2c1O","InChI=1S/C21H19ClN2O4/c1-2-4-18(25)24-19(12-6-7-16-17(9-12)28-11-27-16)14-10-15(22)13-5-3-8-23-20(13)21(14)26/h3,5-10,19,26H,2,4,11H2,1H3,(H,24,25)","BIQMEYCMAGHOEQ-UHFFFAOYSA-N",null,7710]
["D11193",18551,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50479191","CCCC(=O)N[C@@H](C(C)C)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)c(Br)c2)N(C)C(=O)[C@H]([C@@H](C)CC)N2[C@H](O)CC[C@H](NC(=O)[C@H](CCCCN)NC1=O)C2=O)C(C)C","InChI=1S/C46H73BrN8O11/c1-11-15-34(56)51-36(24(3)4)42(60)53-38-27(8)66-46(64)37(25(5)6)52-41(59)32(23-28-17-19-33(65-10)29(47)22-28)54(9)45(63)39(26(7)12-2)55-35(57)20-18-31(44(55)62)50-40(58)30(49-43(38)61)16-13-14-21-48/h17,19,22,24-27,30-32,35-39,57H,11-16,18,20-21,23,48H2,1-10H3,(H,49,61)(H,50,58)(H,51,56)(H,52,59)(H,53,60)/t26-,27+,30-,31-,32-,35+,36-,37-,38-,39-/m0/s1","BESCRSMOIPNLKZ-PKCAXSCZSA-N",null,">67000"]
["D11194",18548,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50479190","CCCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2[C@H](O)CC[C@H](NC(=O)\\C(NC1=O)=C\\C)C2=O)C(C)C","InChI=1S/C46H62N8O12/c1-7-12-36(57)48-31(19-21-35(47)56)41(60)52-39-26(5)66-46(65)38(25(3)4)51-42(61)33(23-28-15-17-29(55)18-16-28)53(6)45(64)34(24-27-13-10-9-11-14-27)54-37(58)22-20-32(44(54)63)50-40(59)30(8-2)49-43(39)62/h8-11,13-18,25-26,31-34,37-39,55,58H,7,12,19-24H2,1-6H3,(H2,47,56)(H,48,57)(H,49,62)(H,50,59)(H,51,61)(H,52,60)/b30-8-/t26-,31+,32+,33+,34+,37-,38+,39+/m1/s1","QNGONASSDVVIFN-UAMDCIPZSA-N",null,4200]
["D11195",4090,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66980","CCCC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2OP([O-])(=O)OC[C@H]2[C@H]1OC(=O)CCC","InChI=1S/C18H24N5O8P/c1-3-5-11(24)22-15-13-16(20-8-19-15)23(9-21-13)17-14(29-12(25)6-4-2)10-7-28-32(26,27)31-18(10)30-17/h8-10,14,17-18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24)/p-1/t10-,14+,17+,18+/m0/s1","ZKSUYDZTGVUZGX-VBJMPTANSA-M",{"$nulls":3},">350000"]
["D11196",31681,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50569071","CCCC(C)Oc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N[C@@H](C)c4ccc(OC)cc4)sc3c2)c(OC)c1C","InChI=1S/C32H37N3O5S2/c1-7-8-19(2)40-27-16-14-25(30(39-6)20(27)3)31(37)34-23-11-15-26-28(17-23)42-32(35-26)41-18-29(36)33-21(4)22-9-12-24(38-5)13-10-22/h9-17,19,21H,7-8,18H2,1-6H3,(H,33,36)(H,34,37)/t19?,21-/m0/s1","NNSKHOBWYYGACP-QWAKEFERSA-N",null,320]
["D11197",31682,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50569070","CCCC(C)Oc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N[C@@H](C)c4ccccc4)sc3c2)c(OC)c1C","InChI=1S/C31H35N3O4S2/c1-6-10-19(2)38-26-16-14-24(29(37-5)20(26)3)30(36)33-23-13-15-25-27(17-23)40-31(34-25)39-18-28(35)32-21(4)22-11-8-7-9-12-22/h7-9,11-17,19,21H,6,10,18H2,1-5H3,(H,32,35)(H,33,36)/t19?,21-/m0/s1","YDLNHZCBARMOQT-QWAKEFERSA-N",null,350]
["D11198",25455,"7e88_L",0.3,"Spike protein S1","DNA polymerase kappa","Homo sapiens","BDBM50448690","CCCCC(=O)C=C(C)C=CCCC(=O)N1CCCC1=O","InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5,8,13H,3-4,6-7,9-12H2,1-2H3","SHWIXYZQCHEFEH-UHFFFAOYSA-N",null,">200000"]
["D11199",12116,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM64729","CCCCC(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O","InChI=1S/C21H20Cl2N2O2/c1-2-3-6-18(26)25-20(15-10-8-14(22)12-17(15)23)16-9-7-13-5-4-11-24-19(13)21(16)27/h4-5,7-12,20,27H,2-3,6H2,1H3,(H,25,26)","RBZNNYFJAHVKOM-UHFFFAOYSA-N",null,4709]
["D11200",12227,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM6764","CCCCC(=O)Nc1cccn2ncnc12","InChI=1S/C11H14N4O/c1-2-3-6-10(16)14-9-5-4-7-15-11(9)12-8-13-15/h4-5,7-8H,2-3,6H2,1H3,(H,14,16)","PVBKJFDXXZWLNX-UHFFFAOYSA-N",null,10863]
["D11201",12142,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM7042","CCCCC(CC)COCCCNC=C1C(=O)NC(=S)NC1=O","InChI=1S/C16H27N3O3S/c1-3-5-7-12(4-2)11-22-9-6-8-17-10-13-14(20)18-16(23)19-15(13)21/h10,12,17H,3-9,11H2,1-2H3,(H2,18,19,20,21,23)","HZGJVIYWHPTDTC-UHFFFAOYSA-N",null,5739]
["D11202",12396,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM34320","CCCCC(CC)Cn1c2nc(C)oc(=N)c2c2nc3ccccc3nc12","InChI=1S/C21H25N5O/c1-4-6-9-14(5-2)12-26-20-17(19(22)27-13(3)23-20)18-21(26)25-16-11-8-7-10-15(16)24-18/h7-8,10-11,14,22H,4-6,9,12H2,1-3H3/b22-19-","NKQWDOUKDKCFPN-QOCHGBHMSA-N",{"$nulls":3},84320]
["D11203",12032,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43163","CCCCC(CC)c1nnc(NC(=O)c2cccs2)s1","InChI=1S/C14H19N3OS2/c1-3-5-7-10(4-2)13-16-17-14(20-13)15-12(18)11-8-6-9-19-11/h6,8-10H,3-5,7H2,1-2H3,(H,15,17,18)","WEKAPFWWYGJNGM-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11204",18534,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50025852","CCCCC(NC(=O)n1ccnc1)C(=O)OC","InChI=1S/C11H17N3O3/c1-3-4-5-9(10(15)17-2)13-11(16)14-7-6-12-8-14/h6-9H,3-5H2,1-2H3,(H,13,16)","JMRLOWOPBJTHSV-UHFFFAOYSA-N",1940000]
["D11205",4079,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66972","CCCCC1CCC(CC1)C(=O)N(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O","InChI=1S/C26H38N4O3/c1-4-5-9-19-12-14-21(15-13-19)25(32)29(16-18(2)3)22-23(27)30(26(33)28-24(22)31)17-20-10-7-6-8-11-20/h6-8,10-11,18-19,21H,4-5,9,12-17,27H2,1-3H3,(H,28,31,33)","WXCYLYXOCBLNNC-UHFFFAOYSA-N",{"$nulls":3},5645]
["D11206",31917,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM438794","CCCCC1Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(Cl)c(Cl)c1",{"$nulls":3},">50000"]
["D11207",4699,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66628","CCCCCC(=O)N1CCCC1","InChI=1S/C10H19NO/c1-2-3-4-7-10(12)11-8-5-6-9-11/h2-9H2,1H3","PGMGOZXFOTVSIX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11208",18546,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50429202","CCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2[C@H](O)CC[C@H](NC(=O)\\C(NC1=O)=C\\C)C2=O)C(C)C","InChI=1S/C48H66N8O12/c1-7-9-11-16-38(59)50-33(21-23-37(49)58)43(62)54-41-28(5)68-48(67)40(27(3)4)53-44(63)35(25-30-17-19-31(57)20-18-30)55(6)47(66)36(26-29-14-12-10-13-15-29)56-39(60)24-22-34(46(56)65)52-42(61)32(8-2)51-45(41)64/h8,10,12-15,17-20,27-28,33-36,39-41,57,60H,7,9,11,16,21-26H2,1-6H3,(H2,49,58)(H,50,59)(H,51,64)(H,52,61)(H,53,63)(H,54,62)/b32-8-/t28-,33+,34+,35+,36+,39-,40+,41+/m1/s1","DZIGKKCSWPSVIO-SWEGFNRNSA-N",null,2500]
["D11209",31719,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50016098","CCCCCC(=O)O[C@@H]1C=C2COC(=O)C2(O)[C@@]2(C)CCCC(C)(C)[C@H]12","InChI=1S/C21H32O5/c1-5-6-7-9-16(22)26-15-12-14-13-25-18(23)21(14,24)20(4)11-8-10-19(2,3)17(15)20/h12,15,17,24H,5-11,13H2,1-4H3/t15-,17+,20+,21?/m1/s1","ROECGAWNHRGIRN-RILOYPOQSA-N",null,11800]
["D11210",31990,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50016099","CCCCCC(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)[C@H](O)CCC(C)(C)[C@H]12","InChI=1S/C21H32O6/c1-5-6-7-8-16(23)27-14-11-13-12-26-18(24)21(13,25)20(4)15(22)9-10-19(2,3)17(14)20/h11,14-15,17,22,25H,5-10,12H2,1-4H3/t14-,15-,17+,20+,21+/m1/s1","AKSMCYXVBDZJRK-QOGIMEQTSA-N",null,50700]
["D11211",3730,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66355","CCCCCCC(=O)Nc1cc2c(C)cc(=O)oc2cc1C","InChI=1S/C18H23NO3/c1-4-5-6-7-8-17(20)19-15-11-14-12(2)10-18(21)22-16(14)9-13(15)3/h9-11H,4-8H2,1-3H3,(H,19,20)","HELUEMOUPYFJAC-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11212",31650,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50156353","CCCCCCC1NC(CO)C(O)C(O)C1O","InChI=1S/C12H25NO4/c1-2-3-4-5-6-8-10(15)12(17)11(16)9(7-14)13-8/h8-17H,2-7H2,1H3","CNCWFVJLRHKDJX-UHFFFAOYSA-N",null,12000]
["D11213",25783,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Sarcoplasmic/endoplasmic reticulum calcium ATPase 2","Rattus norvegicus","BDBM50527063","CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC","InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32+,33+,34+/m0/s1","IXFPJGBNCFXKPI-IEHLVASASA-N",null,210]
["D11214",4570,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66521","CCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CCC)c1=O","InChI=1S/C22H31N3O4/c1-3-5-6-7-8-9-14-18(26)23-24-21(28)19-20(27)16-12-10-11-13-17(16)25(15-4-2)22(19)29/h10-13,27H,3-9,14-15H2,1-2H3,(H,23,26)(H,24,28)","VPRXXFCMSNHHCI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11215",31651,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50156356","CCCCCCCCC1NC(CO)C(O)C(O)C1O","InChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-10-12(17)14(19)13(18)11(9-16)15-10/h10-19H,2-9H2,1H3","IIHXPVAHXKBRBL-UHFFFAOYSA-N",null,27000]
["D11216",31659,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50156360","CCCCCCCCCC1NC(CO)C(O)C(O)C1O","InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-11-13(18)15(20)14(19)12(10-17)16-11/h11-20H,2-10H2,1H3","PMSTUSHNMMAWCI-UHFFFAOYSA-N",null,150000]
["D11217",25444,"7e88_L",0.3,"Spike protein S1","DNA polymerase kappa","Homo sapiens","BDBM50356642","CCCCCCCCCCCC(=O)Oc1cccc2C(=O)C=CC(=O)c12","InChI=1S/C22H28O4/c1-2-3-4-5-6-7-8-9-10-14-21(25)26-20-13-11-12-17-18(23)15-16-19(24)22(17)20/h11-13,15-16H,2-10,14H2,1H3","PGQZEUKITDGNDJ-UHFFFAOYSA-N",null,6800]
["D11218",11496,"7lo4_B",0.3,"Spike protein S1","Dual specificity phosphatase Cdc25B","Mus musculus","BDM50104674","CCCCCCCCCCCCCCCC(=O)C1=C(O)O[C@H](CC(=O)Oc2ccc(cc2)C2(N=N2)C(F)(F)F)C1=O","InChI=1S/C30H39F3N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(36)26-27(38)24(41-28(26)39)20-25(37)40-22-18-16-21(17-19-22)29(34-35-29)30(31,32)33/h16-19,24,39H,2-15,20H2,1H3/t24-/m1/s1","PTNQXIRXLRYVNG-XMMPIXPASA-N",null,600]
["D11219",11522,"7lo4_B",0.3,"Spike protein S1","Dual specificity phosphatase Cdc25B","Mus musculus","BDM50104680","CCCCCCCCCCCCCCCC(=O)C1=C(OC)[C@@H](CO)OC1=O","InChI=1S/C22H38O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(24)20-21(26-2)19(17-23)27-22(20)25/h19,23H,3-17H2,1-2H3/t19-/m1/s1","LOACEWFPBNGTDM-LJQANCHMSA-N",null,">125000"]
["D11220",11498,"7lo4_B",0.3,"Spike protein S1","Dual specificity phosphatase Cdc25B","Mus musculus","BDM50104677","CCCCCCCCCCCCCCCC(=O)C1C(=O)OC(=C)C1=O","InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(22)19-20(23)17(2)25-21(19)24/h19H,2-16H2,1H3","CBAJICLXNWJUJE-UHFFFAOYSA-N",null,1100]
["D11221",27,"7dx1_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403033","CCCCCCCCCCCCCCCC(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C","InChI=1S/C23H46N2O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26)24-21(19-23(27)28)20-25(2,3)4/h21H,5-20H2,1-4H3,(H-,24,26,27,28)/t21-/m1/s1","IUBZDMWVMKIBIS-OAQYLSRUSA-N",null,140]
["D11222",11505,"7lo4_B",0.3,"Spike protein S1","Dual specificity phosphatase Cdc25B","Mus musculus","BDM50104700","CCCCCCCCCCCCCCCC(=O)c1c(O)coc1O","InChI=1S/C20H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(21)19-18(22)16-24-20(19)23/h16,22-23H,2-15H2,1H3","RMBNPKHVQZHDRI-UHFFFAOYSA-N",null,3000]
["D11223",11509,"7lo4_B",0.3,"Spike protein S1","Dual specificity phosphatase Cdc25B","Mus musculus","BDM50104683","CCCCCCCCCCCCCCCC(=O)c1c(O)oc(C)c1O","InChI=1S/C21H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(22)19-20(23)17(2)25-21(19)24/h23-24H,3-16H2,1-2H3","CSJFWMQFHHPXCJ-UHFFFAOYSA-N",null,3700]
["D11224",11503,"7lo4_B",0.3,"Spike protein S1","Dual specificity phosphatase Cdc25B","Mus musculus","BDM50104697","CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CC(=O)OC)c1O","InChI=1S/C23H38O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(24)21-22(26)19(29-23(21)27)17-20(25)28-2/h26-27H,3-17H2,1-2H3","YCKPCOMGFKMPNZ-UHFFFAOYSA-N",null,2200]
["D11225",11499,"7lo4_B",0.3,"Spike protein S1","Dual specificity phosphatase Cdc25B","Mus musculus","BDM50104676","CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CC(=O)OCCCCCCCCC)c1O","InChI=1S/C31H54O6/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-26(32)29-30(34)27(37-31(29)35)25-28(33)36-24-22-20-18-10-8-6-4-2/h34-35H,3-25H2,1-2H3","MMUSQBDBCHNSAZ-UHFFFAOYSA-N",null,1200]
["D11226",11494,"7lo4_B",0.3,"Spike protein S1","Dual specificity phosphatase Cdc25B","Mus musculus","BDM50104691","CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CC(=O)O[C-]([N+]#N)C(=O)OCC)c1O","InChI=1S/C26H40N2O8/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19(29)22-23(31)20(35-25(22)32)18-21(30)36-24(28-27)26(33)34-4-2/h31-32H,3-18H2,1-2H3","IFNYEHCRPMJZDD-UHFFFAOYSA-N",null,400]
["D11227",11495,"7lo4_B",0.3,"Spike protein S1","Dual specificity phosphatase Cdc25B","Mus musculus","BDM50104690","CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CC(=O)Oc2ccc(cc2)C(=O)c2ccccc2)c1O","InChI=1S/C35H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-29(36)32-34(39)30(42-35(32)40)25-31(37)41-28-23-21-27(22-24-28)33(38)26-18-15-14-16-19-26/h14-16,18-19,21-24,39-40H,2-13,17,20,25H2,1H3","IJUKBEQOOLQDSL-UHFFFAOYSA-N",null,520]
["D11228",11493,"7lo4_B",0.3,"Spike protein S1","Dual specificity phosphatase Cdc25B","Mus musculus","BDM50104684","CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CC(=O)Oc2cccc(c2)C(=O)c2ccccc2)c1O","InChI=1S/C35H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-23-29(36)32-34(39)30(42-35(32)40)25-31(37)41-28-22-18-21-27(24-28)33(38)26-19-15-14-16-20-26/h14-16,18-22,24,39-40H,2-13,17,23,25H2,1H3","PKFHSJIRMSUMCG-UHFFFAOYSA-N",null,380]
["D11229",11504,"7lo4_B",0.3,"Spike protein S1","Dual specificity phosphatase Cdc25B","Mus musculus","BDM50104694","CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CO)c1O","InChI=1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25/h22,24-25H,2-16H2,1H3","BKBKOAWPAIKUCJ-UHFFFAOYSA-N",null,2200]
["D11230",11500,"7lo4_B",0.3,"Spike protein S1","Dual specificity phosphatase Cdc25B","Mus musculus","BDM50104681","CCCCCCCCCCCCCCCC(=O)c1c(O)oc(COS(C)(=O)=O)c1O","InChI=1S/C22H38O7S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(23)20-21(24)19(29-22(20)25)17-28-30(2,26)27/h24-25H,3-17H2,1-2H3","IUEMBSVOQDIHMO-UHFFFAOYSA-N",null,1400]
["D11231",3728,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Scavenger receptor type A","Mus musculus","BDBM50146375","CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(c(NC(=O)CCCCCCCCCCCCCCCCC)c1)S([O-])(=O)=O","InChI=1S/C42H76N2O5S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)43-38-35-36-40(50(47,48)49)39(37-38)44-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-37H,3-34H2,1-2H3,(H,43,45)(H,44,46)(H,47,48,49)/p-1","GXLAJBSPXFFYSO-UHFFFAOYSA-M",null,2000]
["D11232",41,"7dx1_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50284164","CCCCCCCCCCCCCCCC[C@@]1(O)C[N+](C)(C)CCO1","InChI=1S/C22H46NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(24)21-23(2,3)19-20-25-22/h24H,4-21H2,1-3H3/q+1/t22-/m0/s1","YEQJDGNZWPTPII-QFIPXVFZSA-N",null,235000]
["D11233",24,"7dx1_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50046145","CCCCCCCCCCCCCCC[C@@]1(O)C[N+](C)(C)C[C@@H](CC([O-])=O)O1","InChI=1S/C23H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)20-24(2,3)19-21(28-23)18-22(25)26/h21,27H,4-20H2,1-3H3/t21-,23+/m1/s1","SPDGRWIGMIHIAC-GGAORHGYSA-N",160]
["D11234",28,"7dx1_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50122839","CCCCCCCCCCCCCCNC(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C","InChI=1S/C22H45N3O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-23-22(28)24-20(18-21(26)27)19-25(2,3)4/h20H,5-19H2,1-4H3,(H2-,23,24,26,27,28)/t20-/m1/s1","BMZYTDRMCBZVNH-HXUWFJFHSA-N",null,160]
["D11235",11512,"7lo4_B",0.3,"Spike protein S1","Dual specificity phosphatase Cdc25B","Mus musculus","BDM50104686","CCCCCCCCCCCCCCNC(=O)c1c(O)oc(CO)c1O","InChI=1S/C20H35NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-19(24)17-18(23)16(15-22)26-20(17)25/h22-23,25H,2-15H2,1H3,(H,21,24)","FQFZUOHPSYRSQJ-UHFFFAOYSA-N",null,7900]
["D11236",11524,"7lo4_B",0.3,"Spike protein S1","Dual specificity phosphatase Cdc25B","Mus musculus","BDM50104698","CCCCCCCCCCCCCCOC(=O)C1=C(OC)[C@@H](CO)OC1=O","InChI=1S/C21H36O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-26-20(23)18-19(25-2)17(16-22)27-21(18)24/h17,22H,3-16H2,1-2H3/t17-/m1/s1","KJXDKQVYJVFPAV-QGZVFWFLSA-N",null,">125000"]
["D11237",11511,"7lo4_B",0.3,"Spike protein S1","Dual specificity phosphatase Cdc25B","Mus musculus","BDM50104699","CCCCCCCCCCCCCCOC(=O)c1c(O)oc(CC(=O)OC)c1O","InChI=1S/C22H36O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-28-21(25)19-20(24)17(29-22(19)26)16-18(23)27-2/h24,26H,3-16H2,1-2H3","IVLLCECWLOHDHK-UHFFFAOYSA-N",null,6200]
["D11238",11514,"7lo4_B",0.3,"Spike protein S1","Dual specificity phosphatase Cdc25B","Mus musculus","BDM50104682","CCCCCCCCCCCCCCOC(=O)c1c(O)oc(CO)c1O","InChI=1S/C20H34O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-25-19(23)17-18(22)16(15-21)26-20(17)24/h21-22,24H,2-15H2,1H3","DDCHUOXPSILGQD-UHFFFAOYSA-N",null,18000]
["D11239",11508,"7lo4_B",0.3,"Spike protein S1","Dual specificity phosphatase Cdc25B","Mus musculus","BDM50104673","CCCCCCCCCCCCCCSC(=O)c1c(O)oc(CO)c1O","InChI=1S/C20H34O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-26-20(24)17-18(22)16(15-21)25-19(17)23/h21-23H,2-15H2,1H3","ODJFNYZJIKKZLJ-UHFFFAOYSA-N",null,3600]
["D11240",11513,"7lo4_B",0.3,"Spike protein S1","Dual specificity phosphatase Cdc25B","Mus musculus","BDM50104675","CCCCCCCCCCCCOC(=O)c1c(O)oc(CO)c1O","InChI=1S/C18H30O6/c1-2-3-4-5-6-7-8-9-10-11-12-23-17(21)15-16(20)14(13-19)24-18(15)22/h19-20,22H,2-13H2,1H3","QMNVHTRIJAUKAI-UHFFFAOYSA-N",null,11500]
["D11241",25942,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Penicillin-binding protein 1B","Acinetobacter baumannii","BDBM50458508","CCCCCCCCCCCCn1cc(CO[C@H](CP(O)(=O)OCCCN(C)Cc2ccc(cc2)-c2ccccc2)C(=O)OCC)nn1","InChI=1S/C37H57N4O6P/c1-4-6-7-8-9-10-11-12-13-17-26-41-29-35(38-39-41)30-46-36(37(42)45-5-2)31-48(43,44)47-27-18-25-40(3)28-32-21-23-34(24-22-32)33-19-15-14-16-20-33/h14-16,19-24,29,36H,4-13,17-18,25-28,30-31H2,1-3H3,(H,43,44)/t36-/m1/s1","CYISLSUSLKXJHQ-PSXMRANNSA-N",null,153000]
["D11242",25941,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Penicillin-binding protein 1B","Acinetobacter baumannii","BDBM50458507","CCCCCCCCCCCCn1cc(CO[C@H](CP(O)(=O)OCCCN(Cc2ccc(cc2)-c2ccccc2)Cc2ccc(cc2)-c2ccccc2)C(=O)OCC)nn1","InChI=1S/C49H65N4O6P/c1-3-5-6-7-8-9-10-11-12-19-34-53-38-47(50-51-53)39-58-48(49(54)57-4-2)40-60(55,56)59-35-20-33-52(36-41-25-29-45(30-26-41)43-21-15-13-16-22-43)37-42-27-31-46(32-28-42)44-23-17-14-18-24-44/h13-18,21-32,38,48H,3-12,19-20,33-37,39-40H2,1-2H3,(H,55,56)/t48-/m1/s1","VWWYZXXLJLSHQI-QSCHNALKSA-N",null,87000]
["D11243",25944,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Penicillin-binding protein 1B","Acinetobacter baumannii","BDBM50458510","CCCCCCCCCCCCn1cc(CO[C@H](CP(O)(=O)OCCCNCc2ccc(cc2)-c2ccccc2)C(=O)OCC)nn1","InChI=1S/C36H55N4O6P/c1-3-5-6-7-8-9-10-11-12-16-25-40-28-34(38-39-40)29-45-35(36(41)44-4-2)30-47(42,43)46-26-17-24-37-27-31-20-22-33(23-21-31)32-18-14-13-15-19-32/h13-15,18-23,28,35,37H,3-12,16-17,24-27,29-30H2,1-2H3,(H,42,43)/t35-/m1/s1","WDBKHAMRENUYTF-PGUFJCEWSA-N",null,232000]
["D11244",25943,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Penicillin-binding protein 1B","Acinetobacter baumannii","BDBM50458509","CCCCCCCCCCCCn1cc(CO[C@H](CP(O)(=O)OCCNCc2ccc(cc2)-c2ccccc2)C(=O)OCC)nn1","InChI=1S/C35H53N4O6P/c1-3-5-6-7-8-9-10-11-12-16-24-39-27-33(37-38-39)28-44-34(35(40)43-4-2)29-46(41,42)45-25-23-36-26-30-19-21-32(22-20-30)31-17-14-13-15-18-31/h13-15,17-22,27,34,36H,3-12,16,23-26,28-29H2,1-2H3,(H,41,42)/t34-/m1/s1","JPLUVZOWIKBTGO-UUWRZZSWSA-N",null,157000]
["D11245",31634,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50185227","CCCCCCCCCCC[C@@H]1C[C@H](O)[C@@H](O)[C@@H](CO)N1","InChI=1S/C17H35NO3/c1-2-3-4-5-6-7-8-9-10-11-14-12-16(20)17(21)15(13-19)18-14/h14-21H,2-13H2,1H3/t14-,15-,16+,17+/m1/s1","CFTMRMOTWVSRCS-NCOADZHNSA-N",58000]
["D11246",11506,"7lo4_B",0.3,"Spike protein S1","Dual specificity phosphatase Cdc25B","Mus musculus","BDM50104692","CCCCCCCCCCOC(=O)c1c(O)oc(CC(=O)OCCCCCCCCC)c1O","InChI=1S/C26H44O7/c1-3-5-7-9-11-13-15-17-19-32-25(29)23-24(28)21(33-26(23)30)20-22(27)31-18-16-14-12-10-8-6-4-2/h28,30H,3-20H2,1-2H3","VVGYIZPRHXWNBI-UHFFFAOYSA-N",null,3000]
["D11247",11518,"7lo4_B",0.3,"Spike protein S1","Dual specificity phosphatase Cdc25B","Mus musculus","BDM50104679","CCCCCCCCCCOC(=O)c1c(O)oc(CO)c1O","InChI=1S/C16H26O6/c1-2-3-4-5-6-7-8-9-10-21-15(19)13-14(18)12(11-17)22-16(13)20/h17-18,20H,2-11H2,1H3","RJGZQAYMLBLYMT-UHFFFAOYSA-N",null,35000]
["D11248",31658,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50156357","CCCCCCCCCN1CC(O)C(O)C(O)C1CO","InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3","FTSCEGKYKXESFF-UHFFFAOYSA-N",null,150000]
["D11249",3591,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50072174","CCCCCCCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O","InChI=1S/C29H37NO5/c1-2-3-4-5-6-7-8-15-21-25(27(31)32)26(21)29(30,28(33)34)18-22-19-13-9-11-16-23(19)35-24-17-12-10-14-20(22)24/h9-14,16-17,21-22,25-26H,2-8,15,18,30H2,1H3,(H,31,32)(H,33,34)/t21-,25+,26+,29?/m1/s1","JHMUTZFKEQDSCJ-FBQMFOLFSA-N",null,7820]
["D11250",25787,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Sarcoplasmic/endoplasmic reticulum calcium ATPase 2","Rattus norvegicus","BDBM50410532","CCCCCCCCCc1ccc(O)cc1","InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3","IGFHQQFPSIBGKE-UHFFFAOYSA-N",null,350]
["D11251",31652,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50156359","CCCCCCCCN1CC(O)C(O)C(O)C1CO","InChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-15-9-12(17)14(19)13(18)11(15)10-16/h11-14,16-19H,2-10H2,1H3","VGSQNAQYXKTCLP-UHFFFAOYSA-N",null,34000]
["D11252",11519,"7lo4_B",0.3,"Spike protein S1","Dual specificity phosphatase Cdc25B","Mus musculus","BDM50104678","CCCCCCCCOC(=O)c1c(O)oc(CO)c1O","InChI=1S/C14H22O6/c1-2-3-4-5-6-7-8-19-13(17)11-12(16)10(9-15)20-14(11)18/h15-16,18H,2-9H2,1H3","DBMZKBMRAWAEAY-UHFFFAOYSA-N",null,100800]
["D11253",32228,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50240376","CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1","InChI=1S/C15H22O5/c1-2-3-4-5-6-7-8-20-15(19)11-9-12(16)14(18)13(17)10-11/h9-10,16-18H,2-8H2,1H3","NRPKURNSADTHLJ-UHFFFAOYSA-N",null,4040]
["D11254",4092,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM50215899","CCCCCCCC\\C=C/CCCCCCCC(=O)NCCc1ccc(O)c(O)c1","InChI=1S/C26H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h9-10,18-19,22,28-29H,2-8,11-17,20-21H2,1H3,(H,27,30)/b10-9-","QQBPLXNESPTPNU-KTKRTIGZSA-N",{"$nulls":3},8057]
["D11255",25445,"7e88_L",0.3,"Spike protein S1","DNA polymerase kappa","Homo sapiens","BDBM50356643","CCCCCCCC\\C=C/CCCCCCCC(=O)Oc1cccc2C(=O)C=CC(=O)c12","InChI=1S/C28H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27(31)32-26-19-17-18-23-24(29)21-22-25(30)28(23)26/h9-10,17-19,21-22H,2-8,11-16,20H2,1H3/b10-9-","TUNHCPZKNYPWTH-KTKRTIGZSA-N",null,8100]
["D11256",4087,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM50150484","CCCCCCCC\\C=C/CCCCCCCC(O)=O","InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-","ZQPPMHVWECSIRJ-KTKRTIGZSA-N",{"$nulls":3},">350000"]
["D11257",11497,"7lo4_B",0.3,"Spike protein S1","Dual specificity phosphatase Cdc25B","Mus musculus","BDM50104693","CCCCCCCC\\C=C\\CCCCCCCC(=O)c1c(O)oc(CO)c1O","InChI=1S/C23H38O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(25)21-22(26)20(18-24)28-23(21)27/h9-10,24,26-27H,2-8,11-18H2,1H3/b10-9+","VHFDXEGBOPQDQG-MDZDMXLPSA-N",null,900]
["D11258",12104,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM80503","CCCCCCCCn1c(C)[n+](-c2ccccc2)c2ccc(NC(C)=O)cc12","InChI=1S/C24H31N3O/c1-4-5-6-7-8-12-17-26-20(3)27(22-13-10-9-11-14-22)23-16-15-21(18-24(23)26)25-19(2)28/h9-11,13-16,18H,4-8,12,17H2,1-3H3/p+1","OIPAZXPEORXZGH-UHFFFAOYSA-O",null,4358]
["D11259",31635,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50185229","CCCCCCC[C@@H]1C[C@@H](O)[C@@H](O)[C@@H](CO)N1","InChI=1S/C13H27NO3/c1-2-3-4-5-6-7-10-8-12(16)13(17)11(9-15)14-10/h10-17H,2-9H2,1H3/t10-,11-,12-,13+/m1/s1","DECJCNQQBJULTO-LPWJVIDDSA-N",61000]
["D11260",32119,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46410","CCCCCCCc1ccc(nc1)-c1ccc(O)cc1","InChI=1S/C18H23NO/c1-2-3-4-5-6-7-15-8-13-18(19-14-15)16-9-11-17(20)12-10-16/h8-14,20H,2-7H2,1H3","JZFVMTKUEHVOSZ-UHFFFAOYSA-N",null,">55700"]
["D11261",18536,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50225467","CCCCCCCc1nccn1C(=O)NCCCC","InChI=1S/C15H27N3O/c1-3-5-7-8-9-10-14-16-12-13-18(14)15(19)17-11-6-4-2/h12-13H,3-11H2,1-2H3,(H,17,19)","ALWGSKWCMLXISF-UHFFFAOYSA-N",2410000]
["D11262",12371,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42901","CCCCCCN1C(=O)NC(=O)C(=CNc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O","InChI=1S/C22H27N5O4/c1-4-5-6-10-13-26-20(29)17(19(28)24-22(26)31)14-23-18-15(2)25(3)27(21(18)30)16-11-8-7-9-12-16/h7-9,11-12,14,23H,4-6,10,13H2,1-3H3,(H,24,28,31)","HICDEVOITSXOSY-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11263",31661,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50156354","CCCCCCN1CC(O)C(O)C(O)C1CO","InChI=1S/C12H25NO4/c1-2-3-4-5-6-13-7-10(15)12(17)11(16)9(13)8-14/h9-12,14-17H,2-8H2,1H3","KRNOSIJCJVCXKU-UHFFFAOYSA-N",null,350000]
["D11264",32139,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta/3","Homo sapiens","BDBM20282","CCCCCCNC(=O)c1nc(oc1Cc1ccc(OP(O)(O)=O)cc1)-c1cccc2ccccc12","InChI=1S/C27H29N2O6P/c1-2-3-4-7-17-28-26(30)25-24(18-19-13-15-21(16-14-19)35-36(31,32)33)34-27(29-25)23-12-8-10-20-9-5-6-11-22(20)23/h5-6,8-16H,2-4,7,17-18H2,1H3,(H,28,30)(H2,31,32,33)","NUEVMWXZKGBDPT-UHFFFAOYSA-N",null,92000,{"$nulls":4},7.8,"22.00 C"]
["D11265",34,"7dx1_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403032","CCCCCCOc1cccc(OCCCCNC(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C)c1","InChI=1S/C24H41N3O5/c1-5-6-7-9-15-31-21-12-11-13-22(18-21)32-16-10-8-14-25-24(30)26-20(17-23(28)29)19-27(2,3)4/h11-13,18,20H,5-10,14-17,19H2,1-4H3,(H2-,25,26,28,29,30)/t20-/m1/s1","PIIALPQJIBSJRM-HXUWFJFHSA-N",null,5400]
["D11266",3589,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50072173","CCCCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O","InChI=1S/C26H31NO5/c1-2-3-4-5-12-18-22(24(28)29)23(18)26(27,25(30)31)15-19-16-10-6-8-13-20(16)32-21-14-9-7-11-17(19)21/h6-11,13-14,18-19,22-23H,2-5,12,15,27H2,1H3,(H,28,29)(H,30,31)/t18-,22+,23+,26?/m1/s1","HOARSDISRSQYDP-LLQWRFHZSA-N",null,6250]
["D11267",29594,"7lx5_A",0.3,"Spike glycoprotein","Putative farnesyl pyrophosphate synthase","Cryptosporidium parvum","BDBM81349","CCCCCN(C)CCCC(O)(P(O)(O)=O)P(O)(O)=O","InChI=1S/C10H25NO7P2/c1-3-4-5-8-11(2)9-6-7-10(12,19(13,14)15)20(16,17)18/h12H,3-9H2,1-2H3,(H2,13,14,15)(H2,16,17,18)","ZLSSXLNNHMPGJW-UHFFFAOYSA-N"," 1.60"," 52.7",{"$nulls":4},7.7,"37.00 C"]
["D11268",3590,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50072169","CCCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O","InChI=1S/C25H29NO5/c1-2-3-4-11-17-21(23(27)28)22(17)25(26,24(29)30)14-18-15-9-5-7-12-19(15)31-20-13-8-6-10-16(18)20/h5-10,12-13,17-18,21-22H,2-4,11,14,26H2,1H3,(H,27,28)(H,29,30)/t17-,21+,22+,25?/m1/s1","RVDRTVSKBHTUTQ-POHHUGBHSA-N",null,7610]
["D11269",11502,"7lo4_B",0.3,"Spike protein S1","Dual specificity phosphatase Cdc25B","Mus musculus","BDM50104688","CCCCC\\C=C\\C\\C=C\\CCCCCCCCOC(=O)c1c(O)oc(CO)c1O","InChI=1S/C24H38O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-23(27)21-22(26)20(19-25)30-24(21)28/h6-7,9-10,25-26,28H,2-5,8,11-19H2,1H3/b7-6+,10-9+","GLEOGGPNGFKUEF-AVQMFFATSA-N",null,2000]
["D11270",11501,"7lo4_B",0.3,"Spike protein S1","Dual specificity phosphatase Cdc25B","Mus musculus","BDM50104696","CCCCC\\C=C\\C\\C=C\\C\\C=C\\CCCCCOC(=O)c1c(O)oc(CO)c1O","InChI=1S/C24H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-23(27)21-22(26)20(19-25)30-24(21)28/h6-7,9-10,12-13,25-26,28H,2-5,8,11,14-19H2,1H3/b7-6+,10-9+,13-12+","XUBOZZCSETXRNM-YHTMAJSVSA-N",null,1600]
["D11271",343,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226602","CCCCCn1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C13H24N4O2/c1-2-3-4-7-17-9-11(16-10-17)8-12(13(18)19)15-6-5-14/h9-10,12,15H,2-8,14H2,1H3,(H,18,19)/t12-/m0/s1","IIHFQOHRJWWSRA-LBPRGKRZSA-N",160]
["D11272",13549,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19243764","CCCCCn1cnc(C[C@H](NCCN)C(O)=O)c2","InChI=1S/C13H24N4O2/c1-2-3-4-7-17-9-11(16-10-17)8-12(13(18)19)15-6-5-14/h9-10,12,15H,2-8,14H2,1H3,(H,18,19)/t12-/m0/s2","IIHFQOHRJWWSRA-LBPRGKRZSA-N",-15336.9357928281,-110789.905716107,33574.1106180855,{"$nulls":3},6.73723960252671]
["D11273",11793,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM6130","CCCCN(CCCC)c1ncnc2nc[nH]c12","InChI=1S/C13H21N5/c1-3-5-7-18(8-6-4-2)13-11-12(15-9-14-11)16-10-17-13/h9-10H,3-8H2,1-2H3,(H,14,15,16,17)","LZSBOVSYRLCELU-UHFFFAOYSA-N",null,2136]
["D11274",4242,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM62063","CCCCN1C(=O)C(NC(C)=O)c2cc(Br)ccc12","InChI=1S/C14H17BrN2O2/c1-3-4-7-17-12-6-5-10(15)8-11(12)13(14(17)19)16-9(2)18/h5-6,8,13H,3-4,7H2,1-2H3,(H,16,18)","CXCGQPLUFMSASL-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11275",4616,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM52648","CCCCN1C(S\\C(C1=O)=C1/Sc2ccccc2N1C)=Nc1nnc[nH]1","InChI=1S/C17H18N6OS2/c1-3-4-9-23-14(24)13(26-17(23)20-16-18-10-19-21-16)15-22(2)11-7-5-6-8-12(11)25-15/h5-8,10H,3-4,9H2,1-2H3,(H,18,19,21)/b15-13-,20-17?","IZAQTMXLLUZPLS-OFJKXKPBSA-N",{"$nulls":3},68090]
["D11276",12108,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM63551","CCCCN1C=CC(C=C1)=C1C(=O)c2ccccc2C1=O","InChI=1S/C18H17NO2/c1-2-3-10-19-11-8-13(9-12-19)16-17(20)14-6-4-5-7-15(14)18(16)21/h4-9,11-12H,2-3,10H2,1H3","NHMMAEHDXJGRMT-UHFFFAOYSA-N",null,4469]
["D11277",11853,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43005","CCCCNC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc2OCOc2c1","InChI=1S/C22H23N3O4S/c1-2-3-10-23-20(26)13-30-22-24-17-7-5-4-6-16(17)21(27)25(22)12-15-8-9-18-19(11-15)29-14-28-18/h4-9,11H,2-3,10,12-14H2,1H3,(H,23,26)","UGNNFXIGXHVRJA-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11278",4322,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM63166","CCCCNC(=O)c1ccc(Cn2c(=S)[nH]c3c4cc(OC)ccc4[nH]c3c2=O)cc1","InChI=1S/C23H22N4O3S/c1-3-4-11-24-21(28)15-7-5-14(6-8-15)13-27-22(29)20-19(26-23(27)31)17-12-16(30-2)9-10-18(17)25-20/h5-10,12H,3-4,11,13H2,1-2H3,(H,24,28)","AFNLCIYQHOAMKF-UHFFFAOYSA-N",{"$nulls":3},5243]
["D11279",4369,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM32272","CCCCNC(=O)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1","InChI=1S/C21H19N3O3/c1-2-3-10-22-21(25)14-8-9-15-16(13-14)24-20(18-7-5-12-27-18)19(23-15)17-6-4-11-26-17/h4-9,11-13H,2-3,10H2,1H3,(H,22,25)","GDCWSBKEJDSGAK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11280",18533,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50225472","CCCCNC(=O)n1ccnc1","InChI=1S/C8H13N3O/c1-2-3-4-10-8(12)11-6-5-9-7-11/h5-7H,2-4H2,1H3,(H,10,12)","OVVHGEJWGKGBLV-UHFFFAOYSA-N",1400000]
["D11281",18535,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50225470","CCCCNC(=O)n1ccnc1C","InChI=1S/C9H15N3O/c1-3-4-5-11-9(13)12-7-6-10-8(12)2/h6-7H,3-5H2,1-2H3,(H,11,13)","QXQPGNWYQKODFX-UHFFFAOYSA-N",2410000]
["D11282",18528,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50225469","CCCCNC(=O)n1ccnc1CC","InChI=1S/C10H17N3O/c1-3-5-6-12-10(14)13-8-7-11-9(13)4-2/h7-8H,3-6H2,1-2H3,(H,12,14)","LASIDMOHQTUUCO-UHFFFAOYSA-N",470000]
["D11283",18538,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50225468","CCCCNC(=O)n1cnc(C)c1","InChI=1S/C9H15N3O/c1-3-4-5-10-9(13)12-6-8(2)11-7-12/h6-7H,3-5H2,1-2H3,(H,10,13)","KQIZWCYNVSYGKS-UHFFFAOYSA-N",7230000]
["D11284",4489,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66458","CCCCNC(=S)NN=Cc1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)c(OC)c1","InChI=1S/C24H32N4O3S/c1-6-7-10-25-24(32)28-26-14-19-8-9-20(21(13-19)30-5)31-15-22(29)27-23-17(3)11-16(2)12-18(23)4/h8-9,11-14H,6-7,10,15H2,1-5H3,(H,27,29)(H2,25,28,32)","WTXIOUFQKMHTAM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11285",12372,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM40305","CCCCOC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OCC)cc2)c1C#N","InChI=1S/C21H22N4O3S/c1-3-5-10-28-18(26)13-29-21-17(12-23)19(16(11-22)20(24)25-21)14-6-8-15(9-7-14)27-4-2/h6-9H,3-5,10,13H2,1-2H3,(H2,24,25)","LACSRWAGKGRVDZ-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11286",4318,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66416","CCCCOC(=O)c1ccc(o1)S(N)(=O)=O","InChI=1S/C9H13NO5S/c1-2-3-6-14-9(11)7-4-5-8(15-7)16(10,12)13/h4-5H,2-3,6H2,1H3,(H2,10,12,13)","SJGVTEINXDLOPI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11287",12434,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42950","CCCCOc1ccc(NC2=NC3(CCCC3)N=C(N)N2)cc1","InChI=1S/C17H25N5O/c1-2-3-12-23-14-8-6-13(7-9-14)19-16-20-15(18)21-17(22-16)10-4-5-11-17/h6-9H,2-5,10-12H2,1H3,(H4,18,19,20,21,22)","MCYRPUWJNNPZAT-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11288",12011,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43142","CCCCOc1ccc(cc1)C(=O)N\\C(=C\\C=C\\c1ccccc1)C(O)=O","InChI=1S/C22H23NO4/c1-2-3-16-27-19-14-12-18(13-15-19)21(24)23-20(22(25)26)11-7-10-17-8-5-4-6-9-17/h4-15H,2-3,16H2,1H3,(H,23,24)(H,25,26)/b10-7+,20-11+","LTWRZOGKHUBBHG-OZNFINNBSA-N",{"$nulls":3},">79370"]
["D11289",32058,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46349","CCCCOc1ccc(cc1)C(=O)Nc1ccncc1","InChI=1S/C16H18N2O2/c1-2-3-12-20-15-6-4-13(5-7-15)16(19)18-14-8-10-17-11-9-14/h4-11H,2-3,12H2,1H3,(H,17,18,19)","YZZMLZCSPXWQRI-UHFFFAOYSA-N",null,">55700"]
["D11290",4794,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Histone-lysine N-methyltransferase MLL2","Homo sapiens","BDBM50508569","CCCCOc1ccc(cc1C)S(=O)(=O)Nc1ccc(cc1)C(O)=O","InChI=1S/C18H21NO5S/c1-3-4-11-24-17-10-9-16(12-13(17)2)25(22,23)19-15-7-5-14(6-8-15)18(20)21/h5-10,12,19H,3-4,11H2,1-2H3,(H,20,21)","PYEVWZHTBYTQQI-UHFFFAOYSA-N",null,">100000"]
["D11291",12378,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42905","CCCCSc1nnc(o1)[C@H](C)NC(=O)OC(C)(C)C","InChI=1S/C13H23N3O3S/c1-6-7-8-20-12-16-15-10(18-12)9(2)14-11(17)19-13(3,4)5/h9H,6-8H2,1-5H3,(H,14,17)/t9-/m0/s1","PCDQYGJYOSFXDE-VIFPVBQESA-N",{"$nulls":3},">79370"]
["D11292",25454,"7e88_L",0.3,"Spike protein S1","DNA polymerase kappa","Homo sapiens","BDBM50448689","CCCC[C@@H](O)\\C=C(/C)\\C=C\\C=C/C(=O)N1CCCC1=O","InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6-,14-13+/t15-/m1/s1","ZYPGADGCNXOUJP-FMHFZIMOSA-N",null,">200000"]
["D11293",25457,"7e88_L",0.3,"Spike protein S1","DNA polymerase kappa","Homo sapiens","BDBM50448688","CCCC[C@@H](O)\\C=C(/C)\\C=C\\C=C\\C(=O)N1CCCC1=O","InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6+,14-13+/t15-/m1/s1","ZYPGADGCNXOUJP-CXVPHVKISA-N",null,">200000"]
["D11294",3592,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50072177","CCCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O","InChI=1S/C24H27NO5/c1-2-3-8-16-20(22(26)27)21(16)24(25,23(28)29)13-17-14-9-4-6-11-18(14)30-19-12-7-5-10-15(17)19/h4-7,9-12,16-17,20-21H,2-3,8,13,25H2,1H3,(H,26,27)(H,28,29)/t16-,20+,21+,24?/m1/s1","SNDLXDNVZFYFQU-CHYAVIAWSA-N",null,9420]
["D11295",3882,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66804","CCCCc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2Cl)cc1","InChI=1S/C21H26ClN3O2/c1-3-4-7-16-10-12-17(13-11-16)23-20(26)14-25(2)15-21(27)24-19-9-6-5-8-18(19)22/h5-6,8-13H,3-4,7,14-15H2,1-2H3,(H,23,26)(H,24,27)","LQZQXFCYWQVZJG-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11296",4305,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66404","CCCCc1ccc(cc1)-c1csc(n1)C(=C/c1ccc(C)o1)\\C#N","InChI=1S/C21H20N2OS/c1-3-4-5-16-7-9-17(10-8-16)20-14-25-21(23-20)18(13-22)12-19-11-6-15(2)24-19/h6-12,14H,3-5H2,1-2H3/b18-12-","NWVQDLPVWVSDPK-PDGQHHTCSA-N",{"$nulls":3},">350000"]
["D11297",4745,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66669","CCCCc1ccc(cc1)S(=O)(=O)NC1CCS(=O)(=O)C1","InChI=1S/C14H21NO4S2/c1-2-3-4-12-5-7-14(8-6-12)21(18,19)15-13-9-10-20(16,17)11-13/h5-8,13,15H,2-4,9-11H2,1H3","GWRITICBUBBOBK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11298",37,"7dx1_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM18957","CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1","InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3","IYIKLHRQXLHMJQ-UHFFFAOYSA-N",null,">100000"]
["D11299",3809,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66740","CCCCn1c(nc2n(C)c(=O)[nH]c(=O)c12)N1CCCC1","InChI=1S/C14H21N5O2/c1-3-4-9-19-10-11(17(2)14(21)16-12(10)20)15-13(19)18-7-5-6-8-18/h3-9H2,1-2H3,(H,16,20,21)","DBYDJUFTTGSMLL-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11300",18557,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50284206","CCCCn1c2ccc(OC(C)=O)cc2c2c(O)oc(=O)nc12","InChI=1S/C16H16N2O5/c1-3-4-7-18-12-6-5-10(22-9(2)19)8-11(12)13-14(18)17-16(21)23-15(13)20/h5-6,8,20H,3-4,7H2,1-2H3","ZOXCEVBPJSXLSY-UHFFFAOYSA-N",null,">1000000"]
["D11301",3871,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM61577","CCCCn1c2nc(Cn3ncc(Cl)c(Cl)c3=O)n(CCC)c2c(=O)[nH]c1=O","InChI=1S/C17H20Cl2N6O3/c1-3-5-7-24-14-13(15(26)22-17(24)28)23(6-4-2)11(21-14)9-25-16(27)12(19)10(18)8-20-25/h8H,3-7,9H2,1-2H3,(H,22,26,28)","UOCKBSLTEWMSDN-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11302",18581,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Oryctolagus cuniculus","BDM50016405","CCCCn1cccc1C(=O)O[C@@H]1[C@](O)(C(C)C)[C@]2(C)[C@]3(O)C[C@@]4(C)[C@@]5(O)CC[C@H](C)[C@@H](O)[C@]5(O3)[C@]2(O)[C@@]14O","InChI=1S/C29H43NO9/c1-7-8-13-30-14-9-10-18(30)20(32)38-21-26(35,16(2)3)23(6)25(34)15-22(5)24(33)12-11-17(4)19(31)28(24,39-25)29(23,37)27(21,22)36/h9-10,14,16-17,19,21,31,33-37H,7-8,11-13,15H2,1-6H3/t17-,19+,21+,22-,23+,24-,25-,26+,27+,28+,29+/m0/s1","PHNJCRODANVSRH-CJEVHBMOSA-N",null,860]
["D11303",331,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305349","CCCCn1cnc(CC(OCCN)C(O)=O)c1","InChI=1S/C12H21N3O3/c1-2-3-5-15-8-10(14-9-15)7-11(12(16)17)18-6-4-13/h8-9,11H,2-7,13H2,1H3,(H,16,17)","OKKIGEKMWNYVMZ-UHFFFAOYSA-N",15]
["D11304",13537,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19241424","CCCCn1cnc(CC(OCCN)C(O)=O)c2","InChI=1S/C12H21N3O3/c1-2-3-5-15-8-10(14-9-15)7-11(12(16)17)18-6-4-13/h8-9,11H,2-7,13H2,1H3,(H,16,17)","OKKIGEKMWNYVMZ-UHFFFAOYSA-N",-12137.1208497107,-83891.3423572639,33566.4967477397,{"$nulls":3},6.7372343060646]
["D11305",335,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226598","CCCCn1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C12H22N4O2/c1-2-3-6-16-8-10(15-9-16)7-11(12(17)18)14-5-4-13/h8-9,11,14H,2-7,13H2,1H3,(H,17,18)/t11-/m0/s1","LLJMTPSWZYCMHR-NSHDSACASA-N",70]
["D11306",13541,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19242204","CCCCn1cnc(C[C@H](NCCN)C(O)=O)c2","InChI=1S/C12H22N4O2/c1-2-3-6-16-8-10(15-9-16)7-11(12(17)18)14-5-4-13/h8-9,11,14H,2-7,13H2,1H3,(H,17,18)/t11-/m0/s2","LLJMTPSWZYCMHR-NSHDSACASA-N",-13203.7258307498,-92857.5301435449,33569.0347045216,{"$nulls":3},6.73723607155197]
["D11307",405,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135936","CCCCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O","InChI=1S/C15H20N4O2/c1-2-3-6-19-9-13(18-10-19)12(15(20)21)7-11-4-5-14(16)17-8-11/h4-5,8-10,12H,2-3,6-7H2,1H3,(H2,16,17)(H,20,21)","RCFXGCBFYOZPJW-UHFFFAOYSA-N",null,6]
["D11308",4661,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66601","CCCCn1nc(C)c(C(O)=O)c1Cl","InChI=1S/C9H13ClN2O2/c1-3-4-5-12-8(10)7(9(13)14)6(2)11-12/h3-5H2,1-2H3,(H,13,14)","VTLWIDDZVIOQSV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11309",32175,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43614","CCCN(CCC)C(=O)Cn1c2ccccc2c2nc(=O)cc(C)n12","InChI=1S/C19H24N4O2/c1-4-10-21(11-5-2)18(25)13-22-16-9-7-6-8-15(16)19-20-17(24)12-14(3)23(19)22/h6-9,12H,4-5,10-11,13H2,1-3H3","OISRYUZWHSXJLE-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D11310",4486,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM45172","CCCN1C(=O)C(=NOCC(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc12","InChI=1S/C23H29N3O3/c1-2-7-26-19-6-4-3-5-18(19)21(22(26)28)25-29-14-20(27)24-23-11-15-8-16(12-23)10-17(9-15)13-23/h3-6,15-17H,2,7-14H2,1H3,(H,24,27)","SBWQYLUZBQMATM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11311",4172,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67055","CCCN1C(=O)C(=O)c2cc(C)ccc12","InChI=1S/C12H13NO2/c1-3-6-13-10-5-4-8(2)7-9(10)11(14)12(13)15/h4-5,7H,3,6H2,1-2H3","VFFQBMUPSVPUOR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11312",31670,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50156361","CCCN1CC(O)C(O)C(O)C1CO","InChI=1S/C9H19NO4/c1-2-3-10-4-7(12)9(14)8(13)6(10)5-11/h6-9,11-14H,2-5H2,1H3","DUKKBXHYYSHSAI-UHFFFAOYSA-N",null,900000]
["D11313",3985,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66891","CCCN1CCN(CCCNC(=O)CCCn2nc(C)c3sc4ccccc4c3c2=O)CC1","InChI=1S/C25H35N5O2S/c1-3-12-28-15-17-29(18-16-28)13-7-11-26-22(31)10-6-14-30-25(32)23-20-8-4-5-9-21(20)33-24(23)19(2)27-30/h4-5,8-9H,3,6-7,10-18H2,1-2H3,(H,26,31)","QJRFZGJEBBVMQS-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11314",17023,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50520170","CCCN1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3nc(C)no3)c2)CC1","InChI=1S/C23H28N8O/c1-3-8-30-9-11-31(12-10-30)15-17-6-7-24-21(13-17)28-23-26-19-5-4-18(14-20(19)27-23)22-25-16(2)29-32-22/h4-7,13-14H,3,8-12,15H2,1-2H3,(H2,24,26,27,28)","BWYVUFVBJMUEOM-UHFFFAOYSA-N",null,1440]
["D11315",12419,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42939","CCCNC(=O)C(CC)NS(=O)(=O)c1ccc(OC)cc1","InChI=1S/C14H22N2O4S/c1-4-10-15-14(17)13(5-2)16-21(18,19)12-8-6-11(20-3)7-9-12/h6-9,13,16H,4-5,10H2,1-3H3,(H,15,17)","PZXRKPKBCXRIPT-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11316",4149,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67035","CCCNC(=O)C(Cc1ccccc1)NC(=O)Cc1ccccc1","InChI=1S/C20H24N2O2/c1-2-13-21-20(24)18(14-16-9-5-3-6-10-16)22-19(23)15-17-11-7-4-8-12-17/h3-12,18H,2,13-15H2,1H3,(H,21,24)(H,22,23)","CCLFKESIHCRQOU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11317",4150,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67036","CCCNC(=O)C(Cc1ccccc1F)NC(=O)c1ccccn1","InChI=1S/C18H20FN3O2/c1-2-10-21-17(23)16(12-13-7-3-4-8-14(13)19)22-18(24)15-9-5-6-11-20-15/h3-9,11,16H,2,10,12H2,1H3,(H,21,23)(H,22,24)","UFZWBWHQNILYST-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11318",32176,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43615","CCCNC(=O)Cn1c2ccccc2c2nc(=O)cc(C)n12","InChI=1S/C16H18N4O2/c1-3-8-17-15(22)10-19-13-7-5-4-6-12(13)16-18-14(21)9-11(2)20(16)19/h4-7,9H,3,8,10H2,1-2H3,(H,17,22)","XNDUYDDVISQTTM-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D11319",4131,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67017","CCCNC(=O)N1[C@H]2CC[C@@H]1C(C(=O)OC)=C(C2)c1c(C)noc1C","InChI=1S/C18H25N3O4/c1-5-8-19-18(23)21-12-6-7-14(21)16(17(22)24-4)13(9-12)15-10(2)20-25-11(15)3/h12,14H,5-9H2,1-4H3,(H,19,23)/t12-,14+/m0/s1","PCBUMZDUPAFFIT-GXTWGEPZSA-N",{"$nulls":3},">350000"]
["D11320",4792,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66711","CCCNC(=O)c1ccc(COc2ccc(Cl)cc2)o1","InChI=1S/C15H16ClNO3/c1-2-9-17-15(18)14-8-7-13(20-14)10-19-12-5-3-11(16)4-6-12/h3-8H,2,9-10H2,1H3,(H,17,18)","UGJWWFAKNFFIMP-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11321",16971,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50235830","CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1","InChI=1S/C18H19F3N6O/c1-2-8-23-16(28)11-3-5-12(6-4-11)25-17-26-14-13(7-9-22-14)15(27-17)24-10-18(19,20)21/h3-7,9H,2,8,10H2,1H3,(H,23,28)(H3,22,24,25,26,27)","UJBJWYNPUOLFIZ-UHFFFAOYSA-N",null,1070]
["D11322",31821,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM40249","CCCNC(=O)c1ccc(s1)-c1nc2ccccc2s1","InChI=1S/C15H14N2OS2/c1-2-9-16-14(18)12-7-8-13(19-12)15-17-10-5-3-4-6-11(10)20-15/h3-8H,2,9H2,1H3,(H,16,18)","NLBAIDWNPBICRH-UHFFFAOYSA-N",null,16120]
["D11323",4724,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66649","CCCNC(=O)c1ccc2c(O)c(O)c(nc2c1)-c1ccsc1","InChI=1S/C17H16N2O3S/c1-2-6-18-17(22)10-3-4-12-13(8-10)19-14(16(21)15(12)20)11-5-7-23-9-11/h3-5,7-9,21H,2,6H2,1H3,(H,18,22)(H,19,20)","XZIIJLBABZCNKL-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11324",12191,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM68129","CCCNC(=O)c1nnsc1S(=O)(=O)c1ccc(Cl)cc1","InChI=1S/C12H12ClN3O3S2/c1-2-7-14-11(17)10-12(20-16-15-10)21(18,19)9-5-3-8(13)4-6-9/h3-6H,2,7H2,1H3,(H,14,17)","HJUOHTKLPWULTF-UHFFFAOYSA-N",null,8041]
["D11325",4698,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66627","CCCOC(=O)Nc1ccc(cc1NC(=O)OCCC)[As](O)(O)=O","InChI=1S/C14H21AsN2O7/c1-3-7-23-13(18)16-11-6-5-10(15(20,21)22)9-12(11)17-14(19)24-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,18)(H,17,19)(H2,20,21,22)","PTLYOYRKXWOKHT-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11326",4431,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66345","CCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1cccs1","InChI=1S/C17H19NO3S/c1-3-6-21-17(20)16-10(2)15-12(18-16)8-11(9-13(15)19)14-5-4-7-22-14/h4-5,7,11,18H,3,6,8-9H2,1-2H3","PCMCKCSSYOAPJI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11327",11915,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43061","CCCOc1cc(ccc1C=C(C#N)c1nc2ccc(C)cc2[nH]1)N(CC)CC","InChI=1S/C24H28N4O/c1-5-12-29-23-15-20(28(6-2)7-3)10-9-18(23)14-19(16-25)24-26-21-11-8-17(4)13-22(21)27-24/h8-11,13-15H,5-7,12H2,1-4H3,(H,26,27)","JUMIAJFEKXTUFO-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11328",32108,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46401","CCCOc1cc[c-](C=[NH+]NC(=S)Nc2ccccc2[N+]([O-])=O)c(=O)c1","InChI=1S/C17H17N4O4S/c1-2-9-25-13-8-7-12(16(22)10-13)11-18-20-17(26)19-14-5-3-4-6-15(14)21(23)24/h3-8,10-11H,2,9H2,1H3,(H2,19,20,26)/q-1/p+1","VKZQLCDUHSNDRE-UHFFFAOYSA-O",null,">55700"]
["D11329",32102,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46392","CCCOc1ccc(CSc2nc3ccccc3[nH]2)cc1","InChI=1S/C17H18N2OS/c1-2-11-20-14-9-7-13(8-10-14)12-21-17-18-15-5-3-4-6-16(15)19-17/h3-10H,2,11-12H2,1H3,(H,18,19)","NLKCZKNZIAJHCS-UHFFFAOYSA-N",null,">55700"]
["D11330",3729,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66354","CCCOc1ccc(cc1)-n1c(O)c2ON(C(CCC)c2c1O)c1ccccc1","InChI=1S/C23H26N2O4/c1-3-8-19-20-21(29-25(19)17-9-6-5-7-10-17)23(27)24(22(20)26)16-11-13-18(14-12-16)28-15-4-2/h5-7,9-14,19,26-27H,3-4,8,15H2,1-2H3","PCPHNHPOPPRGRE-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11331",4841,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50280373","CCCOc1ccc(cc1OC)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1","InChI=1S/C20H19F3N4O4/c1-3-8-30-17-7-4-13(9-18(17)29-2)19(28)26-15-10-14(31-20(21,22)23)5-6-16(15)27-12-24-11-25-27/h4-7,9-12H,3,8H2,1-2H3,(H,26,28)","BPQAFMPCMVIARX-UHFFFAOYSA-N",null,776]
["D11332",4725,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66650","CCCS(=O)(=O)CC(=N)NOC(=O)c1ccc(Cl)cc1","InChI=1S/C12H15ClN2O4S/c1-2-7-20(17,18)8-11(14)15-19-12(16)9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3,(H2,14,15)","KXVFFSYVLWWYDL-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11333",17401,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50418165","CCCS(=O)(=O)N1CCC(CC1)c1c[nH]c2c(cc(cc12)-c1ccccc1)C(N)=O","InChI=1S/C23H27N3O3S/c1-2-12-30(28,29)26-10-8-17(9-11-26)21-15-25-22-19(21)13-18(14-20(22)23(24)27)16-6-4-3-5-7-16/h3-7,13-15,17,25H,2,8-12H2,1H3,(H2,24,27)","ZJPQAWUONSYBKW-UHFFFAOYSA-N",null,">3162.28"]
["D11334",25908,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM25617","CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F","InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)","YZDJQTHVDDOVHR-UHFFFAOYSA-N",null,null,">10000"]
["D11335",12223,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM6774","CCCS(=O)(=O)c1c(C(=O)N\\N=C\\c2cc(O)cc(O)c2)n2cccc(C)c2c1S(=O)(=O)CCC","InChI=1S/C23H27N3O7S2/c1-4-9-34(30,31)21-19-15(3)7-6-8-26(19)20(22(21)35(32,33)10-5-2)23(29)25-24-14-16-11-17(27)13-18(28)12-16/h6-8,11-14,27-28H,4-5,9-10H2,1-3H3,(H,25,29)/b24-14+","ZUKFYYGDSLMVIU-ZVHZXABRSA-N",null,10239]
["D11336",31759,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43562","CCCSc1nnc(Sc2nnnn2-c2ccccc2)s1","InChI=1S/C12H12N6S3/c1-2-8-19-11-14-15-12(21-11)20-10-13-16-17-18(10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3","WHUUOISPINJTGK-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D11337",557,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326402","CCC[C@@H](CN)C[C@@H]1C[C@@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C18H24N4O2/c1-2-5-13(10-19)8-14-9-18(14,17(23)24)15-11-22(12-21-15)16-6-3-4-7-20-16/h3-4,6-7,11-14H,2,5,8-10,19H2,1H3,(H,23,24)/t13-,14-,18+/m1/s1","VWJRFIBJYVHSGS-LBTNJELSSA-N",null,">100.0"]
["D11338",13763,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19285502","CCC[C@@H](CN)C[C@@H]1C[C@@]1(C(O)=O)c1cn(cn1)-c1ccccn2","InChI=1S/C18H24N4O2/c1-2-5-13(10-19)8-14-9-18(14,17(23)24)15-11-22(12-21-15)16-6-3-4-7-20-16/h3-4,6-7,11-14H,2,5,8-10,19H2,1H3,(H,23,24)/t13-,14-,18+/m1/s2","VWJRFIBJYVHSGS-LBTNJELSSA-N",-22067.0847910133,">100.0",33709.8913059195,{"$nulls":3},6.73733405610099]
["D11339",517,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326401","CCC[C@@H](CN)C[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C18H24N4O2/c1-2-5-13(10-19)8-14-9-18(14,17(23)24)15-11-22(12-21-15)16-6-3-4-7-20-16/h3-4,6-7,11-14H,2,5,8-10,19H2,1H3,(H,23,24)/t13-,14+,18-/m1/s1","VWJRFIBJYVHSGS-QWQRMKEZSA-N",null,41]
["D11340",13723,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19277700","CCC[C@@H](CN)C[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccn2","InChI=1S/C18H24N4O2/c1-2-5-13(10-19)8-14-9-18(14,17(23)24)15-11-22(12-21-15)16-6-3-4-7-20-16/h3-4,6-7,11-14H,2,5,8-10,19H2,1H3,(H,23,24)/t13-,14+,18-/m1/s2","VWJRFIBJYVHSGS-QWQRMKEZSA-N",-17980.6694458552,71.2193645852408,33684.5117381001,{"$nulls":3},6.73731640122729]
["D11341",457,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089748","CCC[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC1CC2(C)CCC1C2(C)C","InChI=1S/C22H40N4O4/c1-5-8-15(25-20(30)26-16(19(28)29)9-6-7-12-23)18(27)24-17-13-22(4)11-10-14(17)21(22,2)3/h14-17H,5-13,23H2,1-4H3,(H,24,27)(H,28,29)(H2,25,26,30)/t14?,15-,16+,17?,22?/m1/s1","DXLYYZBSYPQQBL-VFNIDKIXSA-N",null,15]
["D11342",18552,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50071967","CCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)C(=O)NCc1ccccc1","InChI=1S/C38H57N7O11/c1-7-13-25(33(51)39-20-24-14-10-9-11-15-24)41-36(54)28-16-12-17-45(28)38(56)31(21(3)4)43-37(55)32(22(5)8-2)44-35(53)27(19-30(49)50)42-34(52)26(18-29(47)48)40-23(6)46/h9-11,14-15,21-22,25-28,31-32H,7-8,12-13,16-20H2,1-6H3,(H,39,51)(H,40,46)(H,41,54)(H,42,52)(H,43,55)(H,44,53)(H,47,48)(H,49,50)/t22-,25+,26-,27+,28-,31-,32-/m0/s1","SDJZZUWGQQRKKX-VOFONVMCSA-N",null,206000]
["D11343",18554,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50071970","CCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)C(=O)OCc1ccccc1","InChI=1S/C38H56N6O12/c1-7-13-25(38(55)56-20-24-14-10-9-11-15-24)40-35(52)28-16-12-17-44(28)37(54)31(21(3)4)42-36(53)32(22(5)8-2)43-34(51)27(19-30(48)49)41-33(50)26(18-29(46)47)39-23(6)45/h9-11,14-15,21-22,25-28,31-32H,7-8,12-13,16-20H2,1-6H3,(H,39,45)(H,40,52)(H,41,50)(H,42,53)(H,43,51)(H,46,47)(H,48,49)/t22-,25+,26-,27+,28-,31-,32-/m0/s1","GXKAALHUNRRFHX-VOFONVMCSA-N",null,">1000000"]
["D11344",3629,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50072168","CCC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O","InChI=1S/C23H25NO5/c1-2-7-15-19(21(25)26)20(15)23(24,22(27)28)12-16-13-8-3-5-10-17(13)29-18-11-6-4-9-14(16)18/h3-6,8-11,15-16,19-20H,2,7,12,24H2,1H3,(H,25,26)(H,27,28)/t15-,19+,20+,23?/m1/s1","VIIKXOMKTCBGQP-XAXZAPFOSA-N",null,67820]
["D11345",18540,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50071968","CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)C(=O)C(=O)NCc1ccccc1","InChI=1S/C39H57N7O12/c1-7-13-25(33(52)38(57)40-20-24-14-10-9-11-15-24)42-36(55)28-16-12-17-46(28)39(58)31(21(3)4)44-37(56)32(22(5)8-2)45-35(54)27(19-30(50)51)43-34(53)26(18-29(48)49)41-23(6)47/h9-11,14-15,21-22,25-28,31-32H,7-8,12-13,16-20H2,1-6H3,(H,40,57)(H,41,47)(H,42,55)(H,43,53)(H,44,56)(H,45,54)(H,48,49)(H,50,51)/t22-,25-,26-,27+,28-,31-,32-/m0/s1","QCEJIUAKOBMHJA-NWEZCWROSA-N",null,"<60"]
["D11346",18539,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50071973","CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)C(=O)C(F)(F)C(F)(F)F","InChI=1S/C33H49F5N6O11/c1-7-10-18(26(50)32(34,35)33(36,37)38)40-29(53)21-11-9-12-44(21)31(55)24(15(3)4)42-30(54)25(16(5)8-2)43-28(52)20(14-23(48)49)41-27(51)19(13-22(46)47)39-17(6)45/h15-16,18-21,24-25H,7-14H2,1-6H3,(H,39,45)(H,40,53)(H,41,51)(H,42,54)(H,43,52)(H,46,47)(H,48,49)/t16-,18-,19-,20+,21-,24-,25-/m0/s1","VQXZIABBULCVKP-VJDGMENDSA-N",null,"<60"]
["D11347",18542,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50071983","CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)C(=O)C(F)(F)F","InChI=1S/C32H49F3N6O11/c1-7-10-18(26(47)32(33,34)35)37-29(50)21-11-9-12-41(21)31(52)24(15(3)4)39-30(51)25(16(5)8-2)40-28(49)20(14-23(45)46)38-27(48)19(13-22(43)44)36-17(6)42/h15-16,18-21,24-25H,7-14H2,1-6H3,(H,36,42)(H,37,50)(H,38,48)(H,39,51)(H,40,49)(H,43,44)(H,45,46)/t16-,18-,19-,20+,21-,24-,25-/m0/s1","RFFLKYMPEXAZRV-VJDGMENDSA-N",null,190]
["D11348",18555,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50071975","CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)C(O)=O","InChI=1S/C31H50N6O12/c1-7-10-18(31(48)49)33-28(45)21-11-9-12-37(21)30(47)24(15(3)4)35-29(46)25(16(5)8-2)36-27(44)20(14-23(41)42)34-26(43)19(13-22(39)40)32-17(6)38/h15-16,18-21,24-25H,7-14H2,1-6H3,(H,32,38)(H,33,45)(H,34,43)(H,35,46)(H,36,44)(H,39,40)(H,41,42)(H,48,49)/t16-,18-,19-,20+,21-,24-,25-/m0/s1","NELACTXYCHECFZ-VJDGMENDSA-N",null,">1000000"]
["D11349",18545,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50071965","CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)C=O","InChI=1S/C31H50N6O11/c1-7-10-19(15-38)33-29(46)22-11-9-12-37(22)31(48)25(16(3)4)35-30(47)26(17(5)8-2)36-28(45)21(14-24(42)43)34-27(44)20(13-23(40)41)32-18(6)39/h15-17,19-22,25-26H,7-14H2,1-6H3,(H,32,39)(H,33,46)(H,34,44)(H,35,47)(H,36,45)(H,40,41)(H,42,43)/t17-,19-,20-,21+,22-,25-,26-/m0/s1","KBTANEXMBBDUOU-MRPWDGRQSA-N",null,2200]
["D11350",18541,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50071966","CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)C(=O)C(=O)NCc1ccccc1","InChI=1S/C39H57N7O12/c1-7-13-25(33(52)38(57)40-20-24-14-10-9-11-15-24)42-36(55)28-16-12-17-46(28)39(58)31(21(3)4)44-37(56)32(22(5)8-2)45-35(54)27(19-30(50)51)43-34(53)26(18-29(48)49)41-23(6)47/h9-11,14-15,21-22,25-28,31-32H,7-8,12-13,16-20H2,1-6H3,(H,40,57)(H,41,47)(H,42,55)(H,43,53)(H,44,56)(H,45,54)(H,48,49)(H,50,51)/t22-,25-,26-,27-,28-,31-,32-/m0/s1","QCEJIUAKOBMHJA-AXKWYGNBSA-N",null,"<60"]
["D11351",18529,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50025846","CCC[C@H](NC(=O)n1ccnc1)C(=O)OC","InChI=1S/C10H15N3O3/c1-3-4-8(9(14)16-2)12-10(15)13-6-5-11-7-13/h5-8H,3-4H2,1-2H3,(H,12,15)/t8-/m0/s1","SEQYBJSLAOAGAV-QMMMGPOBSA-N",840000]
["D11352",642,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197574","CCC[C@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C","InChI=1S/C21H40N4O5S/c1-5-8-15(24-31(29,30)25-16(19(27)28)9-6-7-12-22)18(26)23-17-13-14-10-11-21(17,4)20(14,2)3/h14-17,24-25H,5-13,22H2,1-4H3,(H,23,26)(H,27,28)/t14-,15+,16+,17+,21+/m1/s1","TUNXZSSDGLMJOX-RZSFDFLPSA-N",null,1100]
["D11353",523,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173900","CCC[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C25H40N4O6/c1-2-7-19-17-34-14-5-6-15-35-20-11-9-18(10-12-20)16-22(23(30)27-19)29-25(33)28-21(24(31)32)8-3-4-13-26/h9-12,19,21-22H,2-8,13-17,26H2,1H3,(H,27,30)(H,31,32)(H2,28,29,33)/t19-,21-,22+/m0/s1","MUSDITPAESWTFE-ILWGZMRPSA-N",null,49,{"$nulls":4},7.4,"25.00 C"]
["D11354",13729,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B3","Homo sapiens","BDM19278870","CCC[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc3","InChI=1S/C25H40N4O6/c1-2-7-19-17-34-14-5-6-15-35-20-11-9-18(10-12-20)16-22(23(30)27-19)29-25(33)28-21(24(31)32)8-3-4-13-26/h9-12,19,21-22H,2-8,13-17,26H2,1H3,(H,27,30)(H,31,32)(H2,28,29,33)/t19-,21-,22+/m0/s2","MUSDITPAESWTFE-ILWGZMRPSA-N",-18593.6317476289,98.9976404976405,33688.318673273,{"$nulls":3},6.73731904945835,"25.00 C"]
["D11355",12184,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87280","CCCc1c(C)nc2ccccc2c1SCCC#N","InChI=1S/C16H18N2S/c1-3-7-13-12(2)18-15-9-5-4-8-14(15)16(13)19-11-6-10-17/h4-5,8-9H,3,6-7,11H2,1-2H3","UXAZZNSVAIKCLL-UHFFFAOYSA-N",null,7931]
["D11356",4027,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66928","CCCc1cc(=O)oc2c(C)c(OCC(=O)Nc3ccc(CN4CCOCC4)cc3)ccc12","InChI=1S/C26H30N2O5/c1-3-4-20-15-25(30)33-26-18(2)23(10-9-22(20)26)32-17-24(29)27-21-7-5-19(6-8-21)16-28-11-13-31-14-12-28/h5-10,15H,3-4,11-14,16-17H2,1-2H3,(H,27,29)","XOYJNIWANMLYMC-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11357",4012,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66914","CCCc1cc(=O)oc2cc(C)cc(OCC(=O)Nc3ccc(cc3)S(N)(=O)=O)c12","InChI=1S/C21H22N2O6S/c1-3-4-14-11-20(25)29-18-10-13(2)9-17(21(14)18)28-12-19(24)23-15-5-7-16(8-6-15)30(22,26)27/h5-11H,3-4,12H2,1-2H3,(H,23,24)(H2,22,26,27)","PKAFMNGRPDYQKC-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11358",4795,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Histone-lysine N-methyltransferase MLL2","Homo sapiens","BDBM50400778","CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccnc(c1)N1CCN(C)CC1","InChI=1S/C31H39N7O2/c1-6-7-23-14-21(4)35-31(40)26(23)18-33-30(39)25-15-24(16-28-27(25)19-34-38(28)20(2)3)22-8-9-32-29(17-22)37-12-10-36(5)11-13-37/h8-9,14-17,19-20H,6-7,10-13,18H2,1-5H3,(H,33,39)(H,35,40)","ULNXAWLQFZMIHX-UHFFFAOYSA-N",null,">100000"]
["D11359",31779,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43577","CCCc1cc(no1)C(=O)Nc1cc(OC)c(Cl)cc1OC","InChI=1S/C15H17ClN2O4/c1-4-5-9-6-12(18-22-9)15(19)17-11-8-13(20-2)10(16)7-14(11)21-3/h6-8H,4-5H2,1-3H3,(H,17,19)","STAKNTBCLFFFTI-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D11360",3757,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66372","CCCc1ccc(OCc2ccc(o2)C(=O)N\\N=C\\c2cccc(c2)[N+]([O-])=O)c(OC)c1","InChI=1S/C23H23N3O6/c1-3-5-16-8-10-20(22(13-16)30-2)31-15-19-9-11-21(32-19)23(27)25-24-14-17-6-4-7-18(12-17)26(28)29/h4,6-14H,3,5,15H2,1-2H3,(H,25,27)/b24-14+","HHWSFPWRVYCMEV-ZVHZXABRSA-N",{"$nulls":3},7223]
["D11361",4814,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50305872","CCCc1ccc(cc1)-c1cc2onc(-c3ccccc3)c2c(=O)n1C","InChI=1S/C22H20N2O2/c1-3-7-15-10-12-16(13-11-15)18-14-19-20(22(25)24(18)2)21(23-26-19)17-8-5-4-6-9-17/h4-6,8-14H,3,7H2,1-2H3","NRGQTIMDGBRDBQ-UHFFFAOYSA-N",null,150]
["D11362",3844,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66770","CCCc1nc2cc3n(C)c(=O)n(C)c3cc2[nH]1","InChI=1S/C13H16N4O/c1-4-5-12-14-8-6-10-11(7-9(8)15-12)17(3)13(18)16(10)2/h6-7H,4-5H2,1-3H3,(H,14,15)","UTKDNGWDDSRXFI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11363",4375,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66306","CCCc1nc2sc3CCCc3c2c(=O)n1N","InChI=1S/C12H15N3OS/c1-2-4-9-14-11-10(12(16)15(9)13)7-5-3-6-8(7)17-11/h2-6,13H2,1H3","NKBJVZAGZOPIPL-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11364",31800,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43597","CCCc1nnc(s1)N1C(=O)c2cccc3cccc(C1=O)c23","InChI=1S/C17H13N3O2S/c1-2-5-13-18-19-17(23-13)20-15(21)11-8-3-6-10-7-4-9-12(14(10)11)16(20)22/h3-4,6-9H,2,5H2,1H3","JTZGGOIJKMCNNO-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D11365",11868,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43018","CCCn1c(NC(=O)c2ccc(Br)cc2)nc2ccccc12","InChI=1S/C17H16BrN3O/c1-2-11-21-15-6-4-3-5-14(15)19-17(21)20-16(22)12-7-9-13(18)10-8-12/h3-10H,2,11H2,1H3,(H,19,20,22)","XBLUXDRZFREBQD-UHFFFAOYSA-N",{"$nulls":3},13580]
["D11366",3886,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66808","CCCn1c(SCC(=O)NC)nc2sc3CCCc3c2c1=O","InChI=1S/C15H19N3O2S2/c1-3-7-18-14(20)12-9-5-4-6-10(9)22-13(12)17-15(18)21-8-11(19)16-2/h3-8H2,1-2H3,(H,16,19)","GMDXMOHEDDITOY-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11367",3887,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66809","CCCn1c(SCC(=O)NCC=C)nc2sc3CCCc3c2c1=O","InChI=1S/C17H21N3O2S2/c1-3-8-18-13(21)10-23-17-19-15-14(16(22)20(17)9-4-2)11-6-5-7-12(11)24-15/h3H,1,4-10H2,2H3,(H,18,21)","YDCFTZURSPKSQN-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11368",3598,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50336921","CCCn1c(nc2cccc(Cl)c12)-c1cnc(Nc2ccc(C)nc2)c(Cl)c1","InChI=1S/C21H19Cl2N5/c1-3-9-28-19-16(22)5-4-6-18(19)27-21(28)14-10-17(23)20(25-11-14)26-15-8-7-13(2)24-12-15/h4-8,10-12H,3,9H2,1-2H3,(H,25,26)","RGKVPYQYBUAAEH-UHFFFAOYSA-N",null,">10000"]
["D11369",4231,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66237","CCCn1c2ccccc2n(CCOc2ccc(OC)cc2)c1=N","InChI=1S/C19H23N3O2/c1-3-12-21-17-6-4-5-7-18(17)22(19(21)20)13-14-24-16-10-8-15(23-2)9-11-16/h4-11,20H,3,12-14H2,1-2H3","PTWKKKSNTGCGKY-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11370",17419,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM2593","CCCn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12","InChI=1S/C24H21N3O2/c1-3-12-27-14-18(16-9-5-7-11-20(16)27)22-21(23(28)25-24(22)29)17-13-26(2)19-10-6-4-8-15(17)19/h4-11,13-14H,3,12H2,1-2H3,(H,25,28,29)","NMPSBQCWPUSRMH-UHFFFAOYSA-N",null,3970]
["D11371",3912,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66828","CCCn1cc(c(=O)c2cc(OC)c(OC)cc12)S(=O)(=O)c1ccc(C)cc1","InChI=1S/C21H23NO5S/c1-5-10-22-13-20(28(24,25)15-8-6-14(2)7-9-15)21(23)16-11-18(26-3)19(27-4)12-17(16)22/h6-9,11-13H,5,10H2,1-4H3","OKSCGYLUQKHKDX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11372",333,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226605","CCCn1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)","OTDGPKRCQXSTPV-UHFFFAOYSA-N",46]
["D11373",13539,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19241814","CCCn1cnc(CC(CCCN)C(O)=O)c2","InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)","OTDGPKRCQXSTPV-UHFFFAOYSA-N",-12670.4233402303,-88374.4362504049,33567.7657261307,{"$nulls":3},6.73723518880828]
["D11374",623,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008270","CCCn1cnc(CC(NCCN)C(O)=O)c1","InChI=1S/C11H20N4O2/c1-2-5-15-7-9(14-8-15)6-10(11(16)17)13-4-3-12/h7-8,10,13H,2-6,12H2,1H3,(H,16,17)","UVTMXVBQOPVNHA-UHFFFAOYSA-N",null,620]
["D11375",13829,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19298374","CCCn1cnc(CC(NCCN)C(O)=O)c2","InChI=1S/C11H20N4O2/c1-2-5-15-7-9(14-8-15)6-10(11(16)17)13-4-3-12/h7-8,10,13H,2-6,12H2,1H3,(H,16,17)","UVTMXVBQOPVNHA-UHFFFAOYSA-N",-28809.6701105243,2781.44424934153,33751.7675928216,{"$nulls":3},6.73736318664259]
["D11376",349,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305353","CCCn1cnc(CC(OCCNC)C(O)=O)c1","InChI=1S/C12H21N3O3/c1-3-5-15-8-10(14-9-15)7-11(12(16)17)18-6-4-13-2/h8-9,11,13H,3-7H2,1-2H3,(H,16,17)","ZVHHWSNDCRFPAT-UHFFFAOYSA-N",407]
["D11377",13555,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19244934","CCCn1cnc(CC(OCCNC)C(O)=O)c2","InChI=1S/C12H21N3O3/c1-3-5-15-8-10(14-9-15)7-11(12(16)17)18-6-4-13-2/h8-9,11,13H,3-7H2,1-2H3,(H,16,17)","ZVHHWSNDCRFPAT-UHFFFAOYSA-N",-16936.8432643867,-124239.187395529,33577.9175532584,{"$nulls":3},6.73724225075776]
["D11378",351,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226604","CCCn1cnc(C[C@@H](CCCN)C(O)=O)c1","InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m1/s1","OTDGPKRCQXSTPV-SNVBAGLBSA-N",">700"]
["D11379",13557,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19245324","CCCn1cnc(C[C@@H](CCCN)C(O)=O)c2","InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m1/s2","OTDGPKRCQXSTPV-SNVBAGLBSA-N",">1300",-128722.281288669,33579.1865316494,{"$nulls":3},6.73724313350145]
["D11380",352,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305354","CCCn1cnc(C[C@@H](OCCN)C(O)=O)c1","InChI=1S/C11H19N3O3/c1-2-4-14-7-9(13-8-14)6-10(11(15)16)17-5-3-12/h7-8,10H,2-6,12H2,1H3,(H,15,16)/t10-/m1/s1","JAMWMFGAEKLEEJ-SNVBAGLBSA-N",">1000"]
["D11381",13558,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19245519","CCCn1cnc(C[C@@H](OCCN)C(O)=O)c2","InChI=1S/C11H19N3O3/c1-2-4-14-7-9(13-8-14)6-10(11(15)16)17-5-3-12/h7-8,10H,2-6,12H2,1H3,(H,15,16)/t10-/m1/s2","JAMWMFGAEKLEEJ-SNVBAGLBSA-N",">1600",-130963.82823524,33579.8210208449,{"$nulls":3},6.73724357487329]
["D11382",330,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226610","CCCn1cnc(C[C@H](CCCN)C(O)=O)c1","InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s1","OTDGPKRCQXSTPV-JTQLQIEISA-N",10]
["D11383",13536,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19241229","CCCn1cnc(C[C@H](CCCN)C(O)=O)c2","InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s2","OTDGPKRCQXSTPV-JTQLQIEISA-N",-11870.469604451,-81649.7954106939,33565.8622585442,{"$nulls":3},6.73723386469276]
["D11384",336,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226606","CCCn1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C11H20N4O2/c1-2-5-15-7-9(14-8-15)6-10(11(16)17)13-4-3-12/h7-8,10,13H,2-6,12H2,1H3,(H,16,17)/t10-/m0/s1","UVTMXVBQOPVNHA-JTQLQIEISA-N",84]
["D11385",13542,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19242399","CCCn1cnc(C[C@H](NCCN)C(O)=O)c2","InChI=1S/C11H20N4O2/c1-2-5-15-7-9(14-8-15)6-10(11(16)17)13-4-3-12/h7-8,10,13H,2-6,12H2,1H3,(H,16,17)/t10-/m0/s2","UVTMXVBQOPVNHA-JTQLQIEISA-N",-13470.3770760096,-95099.077090116,33569.6691937171,{"$nulls":3},6.73723651292381]
["D11386",327,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305345","CCCn1cnc(C[C@H](OCCN)C(O)=O)c1","InChI=1S/C11H19N3O3/c1-2-4-14-7-9(13-8-14)6-10(11(15)16)17-5-3-12/h7-8,10H,2-6,12H2,1H3,(H,15,16)/t10-/m0/s1","JAMWMFGAEKLEEJ-JTQLQIEISA-N",6.7]
["D11387",13533,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19240643","CCCn1cnc(C[C@H](OCCN)C(O)=O)c2","InChI=1S/C11H19N3O3/c1-2-4-14-7-9(13-8-14)6-10(11(15)16)17-5-3-12/h7-8,10H,2-6,12H2,1H3,(H,15,16)/t10-/m0/s2","JAMWMFGAEKLEEJ-JTQLQIEISA-N",-11070.5158686716,-74925.1545709829,33563.9587909578,{"$nulls":3},6.73723254057723]
["D11388",552,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326338","CCCn1cnc(c1)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC","InChI=1S/C24H39N3O6/c1-9-12-26-15-18(25-16-26)24(19(28)31-8)14-17(24)11-10-13-27(20(29)32-22(2,3)4)21(30)33-23(5,6)7/h15-17H,9-14H2,1-8H3","XHKYYAOMHHKCJP-UHFFFAOYSA-N",null,97]
["D11389",418,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008271","CCCn1cnc2C[C@@](CCCN)(CCc12)C(O)=O","InChI=1S/C14H23N3O2/c1-2-8-17-10-16-11-9-14(13(18)19,5-3-7-15)6-4-12(11)17/h10H,2-9,15H2,1H3,(H,18,19)/t14-/m1/s1","DPDWQELEXVLQSO-CQSZACIVSA-N",null,8]
["D11390",4060,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66954","CCN(C(=O)CCN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1","InChI=1S/C18H18N2O4S/c1-2-19(14-8-4-3-5-9-14)17(21)12-13-20-18(22)15-10-6-7-11-16(15)25(20,23)24/h3-11H,2,12-13H2,1H3","DSFNLCDEJCYMDD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11391",3774,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66382","CCN(C(=O)c1ccc2c(OCC=C)n(C)nc2c1)c1ccc(OC)cc1","InChI=1S/C21H23N3O3/c1-5-13-27-21-18-12-7-15(14-19(18)22-23(21)3)20(25)24(6-2)16-8-10-17(26-4)11-9-16/h5,7-12,14H,1,6,13H2,2-4H3","UKQPZZHKUTZDGU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11392",3982,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66888","CCN(C(=O)c1ccc2c(c1)nc1CCCCCn1c2=O)c1ccccc1C","InChI=1S/C23H25N3O2/c1-3-25(20-10-7-6-9-16(20)2)22(27)17-12-13-18-19(15-17)24-21-11-5-4-8-14-26(21)23(18)28/h6-7,9-10,12-13,15H,3-5,8,11,14H2,1-2H3","XVESMXVSTPYWRZ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11393",3841,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66767","CCN(C(=O)c1cn(C)c(=O)c2ccccc12)c1ccc(CC)cc1","InChI=1S/C21H22N2O2/c1-4-15-10-12-16(13-11-15)23(5-2)21(25)19-14-22(3)20(24)18-9-7-6-8-17(18)19/h6-14H,4-5H2,1-3H3","OWOCSEZZRXOXQG-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11394",15730,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397651","CCN(C)C(=O)CNc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C20H22N6O2/c1-3-26(2)19(27)12-23-16-8-14(6-7-15(16)9-21)17-10-24-18(11-22-17)25-20(28)13-4-5-13/h6-8,10-11,13,23H,3-5,12H2,1-2H3,(H,24,25,28)","DAMYYCQKOQCEBQ-UHFFFAOYSA-N",null,39.8]
["D11395",15074,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397643","CCN(C)C(=O)[C@H](C)Nc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C21H24N6O2/c1-4-27(3)21(29)13(2)25-17-9-15(7-8-16(17)10-22)18-11-24-19(12-23-18)26-20(28)14-5-6-14/h7-9,11-14,25H,4-6H2,1-3H3,(H,24,26,28)/t13-/m0/s1","QZHATYFRCHTWBK-ZDUSSCGKSA-N",null,10]
["D11396",15364,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397743","CCN(C)C(=O)[C@H](C)Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C20H23N7O2/c1-4-27(3)20(29)12(2)25-15-7-14(9-22-16(15)8-21)17-10-24-18(11-23-17)26-19(28)13-5-6-13/h7,9-13,25H,4-6H2,1-3H3,(H,24,26,28)/t12-/m0/s1","COMNRNYQGPDWQZ-LBPRGKRZSA-N",null,20]
["D11397",14700,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478795","CCN(C)c1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C28H33N9O/c1-3-35(2)26-16-23(30-18-31-26)21-6-7-22-24(15-21)33-28(32-22)34-25-14-19(8-9-29-25)17-36-10-12-37(13-11-36)27(38)20-4-5-20/h6-9,14-16,18,20H,3-5,10-13,17H2,1-2H3,(H2,29,32,33,34)","HYIVCXYKZZGWAT-UHFFFAOYSA-N",null,4.8]
["D11398",14853,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478794","CCN(C)c1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C27H30F3N9O/c1-3-37(2)24-14-21(32-17-33-24)19-4-5-20-22(13-19)35-26(34-20)36-23-12-18(6-7-31-23)16-38-8-10-39(11-9-38)25(40)15-27(28,29)30/h4-7,12-14,17H,3,8-11,15-16H2,1-2H3,(H2,31,34,35,36)","JVCZWEITGHTRCT-UHFFFAOYSA-N",null,6.5]
["D11399",15423,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478793","CCN(C)c1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C29H37N9O2/c1-6-36(5)26-17-23(31-19-32-26)21-7-8-22-24(16-21)34-27(33-22)35-25-15-20(9-10-30-25)18-37-11-13-38(14-12-37)28(39)40-29(2,3)4/h7-10,15-17,19H,6,11-14,18H2,1-5H3,(H2,30,33,34,35)","QAYRYOXIQCGKLX-UHFFFAOYSA-N",null,25]
["D11400",4651,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66593","CCN(C1CCS(=O)(=O)C1)C(=O)CSc1nc2ccccc2n1CC","InChI=1S/C17H23N3O3S2/c1-3-19(13-9-10-25(22,23)12-13)16(21)11-24-17-18-14-7-5-6-8-15(14)20(17)4-2/h5-8,13H,3-4,9-12H2,1-2H3","BGVUKBLCLGQNJV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11401",4103,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66990","CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1c(C)onc1CC","InChI=1S/C18H22ClN3O3/c1-4-15-17(12(3)25-21-15)18(24)22(5-2)11-16(23)20-10-13-6-8-14(19)9-7-13/h6-9H,4-5,10-11H2,1-3H3,(H,20,23)","BKTCPWZDCPQGHN-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11402",3875,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66797","CCN(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1","InChI=1S/C17H18ClFN2O3S/c1-2-21(25(23,24)16-9-7-15(19)8-10-16)12-17(22)20-11-13-3-5-14(18)6-4-13/h3-10H,2,11-12H2,1H3,(H,20,22)","WAIYNJYTDCIRIB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11403",4102,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66989","CCN(CC(=O)Nc1c(F)cccc1F)C(=O)\\C=C\\c1ccc(C)cc1","InChI=1S/C20H20F2N2O2/c1-3-24(19(26)12-11-15-9-7-14(2)8-10-15)13-18(25)23-20-16(21)5-4-6-17(20)22/h4-12H,3,13H2,1-2H3,(H,23,25)/b12-11+","SUEJESRVIGEHJW-VAWYXSNFSA-N",{"$nulls":3},">350000"]
["D11404",4575,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66526","CCN(CC)C(=O)CCCc1c[nH]c2ccccc12","InChI=1S/C16H22N2O/c1-3-18(4-2)16(19)11-7-8-13-12-17-15-10-6-5-9-14(13)15/h5-6,9-10,12,17H,3-4,7-8,11H2,1-2H3","CRDBZMXHDQAHLL-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11405",12385,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42909","CCN(CC)C(=O)CSc1nc2ncccc2[nH]1","InChI=1S/C12H16N4OS/c1-3-16(4-2)10(17)8-18-12-14-9-6-5-7-13-11(9)15-12/h5-7H,3-4,8H2,1-2H3,(H,13,14,15)","DKOZGSFCBXVOGB-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11406",15450,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478455","CCN(CC)C(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ncncc3OC)c2)CC1","InChI=1S/C27H33N9O2/c1-4-35(5-2)27(37)36-12-10-34(11-13-36)17-19-8-9-29-24(14-19)33-26-31-21-7-6-20(15-22(21)32-26)25-23(38-3)16-28-18-30-25/h6-9,14-16,18H,4-5,10-13,17H2,1-3H3,(H2,29,31,32,33)","GDYGOWFBMUXXFS-UHFFFAOYSA-N",null,26.9]
["D11407",4504,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66470","CCN(CC)C(=O)Oc1ccc(Br)c2ccccc12","InChI=1S/C15H16BrNO2/c1-3-17(4-2)15(18)19-14-10-9-13(16)11-7-5-6-8-12(11)14/h5-10H,3-4H2,1-2H3","GBZVAFHGNJOCMQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11408",4296,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66397","CCN(CC)C(=S)SCC(=O)Nc1ccc(F)cc1","InChI=1S/C13H17FN2OS2/c1-3-16(4-2)13(18)19-9-12(17)15-11-7-5-10(14)6-8-11/h5-8H,3-4,9H2,1-2H3,(H,15,17)","PKHQFPYSNCJYOJ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11409",3951,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66858","CCN(CC)C1CCN(C1)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1","InChI=1S/C28H39N3O2/c1-3-30(4-2)25-15-21-31(22-25)28(32)24-10-12-26(13-11-24)33-27-16-19-29(20-17-27)18-14-23-8-6-5-7-9-23/h5-13,25,27H,3-4,14-22H2,1-2H3","KJYLCFIPZIASKR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11410",4124,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67010","CCN(CC)CCCCNc1ncc2CN(C(=O)N(Cc3ccc(NC(=O)C=C)cc3)c2n1)c1c(Cl)c(OC)cc(OC)c1Cl","InChI=1S/C32H39Cl2N7O4/c1-6-26(42)37-23-13-11-21(12-14-23)19-41-30-22(18-36-31(38-30)35-15-9-10-16-39(7-2)8-3)20-40(32(41)43)29-27(33)24(44-4)17-25(45-5)28(29)34/h6,11-14,17-18H,1,7-10,15-16,19-20H2,2-5H3,(H,37,42)(H,35,36,38)","VWOFYIPJIBZAOM-UHFFFAOYSA-N",{"$nulls":3},235600]
["D11411",4240,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66245","CCN(CC)CCCN=C(C)c1c(O)n(-c2ccc(C)cc2)c(=O)[nH]c1=O","InChI=1S/C20H28N4O3/c1-5-23(6-2)13-7-12-21-15(4)17-18(25)22-20(27)24(19(17)26)16-10-8-14(3)9-11-16/h8-11,26H,5-7,12-13H2,1-4H3,(H,22,25,27)/b21-15+","YLLJMWVWASXAII-RCCKNPSSSA-N",{"$nulls":3},">350000"]
["D11412",4239,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66244","CCN(CC)CCCN=C(C)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O","InChI=1S/C19H26N4O3/c1-4-22(5-2)13-9-12-20-14(3)16-17(24)21-19(26)23(18(16)25)15-10-7-6-8-11-15/h6-8,10-11,25H,4-5,9,12-13H2,1-3H3,(H,21,24,26)/b20-14+","ZOIGACOTNBIISP-XSFVSMFZSA-N",{"$nulls":3},">350000"]
["D11413",11858,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43009","CCN(CC)CCCNC(=O)c1ccc2c(SCC(O)=O)c3CCCc3nc2c1","InChI=1S/C22H29N3O3S/c1-3-25(4-2)12-6-11-23-22(28)15-9-10-17-19(13-15)24-18-8-5-7-16(18)21(17)29-14-20(26)27/h9-10,13H,3-8,11-12,14H2,1-2H3,(H,23,28)(H,26,27)","ZXPRGYIFYDHGRQ-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11414",3796,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66728","CCN(CC)CCCNC(=S)N1CCC(CC1)c1nc2ccccc2[nH]1","InChI=1S/C20H31N5S/c1-3-24(4-2)13-7-12-21-20(26)25-14-10-16(11-15-25)19-22-17-8-5-6-9-18(17)23-19/h5-6,8-9,16H,3-4,7,10-15H2,1-2H3,(H,21,26)(H,22,23)","AQNYZVWJRPYODG-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11415",4057,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66951","CCN(CC)CCN(C(=O)c1cc2c(ccc3ccccc23)oc1=O)c1nc2cc3OCCOc3cc2s1","InChI=1S/C29H27N3O5S/c1-3-31(4-2)11-12-32(29-30-22-16-24-25(17-26(22)38-29)36-14-13-35-24)27(33)21-15-20-19-8-6-5-7-18(19)9-10-23(20)37-28(21)34/h5-10,15-17H,3-4,11-14H2,1-2H3","IXBPSLWKPGVLHP-UHFFFAOYSA-N",{"$nulls":3},8310]
["D11416",12355,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42888","CCN(CC)CCN(Cc1cc2cc3OCCOc3cc2[nH]c1=O)C(=O)NC1CCCCC1","InChI=1S/C25H36N4O4/c1-3-28(4-2)10-11-29(25(31)26-20-8-6-5-7-9-20)17-19-14-18-15-22-23(33-13-12-32-22)16-21(18)27-24(19)30/h14-16,20H,3-13,17H2,1-2H3,(H,26,31)(H,27,30)","NCJXXYNWBWUQRU-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11417",25915,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM4814","CCN(CC)CCNC(=O)c1c(C)[nH]c(\\C=C2/C(=O)Nc3ccc(F)cc23)c1C","InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-","WINHZLLDWRZWRT-ATVHPVEESA-N",null,null,">10000"]
["D11418",17659,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357917","CCN(CC)CCNC(=O)c1cc2c(nc1N)oc1ccc(cc1c2=O)C(C)C","InChI=1S/C22H28N4O3/c1-5-26(6-2)10-9-24-21(28)17-12-16-19(27)15-11-14(13(3)4)7-8-18(15)29-22(16)25-20(17)23/h7-8,11-13H,5-6,9-10H2,1-4H3,(H2,23,25)(H,24,28)","PSYQZLYJVZXJAQ-UHFFFAOYSA-N",null,10400]
["D11419",4589,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66539","CCN(CC)CCSc1nnc2c(n1)n(Cc1ccccc1)c1ccccc21","InChI=1S/C22H25N5S/c1-3-26(4-2)14-15-28-22-23-21-20(24-25-22)18-12-8-9-13-19(18)27(21)16-17-10-6-5-7-11-17/h5-13H,3-4,14-16H2,1-2H3","PHKAITMLWITDDV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11420",11856,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43008","CCN(CC)CCn1c(NC(=O)c2ccc(Cl)cc2)nc2ccccc12","InChI=1S/C20H23ClN4O/c1-3-24(4-2)13-14-25-18-8-6-5-7-17(18)22-20(25)23-19(26)15-9-11-16(21)12-10-15/h5-12H,3-4,13-14H2,1-2H3,(H,22,23,26)","UXFUFRUAMAGXED-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11421",4662,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66602","CCN(CC)S(=O)(=O)c1cc(NC(=O)C2Cc3ccccc3C(=O)O2)ccc1C","InChI=1S/C21H24N2O5S/c1-4-23(5-2)29(26,27)19-13-16(11-10-14(19)3)22-20(24)18-12-15-8-6-7-9-17(15)21(25)28-18/h6-11,13,18H,4-5,12H2,1-3H3,(H,22,24)","YWJHMIXTMFTOGS-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11422",4454,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66429","CCN(CC)S(=O)(=O)c1cc(ccc1Cl)C(=O)Nc1ccccc1[N+]([O-])=O","InChI=1S/C17H18ClN3O5S/c1-3-20(4-2)27(25,26)16-11-12(9-10-13(16)18)17(22)19-14-7-5-6-8-15(14)21(23)24/h5-11H,3-4H2,1-2H3,(H,19,22)","AJFAFMACKFUGBN-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11423",31843,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43542","CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc(nc3ccccc23)-c2ccccn2)c1","InChI=1S/C29H31N5O4S/c1-3-34(4-2)39(36,37)21-12-13-28(33-15-17-38-18-16-33)27(19-21)32-29(35)23-20-26(25-11-7-8-14-30-25)31-24-10-6-5-9-22(23)24/h5-14,19-20H,3-4,15-18H2,1-2H3,(H,32,35)","SIDMMGVBIKMQRL-UHFFFAOYSA-N",null,21180]
["D11424",31791,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43588","CCN(CC)S(=O)(=O)c1ccc(cc1)-c1nnc2sc3cccc(C)c3n12","InChI=1S/C19H20N4O2S2/c1-4-22(5-2)27(24,25)15-11-9-14(10-12-15)18-20-21-19-23(18)17-13(3)7-6-8-16(17)26-19/h6-12H,4-5H2,1-3H3","PNLQEEOOYGAIBO-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D11425",11931,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43191","CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)c1","InChI=1S/C21H22N4O6S/c1-3-25(4-2)32(29,30)15-9-7-8-14(12-15)22-18(26)13-31-21(28)19-16-10-5-6-11-17(16)20(27)24-23-19/h5-12H,3-4,13H2,1-2H3,(H,22,26)(H,24,27)","WLWBRKHXXUQAMW-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11426",15306,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478814","CCN(CC)c1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C29H35N9O/c1-3-37(4-2)27-17-24(31-19-32-27)22-7-8-23-25(16-22)34-29(33-23)35-26-15-20(9-10-30-26)18-36-11-13-38(14-12-36)28(39)21-5-6-21/h7-10,15-17,19,21H,3-6,11-14,18H2,1-2H3,(H2,30,33,34,35)","KYFMQVHHWORBAQ-UHFFFAOYSA-N",null,17]
["D11427",15211,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478813","CCN(CC)c1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C28H32F3N9O/c1-3-39(4-2)25-15-22(33-18-34-25)20-5-6-21-23(14-20)36-27(35-21)37-24-13-19(7-8-32-24)17-38-9-11-40(12-10-38)26(41)16-28(29,30)31/h5-8,13-15,18H,3-4,9-12,16-17H2,1-2H3,(H2,32,35,36,37)","IOLAINWZGQGUHP-UHFFFAOYSA-N",null,15]
["D11428",15696,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478812","CCN(CC)c1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C30H39N9O2/c1-6-38(7-2)27-18-24(32-20-33-27)22-8-9-23-25(17-22)35-28(34-23)36-26-16-21(10-11-31-26)19-37-12-14-39(15-13-37)29(40)41-30(3,4)5/h8-11,16-18,20H,6-7,12-15,19H2,1-5H3,(H2,31,34,35,36)","GLGOGWGRDASYSA-UHFFFAOYSA-N",null,36]
["D11429",11981,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43114","CCN(CC)c1ccc(C=Nc2cc(C)ccc2C)c(O)c1","InChI=1S/C19H24N2O/c1-5-21(6-2)17-10-9-16(19(22)12-17)13-20-18-11-14(3)7-8-15(18)4/h7-13,22H,5-6H2,1-4H3","XDZQSTONOMEUCL-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11430",32061,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46351","CCN(CC)c1ccc(NC(=O)CN2C(=O)CSc3ncccc23)c(C)c1","InChI=1S/C20H24N4O2S/c1-4-23(5-2)15-8-9-16(14(3)11-15)22-18(25)12-24-17-7-6-10-21-20(17)27-13-19(24)26/h6-11H,4-5,12-13H2,1-3H3,(H,22,25)","IAVBQSLVXXOVJH-UHFFFAOYSA-N",null,">55700"]
["D11431",4668,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66608","CCN(CC)c1ccc(\\C=N\\CCc2ccc(cc2)S(N)(=O)=O)cc1","InChI=1S/C19H25N3O2S/c1-3-22(4-2)18-9-5-17(6-10-18)15-21-14-13-16-7-11-19(12-8-16)25(20,23)24/h5-12,15H,3-4,13-14H2,1-2H3,(H2,20,23,24)/b21-15+","VPRDFUOKBLSRAS-RCCKNPSSSA-N",{"$nulls":3},">350000"]
["D11432",4357,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM40530","CCN(CC)c1ccc2c(c1)oc(=O)c1c(Cl)cc(=O)oc21","InChI=1S/C16H14ClNO4/c1-3-18(4-2)9-5-6-10-12(7-9)21-16(20)14-11(17)8-13(19)22-15(10)14/h5-8H,3-4H2,1-2H3","ZDKLLWHULUEJNW-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11433",31740,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM30718","CCN(CC)c1ccc2cc(C(=O)Nc3ccccn3)c(=O)oc2c1","InChI=1S/C19H19N3O3/c1-3-22(4-2)14-9-8-13-11-15(19(24)25-16(13)12-14)18(23)21-17-7-5-6-10-20-17/h5-12H,3-4H2,1-2H3,(H,20,21,23)","BQHCBHGIMFAGFX-UHFFFAOYSA-N",{"$nulls":3},10006]
["D11434",4606,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66555","CCN(CC)c1ncnc2n(Cc3ccc(Cl)cc3)ncc12","InChI=1S/C16H18ClN5/c1-3-21(4-2)15-14-9-20-22(16(14)19-11-18-15)10-12-5-7-13(17)8-6-12/h5-9,11H,3-4,10H2,1-2H3","ACOAELCHSHUBFK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11435",25918,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM26300","CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1","InChI=1S/C26H30FN7O3/c1-2-34(10-11-35)9-4-12-37-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(36)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17,35H,2,4,9-12,15H2,1H3,(H,30,36)(H2,28,29,31,32,33)","QYZOGCMHVIGURT-UHFFFAOYSA-N",null,null,">10000"]
["D11436",4208,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67091","CCN(C[C@H]1N[C@](CC)([C@@H]2[C@H]1C(=O)N(Cc1ccccc1)C2=O)C(=O)OC)C(=O)c1ccc(F)cc1","InChI=1S/C27H30FN3O5/c1-4-27(26(35)36-3)22-21(24(33)31(25(22)34)15-17-9-7-6-8-10-17)20(29-27)16-30(5-2)23(32)18-11-13-19(28)14-12-18/h6-14,20-22,29H,4-5,15-16H2,1-3H3/t20-,21+,22-,27-/m1/s1","AKSIBRHUCBVPFX-RSOWOKRSSA-N",{"$nulls":3},">350000"]
["D11437",12121,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM6446","CCN(Cc1ccncc1)C(=O)CC1N(Cc2ccc(F)c(F)c2)CCNC1=O","InChI=1S/C21H24F2N4O2/c1-2-26(13-15-5-7-24-8-6-15)20(28)12-19-21(29)25-9-10-27(19)14-16-3-4-17(22)18(23)11-16/h3-8,11,19H,2,9-10,12-14H2,1H3,(H,25,29)","VVDVOVLARAJGHX-UHFFFAOYSA-N",null,4935]
["D11438",12261,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87258","CCN(c1cccc(C)c1)c1ncnc2nc[nH]c12","InChI=1S/C14H15N5/c1-3-19(11-6-4-5-10(2)7-11)14-12-13(16-8-15-12)17-9-18-14/h4-9H,3H2,1-2H3,(H,15,16,17,18)","CTDXEWJCWVGZDJ-UHFFFAOYSA-N",null,15548]
["D11439",31690,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43517","CCN1C(=S)N(CC)C(=O)C(=CNNC(=O)c2ccncc2)C1=O","InChI=1S/C15H17N5O3S/c1-3-19-13(22)11(14(23)20(4-2)15(19)24)9-17-18-12(21)10-5-7-16-8-6-10/h5-9,17H,3-4H2,1-2H3,(H,18,21)","PNAMZPZFGHPTBP-UHFFFAOYSA-N",null,4423]
["D11440",4460,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66432","CCN1C(=S)O\\C(C1=O)=C1\\Sc2ccccc2N1CC","InChI=1S/C14H14N2O2S2/c1-3-15-9-7-5-6-8-10(9)20-13(15)11-12(17)16(4-2)14(19)18-11/h5-8H,3-4H2,1-2H3/b13-11+","JNOADJJNFHPXOI-ACCUITESSA-N",{"$nulls":3},">350000"]
["D11441",12451,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42964","CCN1CCCC1CNC(=O)c1cc2c(nn(C)c2s1)-c1ccc(Cl)cc1","InChI=1S/C20H23ClN4OS/c1-3-25-10-4-5-15(25)12-22-19(26)17-11-16-18(23-24(2)20(16)27-17)13-6-8-14(21)9-7-13/h6-9,11,15H,3-5,10,12H2,1-2H3,(H,22,26)","PCJHPJKWAQUXIC-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11442",4210,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM84436","CCN1CCN(CC(=O)Nc2cc(F)ccc2C)CC1","InChI=1S/C15H22FN3O/c1-3-18-6-8-19(9-7-18)11-15(20)17-14-10-13(16)5-4-12(14)2/h4-5,10H,3,6-9,11H2,1-2H3,(H,17,20)","CYDSJBTZAFWQIN-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11443",31792,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43589","CCN1CCN(CC1)C(=O)c1cc2c(nn(C)c2s1)-c1ccc(Cl)cc1","InChI=1S/C19H21ClN4OS/c1-3-23-8-10-24(11-9-23)18(25)16-12-15-17(21-22(2)19(15)26-16)13-4-6-14(20)7-5-13/h4-7,12H,3,8-11H2,1-2H3","UKWKCPDKMMKIDA-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D11444",12114,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM6132","CCN1CCN(CC1)C(=S)c1ccc(cc1)-c1ccccc1","InChI=1S/C19H22N2S/c1-2-20-12-14-21(15-13-20)19(22)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3","QADHHGQJXDVHRV-UHFFFAOYSA-N",null,4622]
["D11445",4020,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66922","CCN1CCN(CC1)c1nc2ccccc2nc1NS(=O)(=O)c1ccc(NC(C)=O)cc1","InChI=1S/C22H26N6O3S/c1-3-27-12-14-28(15-13-27)22-21(24-19-6-4-5-7-20(19)25-22)26-32(30,31)18-10-8-17(9-11-18)23-16(2)29/h4-11H,3,12-15H2,1-2H3,(H,23,29)(H,24,26)","LEPCWMADTGGEOV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11446",25931,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM31085","CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1","InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)","ODPGGGTTYSGTGO-UHFFFAOYSA-N",null,null,">10000"]
["D11447",31429,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Cyclin-dependent kinase 11B","Homo sapiens","BDBM124970","CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1","InChI=1S/C29H25F3N8OS/c1-17-34-24(16-25(35-17)40-12-10-33-11-13-40)39-28-38-23-9-8-22(37-27(23)42-28)18-4-2-5-19(14-18)26(41)36-21-7-3-6-20(15-21)29(30,31)32/h2-9,14-16,33H,10-13H2,1H3,(H,36,41)(H,34,35,38,39)","LQPZDDNAQNTKSD-UHFFFAOYSA-N",null,null,32,{"$nulls":3},7.4,"25.00 C"]
["D11448",3819,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66749","CCNC(=O)C(=C\\c1c(nc2c(C)cccn2c1=O)N1CCN(C)CC1)\\C#N","InChI=1S/C20H24N6O2/c1-4-22-19(27)15(13-21)12-16-18(25-10-8-24(3)9-11-25)23-17-14(2)6-5-7-26(17)20(16)28/h5-7,12H,4,8-11H2,1-3H3,(H,22,27)/b15-12+","NZSXRUUBGZSPBF-NTCAYCPXSA-N",{"$nulls":3},">350000"]
["D11449",4565,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66517","CCNC(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O","InChI=1S/C12H17BrN2O3S/c1-4-14-12(16)8-15(19(3,17)18)10-5-6-11(13)9(2)7-10/h5-7H,4,8H2,1-3H3,(H,14,16)","SVFBMAIVKOQIKT-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11450",16521,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397755","CCNC(=O)CNc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C19H20N6O2/c1-2-21-18(26)11-23-15-7-13(5-6-14(15)8-20)16-9-24-17(10-22-16)25-19(27)12-3-4-12/h5-7,9-10,12,23H,2-4,11H2,1H3,(H,21,26)(H,24,25,27)","GYGZMEDCQXVSJN-UHFFFAOYSA-N",null,316]
["D11451",25864,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit alpha-1C/L-type calcium channel subunit beta-3/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM327852","CCNC[C@]1(Cc2nnn[nH]2)C[C@H]2CC(CC)=C[C@@H]12",{"$nulls":3},">500"]
["D11452",18268,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478798","CCNc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C27H31N9O/c1-2-28-24-15-22(30-17-31-24)20-5-6-21-23(14-20)33-27(32-21)34-25-13-18(7-8-29-25)16-35-9-11-36(12-10-35)26(37)19-3-4-19/h5-8,13-15,17,19H,2-4,9-12,16H2,1H3,(H,28,30,31)(H2,29,32,33,34)","FDNLBFJBMFJFMO-UHFFFAOYSA-N",null,2.3]
["D11453",16111,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478797","CCNc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C26H28F3N9O/c1-2-30-22-13-20(32-16-33-22)18-3-4-19-21(12-18)35-25(34-19)36-23-11-17(5-6-31-23)15-37-7-9-38(10-8-37)24(39)14-26(27,28)29/h3-6,11-13,16H,2,7-10,14-15H2,1H3,(H,30,32,33)(H2,31,34,35,36)","GFQRAXINDRWRLY-UHFFFAOYSA-N",null,2]
["D11454",14694,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478796","CCNc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C28H35N9O2/c1-5-29-24-16-22(31-18-32-24)20-6-7-21-23(15-20)34-26(33-21)35-25-14-19(8-9-30-25)17-36-10-12-37(13-11-36)27(38)39-28(2,3)4/h6-9,14-16,18H,5,10-13,17H2,1-4H3,(H,29,31,32)(H2,30,33,34,35)","VAHSTMDDKFPTFN-UHFFFAOYSA-N",null,4.7]
["D11455",11824,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42978","CCOC(=O)C(=C/C=C1C=CN(CC=C)C=C1)\\C#N","InChI=1S/C15H16N2O2/c1-3-9-17-10-7-13(8-11-17)5-6-14(12-16)15(18)19-4-2/h3,5-8,10-11H,1,4,9H2,2H3/b14-6-","YBLJJUJKZAXDPG-NSIKDUERSA-N",{"$nulls":3},">79370"]
["D11456",3889,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66810","CCOC(=O)C(=C/c1ccc(OC)c(OC)c1)\\C(=O)c1cccnc1","InChI=1S/C19H19NO5/c1-4-25-19(22)15(18(21)14-6-5-9-20-12-14)10-13-7-8-16(23-2)17(11-13)24-3/h5-12H,4H2,1-3H3/b15-10-","CHLNLMHGMDJDAF-GDNBJRDFSA-N",{"$nulls":3},">350000"]
["D11457",32150,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43686","CCOC(=O)C(=C\\c1cc(C)n(c1C)-c1ccccc1)\\C#N","InChI=1S/C18H18N2O2/c1-4-22-18(21)16(12-19)11-15-10-13(2)20(14(15)3)17-8-6-5-7-9-17/h5-11H,4H2,1-3H3/b16-11+","IKQDYQGUNZNQGO-LFIBNONCSA-N",{"$nulls":3},3307]
["D11458",4522,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM61070","CCOC(=O)C(=Cc1ccc(OC(F)F)cc1)C1=Nn2c(SC1)nnc2-c1ccc(Cl)cc1","InChI=1S/C22H17ClF2N4O3S/c1-2-31-20(30)17(11-13-3-9-16(10-4-13)32-21(24)25)18-12-33-22-27-26-19(29(22)28-18)14-5-7-15(23)8-6-14/h3-11,21H,2,12H2,1H3","IHJCKBWPCNFLBM-UHFFFAOYSA-N",{"$nulls":3},6176]
["D11459",4295,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM54216","CCOC(=O)C(=Cc1ccc(OCc2ccc(cc2)[N+]([O-])=O)c(OC)c1)C(=O)OCC","InChI=1S/C22H23NO8/c1-4-29-21(24)18(22(25)30-5-2)12-16-8-11-19(20(13-16)28-3)31-14-15-6-9-17(10-7-15)23(26)27/h6-13H,4-5,14H2,1-3H3","BZAYIUFCXAOJMR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11460",4435,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM61020","CCOC(=O)C(=Cc1ccc(cc1)[N+]([O-])=O)C(=O)c1cc(C(C)=O)c(Nc2ccccc2)s1","InChI=1S/C24H20N2O6S/c1-3-32-24(29)20(13-16-9-11-18(12-10-16)26(30)31)22(28)21-14-19(15(2)27)23(33-21)25-17-7-5-4-6-8-17/h4-14,25H,3H2,1-2H3","RRSKMSANYZGFTF-UHFFFAOYSA-N",{"$nulls":3},1896]
["D11461",4436,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM61447","CCOC(=O)C(=Cc1cccnc1)C(=O)c1cc(C(C)=O)c(Nc2ccccc2)s1","InChI=1S/C23H20N2O4S/c1-3-29-23(28)19(12-16-8-7-11-24-14-16)21(27)20-13-18(15(2)26)22(30-20)25-17-9-5-4-6-10-17/h4-14,25H,3H2,1-2H3","MSNVTPVXNQSCLH-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11462",18513,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50014745","CCOC(=O)C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1","InChI=1S/C23H32N4O8/c1-6-34-22(32)18(28)13(2)24-19(29)14(3)25-20(30)15(4)26-21(31)16(5)27-23(33)35-12-17-10-8-7-9-11-17/h7-11,13-16H,6,12H2,1-5H3,(H,24,29)(H,25,30)(H,26,31)(H,27,33)/t13-,14-,15-,16-/m0/s1","ISXQJHAPGCZYMI-VGWMRTNUSA-N",140]
["D11463",4680,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM38802","CCOC(=O)C(C(=O)OCC)c1cc(Br)c2noc3-c4ccccc4C(=O)c1c23","InChI=1S/C21H16BrNO6/c1-3-27-20(25)15(21(26)28-4-2)12-9-13(22)17-16-14(12)18(24)10-7-5-6-8-11(10)19(16)29-23-17/h5-9,15H,3-4H2,1-2H3","HFSGTAOLUKMOQF-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11464",4439,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM65985","CCOC(=O)C(C(C(=O)OCC)C(=O)OCC)N1CCOCC1","InChI=1S/C15H25NO7/c1-4-21-13(17)11(14(18)22-5-2)12(15(19)23-6-3)16-7-9-20-10-8-16/h11-12H,4-10H2,1-3H3","LAPARRLKIPFHNV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11465",12094,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM34264","CCOC(=O)C(C(C)=O)c1c(Br)c(O)c(O)c2c(coc12)C(=O)c1ccc(C)cc1","InChI=1S/C22H19BrO7/c1-4-29-22(28)14(11(3)24)16-17(23)20(27)19(26)15-13(9-30-21(15)16)18(25)12-7-5-10(2)6-8-12/h5-9,14,26-27H,4H2,1-3H3","UYUXWHJPWJUMJI-UHFFFAOYSA-N",null,4109]
["D11466",31695,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43511","CCOC(=O)C(C=Nc1cc(C)nn1-c1ccccc1)C(=O)OCC","InChI=1S/C18H21N3O4/c1-4-24-17(22)15(18(23)25-5-2)12-19-16-11-13(3)20-21(16)14-9-7-6-8-10-14/h6-12,15H,4-5H2,1-3H3","LXBRLIRZKDCHED-UHFFFAOYSA-N",null,6371]
["D11467",12063,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87289","CCOC(=O)C(C=Nc1ccc(NC2=NCC(C)S2)cc1)C(=O)OCC","InChI=1S/C18H23N3O4S/c1-4-24-16(22)15(17(23)25-5-2)11-19-13-6-8-14(9-7-13)21-18-20-10-12(3)26-18/h6-9,11-12,15H,4-5,10H2,1-3H3,(H,20,21)","MKQXETKEWOIERT-UHFFFAOYSA-N",null,3323]
["D11468",385,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395740","CCOC(=O)C(CCCCCN)CSC(C)=O","InChI=1S/C12H23NO3S/c1-3-16-12(15)11(9-17-10(2)14)7-5-4-6-8-13/h11H,3-9,13H2,1-2H3","FHCMTCNRCACFAB-UHFFFAOYSA-N",null,3.1]
["D11469",384,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395736","CCOC(=O)C(CCCCCN)C[Se]C(=O)CC","InChI=1S/C13H25NO3Se/c1-3-12(15)18-10-11(13(16)17-4-2)8-6-5-7-9-14/h11H,3-10,14H2,1-2H3","BOAPBPBQRLRKGC-UHFFFAOYSA-N",null,3]
["D11470",406,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395739","CCOC(=O)C(CS)CCCCCN","InChI=1S/C10H21NO2S/c1-2-13-10(12)9(8-14)6-4-3-5-7-11/h9,14H,2-8,11H2,1H3","OCHZJRQCQXNQFN-UHFFFAOYSA-N",null,6.2]
["D11471",372,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395731","CCOC(=O)C(C[Se]C(=O)CC)Cc1ccc(N)nc1","InChI=1S/C14H20N2O3Se/c1-3-13(17)20-9-11(14(18)19-4-2)7-10-5-6-12(15)16-8-10/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,15,16)","UHQFZYXCXBJDLU-UHFFFAOYSA-N",null,1.8]
["D11472",13578,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19249420","CCOC(=O)C(C[Se]C(=O)CC)Cc1ccc(N)nc2","InChI=1S/C14H20N2O3Se/c1-3-13(17)20-9-11(14(18)19-4-2)7-10-5-6-12(15)16-8-10/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,15,16)","UHQFZYXCXBJDLU-UHFFFAOYSA-N",-3167.41381965691,-175794.767166645,33592.5108047546,{"$nulls":3},6.73725240231014]
["D11473",389,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395729","CCOC(=O)C(C[Se]C(=O)CC)Cc1cnc(N)c(Cl)c1","InChI=1S/C14H19ClN2O3Se/c1-3-12(18)21-8-10(14(19)20-4-2)5-9-6-11(15)13(16)17-7-9/h6-7,10H,3-5,8H2,1-2H3,(H2,16,17)","KUNRSCIAQGRNQR-UHFFFAOYSA-N",null,">3.8"]
["D11474",13595,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19252736","CCOC(=O)C(C[Se]C(=O)CC)Cc1cnc(N)c(Cl)c2","InChI=1S/C14H19ClN2O3Se/c1-3-12(18)21-8-10(14(19)20-4-2)5-9-6-11(15)13(16)17-7-9/h6-7,10H,3-5,8H2,1-2H3,(H2,16,17)","KUNRSCIAQGRNQR-UHFFFAOYSA-N",-4904.14034134911,">3.8",33603.2971210779,{"$nulls":3},6.73725990563146]
["D11475",3783,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66716","CCOC(=O)C(Cc1ccc(N)cc1)N1C(=O)c2ccccc2C1=O","InChI=1S/C19H18N2O4/c1-2-25-19(24)16(11-12-7-9-13(20)10-8-12)21-17(22)14-5-3-4-6-15(14)18(21)23/h3-10,16H,2,11,20H2,1H3","RYROTMZMTMCWEP-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11476",18521,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50014733","CCOC(=O)C(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)OC)C(C)C","InChI=1S/C25H38F2N4O9/c1-7-40-24(38)25(26,27)20(34)19(13(2)3)30-22(36)16-9-8-12-31(16)23(37)15(5)29-21(35)14(4)28-17(32)10-11-18(33)39-6/h13-16,19H,7-12H2,1-6H3,(H,28,32)(H,29,35)(H,30,36)/t14-,15-,16-,19-/m0/s1","YSTCCBDGZQEDDG-FPXQBCRKSA-N",9900]
["D11477",4405,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66326","CCOC(=O)C(NC(=O)c1ccc(OC)cc1)(N1CCCC1=O)C(F)(F)F","InChI=1S/C17H19F3N2O5/c1-3-27-15(25)16(17(18,19)20,22-10-4-5-13(22)23)21-14(24)11-6-8-12(26-2)9-7-11/h6-9H,3-5,10H2,1-2H3,(H,21,24)","JWKKQADNRMZYJD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11478",484,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326353","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(Cl)cc1","InChI=1S/C28H38ClN3O6/c1-8-36-23(33)28(22-17-31(18-30-22)21-13-11-20(29)12-14-21)16-19(28)10-9-15-32(24(34)37-26(2,3)4)25(35)38-27(5,6)7/h11-14,17-19H,8-10,15-16H2,1-7H3","QQHICDIVRINOOI-UHFFFAOYSA-N",null,25]
["D11479",13690,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19271264","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(Cl)cc2","InChI=1S/C28H38ClN3O6/c1-8-36-23(33)28(22-17-31(18-30-22)21-13-11-20(29)12-14-21)16-19(28)10-9-15-32(24(34)37-26(2,3)4)25(35)38-27(5,6)7/h11-14,17-19H,8-10,15-16H2,1-7H4","QQHICDIVRINOOI-UHFFFAOYSA-N",-14609.3767860997,61.9454132141549,33663.5735946491,{"$nulls":3},6.73730183595649]
["D11480",467,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326376","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(F)cn1","InChI=1S/C27H37FN4O6/c1-8-36-22(33)27(20-16-31(17-30-20)21-12-11-19(28)15-29-21)14-18(27)10-9-13-32(23(34)37-25(2,3)4)24(35)38-26(5,6)7/h11-12,15-18H,8-10,13-14H2,1-7H3","GCUVSXYFBMENNG-UHFFFAOYSA-N",null,19]
["D11481",13673,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19267948","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(F)cn2","InChI=1S/C27H37FN4O6/c1-8-36-22(33)27(20-16-31(17-30-20)21-12-11-19(28)15-29-21)14-18(27)10-9-13-32(23(34)37-25(2,3)4)24(35)38-26(5,6)7/h11-12,15-18H,8-10,13-14H2,1-7H4","GCUVSXYFBMENNG-UHFFFAOYSA-N",-12872.6502644075,57.1679231138986,33652.7872783258,{"$nulls":3},6.73729433263517]
["D11482",489,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326356","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc2ccccc2c1","InChI=1S/C32H41N3O6/c1-8-39-27(36)32(26-20-34(21-33-26)25-16-15-22-12-9-10-13-23(22)18-25)19-24(32)14-11-17-35(28(37)40-30(2,3)4)29(38)41-31(5,6)7/h9-10,12-13,15-16,18,20-21,24H,8,11,14,17,19H2,1-7H3","OOSFUHURBBEUAN-UHFFFAOYSA-N",null,27]
["D11483",13695,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19272239","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc2ccccc2c2","InChI=1S/C32H41N3O6/c1-8-39-27(36)32(26-20-34(21-33-26)25-16-15-22-12-9-10-13-23(22)18-25)19-24(32)14-11-17-35(28(37)40-30(2,3)4)29(38)41-31(5,6)7/h9-10,12-13,15-16,18,20-21,24H,8,11,14,17,19H2,1-7H4","OOSFUHURBBEUAN-UHFFFAOYSA-N",-15120.1787042445,63.3505573612892,33666.7460406265,{"$nulls":3},6.7373040428157]
["D11484",542,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326354","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1cccc(Cl)c1","InChI=1S/C28H38ClN3O6/c1-8-36-23(33)28(22-17-31(18-30-22)21-13-9-12-20(29)15-21)16-19(28)11-10-14-32(24(34)37-26(2,3)4)25(35)38-27(5,6)7/h9,12-13,15,17-19H,8,10-11,14,16H2,1-7H3","KTLVMHNIYOLAOG-UHFFFAOYSA-N",null,70]
["D11485",13748,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B3","Homo sapiens","BDM19282576","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1cccc(Cl)c2","InChI=1S/C28H38ClN3O6/c1-8-36-23(33)28(22-17-31(18-30-22)21-13-9-12-20(29)15-21)16-19(28)11-10-14-32(24(34)37-26(2,3)4)25(35)38-27(5,6)7/h9,12-13,15,17-19H,8,10-11,14,16H2,1-7H4","KTLVMHNIYOLAOG-UHFFFAOYSA-N",-20534.679036579,128.035607035607,33700.3739679872,{"$nulls":3},6.73732743552335]
["D11486",515,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326357","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1cccc(F)c1","InChI=1S/C28H38FN3O6/c1-8-36-23(33)28(22-17-31(18-30-22)21-13-9-12-20(29)15-21)16-19(28)11-10-14-32(24(34)37-26(2,3)4)25(35)38-27(5,6)7/h9,12-13,15,17-19H,8,10-11,14,16H2,1-7H3","GNXBOSHAQUUWGX-UHFFFAOYSA-N",null,40]
["D11487",13721,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19277310","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1cccc(F)c2","InChI=1S/C28H38FN3O6/c1-8-36-23(33)28(22-17-31(18-30-22)21-13-9-12-20(29)15-21)16-19(28)11-10-14-32(24(34)37-26(2,3)4)25(35)38-27(5,6)7/h9,12-13,15,17-19H,8,10-11,14,16H2,1-7H4","GNXBOSHAQUUWGX-UHFFFAOYSA-N",-17776.3486785973,70.6573069263871,33683.2427597091,{"$nulls":3},6.73731551848361]
["D11488",579,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326355","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccccc1Cl","InChI=1S/C28H38ClN3O6/c1-8-36-23(33)28(22-17-31(18-30-22)21-14-10-9-13-20(21)29)16-19(28)12-11-15-32(24(34)37-26(2,3)4)25(35)38-27(5,6)7/h9-10,13-14,17-19H,8,11-12,15-16H2,1-7H3","DJUGKLDQGDPBHX-UHFFFAOYSA-N",null,140]
["D11489",493,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326360","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccccn1","InChI=1S/C27H38N4O6/c1-8-35-22(32)27(20-17-30(18-29-20)21-13-9-10-14-28-21)16-19(27)12-11-15-31(23(33)36-25(2,3)4)24(34)37-26(5,6)7/h9-10,13-14,17-19H,8,11-12,15-16H2,1-7H3","IUDKZRZTRYNEKG-UHFFFAOYSA-N",null,29]
["D11490",13699,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19273019","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccccn2","InChI=1S/C27H38N4O6/c1-8-35-22(32)27(20-17-30(18-29-20)21-13-9-10-14-28-21)16-19(27)12-11-15-31(23(33)36-25(2,3)4)24(34)37-26(5,6)7/h9-10,13-14,17-19H,8,11-12,15-16H2,1-7H4","IUDKZRZTRYNEKG-UHFFFAOYSA-N",-15528.8202387603,64.4746726789966,33669.2839974084,{"$nulls":3},6.73730580830307]
["D11491",553,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326359","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1cccnc1","InChI=1S/C27H38N4O6/c1-8-35-22(32)27(21-17-30(18-29-21)20-12-9-13-28-16-20)15-19(27)11-10-14-31(23(33)36-25(2,3)4)24(34)37-26(5,6)7/h9,12-13,16-19H,8,10-11,14-15H2,1-7H3","ODVCYHBLCRTKDE-UHFFFAOYSA-N",null,98]
["D11492",13759,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19284721","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1cccnc2","InChI=1S/C27H38N4O6/c1-8-35-22(32)27(21-17-30(18-29-21)20-12-9-13-28-16-20)15-19(27)11-10-14-31(23(33)36-25(2,3)4)24(34)37-26(5,6)7/h9,12-13,16-19H,8,10-11,14-15H2,1-7H4","ODVCYHBLCRTKDE-UHFFFAOYSA-N",-21658.4432564975,144.847061347061,33707.3533491376,{"$nulls":3},6.73733229061362]
["D11493",586,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326358","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccncc1","InChI=1S/C27H38N4O6/c1-8-35-22(32)27(21-17-30(18-29-21)20-11-13-28-14-12-20)16-19(27)10-9-15-31(23(33)36-25(2,3)4)24(34)37-26(5,6)7/h11-14,17-19H,8-10,15-16H2,1-7H3","SCXGYZUIGNKQEJ-UHFFFAOYSA-N",null,170]
["D11494",13792,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19291158","CCOC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccncc2","InChI=1S/C27H38N4O6/c1-8-35-22(32)27(21-17-30(18-29-21)20-11-13-28-14-12-20)16-19(27)10-9-15-31(23(33)36-25(2,3)4)24(34)37-26(5,6)7/h11-14,17-19H,8-10,15-16H2,1-7H4","SCXGYZUIGNKQEJ-UHFFFAOYSA-N",-25029.735916253,349.057847321005,33728.2914925886,{"$nulls":3},6.73734685588442]
["D11495",698,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326361","CCOC(=O)C1(CC1CCCN)c1cn(cn1)-c1ccc(C)cc1","InChI=1S/C19H25N3O2/c1-3-24-18(23)19(11-15(19)5-4-10-20)17-12-22(13-21-17)16-8-6-14(2)7-9-16/h6-9,12-13,15H,3-5,10-11,20H2,1-2H3","LVXJMKKSUFMMJM-UHFFFAOYSA-N",null,10000]
["D11496",601,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326370","CCOC(=O)C1(CC1CCCNC(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(Br)cn1","InChI=1S/C22H29BrN4O4/c1-5-30-19(28)22(11-15(22)7-6-10-24-20(29)31-21(2,3)4)17-13-27(14-26-17)18-9-8-16(23)12-25-18/h8-9,12-15H,5-7,10-11H2,1-4H3,(H,24,29)","COHIAVKBVGMITP-UHFFFAOYSA-N",null,340]
["D11497",13807,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B3","Homo sapiens","BDM19294083","CCOC(=O)C1(CC1CCCNC(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(Br)cn2","InChI=1S/C22H29BrN4O4/c1-5-30-19(28)22(11-15(22)7-6-10-24-20(29)31-21(2,3)4)17-13-27(14-26-17)18-9-8-16(23)12-25-18/h8-9,12-15H,5-7,10-11H2,1-4H3,(H,24,29)","COHIAVKBVGMITP-UHFFFAOYSA-N",-26562.1416706873,2119.68194831469,33737.8088305209,{"$nulls":3},6.73735347646206]
["D11498",32203,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43642","CCOC(=O)C1(CC2CCCCO2)CCN(Cc2cc3ccccc3[nH]2)CC1","InChI=1S/C23H32N2O3/c1-2-27-22(26)23(16-20-8-5-6-14-28-20)10-12-25(13-11-23)17-19-15-18-7-3-4-9-21(18)24-19/h3-4,7,9,15,20,24H,2,5-6,8,10-14,16-17H2,1H3","GFOQPIMADNTODH-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D11499",3453,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM86213","CCOC(=O)C12CC1C(N=O)c1ccccc1O2","InChI=1S/C13H13NO4/c1-2-17-12(15)13-7-9(13)11(14-16)8-5-3-4-6-10(8)18-13/h3-6,9,11H,2,7H2,1H3","FINYWNDRBPWDDL-UHFFFAOYSA-N",">100000"]
["D11500",4304,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66403","CCOC(=O)C1=C(C)N(C)C(=O)C1CC(O)=O","InChI=1S/C11H15NO5/c1-4-17-11(16)9-6(2)12(3)10(15)7(9)5-8(13)14/h7H,4-5H2,1-3H3,(H,13,14)","MAVRQWRDRQLIBK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11501",4538,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66494","CCOC(=O)C1=C(C)N(CCCC(O)=O)C(=O)NC1c1ccccc1OS(=O)(=O)c1ccc(C)cc1","InChI=1S/C25H28N2O8S/c1-4-34-24(30)22-17(3)27(15-7-10-21(28)29)25(31)26-23(22)19-8-5-6-9-20(19)35-36(32,33)18-13-11-16(2)12-14-18/h5-6,8-9,11-14,23H,4,7,10,15H2,1-3H3,(H,26,31)(H,28,29)","OPDDLPNBPOCBCY-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11502",32082,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM33082","CCOC(=O)C1=C(Cc2ccc(C)cc2)C(=O)c2ccccc2C1=O","InChI=1S/C21H18O4/c1-3-25-21(24)18-17(12-14-10-8-13(2)9-11-14)19(22)15-6-4-5-7-16(15)20(18)23/h4-11H,3,12H2,1-2H3","BPOJTSJPTIZJSW-UHFFFAOYSA-N",null,">55700"]
["D11503",3734,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM43375","CCOC(=O)C1=C(O\\C(S1)=C(\\C#N)C(F)(F)F)c1ccccc1","InChI=1S/C15H10F3NO3S/c1-2-21-13(20)12-11(9-6-4-3-5-7-9)22-14(23-12)10(8-19)15(16,17)18/h3-7H,2H2,1H3/b14-10+","XYSDWCDTJKHDGV-GXDHUFHOSA-N",{"$nulls":3},">350000"]
["D11504",11836,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42989","CCOC(=O)C1=NN(C2=NC(C)=C(C(N12)c1cccs1)C(=O)OC)c1cccc(Cl)c1","InChI=1S/C21H19ClN4O4S/c1-4-30-20(28)18-24-26(14-8-5-7-13(22)11-14)21-23-12(2)16(19(27)29-3)17(25(18)21)15-9-6-10-31-15/h5-11,17H,4H2,1-3H3","KZZAEOSWPHIXMP-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11505",4637,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66582","CCOC(=O)C1=NOC(COc2ccccc2C=O)C1","InChI=1S/C14H15NO5/c1-2-18-14(17)12-7-11(20-15-12)9-19-13-6-4-3-5-10(13)8-16/h3-6,8,11H,2,7,9H2,1H3","MPAUAEHICOXSQE-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11506",12368,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42899","CCOC(=O)C1C(N=C(SCC(O)=O)N=C1C)c1ccccc1","InChI=1S/C16H18N2O4S/c1-3-22-15(21)13-10(2)17-16(23-9-12(19)20)18-14(13)11-7-5-4-6-8-11/h4-8,13-14H,3,9H2,1-2H3,(H,19,20)","MKFPQNMYNYRJJP-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11507",12417,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42937","CCOC(=O)C1CCCN(C1)S(=O)(=O)c1cc(Br)cc2CCN(C(=O)C3CC3)c12","InChI=1S/C20H25BrN2O5S/c1-2-28-20(25)15-4-3-8-22(12-15)29(26,27)17-11-16(21)10-14-7-9-23(18(14)17)19(24)13-5-6-13/h10-11,13,15H,2-9,12H2,1H3","YQQHTPZSAUDDQX-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11508",11926,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43186","CCOC(=O)C1CCN(CC1)C(=O)CSc1ccccc1Cl","InChI=1S/C16H20ClNO3S/c1-2-21-16(20)12-7-9-18(10-8-12)15(19)11-22-14-6-4-3-5-13(14)17/h3-6,12H,2,7-11H2,1H3","OAXDEJIQWHXCJI-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11509",12036,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43167","CCOC(=O)C1CCN(CCC(=O)Nc2ccc(C)c(C)c2)CC1","InChI=1S/C19H28N2O3/c1-4-24-19(23)16-7-10-21(11-8-16)12-9-18(22)20-17-6-5-14(2)15(3)13-17/h5-6,13,16H,4,7-12H2,1-3H3,(H,20,22)","HQOMKYWUOQWZJM-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11510",4555,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66507","CCOC(=O)C=c1sc(=Cc2ccc(cc2)C#N)c(=O)n1CC(=O)Nc1cccc(C)c1C","InChI=1S/C25H23N3O4S/c1-4-32-24(30)13-23-28(15-22(29)27-20-7-5-6-16(2)17(20)3)25(31)21(33-23)12-18-8-10-19(14-26)11-9-18/h5-13H,4,15H2,1-3H3,(H,27,29)","DJTRBWDKNXWZJF-UHFFFAOYSA-N",{"$nulls":3},3130]
["D11511",4556,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66508","CCOC(=O)C=c1sc(=Cc2ccc(cc2)C(=O)OC)c(=O)n1CC(=O)Nc1ccccc1","InChI=1S/C24H22N2O6S/c1-3-32-22(28)14-21-26(15-20(27)25-18-7-5-4-6-8-18)23(29)19(33-21)13-16-9-11-17(12-10-16)24(30)31-2/h4-14H,3,15H2,1-2H3,(H,25,27)","IXACVZXYYMSNMY-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11512",11920,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43066","CCOC(=O)CC(=O)CSc1nc(cc(-c2ccc(Cl)cc2)c1C#N)-c1ccccc1","InChI=1S/C24H19ClN2O3S/c1-2-30-23(29)12-19(28)15-31-24-21(14-26)20(16-8-10-18(25)11-9-16)13-22(27-24)17-6-4-3-5-7-17/h3-11,13H,2,12,15H2,1H3","MDYYRTUAZYWVPZ-UHFFFAOYSA-N",{"$nulls":3},18700]
["D11513",12250,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87325","CCOC(=O)CC(=O)CSc1nccc(n1)-c1cccnc1","InChI=1S/C15H15N3O3S/c1-2-21-14(20)8-12(19)10-22-15-17-7-5-13(18-15)11-4-3-6-16-9-11/h3-7,9H,2,8,10H2,1H3","PDCVCHAAMZDQSN-UHFFFAOYSA-N",null,13037]
["D11514",4722,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66648","CCOC(=O)CC1=C(C(=O)OCC)C2(C(C#N)C(=N)O1)C(=O)Nc1ccccc21","InChI=1S/C20H19N3O6/c1-3-27-15(24)9-14-16(18(25)28-4-2)20(12(10-21)17(22)29-14)11-7-5-6-8-13(11)23-19(20)26/h5-8,12,22H,3-4,9H2,1-2H3,(H,23,26)","WTAFMJCUQRCVMB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11515",31796,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43593","CCOC(=O)CC1N(CCNC1=O)C(=O)c1cc2c(nc3c(C)cccn3c2=O)s1","InChI=1S/C20H20N4O5S/c1-3-29-15(25)10-13-17(26)21-6-8-23(13)20(28)14-9-12-18(30-14)22-16-11(2)5-4-7-24(16)19(12)27/h4-5,7,9,13H,3,6,8,10H2,1-2H3,(H,21,26)","INXWVCJVINUPKX-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D11516",4382,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM55358","CCOC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(C)CC1","InChI=1S/C18H26N2O5S/c1-3-25-18(22)9-8-17(21)19-15-4-6-16(7-5-15)26(23,24)20-12-10-14(2)11-13-20/h4-7,14H,3,8-13H2,1-2H3,(H,19,21)","MKWPQGARVRCFKR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11517",3820,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM46123","CCOC(=O)CCCCCNC(=O)c1ccc(F)cc1F","InChI=1S/C15H19F2NO3/c1-2-21-14(19)6-4-3-5-9-18-15(20)12-8-7-11(16)10-13(12)17/h7-8,10H,2-6,9H2,1H3,(H,18,20)","LXFJDVSZVWHKHH-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11518",4219,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM62538","CCOC(=O)CCCNS(=O)(=O)c1c(C)ccc2nsnc12","InChI=1S/C13H17N3O4S2/c1-3-20-11(17)5-4-8-14-22(18,19)13-9(2)6-7-10-12(13)16-21-15-10/h6-7,14H,3-5,8H2,1-2H3","SPGNCUNYEIQSPX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11519",31709,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43506","CCOC(=O)CCS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1","InChI=1S/C16H15F3N2O4S/c1-2-25-14(22)8-9-26(23,24)15-20-12(11-6-4-3-5-7-11)10-13(21-15)16(17,18)19/h3-7,10H,2,8-9H2,1H3","KAGZAFKDOSGALN-UHFFFAOYSA-N",null,10160]
["D11520",3991,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66895","CCOC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C","InChI=1S/C16H23NO4/c1-5-20-14(18)12-17(15(19)21-16(2,3)4)11-13-9-7-6-8-10-13/h6-10H,5,11-12H2,1-4H3","SVXBDJYYFFBQTK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11521",3790,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66723","CCOC(=O)CN1C(=O)CC(C1=O)c1ccc(cc1)[N+]([O-])=O","InChI=1S/C14H14N2O6/c1-2-22-13(18)8-15-12(17)7-11(14(15)19)9-3-5-10(6-4-9)16(20)21/h3-6,11H,2,7-8H2,1H3","NMRPOHVKAQYACD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11522",4574,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66525","CCOC(=O)CNC(=O)N1CCCC(CNS(=O)(=O)Cc2ccccc2)C1","InChI=1S/C18H27N3O5S/c1-2-26-17(22)12-19-18(23)21-10-6-9-16(13-21)11-20-27(24,25)14-15-7-4-3-5-8-15/h3-5,7-8,16,20H,2,6,9-14H2,1H3,(H,19,23)","XXVSKSTZNWFNGV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11523",11963,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43096","CCOC(=O)COc1ccc(\\C=C2/NC(=S)N(CC)C2=O)cc1","InChI=1S/C16H18N2O4S/c1-3-18-15(20)13(17-16(18)23)9-11-5-7-12(8-6-11)22-10-14(19)21-4-2/h5-9H,3-4,10H2,1-2H3,(H,17,23)/b13-9-","ALIZMWHXZFYRIE-LCYFTJDESA-N",{"$nulls":3},">79370"]
["D11524",4557,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66509","CCOC(=O)COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(OC)cc1","InChI=1S/C21H26N2O6S/c1-3-28-21(24)16-29-19-8-10-20(11-9-19)30(25,26)23-14-12-22(13-15-23)17-4-6-18(27-2)7-5-17/h4-11H,3,12-16H2,1-2H3","SSJGZMJOTLCVBM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11525",4462,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM63203","CCOC(=O)COc1ccccc1\\C=C/[N+]([O-])=O","InChI=1S/C12H13NO5/c1-2-17-12(14)9-18-11-6-4-3-5-10(11)7-8-13(15)16/h3-8H,2,9H2,1H3/b8-7-","AKHFFHDDAUYJKO-FPLPWBNLSA-N",{"$nulls":3},5855]
["D11526",12043,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43174","CCOC(=O)CS(=O)(=O)c1ccc(O)cc1","InChI=1S/C10H12O5S/c1-2-15-10(12)7-16(13,14)9-5-3-8(11)4-6-9/h3-6,11H,2,7H2,1H3","OXUQFZVZJDLHGC-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11527",4368,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM34183","CCOC(=O)CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1","InChI=1S/C15H13F3N2O4S/c1-2-24-13(21)9-25(22,23)14-19-11(10-6-4-3-5-7-10)8-12(20-14)15(16,17)18/h3-8H,2,9H2,1H3","OKXFPZQLPGPFOM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11528",4642,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM33876","CCOC(=O)CSC1=N\\C(=C\\c2ccc(cc2)-n2cncn2)C(=O)N1C(C)=O","InChI=1S/C18H17N5O4S/c1-3-27-16(25)9-28-18-21-15(17(26)23(18)12(2)24)8-13-4-6-14(7-5-13)22-11-19-10-20-22/h4-8,10-11H,3,9H2,1-2H3/b15-8+","STTFMIKZFVMWJL-OVCLIPMQSA-N",{"$nulls":3},25620]
["D11529",4479,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66450","CCOC(=O)CSCC(=O)N1N=C(CC1c1ccc(F)cc1)c1cccs1","InChI=1S/C19H19FN2O3S2/c1-2-25-19(24)12-26-11-18(23)22-16(13-5-7-14(20)8-6-13)10-15(21-22)17-4-3-9-27-17/h3-9,16H,2,10-12H2,1H3","QKXJTTNMONNDDR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11530",12326,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM72763","CCOC(=O)CSc1cc(nc2ncnn12)-c1ccccc1","InChI=1S/C15H14N4O2S/c1-2-21-14(20)9-22-13-8-12(11-6-4-3-5-7-11)18-15-16-10-17-19(13)15/h3-8,10H,2,9H2,1H3","JPUKSWHUIXAOAF-UHFFFAOYSA-N",null,">35873"]
["D11531",4443,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66353","CCOC(=O)CSc1nnc(Cc2ccc(OC)cc2)n1-c1ccccc1","InChI=1S/C20H21N3O3S/c1-3-26-19(24)14-27-20-22-21-18(23(20)16-7-5-4-6-8-16)13-15-9-11-17(25-2)12-10-15/h4-12H,3,13-14H2,1-2H3","HZZSHPORXCTOGR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11532",3812,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66743","CCOC(=O)C[C@@H]1N(Cc2cccc(c2)C(F)(F)F)S(=O)(=O)c2ccccc12","InChI=1S/C19H18F3NO4S/c1-2-27-18(24)11-16-15-8-3-4-9-17(15)28(25,26)23(16)12-13-6-5-7-14(10-13)19(20,21)22/h3-10,16H,2,11-12H2,1H3/t16-/m0/s1","WDHNKTHBDUBGNE-INIZCTEOSA-N",{"$nulls":3},">350000"]
["D11533",4467,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66438","CCOC(=O)Cc1csc(N=Cc2c(O)n(-c3ccc(C)c(C)c3)c(=O)c3ccccc23)n1","InChI=1S/C25H23N3O4S/c1-4-32-22(29)12-17-14-33-25(27-17)26-13-21-19-7-5-6-8-20(19)23(30)28(24(21)31)18-10-9-15(2)16(3)11-18/h5-11,13-14,31H,4,12H2,1-3H3","JOQRWJPVRRWIHP-UHFFFAOYSA-N",{"$nulls":3},9230]
["D11534",32046,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46341","CCOC(=O)Cc1csc(SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)n1","InChI=1S/C18H24N4O5S2/c1-5-27-13(24)6-11-8-28-17(20-11)29-9-12(23)14-15(19)22(7-10(2)3)18(26)21(4)16(14)25/h8,10H,5-7,9,19H2,1-4H3","ZZXNWSABDOCEFL-UHFFFAOYSA-N",null,">55700"]
["D11535",11958,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43091","CCOC(=O)Cn1c2ccc(cc2s\\c1=N/C(=O)c1sc2ccccc2c1Cl)S(N)(=O)=O","InChI=1S/C20H16ClN3O5S3/c1-2-29-16(25)10-24-13-8-7-11(32(22,27)28)9-15(13)31-20(24)23-19(26)18-17(21)12-5-3-4-6-14(12)30-18/h3-9H,2,10H2,1H3,(H2,22,27,28)/b23-20-","PFUIZHAZQWAOBU-ATJXCDBQSA-N",{"$nulls":3},14280]
["D11536",31716,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43540","CCOC(=O)N1CCN(CC1)C(=O)\\C=C\\c1c(C)nn(c1Cl)-c1ccc(F)cc1","InChI=1S/C20H22ClFN4O3/c1-3-29-20(28)25-12-10-24(11-13-25)18(27)9-8-17-14(2)23-26(19(17)21)16-6-4-15(22)5-7-16/h4-9H,3,10-13H2,1-2H3/b9-8+","KZUOLEDMGFKECT-CMDGGOBGSA-N",null,11420]
["D11537",32113,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43523","CCOC(=O)N1CCN(CC1)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1","InChI=1S/C21H23ClN2O3S/c1-2-27-21(26)24-13-11-23(12-14-24)20(25)17-5-3-16(4-6-17)15-28-19-9-7-18(22)8-10-19/h3-10H,2,11-15H2,1H3","DCCWNYJXGNAWRL-UHFFFAOYSA-N",null,">55700"]
["D11538",31686,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43505","CCOC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-n1c(=S)[nH]c2ccccc2c1=O","InChI=1S/C22H22N4O4S/c1-2-30-22(29)25-13-11-24(12-14-25)19(27)15-7-9-16(10-8-15)26-20(28)17-5-3-4-6-18(17)23-21(26)31/h3-10H,2,11-14H2,1H3,(H,23,31)","TUIVKMJOAKYKTQ-UHFFFAOYSA-N",null,3467]
["D11539",4257,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66257","CCOC(=O)N1CCN(CC1)C(=O)c1ccc2nc(sc2c1)N1CCC(C)CC1","InChI=1S/C21H28N4O3S/c1-3-28-21(27)25-12-10-23(11-13-25)19(26)16-4-5-17-18(14-16)29-20(22-17)24-8-6-15(2)7-9-24/h4-5,14-15H,3,6-13H2,1-2H3","GAXAQCUOYOCDGP-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11540",4534,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM34826","CCOC(=O)N1CCN(Cc2c(O)c3ccccc3c3oc(C)c(C(=O)OCC)c23)CC1","InChI=1S/C24H28N2O6/c1-4-30-23(28)19-15(3)32-22-17-9-7-6-8-16(17)21(27)18(20(19)22)14-25-10-12-26(13-11-25)24(29)31-5-2/h6-9,27H,4-5,10-14H2,1-3H3","ATHDXGIEWLVIJY-UHFFFAOYSA-N",{"$nulls":3},8156]
["D11541",4037,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66938","CCOC(=O)N1N(C(=O)OCC)[C@](C(C)C)(C1=O)c1ccc(Cl)cc1","InChI=1S/C17H21ClN2O5/c1-5-24-15(22)19-14(21)17(11(3)4,20(19)16(23)25-6-2)12-7-9-13(18)10-8-12/h7-11H,5-6H2,1-4H3/t17-/m0/s1","DCJJAVZZIGQNSD-KRWDZBQOSA-N",{"$nulls":3},40220]
["D11542",17249,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153743","CCOC(=O)N=S(C)(=O)c1ccc2Nc3ncc(Br)c(NCCCCNc1c2)n3","InChI=1S/C18H23BrN6O3S/c1-3-28-18(26)25-29(2,27)15-7-6-12-10-14(15)20-8-4-5-9-21-16-13(19)11-22-17(23-12)24-16/h6-7,10-11,20H,3-5,8-9H2,1-2H3,(H2,21,22,23,24)","NCGXCAXJTGUXBR-UHFFFAOYSA-N",null,">2.2e+3"]
["D11543",32019,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67127","CCOC(=O)Nc1ccc2c(CSc3nc4ccccc4c(=O)[nH]3)cc(=O)oc2c1","InChI=1S/C21H17N3O5S/c1-2-28-21(27)22-13-7-8-14-12(9-18(25)29-17(14)10-13)11-30-20-23-16-6-4-3-5-15(16)19(26)24-20/h3-10H,2,11H2,1H3,(H,22,27)(H,23,24,26)","VNVWQHULXBSNJP-UHFFFAOYSA-N",null,">55690"]
["D11544",3753,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM50308501","CCOC(=O)Nc1nc(c(s1)C(=O)c1ccccc1)-c1ccccc1","InChI=1S/C19H16N2O3S/c1-2-24-19(23)21-18-20-15(13-9-5-3-6-10-13)17(25-18)16(22)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,20,21,23)","VMTZCTQCFMWSEO-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11545",3929,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66844","CCOC(=O)[C@@H]1[C@H]2COc3ccc(Br)cc3[C@H]2N2C(=O)N(C(=O)[C@@]12C)c1ccc(Cl)cc1","InChI=1S/C23H20BrClN2O5/c1-3-31-20(28)18-16-11-32-17-9-4-12(24)10-15(17)19(16)27-22(30)26(21(29)23(18,27)2)14-7-5-13(25)6-8-14/h4-10,16,18-19H,3,11H2,1-2H3/t16-,18+,19-,23-/m1/s1","IKKDKEBIRMANSH-YCMMZOLNSA-N",{"$nulls":3},">350000"]
["D11546",4084,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66975","CCOC(=O)[C@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)c3ccc(C)cc3NC(=O)[C@@]12C","InChI=1S/C25H26N2O6/c1-5-32-23(29)20-17-12-33-19-11-14(31-4)7-9-16(19)21(17)27-22(28)15-8-6-13(2)10-18(15)26-24(30)25(20,27)3/h6-11,17,20-21H,5,12H2,1-4H3,(H,26,30)/t17-,20-,21+,25-/m1/s1","SYVYOPSWDAARBQ-CCIIEHSASA-N",{"$nulls":3},">350000"]
["D11547",4148,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67034","CCOC(=O)[C@H]1[C@H]2COc3ccc(OC)cc3[C@@H]2N2C(=O)CN(CC3CCCO3)C(=O)[C@@]12C","InChI=1S/C24H30N2O7/c1-4-31-22(28)20-17-13-33-18-8-7-14(30-3)10-16(18)21(17)26-19(27)12-25(23(29)24(20,26)2)11-15-6-5-9-32-15/h7-8,10,15,17,20-21H,4-6,9,11-13H2,1-3H3/t15?,17-,20-,21+,24-/m1/s1","GHPJFHVSFNKMSR-XPVZPIEVSA-N",{"$nulls":3},">350000"]
["D11548",4483,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66453","CCOC(=O)c1[nH]c2ccccc2c1NC(=S)Nc1cc(C)ccc1C","InChI=1S/C20H21N3O2S/c1-4-25-19(24)18-17(14-7-5-6-8-15(14)21-18)23-20(26)22-16-11-12(2)9-10-13(16)3/h5-11,21H,4H2,1-3H3,(H2,22,23,26)","UJSVRVVEAOOZFQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11549",12394,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42918","CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)CNC(=O)C2CCCCC2)c1C","InChI=1S/C20H28N2O6/c1-4-27-20(26)17-12(2)18(22-13(17)3)15(23)11-28-16(24)10-21-19(25)14-8-6-5-7-9-14/h14,22H,4-11H2,1-3H3,(H,21,25)","FLINXCJGKNURNZ-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11550",4513,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66474","CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nc2ccccc2n1CCOC","InChI=1S/C21H25N3O4S/c1-5-28-20(26)19-14(3)22-13(2)18(19)17(25)12-29-21-23-15-8-6-7-9-16(15)24(21)10-11-27-4/h6-9,22H,5,10-12H2,1-4H3","LDBFDCQMIDRGJY-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11551",12366,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42898","CCOC(=O)c1c(C)c(sc1NC(=O)CSc1nc(C)cc(C)c1C#N)C(C)=O","InChI=1S/C20H21N3O4S2/c1-6-27-20(26)16-12(4)17(13(5)24)29-19(16)23-15(25)9-28-18-14(8-21)10(2)7-11(3)22-18/h7H,6,9H2,1-5H3,(H,23,25)","YCGBFDVDPYKINI-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11552",12354,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42887","CCOC(=O)c1c(C)c(sc1NC(=O)CSc1nnc(CNc2ccc(F)cc2)o1)C(C)=O","InChI=1S/C21H21FN4O5S2/c1-4-30-20(29)17-11(2)18(12(3)27)33-19(17)24-15(28)10-32-21-26-25-16(31-21)9-23-14-7-5-13(22)6-8-14/h5-8,23H,4,9-10H2,1-3H3,(H,24,28)","WWRRPUMXBGAADB-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11553",11832,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42985","CCOC(=O)c1c(C)c(sc1NC(=O)Cc1cccs1)C(=O)NC1CCCC1","InChI=1S/C20H24N2O4S2/c1-3-26-20(25)16-12(2)17(18(24)21-13-7-4-5-8-13)28-19(16)22-15(23)11-14-9-6-10-27-14/h6,9-10,13H,3-5,7-8,11H2,1-2H3,(H,21,24)(H,22,23)","MKPNQSWRHDQJSM-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11554",3747,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66366","CCOC(=O)c1c(C)nc2sc(C(=O)Nc3ccc(cc3)C(C)=O)c(N)c2c1-c1ccc(OC)cc1","InChI=1S/C27H25N3O5S/c1-5-35-27(33)20-14(2)29-26-22(21(20)17-8-12-19(34-4)13-9-17)23(28)24(36-26)25(32)30-18-10-6-16(7-11-18)15(3)31/h6-13H,5,28H2,1-4H3,(H,30,32)","RPTNUXIJGQRVEJ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11555",31849,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43514","CCOC(=O)c1c(C)nc2sc3c(nnn(-c4ccc(OC)cc4)c3=O)c2c1-c1ccc(OC)cc1","InChI=1S/C26H22N4O5S/c1-5-35-26(32)19-14(2)27-24-21(20(19)15-6-10-17(33-3)11-7-15)22-23(36-24)25(31)30(29-28-22)16-8-12-18(34-4)13-9-16/h6-13H,5H2,1-4H3","LNVREEXYXVGXSQ-UHFFFAOYSA-N",null,26580]
["D11556",12218,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM4393","CCOC(=O)c1c(NC(=O)C(C)N2CCN(CC2)C(=O)c2ccco2)sc2CCCCc12","InChI=1S/C23H29N3O5S/c1-3-30-23(29)19-16-7-4-5-9-18(16)32-21(19)24-20(27)15(2)25-10-12-26(13-11-25)22(28)17-8-6-14-31-17/h6,8,14-15H,3-5,7,9-13H2,1-2H3,(H,24,27)","ZTFXMCSBNIZBTN-UHFFFAOYSA-N",null,9886]
["D11557",11950,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43083","CCOC(=O)c1c(NC(=O)C(C)Sc2cn(C)c3ccccc23)sc2CCCc12","InChI=1S/C22H24N2O3S2/c1-4-27-22(26)19-15-9-7-11-17(15)29-21(19)23-20(25)13(2)28-18-12-24(3)16-10-6-5-8-14(16)18/h5-6,8,10,12-13H,4,7,9,11H2,1-3H3,(H,23,25)","MOPWGVGTACZIBN-UHFFFAOYSA-N",{"$nulls":3},32270]
["D11558",4587,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66537","CCOC(=O)c1c(NC(=O)C2C3CC(C=C3)C2C(O)=O)sc2CCCCc12","InChI=1S/C20H23NO5S/c1-2-26-20(25)16-12-5-3-4-6-13(12)27-18(16)21-17(22)14-10-7-8-11(9-10)15(14)19(23)24/h7-8,10-11,14-15H,2-6,9H2,1H3,(H,21,22)(H,23,24)","RREYRSQFRXAEIL-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11559",4287,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM34724","CCOC(=O)c1c2ccc(OCC(=O)NN=Cc3ccc(C)cc3)cc2n2ccccc12","InChI=1S/C25H23N3O4/c1-3-31-25(30)24-20-12-11-19(14-22(20)28-13-5-4-6-21(24)28)32-16-23(29)27-26-15-18-9-7-17(2)8-10-18/h4-15H,3,16H2,1-2H3,(H,27,29)","ULGZIELJJFJICI-UHFFFAOYSA-N",{"$nulls":3},41530]
["D11560",4316,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66414","CCOC(=O)c1cc(CC)sc1NC(=O)C1CC(=O)NN1Cc1ccccc1","InChI=1S/C20H23N3O4S/c1-3-14-10-15(20(26)27-4-2)19(28-14)21-18(25)16-11-17(24)22-23(16)12-13-8-6-5-7-9-13/h5-10,16H,3-4,11-12H2,1-2H3,(H,21,25)(H,22,24)","IGMOUVMIKURCBR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11561",4736,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66660","CCOC(=O)c1cc(on1)C(C)=NOC(=O)c1ccc(cc1)C(C)(C)C","InChI=1S/C19H22N2O5/c1-6-24-18(23)15-11-16(25-21-15)12(2)20-26-17(22)13-7-9-14(10-8-13)19(3,4)5/h7-11H,6H2,1-5H3","VLPNMQCUFSPHPK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11562",16711,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357906","CCOC(=O)c1cc2c(nc1N)oc1cc(Br)ccc1c2=O","InChI=1S/C15H11BrN2O4/c1-2-21-15(20)10-6-9-12(19)8-4-3-7(16)5-11(8)22-14(9)18-13(10)17/h3-6H,2H2,1H3,(H2,17,18)","XAKZOSLCMOSJSN-UHFFFAOYSA-N",null,520]
["D11563",17246,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357912","CCOC(=O)c1cc2c(nc1N)oc1cc(F)c(cc1c2=O)C(C)=C","InChI=1S/C18H15FN2O4/c1-4-24-18(23)12-6-11-15(22)10-5-9(8(2)3)13(19)7-14(10)25-17(11)21-16(12)20/h5-7H,2,4H2,1,3H3,(H2,20,21)","UZVAQQIDIWCAFV-UHFFFAOYSA-N",null,2160]
["D11564",18088,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357882","CCOC(=O)c1cc2c(nc1N)oc1ccc(CCC(C)(C)C)cc1c2=O","InChI=1S/C21H24N2O4/c1-5-26-20(25)15-11-14-17(24)13-10-12(8-9-21(2,3)4)6-7-16(13)27-19(14)23-18(15)22/h6-7,10-11H,5,8-9H2,1-4H3,(H2,22,23)","SYBPHNUSIHPYBQ-UHFFFAOYSA-N",null,41500]
["D11565",18146,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357920","CCOC(=O)c1cc2c(nc1N)oc1ccc(cc1c2=O)C(C)C","InChI=1S/C18H18N2O4/c1-4-23-18(22)13-8-12-15(21)11-7-10(9(2)3)5-6-14(11)24-17(12)20-16(13)19/h5-9H,4H2,1-3H3,(H2,19,20)","PFDJAEKKGJFCNL-UHFFFAOYSA-N",null,123000]
["D11566",17019,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357888","CCOC(=O)c1cc2c(nc1N)oc1ccc(cc1c2=O)C1CCC(C)(C)CC1","InChI=1S/C23H26N2O4/c1-4-28-22(27)17-12-16-19(26)15-11-14(13-7-9-23(2,3)10-8-13)5-6-18(15)29-21(16)25-20(17)24/h5-6,11-13H,4,7-10H2,1-3H3,(H2,24,25)","KTTODFSEPLHVDR-UHFFFAOYSA-N",null,1410]
["D11567",12093,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87254","CCOC(=O)c1cc2sccc2n1CC(=O)N1CCc2ccccc12","InChI=1S/C19H18N2O3S/c1-2-24-19(23)16-11-17-15(8-10-25-17)21(16)12-18(22)20-9-7-13-5-3-4-6-14(13)20/h3-6,8,10-11H,2,7,9,12H2,1H3","SXZKAUXPVCKOSL-UHFFFAOYSA-N",null,">3989"]
["D11568",12391,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42915","CCOC(=O)c1ccc(NC(=O)CCc2nc(no2)-c2ccc(C)cc2)cc1","InChI=1S/C21H21N3O4/c1-3-27-21(26)16-8-10-17(11-9-16)22-18(25)12-13-19-23-20(24-28-19)15-6-4-14(2)5-7-15/h4-11H,3,12-13H2,1-2H3,(H,22,25)","SYVSBLUQSDSWKQ-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11569",32059,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46350","CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1","InChI=1S/C21H24N2O4/c1-2-27-21(25)18-7-9-19(10-8-18)22-20(24)17-5-3-16(4-6-17)15-23-11-13-26-14-12-23/h3-10H,2,11-15H2,1H3,(H,22,24)","HVXPCGOHBRRLOW-UHFFFAOYSA-N",null,">55700"]
["D11570",4673,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66613","CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3N(CCCc3c2)C(C)=O)cc1","InChI=1S/C20H22N2O5S/c1-3-27-20(24)15-6-8-17(9-7-15)21-28(25,26)18-10-11-19-16(13-18)5-4-12-22(19)14(2)23/h6-11,13,21H,3-5,12H2,1-2H3","IPYFRVYXPVUONP-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11571",4320,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM55537","CCOC(=O)c1ccc(cc1)-c1ccc(C=NNC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)o1","InChI=1S/C24H25N3O6S/c1-4-32-24(29)19-10-8-18(9-11-19)22-13-12-21(33-22)15-25-26-23(28)16-27(34(3,30)31)20-7-5-6-17(2)14-20/h5-15H,4,16H2,1-3H3,(H,26,28)","DLNFRRJZTVZNMI-UHFFFAOYSA-N",{"$nulls":3},24000]
["D11572",32003,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67110","CCOC(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1","InChI=1S/C28H30ClN3O6S/c1-3-38-28(34)21-9-12-23(13-10-21)39(35,36)32-17-15-31(16-18-32)26(20-7-5-4-6-8-20)27(33)30-22-11-14-25(37-2)24(29)19-22/h4-14,19,26H,3,15-18H2,1-2H3,(H,30,33)","YHXYLPFSFVNEMK-UHFFFAOYSA-N",null,">55690"]
["D11573",4928,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553642","CCOC(=O)c1ccc2c(OC)cccc2c1N1CCN(CC1)c1ccccc1OC","InChI=1S/C25H28N2O4/c1-4-31-25(28)20-13-12-18-19(8-7-11-22(18)29-2)24(20)27-16-14-26(15-17-27)21-9-5-6-10-23(21)30-3/h5-13H,4,14-17H2,1-3H3","OBBMLXALNQRFEC-UHFFFAOYSA-N",null,">30000"]
["D11574",4259,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66259","CCOC(=O)c1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)noc2C)c1","InChI=1S/C23H25N3O6S/c1-5-31-23(28)18-7-6-8-19(13-18)24-21(27)14-26(20-11-9-15(2)10-12-20)33(29,30)22-16(3)25-32-17(22)4/h6-13H,5,14H2,1-4H3,(H,24,27)","NBTSLFIAGZFQJI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11575",14823,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278158","CCOC(=O)c1cccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@H](C)O)c(c2)C#N)c1","InChI=1S/C27H27FN6O5/c1-3-38-26(37)18-5-4-6-20(12-18)32-27-31-15-30-24(33-27)17-7-8-22(19(11-17)13-29)39-23-9-10-34(14-21(23)28)25(36)16(2)35/h4-8,11-12,15-16,21,23,35H,3,9-10,14H2,1-2H3,(H,30,31,32,33)/t16-,21+,23-/m0/s1","KLRNJRXQJGPXMS-YTJPUZGESA-N",null,6]
["D11576",12078,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM3993","CCOC(=O)c1cccc2C(N=O)c3ccccc3-c12","InChI=1S/C16H13NO3/c1-2-20-16(18)13-9-5-8-12-14(13)10-6-3-4-7-11(10)15(12)17-19/h3-9,15H,2H2,1H3","MJNHOAHIKLTUHL-UHFFFAOYSA-N",null,3729]
["D11577",11945,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43078","CCOC(=O)c1ccccc1NC(=O)c1cn(-c2ccc(C)c(C)c2)c(=O)c2ccccc12","InChI=1S/C27H24N2O4/c1-4-33-27(32)22-11-7-8-12-24(22)28-25(30)23-16-29(19-14-13-17(2)18(3)15-19)26(31)21-10-6-5-9-20(21)23/h5-16H,4H2,1-3H3,(H,28,30)","USPUTIOMFBMOOY-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11578",12446,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42960","CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1N1CCOCC1","InChI=1S/C17H19ClN2O3/c1-3-23-17(21)13-10-19-15-11(2)14(18)5-4-12(15)16(13)20-6-8-22-9-7-20/h4-5,10H,3,6-9H2,1-2H3","HCNSFKPLOYHZDC-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11579",4846,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553645","CCOC(=O)c1cnc2c(OC)cc(OC)cc2c1-c1ccc(nc1)-c1ccccc1OC","InChI=1S/C26H24N2O5/c1-5-33-26(29)20-15-28-25-19(12-17(30-2)13-23(25)32-4)24(20)16-10-11-21(27-14-16)18-8-6-7-9-22(18)31-3/h6-15H,5H2,1-4H3","WQNGTKHMDAQNEN-UHFFFAOYSA-N",null,880]
["D11580",4845,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553646","CCOC(=O)c1cnc2c(OC)cc(OC)cc2c1-c1ccc(nc1)-c1ccccc1OCC","InChI=1S/C27H26N2O5/c1-5-33-23-10-8-7-9-19(23)22-12-11-17(15-28-22)25-20-13-18(31-3)14-24(32-4)26(20)29-16-21(25)27(30)34-6-2/h7-16H,5-6H2,1-4H3","HAPOCLJQCMSMIQ-UHFFFAOYSA-N",null,810]
["D11581",4831,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553644","CCOC(=O)c1cnc2c(OC)cc(OC)cc2c1N1CCN(CC1)c1ccccc1OC","InChI=1S/C25H29N3O5/c1-5-33-25(29)19-16-26-23-18(14-17(30-2)15-22(23)32-4)24(19)28-12-10-27(11-13-28)20-8-6-7-9-21(20)31-3/h6-9,14-16H,5,10-13H2,1-4H3","UEFYILRBDOWLPK-UHFFFAOYSA-N",null,670]
["D11582",4875,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553637","CCOC(=O)c1cnc2c(OC)cccc2c1-c1cc(F)c(nc1OC)-c1ccccc1OC","InChI=1S/C26H23FN2O5/c1-5-34-26(30)18-14-28-24-16(10-8-12-21(24)32-3)22(18)17-13-19(27)23(29-25(17)33-4)15-9-6-7-11-20(15)31-2/h6-14H,5H2,1-4H3","BMMDSLWGWCCZAE-UHFFFAOYSA-N",null,2100]
["D11583",4884,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553628","CCOC(=O)c1cnc2c(OC)cccc2c1-c1ccc(cc1)-c1ccccc1OC","InChI=1S/C26H23NO4/c1-4-31-26(28)21-16-27-25-20(9-7-11-23(25)30-3)24(21)18-14-12-17(13-15-18)19-8-5-6-10-22(19)29-2/h5-16H,4H2,1-3H3","SKFXFTFTNXXXBI-UHFFFAOYSA-N",null,2900]
["D11584",4882,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553629","CCOC(=O)c1cnc2c(OC)cccc2c1-c1ccc(cn1)-c1ccccc1OC","InChI=1S/C25H22N2O4/c1-4-31-25(28)19-15-27-24-18(9-7-11-22(24)30-3)23(19)20-13-12-16(14-26-20)17-8-5-6-10-21(17)29-2/h5-15H,4H2,1-3H3","LWUNSMZFIDCFLH-UHFFFAOYSA-N",null,2800]
["D11585",4828,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553630","CCOC(=O)c1cnc2c(OC)cccc2c1-c1ccc(nc1)-c1ccccc1OC","InChI=1S/C25H22N2O4/c1-4-31-25(28)19-15-27-24-18(9-7-11-22(24)30-3)23(19)16-12-13-20(26-14-16)17-8-5-6-10-21(17)29-2/h5-15H,4H2,1-3H3","HXVCLIPWAMYCGK-UHFFFAOYSA-N",null,600]
["D11586",4866,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553633","CCOC(=O)c1cnc2c(OC)cccc2c1-c1ccc(nc1)-c1ccccc1OC(C)C","InChI=1S/C27H26N2O4/c1-5-32-27(30)21-16-29-26-20(10-8-12-24(26)31-4)25(21)18-13-14-22(28-15-18)19-9-6-7-11-23(19)33-17(2)3/h6-17H,5H2,1-4H3","SSNSIKFDQUMGRC-UHFFFAOYSA-N",null,1500]
["D11587",4820,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553631","CCOC(=O)c1cnc2c(OC)cccc2c1-c1ccc(nc1)-c1ccccc1OCC","InChI=1S/C26H24N2O4/c1-4-31-22-11-7-6-9-18(22)21-14-13-17(15-27-21)24-19-10-8-12-23(30-3)25(19)28-16-20(24)26(29)32-5-2/h6-16H,4-5H2,1-3H3","GZWOHDDCPMXISP-UHFFFAOYSA-N",null,370]
["D11588",4821,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553632","CCOC(=O)c1cnc2c(OC)cccc2c1-c1ccc(nc1)-c1ccccc1SC","InChI=1S/C25H22N2O3S/c1-4-30-25(28)19-15-27-24-18(9-7-10-21(24)29-2)23(19)16-12-13-20(26-14-16)17-8-5-6-11-22(17)31-3/h5-15H,4H2,1-3H3","RTYROYLWNSXRBA-UHFFFAOYSA-N",null,410]
["D11589",4853,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553638","CCOC(=O)c1cnc2c(OC)cccc2c1-c1ccn(Cc2ccccc2OC)c1","InChI=1S/C25H24N2O4/c1-4-31-25(28)20-14-26-24-19(9-7-11-22(24)30-3)23(20)18-12-13-27(16-18)15-17-8-5-6-10-21(17)29-2/h5-14,16H,4,15H2,1-3H3","YWKOLGJPHIBRNO-UHFFFAOYSA-N",null,1200]
["D11590",4818,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553636","CCOC(=O)c1cnc2c(OC)cccc2c1-c1cnc(c(OC)c1)-c1ccccc1OC","InChI=1S/C26H24N2O5/c1-5-33-26(29)19-15-28-25-18(10-8-12-21(25)31-3)23(19)16-13-22(32-4)24(27-14-16)17-9-6-7-11-20(17)30-2/h6-15H,5H2,1-4H3","OPVAGVCSHQRFGD-UHFFFAOYSA-N",null,350]
["D11591",4825,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553635","CCOC(=O)c1cnc2c(OC)cccc2c1-c1cnc(cn1)-c1ccccc1OC","InChI=1S/C24H21N3O4/c1-4-31-24(28)17-12-27-23-16(9-7-11-21(23)30-3)22(17)19-14-25-18(13-26-19)15-8-5-6-10-20(15)29-2/h5-14H,4H2,1-3H3","HVBLHRXDOYFIAZ-UHFFFAOYSA-N",null,540]
["D11592",4880,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553634","CCOC(=O)c1cnc2c(OC)cccc2c1-c1cnc(nc1)-c1ccccc1OC","InChI=1S/C24H21N3O4/c1-4-31-24(28)18-14-25-22-17(9-7-11-20(22)30-3)21(18)15-12-26-23(27-13-15)16-8-5-6-10-19(16)29-2/h5-14H,4H2,1-3H3","LRTBXTLEOHQWHX-UHFFFAOYSA-N",null,2400]
["D11593",4889,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553623","CCOC(=O)c1cnc2c(OC)cccc2c1C1=CCN(CC1)c1ccccc1OC","InChI=1S/C25H26N2O4/c1-4-31-25(28)19-16-26-24-18(8-7-11-22(24)30-3)23(19)17-12-14-27(15-13-17)20-9-5-6-10-21(20)29-2/h5-12,16H,4,13-15H2,1-3H3","XHZJTDVZLGYQEZ-UHFFFAOYSA-N",null,3600]
["D11594",4920,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553624","CCOC(=O)c1cnc2c(OC)cccc2c1C1C2CC1CN(C2)c1ccccc1OC","InChI=1S/C26H28N2O4/c1-4-32-26(29)19-13-27-25-18(8-7-11-22(25)31-3)24(19)23-16-12-17(23)15-28(14-16)20-9-5-6-10-21(20)30-2/h5-11,13,16-17,23H,4,12,14-15H2,1-3H3","RUMCAARUNCGKLM-UHFFFAOYSA-N",null,">30000"]
["D11595",4908,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553625","CCOC(=O)c1cnc2c(OC)cccc2c1C1CC2CC(C1)N2c1ccccc1OC","InChI=1S/C26H28N2O4/c1-4-32-26(29)20-15-27-25-19(8-7-11-23(25)31-3)24(20)16-12-17-14-18(13-16)28(17)21-9-5-6-10-22(21)30-2/h5-11,15-18H,4,12-14H2,1-3H3","KOJJJUABEXCEIC-UHFFFAOYSA-N",null,">10000"]
["D11596",4913,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553622","CCOC(=O)c1cnc2c(OC)cccc2c1C1CCN(CC1)c1ccccc1OC","InChI=1S/C25H28N2O4/c1-4-31-25(28)19-16-26-24-18(8-7-11-22(24)30-3)23(19)17-12-14-27(15-13-17)20-9-5-6-10-21(20)29-2/h5-11,16-17H,4,12-15H2,1-3H3","HRWISCCWRCGCOU-UHFFFAOYSA-N",null,">10000"]
["D11597",4893,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553621","CCOC(=O)c1cnc2c(OC)cccc2c1N(C)CCN(C)c1ccccc1OC","InChI=1S/C24H29N3O4/c1-6-31-24(28)18-16-25-22-17(10-9-13-21(22)30-5)23(18)27(3)15-14-26(2)19-11-7-8-12-20(19)29-4/h7-13,16H,6,14-15H2,1-5H3","XJKBFLDXMGKJGY-UHFFFAOYSA-N",null,4400]
["D11598",4919,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553627","CCOC(=O)c1cnc2c(OC)cccc2c1N1CC2(CN(C2)c2ccccc2OC)C1","InChI=1S/C25H27N3O4/c1-4-32-24(29)18-12-26-22-17(8-7-11-21(22)31-3)23(18)28-15-25(16-28)13-27(14-25)19-9-5-6-10-20(19)30-2/h5-12H,4,13-16H2,1-3H3","ROCKWKXOVASNPF-UHFFFAOYSA-N",null,">30000"]
["D11599",4909,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553626","CCOC(=O)c1cnc2c(OC)cccc2c1N1CC2CN(CC2C1)c1ccccc1OC","InChI=1S/C26H29N3O4/c1-4-33-26(30)20-12-27-24-19(8-7-11-23(24)32-3)25(20)29-15-17-13-28(14-18(17)16-29)21-9-5-6-10-22(21)31-2/h5-12,17-18H,4,13-16H2,1-3H3","INUOZKCRPNXJBR-UHFFFAOYSA-N",null,">10000"]
["D11600",4855,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553619","CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(C(C)C1)c1ccccc1OC","InChI=1S/C25H29N3O4/c1-5-32-25(29)19-15-26-23-18(9-8-12-22(23)31-4)24(19)27-13-14-28(17(2)16-27)20-10-6-7-11-21(20)30-3/h6-12,15,17H,5,13-14,16H2,1-4H3","MRXJEJZQICXGFB-UHFFFAOYSA-N",null,1300]
["D11601",4844,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553612","CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1c(OC)cccc1OC","InChI=1S/C25H29N3O5/c1-5-33-25(29)18-16-26-22-17(8-6-9-19(22)30-2)23(18)27-12-14-28(15-13-27)24-20(31-3)10-7-11-21(24)32-4/h6-11,16H,5,12-15H2,1-4H3","KQOUZLPXTJGDIS-UHFFFAOYSA-N",null,800]
["D11602",4876,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553613","CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1cc(F)ccc1OC","InChI=1S/C24H26FN3O4/c1-4-32-24(29)18-15-26-22-17(6-5-7-21(22)31-3)23(18)28-12-10-27(11-13-28)19-14-16(25)8-9-20(19)30-2/h5-9,14-15H,4,10-13H2,1-3H3","PECDKZDWQPEKMW-UHFFFAOYSA-N",null,2100]
["D11603",4872,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553611","CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccc(OC)cc1OC","InChI=1S/C25H29N3O5/c1-5-33-25(29)19-16-26-23-18(7-6-8-21(23)31-3)24(19)28-13-11-27(12-14-28)20-10-9-17(30-2)15-22(20)32-4/h6-10,15-16H,5,11-14H2,1-4H3","KQKYNNACYUZHGO-UHFFFAOYSA-N",null,1900]
["D11604",4906,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553608","CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccccc1C","InChI=1S/C24H27N3O3/c1-4-30-24(28)19-16-25-22-18(9-7-11-21(22)29-3)23(19)27-14-12-26(13-15-27)20-10-6-5-8-17(20)2/h5-11,16H,4,12-15H2,1-3H3","PFULRXSHHBVYJO-UHFFFAOYSA-N",null,">10000"]
["D11605",4891,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553609","CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccccc1C#N","InChI=1S/C24H24N4O3/c1-3-31-24(29)19-16-26-22-18(8-6-10-21(22)30-2)23(19)28-13-11-27(12-14-28)20-9-5-4-7-17(20)15-25/h4-10,16H,3,11-14H2,1-2H3","VFZWYABDVRRLAO-UHFFFAOYSA-N",null,4200]
["D11606",4924,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553607","CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccccc1Cl","InChI=1S/C23H24ClN3O3/c1-3-30-23(28)17-15-25-21-16(7-6-10-20(21)29-2)22(17)27-13-11-26(12-14-27)19-9-5-4-8-18(19)24/h4-10,15H,3,11-14H2,1-2H3","ZVJYFNSODWFUDK-UHFFFAOYSA-N",null,">30000"]
["D11607",4902,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50547329","CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccccc1F","InChI=1S/C23H24FN3O3/c1-3-30-23(28)17-15-25-21-16(7-6-10-20(21)29-2)22(17)27-13-11-26(12-14-27)19-9-5-4-8-18(19)24/h4-10,15H,3,11-14H2,1-2H3","FGIYNSOZTOFNTM-UHFFFAOYSA-N",null,6100]
["D11608",4829,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553603","CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccccc1OC","InChI=1S/C24H27N3O4/c1-4-31-24(28)18-16-25-22-17(8-7-11-21(22)30-3)23(18)27-14-12-26(13-15-27)19-9-5-6-10-20(19)29-2/h5-11,16H,4,12-15H2,1-3H3","QVUADLCPMUWKHH-UHFFFAOYSA-N",null,647]
["D11609",4878,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553605","CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccccc1OC(C)C","InChI=1S/C26H31N3O4/c1-5-32-26(30)20-17-27-24-19(9-8-12-23(24)31-4)25(20)29-15-13-28(14-16-29)21-10-6-7-11-22(21)33-18(2)3/h6-12,17-18H,5,13-16H2,1-4H3","HAVAKPPMNZJDSY-UHFFFAOYSA-N",null,2300]
["D11610",4925,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553606","CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccccc1OC(F)(F)F","InChI=1S/C24H24F3N3O4/c1-3-33-23(31)17-15-28-21-16(7-6-10-20(21)32-2)22(17)30-13-11-29(12-14-30)18-8-4-5-9-19(18)34-24(25,26)27/h4-10,15H,3,11-14H2,1-2H3","ZPTDVPXWVUZVAA-UHFFFAOYSA-N",null,">30000"]
["D11611",4896,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553604","CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccccc1OCC","InChI=1S/C25H29N3O4/c1-4-31-21-11-7-6-10-20(21)27-13-15-28(16-14-27)24-18-9-8-12-22(30-3)23(18)26-17-19(24)25(29)32-5-2/h6-12,17H,4-5,13-16H2,1-3H3","XJPXJYQLDMITMD-UHFFFAOYSA-N",null,5100]
["D11612",4822,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553610","CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccccc1SC","InChI=1S/C24H27N3O3S/c1-4-30-24(28)18-16-25-22-17(8-7-10-20(22)29-2)23(18)27-14-12-26(13-15-27)19-9-5-6-11-21(19)31-3/h5-11,16H,4,12-15H2,1-3H3","NSZXZUKVHXESDP-UHFFFAOYSA-N",null,510]
["D11613",4867,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553614","CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1cccnc1OC","InChI=1S/C23H26N4O4/c1-4-31-23(28)17-15-25-20-16(7-5-9-19(20)29-2)21(17)27-13-11-26(12-14-27)18-8-6-10-24-22(18)30-3/h5-10,15H,4,11-14H2,1-3H3","WORWGXFYNYYZQL-UHFFFAOYSA-N",null,1500]
["D11614",4921,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553618","CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1cccs1","InChI=1S/C21H23N3O3S/c1-3-27-21(25)16-14-22-19-15(6-4-7-17(19)26-2)20(16)24-11-9-23(10-12-24)18-8-5-13-28-18/h4-8,13-14H,3,9-12H2,1-2H3","SSFFNSVEKOVIHB-UHFFFAOYSA-N",null,">30000"]
["D11615",4929,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553617","CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccnn1C","InChI=1S/C21H25N5O3/c1-4-29-21(27)16-14-22-19-15(6-5-7-17(19)28-3)20(16)26-12-10-25(11-13-26)18-8-9-23-24(18)2/h5-9,14H,4,10-13H2,1-3H3","NAWHQBYEIDCABP-UHFFFAOYSA-N",null,">30000"]
["D11616",4923,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553616","CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1cncs1","InChI=1S/C20H22N4O3S/c1-3-27-20(25)15-11-22-18-14(5-4-6-16(18)26-2)19(15)24-9-7-23(8-10-24)17-12-21-13-28-17/h4-6,11-13H,3,7-10H2,1-2H3","BXJOJKVVELOMMA-UHFFFAOYSA-N",null,">30000"]
["D11617",4885,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553615","CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1nccnc1OC","InChI=1S/C22H25N5O4/c1-4-31-22(28)16-14-25-18-15(6-5-7-17(18)29-2)19(16)26-10-12-27(13-11-26)20-21(30-3)24-9-8-23-20/h5-9,14H,4,10-13H2,1-3H3","JJWGQRKGTSJHOH-UHFFFAOYSA-N",null,3000]
["D11618",4865,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553620","CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1C)c1ccccc1OC","InChI=1S/C25H29N3O4/c1-5-32-25(29)19-15-26-23-18(9-8-12-22(23)31-4)24(19)28-14-13-27(16-17(28)2)20-10-6-7-11-21(20)30-3/h6-12,15,17H,5,13-14,16H2,1-4H3","ZILVBHNKCQIDCA-UHFFFAOYSA-N",null,1500]
["D11619",4927,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553643","CCOC(=O)c1cnc2ccccc2c1N1CCN(CC1)c1ccccc1OC","InChI=1S/C23H25N3O3/c1-3-29-23(27)18-16-24-19-9-5-4-8-17(19)22(18)26-14-12-25(13-15-26)20-10-6-7-11-21(20)28-2/h4-11,16H,3,12-15H2,1-2H3","HWSYVEWTRYCHFS-UHFFFAOYSA-N",null,">30000"]
["D11620",4894,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553640","CCOC(=O)c1cnc2ccsc2c1N1CCN(CC1)c1ccccc1OC","InChI=1S/C21H23N3O3S/c1-3-27-21(25)15-14-22-16-8-13-28-20(16)19(15)24-11-9-23(10-12-24)17-6-4-5-7-18(17)26-2/h4-8,13-14H,3,9-12H2,1-2H3","GSEUXAKOLZSFPR-UHFFFAOYSA-N",null,4500]
["D11621",4895,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553641","CCOC(=O)c1cnc2sccc2c1N1CCN(CC1)c1ccccc1OC","InChI=1S/C21H23N3O3S/c1-3-27-21(25)16-14-22-20-15(8-13-28-20)19(16)24-11-9-23(10-12-24)17-6-4-5-7-18(17)26-2/h4-8,13-14H,3,9-12H2,1-2H3","YBIZBRVLZOIQPS-UHFFFAOYSA-N",null,4500]
["D11622",4890,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50553639","CCOC(=O)c1cnccc1N1CCN(CC1)c1ccccc1OC","InChI=1S/C19H23N3O3/c1-3-25-19(23)15-14-20-9-8-16(15)21-10-12-22(13-11-21)17-6-4-5-7-18(17)24-2/h4-9,14H,3,10-13H2,1-2H3","QLORXPYXPWPIGA-UHFFFAOYSA-N",null,4200]
["D11623",11885,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43033","CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2nc(-c3ccc(C)cc3)c(C#N)c(=O)n12","InChI=1S/C22H16ClN5O3/c1-3-31-21(30)19-26-28(16-10-8-15(23)9-11-16)22-25-18(14-6-4-13(2)5-7-14)17(12-24)20(29)27(19)22/h4-11H,3H2,1-2H3","KTEBGPBKVLYRPI-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11624",12418,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42938","CCOC(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N1CCC(C)CC1","InChI=1S/C18H23NO5S/c1-4-23-18(20)17-13(3)15-11-14(5-6-16(15)24-17)25(21,22)19-9-7-12(2)8-10-19/h5-6,11-12H,4,7-10H2,1-3H3","HIKAYUYKFLRFCF-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11625",31891,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM39003","CCOC(=O)c1oc2ccc(cc2c1C)S(=O)(=O)Nc1ccc2n(C)c(=O)n(C)c2c1","InChI=1S/C21H21N3O6S/c1-5-29-20(25)19-12(2)15-11-14(7-9-18(15)30-19)31(27,28)22-13-6-8-16-17(10-13)24(4)21(26)23(16)3/h6-11,22H,5H2,1-4H3","PMOFAUWBZPTDIJ-UHFFFAOYSA-N",null,47680]
["D11626",4237,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66242","CCOC(=O)c1oc2ccccc2c1NC(=O)CN1CCN(C)CC1","InChI=1S/C18H23N3O4/c1-3-24-18(23)17-16(13-6-4-5-7-14(13)25-17)19-15(22)12-21-10-8-20(2)9-11-21/h4-7H,3,8-12H2,1-2H3,(H,19,22)","SIOZQNMWDFVKAB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11627",12399,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42922","CCOC(=O)c1s\\c(=N\\C(=O)c2cc(OC)c(OC)c(OC)c2)n(C)c1C","InChI=1S/C18H22N2O6S/c1-7-26-17(22)15-10(2)20(3)18(27-15)19-16(21)11-8-12(23-4)14(25-6)13(9-11)24-5/h8-9H,7H2,1-6H3/b19-18+","WATAXJWZQCJLGM-VHEBQXMUSA-N",{"$nulls":3},49670]
["D11628",12038,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43169","CCOC(=O)c1s\\c(=N\\C(=O)c2ccc(OC(C)C)cc2)n(C)c1C","InChI=1S/C18H22N2O4S/c1-6-23-17(22)15-12(4)20(5)18(25-15)19-16(21)13-7-9-14(10-8-13)24-11(2)3/h7-11H,6H2,1-5H3/b19-18+","VOHMCOZJWMGMAQ-VHEBQXMUSA-N",{"$nulls":3},20340]
["D11629",12409,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42932","CCOC(=O)c1s\\c(=N\\C(=O)c2ccc(OC)c(OC)c2)n(C)c1C","InChI=1S/C17H20N2O5S/c1-6-24-16(21)14-10(2)19(3)17(25-14)18-15(20)11-7-8-12(22-4)13(9-11)23-5/h7-9H,6H2,1-5H3/b18-17+","KSJWSURRFMYMDY-ISLYRVAYSA-N",{"$nulls":3},11360]
["D11630",12404,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42927","CCOC(=O)c1s\\c(=N\\C(=O)c2cccc(OC)c2)n(C)c1C","InChI=1S/C16H18N2O4S/c1-5-22-15(20)13-10(2)18(3)16(23-13)17-14(19)11-7-6-8-12(9-11)21-4/h6-9H,5H2,1-4H3/b17-16+","LRGNZPRZUQBJIQ-WUKNDPDISA-N",{"$nulls":3},15240]
["D11631",3732,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66357","CCOC(=O)c1sc(NC(=O)CSc2nc(C)cc(C)c2C#N)c(C#N)c1C","InChI=1S/C19H18N4O3S2/c1-5-26-19(25)16-12(4)14(8-21)18(28-16)23-15(24)9-27-17-13(7-20)10(2)6-11(3)22-17/h6H,5,9H2,1-4H3,(H,23,24)","JAEKHQRRETWEMY-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11632",12353,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42886","CCOC(=O)c1sc(NC(=O)CSc2nnnn2-c2ccc(C)c(C)c2)nc1C","InChI=1S/C18H20N6O3S2/c1-5-27-16(26)15-12(4)19-17(29-15)20-14(25)9-28-18-21-22-23-24(18)13-7-6-10(2)11(3)8-13/h6-8H,5,9H2,1-4H3,(H,19,20,25)","OGSSNVWEJUTHOS-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11633",31756,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43559","CCOC(=O)c1sc(NCc2ccco2)c(c1N)-c1nc2ccccc2s1","InChI=1S/C19H17N3O3S2/c1-2-24-19(23)16-15(20)14(17(27-16)21-10-11-6-5-9-25-11)18-22-12-7-3-4-8-13(12)26-18/h3-9,21H,2,10,20H2,1H3","VQKNFXCTPFOWDD-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D11634",32078,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46364","CCOC(=O)c1sc2nc(CC(=O)OC)nc(NCc3ccc(Cl)cc3)c2c1C","InChI=1S/C20H20ClN3O4S/c1-4-28-20(26)17-11(2)16-18(22-10-12-5-7-13(21)8-6-12)23-14(9-15(25)27-3)24-19(16)29-17/h5-8H,4,9-10H2,1-3H3,(H,22,23,24)","ZYSMPTUHBIMKRI-UHFFFAOYSA-N",null,">55700"]
["D11635",11854,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43006","CCOC(=O)c1sc2nc(CC(=O)OC)nc(NCc3ccc(F)cc3)c2c1C","InChI=1S/C20H20FN3O4S/c1-4-28-20(26)17-11(2)16-18(22-10-12-5-7-13(21)8-6-12)23-14(9-15(25)27-3)24-19(16)29-17/h5-8H,4,9-10H2,1-3H3,(H,22,23,24)","IRAPHWYKNOXNCF-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11636",11818,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42975","CCOC(=O)c1sc2nccc(N(C)C)c2c1\\N=C\\N(C)C","InChI=1S/C15H20N4O2S/c1-6-21-15(20)13-12(17-9-18(2)3)11-10(19(4)5)7-8-16-14(11)22-13/h7-9H,6H2,1-5H3/b17-9+","FVGBVZPZELYCND-RQZCQDPDSA-N",{"$nulls":3},">79370"]
["D11637",11986,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43118","CCOC(=O)n1cc(-c2cnc(CNC(=O)C(C)(c3ccccc3)c3ccccc3)o2)c2ccccc12","InChI=1S/C30H27N3O4/c1-3-36-29(35)33-20-24(23-16-10-11-17-25(23)33)26-18-31-27(37-26)19-32-28(34)30(2,21-12-6-4-7-13-21)22-14-8-5-9-15-22/h4-18,20H,3,19H2,1-2H3,(H,32,34)","BYVINHSPJLKANF-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11638",18014,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569999","CCOC1(COC1)c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D11639",3842,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66768","CCOCCCNC(=O)C1(O)N(C(=O)Nc2ccc(Br)cc12)c1ccc(CC)cc1","InChI=1S/C22H26BrN3O4/c1-3-15-6-9-17(10-7-15)26-21(28)25-19-11-8-16(23)14-18(19)22(26,29)20(27)24-12-5-13-30-4-2/h6-11,14,29H,3-5,12-13H2,1-2H3,(H,24,27)(H,25,28)","LIQOSORBKMUFOF-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11640",3986,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66892","CCOCCCNC(=O)c1ccc(N2CC3CC(C2)c2cccc(=O)n2C3)c(NC(=O)Nc2cccc(OC)c2)c1","InChI=1S/C31H37N5O5/c1-3-41-14-6-13-32-30(38)22-11-12-28(26(16-22)34-31(39)33-24-7-4-8-25(17-24)40-2)35-18-21-15-23(20-35)27-9-5-10-29(37)36(27)19-21/h4-5,7-12,16-17,21,23H,3,6,13-15,18-20H2,1-2H3,(H,32,38)(H2,33,34,39)","RIGBCWDWNBEXKU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11641",4624,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66571","CCOCCCNC(=O)c1ccc2Sc3ccc(Br)cc3C(CC)=Nc2c1","InChI=1S/C21H23BrN2O2S/c1-3-17-16-13-15(22)7-9-19(16)27-20-8-6-14(12-18(20)24-17)21(25)23-10-5-11-26-4-2/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,23,25)","ANXOZKCBYCVCHA-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11642",12403,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42926","CCOCCCNCc1ccc(OC)c(OC)c1","InChI=1S/C14H23NO3/c1-4-18-9-5-8-15-11-12-6-7-13(16-2)14(10-12)17-3/h6-7,10,15H,4-5,8-9,11H2,1-3H3","PNYTUOWHXKTMAS-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11643",4563,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66515","CCOCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1cccs1","InChI=1S/C18H21NO4S/c1-3-22-6-7-23-18(21)17-11(2)16-13(19-17)9-12(10-14(16)20)15-5-4-8-24-15/h4-5,8,12,19H,3,6-7,9-10H2,1-2H3","PMXDNFHZACMQQF-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11644",11957,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43090","CCOCCn1c2ccc(cc2s\\c1=N/C(=O)c1cc(Cl)sc1Cl)S(N)(=O)=O","InChI=1S/C16H15Cl2N3O4S3/c1-2-25-6-5-21-11-4-3-9(28(19,23)24)7-12(11)26-16(21)20-15(22)10-8-13(17)27-14(10)18/h3-4,7-8H,2,5-6H2,1H3,(H2,19,23,24)/b20-16-","RWTJBAJUMGQDBV-SILNSSARSA-N",{"$nulls":3},16780]
["D11645",31720,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43539","CCO[C@@H]1OC(=C[C@@H]([C@H]1CCCO)c1ccc(cc1)C#C)C(=O)OCC=C","InChI=1S/C22H26O5/c1-4-14-26-21(24)20-15-19(17-11-9-16(5-2)10-12-17)18(8-7-13-23)22(27-20)25-6-3/h2,4,9-12,15,18-19,22-23H,1,6-8,13-14H2,3H3/t18-,19-,22-/m1/s1","YEOYHFGEGGZHBB-WOIUINJBSA-N",null,11850]
["D11646",11989,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43121","CCO[C@@H]1OC(=C[C@@H]([C@H]1CCCO)c1csc2ccccc12)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1","InChI=1S/C31H36N2O6S/c1-2-36-31-23(7-5-15-34)24(25-19-40-29-8-4-3-6-22(25)29)17-28(39-31)30(35)33-13-11-32(12-14-33)18-21-9-10-26-27(16-21)38-20-37-26/h3-4,6,8-10,16-17,19,23-24,31,34H,2,5,7,11-15,18,20H2,1H3/t23-,24+,31-/m1/s1","HMWUPEBWYBVNQB-ULPIOCOXSA-N",{"$nulls":3},">79370"]
["D11647",16242,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478532","CCOc1c(ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c12)-c1ccncc1OC","InChI=1S/C29H33N7O3/c1-3-39-27-22(21-9-10-30-17-24(21)38-2)6-7-23-26(27)34-29(32-23)33-25-16-19(8-11-31-25)18-35-12-14-36(15-13-35)28(37)20-4-5-20/h6-11,16-17,20H,3-5,12-15,18H2,1-2H3,(H2,31,32,33,34)","AJGCMROSHHOQNA-UHFFFAOYSA-N",null,113]
["D11648",16260,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478537","CCOc1c(ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c12)-c1cnn(CC)c1","InChI=1S/C28H34N8O2/c1-3-36-18-21(16-30-36)22-7-8-23-25(26(22)38-4-2)33-28(31-23)32-24-15-19(9-10-29-24)17-34-11-13-35(14-12-34)27(37)20-5-6-20/h7-10,15-16,18,20H,3-6,11-14,17H2,1-2H3,(H2,29,31,32,33)","IDATXJKNECCCGH-UHFFFAOYSA-N",null,121]
["D11649",16390,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478533","CCOc1c(ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CCC4)ccn3)[nH]c12)-c1ccncc1OC","InChI=1S/C30H35N7O3/c1-3-40-28-23(22-10-11-31-18-25(22)39-2)7-8-24-27(28)35-30(33-24)34-26-17-20(9-12-32-26)19-36-13-15-37(16-14-36)29(38)21-5-4-6-21/h7-12,17-18,21H,3-6,13-16,19H2,1-2H3,(H2,32,33,34,35)","UUYVBIXJHQZUKH-UHFFFAOYSA-N",null,203]
["D11650",16305,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478530","CCOc1c(ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c12)-c1ccncc1OC","InChI=1S/C28H30F3N7O3/c1-3-41-26-20(19-7-8-32-16-22(19)40-2)4-5-21-25(26)36-27(34-21)35-23-14-18(6-9-33-23)17-37-10-12-38(13-11-37)24(39)15-28(29,30)31/h4-9,14,16H,3,10-13,15,17H2,1-2H3,(H2,33,34,35,36)","VTHHAOCILNTUFC-UHFFFAOYSA-N",null,148]
["D11651",16284,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478536","CCOc1c(ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c12)-c1cnn(CC)c1","InChI=1S/C27H31F3N8O2/c1-3-38-17-19(15-32-38)20-5-6-21-24(25(20)40-4-2)35-26(33-21)34-22-13-18(7-8-31-22)16-36-9-11-37(12-10-36)23(39)14-27(28,29)30/h5-8,13,15,17H,3-4,9-12,14,16H2,1-2H3,(H2,31,33,34,35)","FJQZSPONWBUZCT-UHFFFAOYSA-N",null,132]
["D11652",16463,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478531","CCOc1c(ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC4CC4)ccn3)[nH]c12)-c1ccncc1OC","InChI=1S/C30H35N7O3/c1-3-40-29-23(22-9-10-31-18-25(22)39-2)6-7-24-28(29)35-30(33-24)34-26-16-21(8-11-32-26)19-36-12-14-37(15-13-36)27(38)17-20-4-5-20/h6-11,16,18,20H,3-5,12-15,17,19H2,1-2H3,(H2,32,33,34,35)","SNYMYUAYSMBNEL-UHFFFAOYSA-N",null,270]
["D11653",4442,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66352","CCOc1cc(C=NN=C(N)c2nonc2N)cc(Br)c1OCc1cccc2ccccc12","InChI=1S/C23H21BrN6O3/c1-2-31-19-11-14(12-27-28-22(25)20-23(26)30-33-29-20)10-18(24)21(19)32-13-16-8-5-7-15-6-3-4-9-17(15)16/h3-12H,2,13H2,1H3,(H2,25,28)(H2,26,30)","TVXDYAQKPKQXHU-UHFFFAOYSA-N",{"$nulls":3},27960]
["D11654",4692,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM58065","CCOc1cc(CN=Nc2cc(C)nc(n2)-n2nc(C)cc2C)ccc1O","InChI=1S/C19H22N6O2/c1-5-27-17-10-15(6-7-16(17)26)11-20-23-18-9-12(2)21-19(22-18)25-14(4)8-13(3)24-25/h6-10,26H,5,11H2,1-4H3","ZIUDGXBHDIMSBO-UHFFFAOYSA-N",{"$nulls":3},50430]
["D11655",4582,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66533","CCOc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc(Br)c1OCC=C","InChI=1S/C19H18BrN3O3/c1-3-7-26-18-14(20)8-12(9-17(18)25-4-2)11-21-13-5-6-15-16(10-13)23-19(24)22-15/h3,5-6,8-10,21H,1,4,7,11H2,2H3","CUVVGUPVJJPFRW-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11656",16603,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209646","CCOc1cc(NC(=O)c2cc(cnc2N)-c2ccc(CN3CCOCC3)s2)ccn1","InChI=1S/C22H25N5O3S/c1-2-30-20-12-16(5-6-24-20)26-22(28)18-11-15(13-25-21(18)23)19-4-3-17(31-19)14-27-7-9-29-10-8-27/h3-6,11-13H,2,7-10,14H2,1H3,(H2,23,25)(H,24,26,28)","CMRSPQFHPQBQIK-UHFFFAOYSA-N",null,430,{"$nulls":4},7.5,"30.00 C"]
["D11657",4289,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM57399","CCOc1cc(\\C=C/[N+]([O-])=O)ccc1OCC(=O)Nc1ccccc1C","InChI=1S/C19H20N2O5/c1-3-25-18-12-15(10-11-21(23)24)8-9-17(18)26-13-19(22)20-16-7-5-4-6-14(16)2/h4-12H,3,13H2,1-2H3,(H,20,22)/b11-10-","WKDAPNQXQZDJTM-KHPPLWFESA-N",{"$nulls":3},3668]
["D11658",4420,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM51641","CCOc1cc(\\C=C2/C(=O)N=C3SC=CN3C2=N)ccc1OCCCOc1ccccc1C","InChI=1S/C25H25N3O4S/c1-3-30-22-16-18(15-19-23(26)28-11-14-33-25(28)27-24(19)29)9-10-21(22)32-13-6-12-31-20-8-5-4-7-17(20)2/h4-5,7-11,14-16,26H,3,6,12-13H2,1-2H3/b19-15-,26-23?","HGCVJSHSYDCVOT-FKODFALISA-N",{"$nulls":3},17990]
["D11659",12290,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM76171","CCOc1cc(\\C=C2/CCC\\C(=C/c3cc(Cl)c(O)c(OCC)c3)C2=O)cc(Cl)c1O","InChI=1S/C24H24Cl2O5/c1-3-30-20-12-14(10-18(25)23(20)28)8-16-6-5-7-17(22(16)27)9-15-11-19(26)24(29)21(13-15)31-4-2/h8-13,28-29H,3-7H2,1-2H3/b16-8+,17-9+","UBNIWCQGNMPLDO-GONBZBRSSA-N",null,">35833"]
["D11660",12144,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM46455","CCOc1cc(cc(Br)c1OC)C(N)=O","InChI=1S/C10H12BrNO3/c1-3-15-8-5-6(10(12)13)4-7(11)9(8)14-2/h4-5H,3H2,1-2H3,(H2,12,13)","AGMUJEZTMQRKPI-UHFFFAOYSA-N",null,5795]
["D11661",32033,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43515","CCOc1cc(cc(OCC)c1OCC)-c1noc(N)c1C#N","InChI=1S/C16H19N3O4/c1-4-20-12-7-10(14-11(9-17)16(18)23-19-14)8-13(21-5-2)15(12)22-6-3/h7-8H,4-6,18H2,1-3H3","OLALEGDVRAAJRH-UHFFFAOYSA-N",null,">55700"]
["D11662",31772,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43572","CCOc1cc(ccc1N)-c1ccc(N)c(OCC)c1","InChI=1S/C16H20N2O2/c1-3-19-15-9-11(5-7-13(15)17)12-6-8-14(18)16(10-12)20-4-2/h5-10H,3-4,17-18H2,1-2H3","XRWMYQLURQHNCL-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D11663",4723,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM38845","CCOc1cc(ccc1NC(=O)CC)C(=O)CSc1nnc(CNc2ccc(Cl)cc2)o1","InChI=1S/C22H23ClN4O4S/c1-3-20(29)25-17-10-5-14(11-19(17)30-4-2)18(28)13-32-22-27-26-21(31-22)12-24-16-8-6-15(23)7-9-16/h5-11,24H,3-4,12-13H2,1-2H3,(H,25,29)","ULLXPBFGTJZUJY-UHFFFAOYSA-N",{"$nulls":3},16030]
["D11664",4957,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM196923","CCOc1cc(ccc1OCC(O)=O)C(O)P(O)(=O)CC[C@@H](N)C(O)=O","InChI=1S/C15H22NO9P/c1-2-24-12-7-9(3-4-11(12)25-8-13(17)18)15(21)26(22,23)6-5-10(16)14(19)20/h3-4,7,10,15,21H,2,5-6,8,16H2,1H3,(H,17,18)(H,19,20)(H,22,23)/t10-,15?/m1/s1","DUVRKQMGYBQIIA-INHVJJQHSA-N",{"$nulls":3},60200]
["D11665",32095,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46384","CCOc1cc(ccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=S)N1CCOCC1","InChI=1S/C21H24N2O6S2/c1-3-28-20-14-16(21(30)23-10-12-27-13-11-23)4-9-19(20)29-31(25,26)18-7-5-17(6-8-18)22-15(2)24/h4-9,14H,3,10-13H2,1-2H3,(H,22,24)","KYEAAILAIPUQBY-UHFFFAOYSA-N",null,">55700"]
["D11666",14861,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478830","CCOc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C27H30N8O2/c1-2-37-25-15-22(29-17-30-25)20-5-6-21-23(14-20)32-27(31-21)33-24-13-18(7-8-28-24)16-34-9-11-35(12-10-34)26(36)19-3-4-19/h5-8,13-15,17,19H,2-4,9-12,16H2,1H3,(H2,28,31,32,33)","UVQJHLGHHBUVRY-UHFFFAOYSA-N",null,6.7]
["D11667",14901,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478829","CCOc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C26H27F3N8O2/c1-2-39-23-13-20(31-16-32-23)18-3-4-19-21(12-18)34-25(33-19)35-22-11-17(5-6-30-22)15-36-7-9-37(10-8-36)24(38)14-26(27,28)29/h3-6,11-13,16H,2,7-10,14-15H2,1H3,(H2,30,33,34,35)","JFWLHTPLBVCFEL-UHFFFAOYSA-N",null,7.7]
["D11668",4476,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66447","CCOc1cc2CC(=O)N(C(c3ccccc3)c2cc1OCC)c1ccccc1","InChI=1S/C25H25NO3/c1-3-28-22-15-19-16-24(27)26(20-13-9-6-10-14-20)25(18-11-7-5-8-12-18)21(19)17-23(22)29-4-2/h5-15,17,25H,3-4,16H2,1-2H3","WVWOWZIVUDVZRS-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11669",4271,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66266","CCOc1cc2[nH]c(=S)n(CCCOC)c(=O)c2cc1OCC","InChI=1S/C16H22N2O4S/c1-4-21-13-9-11-12(10-14(13)22-5-2)17-16(23)18(15(11)19)7-6-8-20-3/h9-10H,4-8H2,1-3H3,(H,17,23)","WBCIAHUEWFZRQG-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11670",31395,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Cyclin-dependent kinase 11A","Homo sapiens","BDBM31090","CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\\C=C\\CN(C)C","InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+","WVUNYSQLFKLYNI-AATRIKPKSA-N",null,null,">10000"]
["D11671",25901,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM50161957","CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\\C=C\\CN(C)C","InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+","JWNPDZNEKVCWMY-VQHVLOKHSA-N",null,null,">10000"]
["D11672",11927,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43187","CCOc1ccc(C=Nn2cc([nH]c2=S)-c2ccccc2)cc1","InChI=1S/C18H17N3OS/c1-2-22-16-10-8-14(9-11-16)12-19-21-13-17(20-18(21)23)15-6-4-3-5-7-15/h3-13H,2H2,1H3,(H,20,23)","GLQOGUNUNKSELM-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11673",12099,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87294","CCOc1ccc(CC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1OCC","InChI=1S/C23H24N2O5/c1-3-28-19-12-7-16(14-21(19)29-4-2)15-22(26)24-17-8-10-18(11-9-17)25-23(27)20-6-5-13-30-20/h5-14H,3-4,15H2,1-2H3,(H,24,26)(H,25,27)","KHKPNYUJHIOLNT-UHFFFAOYSA-N",null,4239]
["D11674",11968,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43101","CCOc1ccc(CCNC(=O)CSc2nn(-c3ccc(C)c(Cl)c3)c(=S)s2)cc1OCC","InChI=1S/C23H26ClN3O3S3/c1-4-29-19-9-7-16(12-20(19)30-5-2)10-11-25-21(28)14-32-22-26-27(23(31)33-22)17-8-6-15(3)18(24)13-17/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,25,28)","LJNCWLORKASOSI-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11675",32200,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43639","CCOc1ccc(CN2CCN(Cc3cc4ccccc4[nH]3)CC2CCO)cc1","InChI=1S/C24H31N3O2/c1-2-29-23-9-7-19(8-10-23)16-27-13-12-26(18-22(27)11-14-28)17-21-15-20-5-3-4-6-24(20)25-21/h3-10,15,22,25,28H,2,11-14,16-18H2,1H3","HYVUSMHYYSUJIS-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D11676",4776,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66695","CCOc1ccc(CNC2CCCCCCC2)cc1OC","InChI=1S/C18H29NO2/c1-3-21-17-12-11-15(13-18(17)20-2)14-19-16-9-7-5-4-6-8-10-16/h11-13,16,19H,3-10,14H2,1-2H3","JXPNMZDMFHUSTD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11677",4363,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66298","CCOc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)cc1","InChI=1S/C24H24FN5O2S/c1-3-32-21-12-8-18(9-13-21)26-23(31)16-33-24-28-27-22(15-20-5-4-14-29(20)2)30(24)19-10-6-17(25)7-11-19/h4-14H,3,15-16H2,1-2H3,(H,26,31)","AQWLMIPFBWNYFH-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11678",4294,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66396","CCOc1ccc(NC(=S)NC(=O)C=Cc2ccc(C)cc2)c(c1)[N+]([O-])=O","InChI=1S/C19H19N3O4S/c1-3-26-15-9-10-16(17(12-15)22(24)25)20-19(27)21-18(23)11-8-14-6-4-13(2)5-7-14/h4-12H,3H2,1-2H3,(H2,20,21,23,27)","IHOWGNSDOKKWMZ-UHFFFAOYSA-N",{"$nulls":3},31450]
["D11679",12054,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43185","CCOc1ccc(NC2=NN=C(CS2)c2cc(C)n(CC3CCCO3)c2C)cc1","InChI=1S/C22H28N4O2S/c1-4-27-18-9-7-17(8-10-18)23-22-25-24-21(14-29-22)20-12-15(2)26(16(20)3)13-19-6-5-11-28-19/h7-10,12,19H,4-6,11,13-14H2,1-3H3,(H,23,25)","XFVBZNFJSRKAAO-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11680",16765,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM373536","CCOc1ccc(NCc2ccc(O)c3ncccc23)cc1","InChI=1S/C18H18N2O2/c1-2-22-15-8-6-14(7-9-15)20-12-13-5-10-17(21)18-16(13)4-3-11-19-18/h3-11,20-21H,2,12H2,1H3","XIXMMIAXZQPUCX-UHFFFAOYSA-N",null,640]
["D11681",3938,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM59070","CCOc1ccc(NCc2cccn2-c2nnc(s2)N2CCC(CC2)C(=O)NCCCN2CC(C)CC(C)C2)cc1","InChI=1S/C31H45N7O2S/c1-4-40-28-10-8-26(9-11-28)33-20-27-7-5-16-38(27)31-35-34-30(41-31)37-17-12-25(13-18-37)29(39)32-14-6-15-36-21-23(2)19-24(3)22-36/h5,7-11,16,23-25,33H,4,6,12-15,17-22H2,1-3H3,(H,32,39)","RVQRYHKCQGCGKZ-UHFFFAOYSA-N",{"$nulls":3},55790]
["D11682",12302,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM38883","CCOc1ccc(Nc2cc(C)nc(n2)-n2nc(C)cc2C)cc1","InChI=1S/C18H21N5O/c1-5-24-16-8-6-15(7-9-16)20-17-11-12(2)19-18(21-17)23-14(4)10-13(3)22-23/h6-11H,5H2,1-4H3,(H,19,20,21)","XKJYQGQMUPMJPB-UHFFFAOYSA-N",null,">35866"]
["D11683",4362,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66297","CCOc1ccc(Nc2cc(C)nc3nc(C)nn23)cc1","InChI=1S/C15H17N5O/c1-4-21-13-7-5-12(6-8-13)18-14-9-10(2)16-15-17-11(3)19-20(14)15/h5-9,18H,4H2,1-3H3","DFAVJEXJYJYTHG-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11684",18252,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50459908","CCOc1ccc(Nc2ncc(Br)c(NCCCN(C)C(=O)C3CCC3)n2)cc1","InChI=1S/C21H28BrN5O2/c1-3-29-17-10-8-16(9-11-17)25-21-24-14-18(22)19(26-21)23-12-5-13-27(2)20(28)15-6-4-7-15/h8-11,14-15H,3-7,12-13H2,1-2H3,(H2,23,24,25,26)","PVQVFVACJIWZEL-UHFFFAOYSA-N",null,null,1.3]
["D11685",14868,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278316","CCOc1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)C3CCC(=O)N3)c(c2)C#N)cn1","InChI=1S/C27H27FN8O4/c1-2-39-24-8-4-18(13-30-24)33-27-32-15-31-25(35-27)16-3-6-21(17(11-16)12-29)40-22-9-10-36(14-19(22)28)26(38)20-5-7-23(37)34-20/h3-4,6,8,11,13,15,19-20,22H,2,5,7,9-10,14H2,1H3,(H,34,37)(H,31,32,33,35)/t19-,20?,22+/m1/s1","HPLAJCJEPOOJCG-OBIJOXKXSA-N",null,7]
["D11686",15252,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278319","CCOc1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@H](C)O)c(c2)C#N)cn1","InChI=1S/C25H26FN7O4/c1-3-36-22-7-5-18(12-28-22)31-25-30-14-29-23(32-25)16-4-6-20(17(10-16)11-27)37-21-8-9-33(13-19(21)26)24(35)15(2)34/h4-7,10,12,14-15,19,21,34H,3,8-9,13H2,1-2H3,(H,29,30,31,32)/t15-,19+,21-/m0/s1","QQBXPKMQHKPPRH-DLVCFXQMSA-N",null,15]
["D11687",4064,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66958","CCOc1ccc(OCC(=O)N(CCC2=CCCCC2)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1","InChI=1S/C29H34N4O5/c1-2-37-23-13-15-24(16-14-23)38-20-25(34)32(18-17-21-9-5-3-6-10-21)26-27(30)33(29(36)31-28(26)35)19-22-11-7-4-8-12-22/h4,7-9,11-16H,2-3,5-6,10,17-20,30H2,1H3,(H,31,35,36)","RKIXTKNTYJIKLL-UHFFFAOYSA-N",{"$nulls":3},19090]
["D11688",4166,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67050","CCOc1ccc(OCc2ccc(cc2)C(=O)NN=Cc2ccc[nH]2)cc1","InChI=1S/C21H21N3O3/c1-2-26-19-9-11-20(12-10-19)27-15-16-5-7-17(8-6-16)21(25)24-23-14-18-4-3-13-22-18/h3-14,22H,2,15H2,1H3,(H,24,25)/b23-14+","MCAAVPPQIPYHLA-OEAKJJBVSA-N",{"$nulls":3},">350000"]
["D11689",11791,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87317","CCOc1ccc(\\C=C2/SC(=S)N(CCC(O)=O)C2=O)cc1","InChI=1S/C15H15NO4S2/c1-2-20-11-5-3-10(4-6-11)9-12-14(19)16(15(21)22-12)8-7-13(17)18/h3-6,9H,2,7-8H2,1H3,(H,17,18)/b12-9-","AYUXOHIOPIWDOF-XFXZXTDPSA-N",null,2116]
["D11690",12274,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87342","CCOc1ccc(\\C=C2/SC(=S)N(CCCC(=O)NCCCN3CCOCC3)C2=O)cc1","InChI=1S/C23H31N3O4S2/c1-2-30-19-8-6-18(7-9-19)17-20-22(28)26(23(31)32-20)12-3-5-21(27)24-10-4-11-25-13-15-29-16-14-25/h6-9,17H,2-5,10-16H2,1H3,(H,24,27)/b20-17-","VDUBOQBUCQLZCK-JZJYNLBNSA-N",null,20256]
["D11691",12182,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM59156","CCOc1ccc(cc1)-c1cc(C)n2nc(cc2n1)C(N)=O","InChI=1S/C16H16N4O2/c1-3-22-12-6-4-11(5-7-12)13-8-10(2)20-15(18-13)9-14(19-20)16(17)21/h4-9H,3H2,1-2H3,(H2,17,21)","BXIZJGZAEAKYFL-UHFFFAOYSA-N",null,7809]
["D11692",31835,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67099","CCOc1ccc(cc1)-c1csc(Cn2c(CN3CCN(C)CC3)nc3ccccc3c2=O)n1","InChI=1S/C26H29N5O2S/c1-3-33-20-10-8-19(9-11-20)23-18-34-25(28-23)17-31-24(16-30-14-12-29(2)13-15-30)27-22-7-5-4-6-21(22)26(31)32/h4-11,18H,3,12-17H2,1-2H3","BJZYXACHNCPIJY-UHFFFAOYSA-N",null,">18563"]
["D11693",11929,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43189","CCOc1ccc(cc1)-c1csc(NNC2=NCCCCC2)n1","InChI=1S/C17H22N4OS/c1-2-22-14-9-7-13(8-10-14)15-12-23-17(19-15)21-20-16-6-4-3-5-11-18-16/h7-10,12H,2-6,11H2,1H3,(H,18,20)(H,19,21)","VVISRYPDKTXOMY-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11694",16422,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379379","CCOc1ccc(cc1)-c1nc2ncc(Br)c(NC)c2[nH]1","InChI=1S/C15H15BrN4O/c1-3-21-10-6-4-9(5-7-10)14-19-13-12(17-2)11(16)8-18-15(13)20-14/h4-8H,3H2,1-2H3,(H2,17,18,19,20)","FIASWBLFYIGRQT-UHFFFAOYSA-N",null,231]
["D11695",12259,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM39037","CCOc1ccc(cc1)-c1noc(CCC(O)=O)n1","InChI=1S/C13H14N2O4/c1-2-18-10-5-3-9(4-6-10)13-14-11(19-15-13)7-8-12(16)17/h3-6H,2,7-8H2,1H3,(H,16,17)","WKJJPENOGQVARC-UHFFFAOYSA-N",null,15161]
["D11696",4629,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM55783","CCOc1ccc(cc1)-n1c(N)c2c(C)nnc2nc1SCC(=O)Nc1ccc(Br)cc1","InChI=1S/C22H21BrN6O2S/c1-3-31-17-10-8-16(9-11-17)29-20(24)19-13(2)27-28-21(19)26-22(29)32-12-18(30)25-15-6-4-14(23)5-7-15/h4-11H,3,12,24H2,1-2H3,(H,25,30)","LYKAPGLAGVBHCN-UHFFFAOYSA-N",{"$nulls":3},21560]
["D11697",4396,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66319","CCOc1ccc(cc1)N1C(=O)CNC1=Nc1ccccc1F","InChI=1S/C17H16FN3O2/c1-2-23-13-9-7-12(8-10-13)21-16(22)11-19-17(21)20-15-6-4-3-5-14(15)18/h3-10H,2,11H2,1H3,(H,19,20)","OMAYCUIWRGLALI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11698",4627,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66574","CCOc1ccc(cc1)N1C(c2cccc(c2)[N+]([O-])=O)S(=O)(=O)\\C(=C\\c2ccc(O)c(OC)c2)C1=O","InChI=1S/C25H22N2O8S/c1-3-35-20-10-8-18(9-11-20)26-24(29)23(14-16-7-12-21(28)22(13-16)34-2)36(32,33)25(26)17-5-4-6-19(15-17)27(30)31/h4-15,25,28H,3H2,1-2H3/b23-14+","FJLJOQIRHXPRGE-OEAKJJBVSA-N",{"$nulls":3},56630]
["D11699",4069,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66963","CCOc1ccc(cc1)N1CC(CC1=O)C(=O)NNC(=O)c1ccc(Br)cc1","InChI=1S/C20H20BrN3O4/c1-2-28-17-9-7-16(8-10-17)24-12-14(11-18(24)25)20(27)23-22-19(26)13-3-5-15(21)6-4-13/h3-10,14H,2,11-12H2,1H3,(H,22,26)(H,23,27)","UGWGSIYIAJNDMV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11700",11918,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43064","CCOc1ccc(cc1C)-c1nn(cc1C=C1SC(N)=NC1=O)-c1ccccc1","InChI=1S/C22H20N4O2S/c1-3-28-18-10-9-15(11-14(18)2)20-16(12-19-21(27)24-22(23)29-19)13-26(25-20)17-7-5-4-6-8-17/h4-13H,3H2,1-2H3,(H2,23,24,27)","XLGZUCLOYKPZHM-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11701",4823,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50280369","CCOc1ccc(cc1OC)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1","InChI=1S/C19H17F3N4O4/c1-3-29-16-7-4-12(8-17(16)28-2)18(27)25-14-9-13(30-19(20,21)22)5-6-15(14)26-11-23-10-24-26/h4-11H,3H2,1-2H3,(H,25,27)","YVBPGGPLSRCXIM-UHFFFAOYSA-N",null,510]
["D11702",3903,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM64753","CCOc1ccc(nn1)-c1ccc(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1","InChI=1S/C18H16N4O5S/c1-2-27-18-12-11-17(19-20-18)13-3-5-14(6-4-13)21-28(25,26)16-9-7-15(8-10-16)22(23)24/h3-12,21H,2H2,1H3","JIPDQRTURCTCRJ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11703",31958,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50103749","CCOc1ccc2c(C)nc(NC3=NC(C)=CC(C)(C)N3)nc2c1","InChI=1S/C18H23N5O/c1-6-24-13-7-8-14-12(3)20-16(21-15(14)9-13)22-17-19-11(2)10-18(4,5)23-17/h7-10H,6H2,1-5H3,(H2,19,20,21,22,23)","SNGZYDWWLUKFQC-UHFFFAOYSA-N",null,">50000"]
["D11704",31950,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50103643","CCOc1ccc2nc(NC3=NC(C)=CC(C)(C)N3)nc(C)c2c1","InChI=1S/C18H23N5O/c1-6-24-13-7-8-15-14(9-13)12(3)20-16(21-15)22-17-19-11(2)10-18(4,5)23-17/h7-10H,6H2,1-5H3,(H2,19,20,21,22,23)","LQJFOLOHSFCUQS-UHFFFAOYSA-N",null,">50000"]
["D11705",4218,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66228","CCOc1ccc2nc(NCCNC(=O)Nc3cccc(C)c3)c(cc2c1)C#N","InChI=1S/C22H23N5O2/c1-3-29-19-7-8-20-16(13-19)12-17(14-23)21(27-20)24-9-10-25-22(28)26-18-6-4-5-15(2)11-18/h4-8,11-13H,3,9-10H2,1-2H3,(H,24,27)(H2,25,26,28)","DZAOCAVTPRLLJV-UHFFFAOYSA-N",{"$nulls":3},35690]
["D11706",31952,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50103886","CCOc1ccc2nc(Nc3nc(=O)c(C)c(C)[nH]3)nc(C)c2c1","InChI=1S/C17H19N5O2/c1-5-24-12-6-7-14-13(8-12)11(4)19-16(20-14)22-17-18-10(3)9(2)15(23)21-17/h6-8H,5H2,1-4H3,(H2,18,19,20,21,22,23)","YAURPXLONXUWGZ-UHFFFAOYSA-N",null,">50000"]
["D11707",31954,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50103884","CCOc1ccc2nc(Nc3nc(=O)c(Cc4ccccc4)c(C)[nH]3)nc(C)c2c1","InChI=1S/C23H23N5O2/c1-4-30-17-10-11-20-18(13-17)14(2)24-22(26-20)28-23-25-15(3)19(21(29)27-23)12-16-8-6-5-7-9-16/h5-11,13H,4,12H2,1-3H3,(H2,24,25,26,27,28,29)","UDRHODIBQPWHOF-UHFFFAOYSA-N",null,">50000"]
["D11708",31951,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50103885","CCOc1ccc2nc(Nc3nc(=O)cc(C)[nH]3)nc(C)c2c1","InChI=1S/C16H17N5O2/c1-4-23-11-5-6-13-12(8-11)10(3)18-16(19-13)21-15-17-9(2)7-14(22)20-15/h5-8H,4H2,1-3H3,(H2,17,18,19,20,21,22)","QEMQLVAVCMAJBF-UHFFFAOYSA-N",null,">50000"]
["D11709",31953,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50103883","CCOc1ccc2nc(Nc3nc(=O)cc([nH]3)-c3ccccc3)nc(C)c2c1","InChI=1S/C21H19N5O2/c1-3-28-15-9-10-17-16(11-15)13(2)22-20(23-17)26-21-24-18(12-19(27)25-21)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H2,22,23,24,25,26,27)","QFNJJXXFRZYQKE-UHFFFAOYSA-N",null,">50000"]
["D11710",32023,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67134","CCOc1ccc2oc(=O)cc(CSc3nc4ccccc4c(=O)[nH]3)c2c1","InChI=1S/C20H16N2O4S/c1-2-25-13-7-8-17-15(10-13)12(9-18(23)26-17)11-27-20-21-16-6-4-3-5-14(16)19(24)22-20/h3-10H,2,11H2,1H3,(H,21,22,24)","IVVZLZKSGWCDFM-UHFFFAOYSA-N",null,">55690"]
["D11711",3513,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565052","CCOc1cccc(C2CCc3c(C2)cnn(-c2ncccn2)c3=O)c1C","InChI=1S/C21H22N4O2/c1-3-27-19-7-4-6-17(14(19)2)15-8-9-18-16(12-15)13-24-25(20(18)26)21-22-10-5-11-23-21/h4-7,10-11,13,15H,3,8-9,12H2,1-2H3","PREVVCRXKDSBDI-UHFFFAOYSA-N",null,"<500"]
["D11712",12215,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87588","CCOc1cccc(C=NNC(=O)c2cccnc2)c1O","InChI=1S/C15H15N3O3/c1-2-21-13-7-3-5-11(14(13)19)10-17-18-15(20)12-6-4-8-16-9-12/h3-10,19H,2H2,1H3,(H,18,20)","ZFULGBFZQJLCRE-UHFFFAOYSA-N",null,9666]
["D11713",4332,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66274","CCOc1cccc(c1)C(=O)Nc1cccc(c1)-c1nnc(o1)-c1ccc(C)cc1","InChI=1S/C24H21N3O3/c1-3-29-21-9-5-6-18(15-21)22(28)25-20-8-4-7-19(14-20)24-27-26-23(30-24)17-12-10-16(2)11-13-17/h4-15H,3H2,1-2H3,(H,25,28)","JKZNFLPDNPKIKU-UHFFFAOYSA-N",{"$nulls":3},60410]
["D11714",11873,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43022","CCOc1cccc(c1)C(=O)Nc1nnc(s1)-c1cccs1","InChI=1S/C15H13N3O2S2/c1-2-20-11-6-3-5-10(9-11)13(19)16-15-18-17-14(22-15)12-7-4-8-21-12/h3-9H,2H2,1H3,(H,16,18,19)","KHEMGEZOIRUKFO-UHFFFAOYSA-N",{"$nulls":3},30260]
["D11715",4221,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66230","CCOc1cccc(c1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1Cc1ccncc1","InChI=1S/C24H22N2O5/c1-3-30-18-6-4-5-17(13-18)21-20(22(27)19-8-7-15(2)31-19)23(28)24(29)26(21)14-16-9-11-25-12-10-16/h4-13,20-21H,3,14H2,1-2H3","BULLYBBNUCPTFB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11716",12441,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42955","CCOc1cccc2cc(C(=O)Nc3cc(C)on3)c(=O)oc12","InChI=1S/C16H14N2O5/c1-3-21-12-6-4-5-10-8-11(16(20)22-14(10)12)15(19)17-13-7-9(2)23-18-13/h4-8H,3H2,1-2H3,(H,17,18,19)","JXGKVXDTRKMMMP-UHFFFAOYSA-N",{"$nulls":3},30140]
["D11717",32162,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43603","CCOc1ccccc1-c1nnc(S)o1","InChI=1S/C10H10N2O2S/c1-2-13-8-6-4-3-5-7(8)9-11-12-10(15)14-9/h3-6H,2H2,1H3,(H,12,15)","VTXLLACKNPVAJW-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D11718",12333,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM59559","CCOc1ccccc1-n1c(SCC(=O)Nc2ccccc2C(O)=O)nc2ccccc2c1=O","InChI=1S/C25H21N3O5S/c1-2-33-21-14-8-7-13-20(21)28-23(30)16-9-3-5-11-18(16)27-25(28)34-15-22(29)26-19-12-6-4-10-17(19)24(31)32/h3-14H,2,15H2,1H3,(H,26,29)(H,31,32)","MYFSXFXHHCNNSH-UHFFFAOYSA-N",null,">35876"]
["D11719",4521,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66481","CCOc1ccccc1C(=O)N[C@@H](C(C)C)C(=O)OCc1cc(cc2COCOc12)[N+]([O-])=O","InChI=1S/C23H26N2O8/c1-4-31-19-8-6-5-7-18(19)22(26)24-20(14(2)3)23(27)32-12-16-10-17(25(28)29)9-15-11-30-13-33-21(15)16/h5-10,14,20H,4,11-13H2,1-3H3,(H,24,26)/t20-/m0/s1","ROIZWNWSZNFMGO-FQEVSTJZSA-N",{"$nulls":3},">350000"]
["D11720",32190,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43629","CCOc1ccccc1C1CC(=NN1S(C)(=O)=O)c1cccs1","InChI=1S/C16H18N2O3S2/c1-3-21-15-8-5-4-7-12(15)14-11-13(16-9-6-10-22-16)17-18(14)23(2,19)20/h4-10,14H,3,11H2,1-2H3","NQQLJNBVMLWXPN-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D11721",32187,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43626","CCOc1ccccc1CN1CCN(Cc2cc3ccccc3[nH]2)CC1CCO","InChI=1S/C24H31N3O2/c1-2-29-24-10-6-4-8-20(24)16-27-13-12-26(18-22(27)11-14-28)17-21-15-19-7-3-5-9-23(19)25-21/h3-10,15,22,25,28H,2,11-14,16-18H2,1H3","DZGRLYLKYCPFRS-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D11722",3920,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66835","CCOc1ccccc1CNC(=O)Cn1nc(C)c2c(C)n(nc2c1=O)-c1ccc(C)cc1","InChI=1S/C25H27N5O3/c1-5-33-21-9-7-6-8-19(21)14-26-22(31)15-29-25(32)24-23(17(3)27-29)18(4)30(28-24)20-12-10-16(2)11-13-20/h6-13H,5,14-15H2,1-4H3,(H,26,31)","KQCBYLYYRKLTPM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11723",32001,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67107","CCOc1ccccc1NC(=O)C(N1CCN(CC1)S(=O)(=O)c1ccc(F)c(F)c1F)c1ccccc1","InChI=1S/C26H26F3N3O4S/c1-2-36-21-11-7-6-10-20(21)30-26(33)25(18-8-4-3-5-9-18)31-14-16-32(17-15-31)37(34,35)22-13-12-19(27)23(28)24(22)29/h3-13,25H,2,14-17H2,1H3,(H,30,33)","PLRSCNQWVFFTEY-UHFFFAOYSA-N",null,">55690"]
["D11724",4631,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66577","CCOc1ccccc1NC(=O)CN1C(=O)CSC(C)C1=O","InChI=1S/C15H18N2O4S/c1-3-21-12-7-5-4-6-11(12)16-13(18)8-17-14(19)9-22-10(2)15(17)20/h4-7,10H,3,8-9H2,1-2H3,(H,16,18)","CWUBOJBZGPUTTM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11725",4351,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66289","CCOc1ccccc1NC(=O)Nc1cc(OC)ccc1OC","InChI=1S/C17H20N2O4/c1-4-23-16-8-6-5-7-13(16)18-17(20)19-14-11-12(21-2)9-10-15(14)22-3/h5-11H,4H2,1-3H3,(H2,18,19,20)","AZBSARMVWSOEPF-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11726",3948,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM58554","CCOc1ccccc1NC(=O)c1nc(ncc1Cl)S(=O)(=O)Cc1cccc(C)c1","InChI=1S/C21H20ClN3O4S/c1-3-29-18-10-5-4-9-17(18)24-20(26)19-16(22)12-23-21(25-19)30(27,28)13-15-8-6-7-14(2)11-15/h4-12H,3,13H2,1-2H3,(H,24,26)","WHIMNVXRVSWADG-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11727",4105,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66992","CCOc1ccccc1OCCC(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1[N+]([O-])=O","InChI=1S/C21H25N3O7S/c1-2-30-18-8-4-5-9-19(18)31-16-11-21(25)22-12-14-23(15-13-22)32(28,29)20-10-6-3-7-17(20)24(26)27/h3-10H,2,11-16H2,1H3","RMOZJXHYTBVEFS-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11728",3804,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66736","CCOc1ccccc1\\C=C\\c1nc2ccccc2[nH]c1=O","InChI=1S/C18H16N2O2/c1-2-22-17-10-6-3-7-13(17)11-12-16-18(21)20-15-9-5-4-8-14(15)19-16/h3-12H,2H2,1H3,(H,20,21)/b12-11+","CATQBBMKYBYRBS-VAWYXSNFSA-N",{"$nulls":3},">350000"]
["D11729",16489,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478309","CCOc1cnc(C)cc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C29H33N7O2/c1-3-38-26-17-31-19(2)14-23(26)22-6-7-24-25(16-22)33-29(32-24)34-27-15-20(8-9-30-27)18-35-10-12-36(13-11-35)28(37)21-4-5-21/h6-9,14-17,21H,3-5,10-13,18H2,1-2H3,(H2,30,32,33,34)","FUPWLTAHCUDTQN-UHFFFAOYSA-N",null,297]
["D11730",16548,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478311","CCOc1cnc(C)cc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CCC4)ccn3)[nH]c2c1","InChI=1S/C30H35N7O2/c1-3-39-27-18-32-20(2)15-24(27)23-7-8-25-26(17-23)34-30(33-25)35-28-16-21(9-10-31-28)19-36-11-13-37(14-12-36)29(38)22-5-4-6-22/h7-10,15-18,22H,3-6,11-14,19H2,1-2H3,(H2,31,33,34,35)","RTAMTOWVNPHOOG-UHFFFAOYSA-N",null,352]
["D11731",16439,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478308","CCOc1cnc(C)cc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C28H30F3N7O2/c1-3-40-24-16-33-18(2)12-21(24)20-4-5-22-23(14-20)35-27(34-22)36-25-13-19(6-7-32-25)17-37-8-10-38(11-9-37)26(39)15-28(29,30)31/h4-7,12-14,16H,3,8-11,15,17H2,1-2H3,(H2,32,34,35,36)","NMJGFUSSYWFNDP-UHFFFAOYSA-N",null,251]
["D11732",16528,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478310","CCOc1cnc(C)cc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC4CC4)ccn3)[nH]c2c1","InChI=1S/C30H35N7O2/c1-3-39-27-18-32-20(2)14-24(27)23-6-7-25-26(17-23)34-30(33-25)35-28-15-22(8-9-31-28)19-36-10-12-37(13-11-36)29(38)16-21-4-5-21/h6-9,14-15,17-18,21H,3-5,10-13,16,19H2,1-2H3,(H2,31,33,34,35)","ZOXYTHRKNRPERB-UHFFFAOYSA-N",null,324]
["D11733",4387,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66313","CCOc1nc(NCCO)nc(NCCC2=CCCCC2)n1","InChI=1S/C15H25N5O2/c1-2-22-15-19-13(18-14(20-15)17-10-11-21)16-9-8-12-6-4-3-5-7-12/h6,21H,2-5,7-11H2,1H3,(H2,16,17,18,19,20)","PQZUAEJOVNQYGQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11734",11865,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43015","CCOc1nc(ccc1-c1noc(n1)-c1cccs1)-c1ccccc1","InChI=1S/C19H15N3O2S/c1-2-23-18-14(10-11-15(20-18)13-7-4-3-5-8-13)17-21-19(24-22-17)16-9-6-12-25-16/h3-12H,2H2,1H3","GJLOFTBTEQBODT-UHFFFAOYSA-N",{"$nulls":3},29620]
["D11735",4741,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66665","CCOc1nc-2c(Cc3ccccc-23)c(-c2cccs2)c1C#N","InChI=1S/C19H14N2OS/c1-2-22-19-15(11-20)17(16-8-5-9-23-16)14-10-12-6-3-4-7-13(12)18(14)21-19/h3-9H,2,10H2,1H3","NYYFNVZRHCJZAP-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11736",25442,"7e88_L",0.3,"Spike protein S1","DNA polymerase kappa","Homo sapiens","BDBM50318907","CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1","InChI=1S/C33H34N6O6/c1-3-42-32-34-28-15-9-14-27(31(40)43-21(2)44-33(41)45-24-10-5-4-6-11-24)29(28)39(32)20-22-16-18-23(19-17-22)25-12-7-8-13-26(25)30-35-37-38-36-30/h7-9,12-19,21,24H,3-6,10-11,20H2,1-2H3,(H,35,36,37,38)","GHOSNRCGJFBJIB-UHFFFAOYSA-N",null,5600]
["D11737",17906,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570015","CCOc1ncc(cc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D11738",17910,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570019","CCOc1ncc(cc1C(N)=O)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(F)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D11739",14955,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478407","CCOc1nccc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C27H30N8O2/c1-2-37-27-29-10-8-21(32-27)20-5-6-22-23(16-20)31-26(30-22)33-24-15-18(7-9-28-24)17-34-11-13-35(14-12-34)25(36)19-3-4-19/h5-10,15-16,19H,2-4,11-14,17H2,1H3,(H2,28,30,31,33)","RUPZLSYNHWPJNO-UHFFFAOYSA-N",null,8.58]
["D11740",15117,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478409","CCOc1nccc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CCC4)ccn3)[nH]c2c1","InChI=1S/C28H32N8O2/c1-2-38-28-30-11-9-22(33-28)21-6-7-23-24(17-21)32-27(31-23)34-25-16-19(8-10-29-25)18-35-12-14-36(15-13-35)26(37)20-4-3-5-20/h6-11,16-17,20H,2-5,12-15,18H2,1H3,(H2,29,31,32,34)","ONLLNFCNWQMMCQ-UHFFFAOYSA-N",null,11.6]
["D11741",15164,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478408","CCOc1nccc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C26H27F3N8O2/c1-2-39-25-31-8-6-19(34-25)18-3-4-20-21(14-18)33-24(32-20)35-22-13-17(5-7-30-22)16-36-9-11-37(12-10-36)23(38)15-26(27,28)29/h3-8,13-14H,2,9-12,15-16H2,1H3,(H2,30,32,33,35)","SCCGOXIVHMBEEP-UHFFFAOYSA-N",null,13]
["D11742",15200,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478410","CCOc1nccc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC4CC4)ccn3)[nH]c2c1","InChI=1S/C28H32N8O2/c1-2-38-28-30-10-8-22(33-28)21-5-6-23-24(17-21)32-27(31-23)34-25-15-20(7-9-29-25)18-35-11-13-36(14-12-35)26(37)16-19-3-4-19/h5-10,15,17,19H,2-4,11-14,16,18H2,1H3,(H2,29,31,32,34)","CFEXEXRUNLLLMU-UHFFFAOYSA-N",null,14.1]
["D11743",15693,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478406","CCOc1nccc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C28H34N8O3/c1-5-38-26-30-11-9-21(33-26)20-6-7-22-23(17-20)32-25(31-22)34-24-16-19(8-10-29-24)18-35-12-14-36(15-13-35)27(37)39-28(2,3)4/h6-11,16-17H,5,12-15,18H2,1-4H3,(H2,29,31,32,34)","OPWMCSXWAMYIMA-UHFFFAOYSA-N",null,35.7]
["D11744",14693,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478411","CCOc1nccc(n1)-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)CC(F)(F)F)[nH]c2c1",{"$nulls":3},4.68]
["D11745",18310,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478412","CCOc1nccc(n1)-c1ccc2nc(Nc3cc(ccn3)[C@@H](C)N3CCN(CC3)C(=O)CC(F)(F)F)[nH]c2c1",{"$nulls":3},2.98]
["D11746",15347,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478413","CCOc1nccc(n1)-c1ccc2nc(Nc3cc(ccn3)[C@H](C)N3CCN(CC3)C(=O)CC(F)(F)F)[nH]c2c1",{"$nulls":3},19.5]
["D11747",31872,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46405","CCOc1ncccc1C(=O)OCC(=O)Nc1ccc(cc1)-c1nc2ccc(C)cc2s1","InChI=1S/C24H21N3O4S/c1-3-30-22-18(5-4-12-25-22)24(29)31-14-21(28)26-17-9-7-16(8-10-17)23-27-19-11-6-15(2)13-20(19)32-23/h4-13H,3,14H2,1-2H3,(H,26,28)","AETOWNJLSRNPAA-UHFFFAOYSA-N",null,31150,{"$nulls":4},7.8,"22.00 C"]
["D11748",15411,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478866","CCOc1ncnc(-c2ccc3nc(Nc4cc(CN5CCN(CC5)C(=O)C5(CC5)C(F)(F)F)ccn4)[nH]c3c2)c1OC","InChI=1S/C29H31F3N8O3/c1-3-43-25-24(42-2)23(34-17-35-25)19-4-5-20-21(15-19)37-27(36-20)38-22-14-18(6-9-33-22)16-39-10-12-40(13-11-39)26(41)28(7-8-28)29(30,31)32/h4-6,9,14-15,17H,3,7-8,10-13,16H2,1-2H3,(H2,33,36,37,38)","HYWTZNAPWVGOQG-UHFFFAOYSA-N",null,23.7]
["D11749",15745,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478865","CCOc1ncnc(-c2ccc3nc(Nc4cc(CN5CCN(CC5)C(=O)C5CC5)ccn4)[nH]c3c2)c1OC","InChI=1S/C28H32N8O3/c1-3-39-26-25(38-2)24(30-17-31-26)20-6-7-21-22(15-20)33-28(32-21)34-23-14-18(8-9-29-23)16-35-10-12-36(13-11-35)27(37)19-4-5-19/h6-9,14-15,17,19H,3-5,10-13,16H2,1-2H3,(H2,29,32,33,34)","BOHPPAQPHRHONF-UHFFFAOYSA-N",null,41.3]
["D11750",15682,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478864","CCOc1ncnc(-c2ccc3nc(Nc4cc(CN5CCN(CC5)C(=O)CC(F)(F)F)ccn4)[nH]c3c2)c1OC","InChI=1S/C27H29F3N8O3/c1-3-41-25-24(40-2)23(32-16-33-25)18-4-5-19-20(13-18)35-26(34-19)36-21-12-17(6-7-31-21)15-37-8-10-38(11-9-37)22(39)14-27(28,29)30/h4-7,12-13,16H,3,8-11,14-15H2,1-2H3,(H2,31,34,35,36)","VJJIVGPOELYHTN-UHFFFAOYSA-N",null,35]
["D11751",16409,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478863","CCOc1ncnc(-c2ccc3nc(Nc4cc(CN5CCN(CC5)C(=O)OC(C)(C)C)ccn4)[nH]c3c2)c1OC","InChI=1S/C29H36N8O4/c1-6-40-26-25(39-5)24(31-18-32-26)20-7-8-21-22(16-20)34-27(33-21)35-23-15-19(9-10-30-23)17-36-11-13-37(14-12-36)28(38)41-29(2,3)4/h7-10,15-16,18H,6,11-14,17H2,1-5H3,(H2,30,33,34,35)","YQSVWEAAZSMEJG-UHFFFAOYSA-N",null,222]
["D11752",12364,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42896","CCS(=O)(=O)N1CCN(CC1)C1CCC(CC1)c1ccccc1","InChI=1S/C18H28N2O2S/c1-2-23(21,22)20-14-12-19(13-15-20)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-7,17-18H,2,8-15H2,1H3","IPCHIQVNMWSZHV-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11753",15419,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478459","CCS(=O)(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ncncc3OC)c2)CC1","InChI=1S/C24H28N8O3S/c1-3-36(33,34)32-10-8-31(9-11-32)15-17-6-7-26-22(12-17)30-24-28-19-5-4-18(13-20(19)29-24)23-21(35-2)14-25-16-27-23/h4-7,12-14,16H,3,8-11,15H2,1-2H3,(H2,26,28,29,30)","RZAKRFIMTFQCQG-UHFFFAOYSA-N",null,24.3]
["D11754",4344,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66284","CCS(=O)(=O)Nc1ccc(Cc2ccncc2)cc1","InChI=1S/C14H16N2O2S/c1-2-19(17,18)16-14-5-3-12(4-6-14)11-13-7-9-15-10-8-13/h3-10,16H,2,11H2,1H3","URHCPLLLYQZREH-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11755",4360,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66295","CCS(=O)(=O)c1nc2ccccc2n1Cc1ccccc1Cl","InChI=1S/C16H15ClN2O2S/c1-2-22(20,21)16-18-14-9-5-6-10-15(14)19(16)11-12-7-3-4-8-13(12)17/h3-10H,2,11H2,1H3","JICNGQWIIRKMMM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11756",4561,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66513","CCS(=O)(=O)c1nc2ccccc2n1Cc1ccccn1","InChI=1S/C15H15N3O2S/c1-2-21(19,20)15-17-13-8-3-4-9-14(13)18(15)11-12-7-5-6-10-16-12/h3-10H,2,11H2,1H3","IKYGYYSZDFQTLD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11757",4775,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM63969","CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(C)cc1","InChI=1S/C14H14ClN3O3S/c1-3-22(20,21)14-16-8-11(15)12(18-14)13(19)17-10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,17,19)","LRHCORWGZWHMCH-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11758",3943,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM54838","CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N(C)c1ccccc1","InChI=1S/C20H19ClN4O5S2/c1-3-31(27,28)20-22-13-17(21)18(24-20)19(26)23-14-9-11-16(12-10-14)32(29,30)25(2)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,23,26)","BQRKTURWLVUUPM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11759",3941,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM59071","CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(C)CC1","InChI=1S/C19H23ClN4O5S2/c1-3-30(26,27)19-21-12-16(20)17(23-19)18(25)22-14-4-6-15(7-5-14)31(28,29)24-10-8-13(2)9-11-24/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,25)","REMLTJGOONPABB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11760",3942,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM59072","CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC(C)C1","InChI=1S/C19H23ClN4O5S2/c1-3-30(26,27)19-21-11-16(20)17(23-19)18(25)22-14-6-8-15(9-7-14)31(28,29)24-10-4-5-13(2)12-24/h6-9,11,13H,3-5,10,12H2,1-2H3,(H,22,25)","UFJKFDNVGGFWJO-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11761",4783,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66702","CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccccc1OC","InChI=1S/C14H14ClN3O4S/c1-3-23(20,21)14-16-8-9(15)12(18-14)13(19)17-10-6-4-5-7-11(10)22-2/h4-8H,3H2,1-2H3,(H,17,19)","YZKZEICZXRAHQG-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11762",4445,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66423","CCSc1ccc(cc1)-c1nn(cc1\\C=C(\\C#N)C(=O)NC)-c1ccccc1","InChI=1S/C22H20N4OS/c1-3-28-20-11-9-16(10-12-20)21-18(13-17(14-23)22(27)24-2)15-26(25-21)19-7-5-4-6-8-19/h4-13,15H,3H2,1-2H3,(H,24,27)/b17-13-","YXHFUHKQZRKBOM-LGMDPLHJSA-N",{"$nulls":3},">350000"]
["D11763",4713,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66642","CCSc1nc(NCCN(C)C)c2c3CC(C)(CC)OCc3sc2n1","InChI=1S/C18H28N4OS2/c1-6-18(3)10-12-13(11-23-18)25-16-14(12)15(19-8-9-22(4)5)20-17(21-16)24-7-2/h6-11H2,1-5H3,(H,19,20,21)","LMPOGEWTVZMRJB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11764",3946,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM65895","CCSc1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccc(F)cc2)s1","InChI=1S/C16H13ClFN5O3S3/c1-2-27-16-23-22-14(28-16)21-13(24)12-11(17)7-19-15(20-12)29(25,26)8-9-3-5-10(18)6-4-9/h3-7H,2,8H2,1H3,(H,21,22,24)","BVJXTFMKVNPXMZ-UHFFFAOYSA-N",{"$nulls":3},47250]
["D11765",606,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089689","CC[C@@H](C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O","InChI=1S/C45H59N7O10/c1-5-27(2)38-42(58)47-35(23-18-29-14-19-32(53)20-15-29)43(59)52(4)28(3)39(55)48-36(25-30-11-7-6-8-12-30)40(56)46-24-10-9-13-34(41(57)51-38)49-45(62)50-37(44(60)61)26-31-16-21-33(54)22-17-31/h6-8,11-12,14-17,19-22,27-28,34-38,53-54H,5,9-10,13,18,23-26H2,1-4H3,(H,46,56)(H,47,58)(H,48,55)(H,51,57)(H,60,61)(H2,49,50,62)/t27-,28+,34-,35+,36+,37+,38+/m1/s1","KCAKUFQSCADGHZ-JNFDXLRCSA-N",null,400]
["D11766",423,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326395","CC[C@@H](CN)CC1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C17H22N4O2/c1-2-12(9-18)7-13-8-17(13,16(22)23)14-10-21(11-20-14)15-5-3-4-6-19-15/h3-6,10-13H,2,7-9,18H2,1H3,(H,22,23)/t12-,13?,17-/m1/s1","BEUXTDNZDSFKGE-HTCLMOQTSA-N",null,8.3]
["D11767",13629,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19259367","CC[C@@H](CN)CC1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccn2","InChI=1S/C17H22N4O2/c1-2-12(9-18)7-13-8-17(13,16(22)23)14-10-21(11-20-14)15-5-3-4-6-19-15/h3-6,10-13H,2,7-9,18H2,1H3,(H,22,23)/t12-,13?,17-/m1/s2","BEUXTDNZDSFKGE-HTCLMOQTSA-N",-8377.59338473361,44.8026546191174,33624.8697537244,{"$nulls":3},6.7372749122741]
["D11768",603,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326396","CC[C@@H](CN)C[C@@H]1C[C@@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C17H22N4O2/c1-2-12(9-18)7-13-8-17(13,16(22)23)14-10-21(11-20-14)15-5-3-4-6-19-15/h3-6,10-13H,2,7-9,18H2,1H3,(H,22,23)/t12-,13-,17+/m1/s1","BEUXTDNZDSFKGE-XNJGSVPQSA-N",null,360]
["D11769",13809,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B3","Homo sapiens","BDM19294473","CC[C@@H](CN)C[C@@H]1C[C@@]1(C(O)=O)c1cn(cn1)-c1ccccn2","InChI=1S/C17H22N4O2/c1-2-12(9-18)7-13-8-17(13,16(22)23)14-10-21(11-20-14)15-5-3-4-6-19-15/h3-6,10-13H,2,7-9,18H2,1H3,(H,22,23)/t12-,13-,17+/m1/s2","BEUXTDNZDSFKGE-XNJGSVPQSA-N",-26766.4624379452,2179.84215749895,33739.0778089119,{"$nulls":3},6.73735435920574]
["D11770",415,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326397","CC[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C[C@]1(C(=O)OC)c1cn(cn1)-c1ccccc1","InChI=1S/C24H33N3O4/c1-6-17(14-25-22(29)31-23(2,3)4)12-18-13-24(18,21(28)30-5)20-15-27(16-26-20)19-10-8-7-9-11-19/h7-11,15-18H,6,12-14H2,1-5H3,(H,25,29)/t17-,18+,24-/m1/s1","XEAMWQOAIXEZGF-NXMSCROESA-N",null,7.9]
["D11771",13621,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19257807","CC[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C[C@]1(C(=O)OC)c1cn(cn1)-c1ccccc2","InChI=1S/C24H33N3O4/c1-6-17(14-25-22(29)31-23(2,3)4)12-18-13-24(18,21(28)30-5)20-15-27(16-26-20)19-10-8-7-9-11-19/h7-11,15-18H,6,12-14H2,1-5H3,(H,25,29)/t17-,18+,24-/m1/s2","XEAMWQOAIXEZGF-NXMSCROESA-N",-7560.31031570191,42.5544239837027,33619.7938401605,{"$nulls":3},6.73727138129936]
["D11772",14534,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397657","CC[C@@H](Nc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)C","InChI=1S/C21H24N6O2/c1-4-16(21(29)27(2)3)25-17-9-14(7-8-15(17)10-22)18-11-24-19(12-23-18)26-20(28)13-5-6-13/h7-9,11-13,16,25H,4-6H2,1-3H3,(H,24,26,28)/t16-/m1/s1","PTXXFKSLPIFMLU-MRXNPFEDSA-N",null,3.16]
["D11773",16699,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397662","CC[C@@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)C","InChI=1S/C20H23N7O2/c1-4-14(20(29)27(2)3)25-15-7-13(9-22-16(15)8-21)17-10-24-18(11-23-17)26-19(28)12-5-6-12/h7,9-12,14,25H,4-6H2,1-3H3,(H,24,26,28)/t14-/m1/s1","RWKPXTMKESNKIJ-CQSZACIVSA-N",null,501]
["D11774",3597,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50305056","CC[C@@H]1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1","InChI=1S/C19H23ClN4O/c1-3-16-6-4-5-9-24(16)19(25)14-10-17(20)18(22-11-14)23-15-8-7-13(2)21-12-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,22,23)/t16-/m1/s1","QABUURICQJOWID-MRXNPFEDSA-N",null,">10000"]
["D11775",3623,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50072172","CC[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O","InChI=1S/C22H23NO5/c1-2-12-18(20(24)25)19(12)22(23,21(26)27)11-15-13-7-3-5-9-16(13)28-17-10-6-4-8-14(15)17/h3-10,12,15,18-19H,2,11,23H2,1H3,(H,24,25)(H,26,27)/t12-,18+,19+,22?/m1/s1","NBAKIHCDPVZWRB-LFNZXSRPSA-N",null,19660]
["D11776",371,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089687","CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](CCCNC(N)=N)C(O)=O","InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26-,30+,31-,32-,33-,34-/m0/s1","RAUPUVQHUFXDQT-IYLLGVDMSA-N",null,1.5]
["D11777",28481,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50561186","CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(N)=O",{"$nulls":5}," 3.8"]
["D11778",28483,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Homo sapiens","BDBM50561183","CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N2)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O","InChI=1S/C146H238N44O41S6/c1-16-77(14)115-142(230)163-62-109(196)165-87(40-43-111(198)199)125(213)171-89(42-45-113(202)203)127(215)183-100-65-232-233-66-101-137(225)172-88(41-44-112(200)201)126(214)177-95(56-75(10)11)130(218)181-99(64-192)134(222)187-102(67-234-236-69-104(185-123(211)83(169-135(100)223)31-21-23-47-148)139(227)188-114(76(12)13)143(231)190-51-27-35-106(190)141(229)173-90(116(151)204)57-80-36-38-81(193)39-37-80)136(224)170-85(33-25-49-159-145(154)155)122(210)180-98(63-191)133(221)176-92(53-72(4)5)119(207)162-61-110(197)166-93(54-73(6)7)128(216)175-91(52-71(2)3)118(206)161-60-108(195)164-82(30-20-22-46-147)120(208)184-105(140(228)189-115)70-237-235-68-103(186-131(219)96(174-117(205)78(15)149)58-79-28-18-17-19-29-79)138(226)179-97(59-107(150)194)132(220)178-94(55-74(8)9)129(217)168-84(32-24-48-158-144(152)153)121(209)167-86(124(212)182-101)34-26-50-160-146(156)157/h17-19,28-29,36-39,71-78,82-106,114-115,191-193H,16,20-27,30-35,40-70,147-149H2,1-15H3,(H2,150,194)(H2,151,204)(H,161,206)(H,162,207)(H,163,230)(H,164,195)(H,165,196)(H,166,197)(H,167,209)(H,168,217)(H,169,223)(H,170,224)(H,171,213)(H,172,225)(H,173,229)(H,174,205)(H,175,216)(H,176,221)(H,177,214)(H,178,220)(H,179,226)(H,180,210)(H,181,218)(H,182,212)(H,183,215)(H,184,208)(H,185,211)(H,186,219)(H,187,222)(H,188,227)(H,189,228)(H,198,199)(H,200,201)(H,202,203)(H4,152,153,158)(H4,154,155,159)(H4,156,157,160)/t77-,78-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,114-,115-/m0/s1","QGQPJWMMJWVWFR-XMTLNCGUSA-N",{"$nulls":3}," 1.7"]
["D11779",28478,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50561187","CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N2)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O","InChI=1S/C146H237N43O42S6/c1-16-77(14)115-141(228)162-62-109(195)164-87(40-43-111(197)198)124(211)170-89(42-45-113(201)202)126(213)182-100-65-232-233-66-101-136(223)171-88(41-44-112(199)200)125(212)175-94(56-75(10)11)129(216)180-99(64-191)133(220)186-102(67-234-236-69-104(184-122(209)83(168-134(100)221)31-21-23-47-148)138(225)187-114(76(12)13)142(229)189-51-27-35-106(189)140(227)178-97(143(230)231)58-80-36-38-81(192)39-37-80)135(222)169-85(33-25-49-158-145(153)154)121(208)179-98(63-190)132(219)174-91(53-72(4)5)118(205)161-61-110(196)165-92(54-73(6)7)127(214)173-90(52-71(2)3)117(204)160-60-108(194)163-82(30-20-22-46-147)119(206)183-105(139(226)188-115)70-237-235-68-103(185-130(217)95(172-116(203)78(15)149)57-79-28-18-17-19-29-79)137(224)177-96(59-107(150)193)131(218)176-93(55-74(8)9)128(215)167-84(32-24-48-157-144(151)152)120(207)166-86(123(210)181-101)34-26-50-159-146(155)156/h17-19,28-29,36-39,71-78,82-106,114-115,190-192H,16,20-27,30-35,40-70,147-149H2,1-15H3,(H2,150,193)(H,160,204)(H,161,205)(H,162,228)(H,163,194)(H,164,195)(H,165,196)(H,166,207)(H,167,215)(H,168,221)(H,169,222)(H,170,211)(H,171,223)(H,172,203)(H,173,214)(H,174,219)(H,175,212)(H,176,218)(H,177,224)(H,178,227)(H,179,208)(H,180,216)(H,181,210)(H,182,213)(H,183,206)(H,184,209)(H,185,217)(H,186,220)(H,187,225)(H,188,226)(H,197,198)(H,199,200)(H,201,202)(H,230,231)(H4,151,152,157)(H4,153,154,158)(H4,155,156,159)/t77-,78-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,114-,115-/m0/s1","RYSGMSZOVDOHJH-XMTLNCGUSA-N",{"$nulls":3},2600]
["D11780",28485,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50561188","CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC1=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N2)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O","InChI=1S/C146H237N43O42S6/c1-16-77(14)115-141(228)162-62-109(195)164-87(40-43-111(197)198)124(211)166-83(31-21-23-47-148)122(209)181-100-65-232-233-66-101-135(222)170-88(41-44-112(199)200)125(212)175-94(56-75(10)11)129(216)180-99(64-191)133(220)186-102(67-234-236-69-104(184-126(213)89(171-136(100)223)42-45-113(201)202)138(225)187-114(76(12)13)142(229)189-51-27-35-106(189)140(227)178-97(143(230)231)58-80-36-38-81(192)39-37-80)134(221)169-85(33-25-49-158-145(153)154)121(208)179-98(63-190)132(219)174-91(53-72(4)5)118(205)161-61-110(196)165-92(54-73(6)7)127(214)173-90(52-71(2)3)117(204)160-60-108(194)163-82(30-20-22-46-147)119(206)183-105(139(226)188-115)70-237-235-68-103(185-130(217)95(172-116(203)78(15)149)57-79-28-18-17-19-29-79)137(224)177-96(59-107(150)193)131(218)176-93(55-74(8)9)128(215)168-84(32-24-48-157-144(151)152)120(207)167-86(123(210)182-101)34-26-50-159-146(155)156/h17-19,28-29,36-39,71-78,82-106,114-115,190-192H,16,20-27,30-35,40-70,147-149H2,1-15H3,(H2,150,193)(H,160,204)(H,161,205)(H,162,228)(H,163,194)(H,164,195)(H,165,196)(H,166,211)(H,167,207)(H,168,215)(H,169,221)(H,170,222)(H,171,223)(H,172,203)(H,173,214)(H,174,219)(H,175,212)(H,176,218)(H,177,224)(H,178,227)(H,179,208)(H,180,216)(H,181,209)(H,182,210)(H,183,206)(H,184,213)(H,185,217)(H,186,220)(H,187,225)(H,188,226)(H,197,198)(H,199,200)(H,201,202)(H,230,231)(H4,151,152,157)(H4,153,154,158)(H4,155,156,159)/t77-,78-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,114-,115-/m0/s1","WDVNVILFNRMATF-XMTLNCGUSA-N",{"$nulls":3},380]
["D11781",28482,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50561184","CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCSC)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O",{"$nulls":5}," 1.1"]
["D11782",25789,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Valyl-tRNA synthetase 2","Homo sapiens","BDBM50093003","CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)CC(=O)N[C@]1([C@@H](O)C[C@@H]2[C@H]1CN(C)C=C2C(N)=O)C(O)=O","InChI=1S/C19H31N5O8S/c1-4-9(2)15(20)17(28)23-33(31,32)8-14(26)22-19(18(29)30)12-7-24(3)6-11(16(21)27)10(12)5-13(19)25/h6,9-10,12-13,15,25H,4-5,7-8,20H2,1-3H3,(H2,21,27)(H,22,26)(H,23,28)(H,29,30)/t9-,10-,12+,13-,15-,19+/m0/s1","HDXFGBFIEQUETL-IVWWPFAYSA-N",null,126]
["D11783",25939,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Sarcoplasmic/endoplasmic reticulum calcium ATPase 2","Rattus norvegicus","BDBM50409816","CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C\\C=C(C)\\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\\C=C\\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2","InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1","AZSNMRSAGSSBNP-XPNPUAGNSA-N",null,6720]
["D11784",444,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326398","CC[C@H](CN)C[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccc1","InChI=1S/C18H23N3O2/c1-2-13(10-19)8-14-9-18(14,17(22)23)16-11-21(12-20-16)15-6-4-3-5-7-15/h3-7,11-14H,2,8-10,19H2,1H3,(H,22,23)/t13-,14-,18+/m0/s1","AUTWIRMPGHMXAD-SUNYJGFJSA-N",null,12]
["D11785",13650,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19263463","CC[C@H](CN)C[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccc2","InChI=1S/C18H23N3O2/c1-2-13(10-19)8-14-9-18(14,17(22)23)16-11-21(12-20-16)15-6-4-3-5-7-15/h3-7,11-14H,2,8-10,19H2,1H3,(H,22,23)/t13-,14-,18+/m0/s2","AUTWIRMPGHMXAD-SUNYJGFJSA-N",-10522.9614409416,50.7042600370812,33638.1940268296,{"$nulls":3},6.73728418108279]
["D11786",31409,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Cyclin-dependent kinase 11A","Homo sapiens","BDBM7533","CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1","InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1","BTIHMVBBUGXLCJ-OAHLLOKOSA-N",null,null,">10000"]
["D11787",664,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197552","CC[C@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C","InChI=1S/C20H38N4O5S/c1-5-14(23-30(28,29)24-15(18(26)27)8-6-7-11-21)17(25)22-16-12-13-9-10-20(16,4)19(13,2)3/h13-16,23-24H,5-12,21H2,1-4H3,(H,22,25)(H,26,27)/t13-,14+,15+,16+,20+/m1/s1","WCKOBJUGMBTSIE-HYUNPYRHSA-N",null,2300]
["D11788",15367,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397654","CC[C@H](Nc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)C","InChI=1S/C21H24N6O2/c1-4-16(21(29)27(2)3)25-17-9-14(7-8-15(17)10-22)18-11-24-19(12-23-18)26-20(28)13-5-6-13/h7-9,11-13,16,25H,4-6H2,1-3H3,(H,24,26,28)/t16-/m0/s1","PTXXFKSLPIFMLU-INIZCTEOSA-N",null,20]
["D11789",15736,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397682","CC[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)CC#N","InChI=1S/C21H22N8O2/c1-3-15(21(31)29(2)7-6-22)27-16-8-14(10-24-17(16)9-23)18-11-26-19(12-25-18)28-20(30)13-4-5-13/h8,10-13,15,27H,3-5,7H2,1-2H3,(H,26,28,30)/t15-/m0/s1","UDFCREMHYQCDIV-HNNXBMFYSA-N",null,39.8]
["D11790",15360,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397687","CC[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)CCF","InChI=1S/C21H24FN7O2/c1-3-15(21(31)29(2)7-6-22)27-16-8-14(10-24-17(16)9-23)18-11-26-19(12-25-18)28-20(30)13-4-5-13/h8,10-13,15,27H,3-7H2,1-2H3,(H,26,28,30)/t15-/m0/s1","OKBWXSALHWXZGY-HNNXBMFYSA-N",null,20]
["D11791",15950,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397701","CC[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)CCO","InChI=1S/C21H25N7O3/c1-3-15(21(31)28(2)6-7-29)26-16-8-14(10-23-17(16)9-22)18-11-25-19(12-24-18)27-20(30)13-4-5-13/h8,10-13,15,26,29H,3-7H2,1-2H3,(H,25,27,30)/t15-/m0/s1","XGGHYTBLDKZVLP-HNNXBMFYSA-N",null,79.4]
["D11792",15882,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397751","CC[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)NCC(F)F","InChI=1S/C20H21F2N7O2/c1-2-13(20(31)27-9-17(21)22)28-14-5-12(7-24-15(14)6-23)16-8-26-18(10-25-16)29-19(30)11-3-4-11/h5,7-8,10-11,13,17,28H,2-4,9H2,1H3,(H,27,31)(H,26,29,30)/t13-/m0/s1","MVXAMJHOURIGHS-ZDUSSCGKSA-N",null,63.1]
["D11793",16123,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397758","CC[C@H](Nc1cc(ncc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)C","InChI=1S/C20H23N7O2/c1-4-14(20(29)27(2)3)25-15-7-16(22-9-13(15)8-21)17-10-24-18(11-23-17)26-19(28)12-5-6-12/h7,9-12,14H,4-6H2,1-3H3,(H,22,25)(H,24,26,28)/t14-/m0/s1","SHLRBIVZKAAIQD-AWEZNQCLSA-N",null,100]
["D11794",426,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109239","CC[C@H]1CC[C@@H](CC1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C17H29N3O2/c1-2-13-5-7-16(8-6-13)20-11-15(19-12-20)10-14(17(21)22)4-3-9-18/h11-14,16H,2-10,18H2,1H3,(H,21,22)/t13-,14?,16-","FDZCUYWSKODDEJ-AHJVLWBFSA-N",null,8.8]
["D11795",13632,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19259952","CC[C@H]1CC[C@@H](CC1)n1cnc(CC(CCCN)C(O)=O)c2","InChI=1S/C17H29N3O2/c1-2-13-5-7-16(8-6-13)20-11-15(19-12-20)10-14(17(21)22)4-3-9-18/h11-14,16H,2-10,18H2,1H3,(H,21,22)/t13-,14?,16-","FDZCUYWSKODDEJ-AHJVLWBFSA-N",-8684.07453562041,45.6457411073979,33626.7732213109,{"$nulls":3},6.73727623638963]
["D11796",4227,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM38871","CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc12","InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m0/s1","AUVVAXYIELKVAI-CKBKHPSWSA-N",{"$nulls":3},">350000"]
["D11797",25870,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM25121","CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O","InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1","XQVVPGYIWAGRNI-JOCHJYFZSA-N",null,null,">10000"]
["D11798",31632,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50403869","CC[C@H]1NC[C@H](O)[C@@H]1O","InChI=1S/C6H13NO2/c1-2-4-6(9)5(8)3-7-4/h4-9H,2-3H2,1H3/t4-,5+,6-/m1/s1","DPKVFORGPDPGQG-NGJCXOISSA-N",53000]
["D11799",32125,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46416","CC[n+]1ccccc1\\C=C\\c1ccc(cc1)N(C)C","InChI=1S/C17H21N2/c1-4-19-14-6-5-7-17(19)13-10-15-8-11-16(12-9-15)18(2)3/h5-14H,4H2,1-3H3/q+1","VZWMLCVBIUHDKX-UHFFFAOYSA-N",null,">55700"]
["D11800",32208,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396691","CC\\C=C/C[C@@H]1[C@@H](CC(O)=O)CCC1=O","InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1","ZNJFBWYDHIGLCU-HWKXXFMVSA-N",37000]
["D11801",11507,"7lo4_B",0.3,"Spike protein S1","Dual specificity phosphatase Cdc25B","Mus musculus","BDM50104703","CC\\C=C\\C\\C=C\\C\\C=C\\CCCCCCCCOC(=O)c1c(O)oc(CO)c1O","InChI=1S/C24H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-23(27)21-22(26)20(19-25)30-24(21)28/h3-4,6-7,9-10,25-26,28H,2,5,8,11-19H2,1H3/b4-3+,7-6+,10-9+","NNEYQKYFQFCLFC-IUQGRGSQSA-N",null,3300]
["D11802",32057,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46347","CCc1c(C)c2ccc(OCC(=O)OC(C)C)c(C)c2oc1=O","InChI=1S/C18H22O5/c1-6-13-11(4)14-7-8-15(12(5)17(14)23-18(13)20)21-9-16(19)22-10(2)3/h7-8,10H,6,9H2,1-5H3","GYGUKFHVTLLUMK-UHFFFAOYSA-N",null,">55700"]
["D11803",12253,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM6561","CCc1c(C)nc2c(C)cccc2c1SCCC#N","InChI=1S/C16H18N2S/c1-4-13-12(3)18-15-11(2)7-5-8-14(15)16(13)19-10-6-9-17/h5,7-8H,4,6,10H2,1-3H3","BLCJFMITZKDTAW-UHFFFAOYSA-N",null,13602]
["D11804",32210,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM50427622","CCc1c(CCC(O)=O)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12","InChI=1S/C21H20ClNO4/c1-3-16-17-12-15(27-2)8-9-19(17)23(18(16)10-11-20(24)25)21(26)13-4-6-14(22)7-5-13/h4-9,12H,3,10-11H2,1-2H3,(H,24,25)","JBMSOEFHPCTJTH-UHFFFAOYSA-N",null," 1.95"]
["D11805",3818,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66748","CCc1cc(-c2n[nH]cc2-c2ccc(OC)cc2)c(O)cc1O","InChI=1S/C18H18N2O3/c1-3-11-8-14(17(22)9-16(11)21)18-15(10-19-20-18)12-4-6-13(23-2)7-5-12/h4-10,21-22H,3H2,1-2H3,(H,19,20)","FZEBHPGETBDBRI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11806",4034,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66935","CCc1cc(=O)oc2cc(C)cc(OCC(=O)NC3CCN(Cc4ccccc4)CC3)c12","InChI=1S/C26H30N2O4/c1-3-20-15-25(30)32-23-14-18(2)13-22(26(20)23)31-17-24(29)27-21-9-11-28(12-10-21)16-19-7-5-4-6-8-19/h4-8,13-15,21H,3,9-12,16-17H2,1-2H3,(H,27,29)","POFTVZXAWLFISM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11807",15163,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478634","CCc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C27H30N8O/c1-2-21-15-23(30-17-29-21)20-5-6-22-24(14-20)32-27(31-22)33-25-13-18(7-8-28-25)16-34-9-11-35(12-10-34)26(36)19-3-4-19/h5-8,13-15,17,19H,2-4,9-12,16H2,1H3,(H2,28,31,32,33)","FYSJWRAKIIBFTE-UHFFFAOYSA-N",null,13]
["D11808",15127,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478633","CCc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C26H27F3N8O/c1-2-19-13-21(32-16-31-19)18-3-4-20-22(12-18)34-25(33-20)35-23-11-17(5-6-30-23)15-36-7-9-37(10-8-36)24(38)14-26(27,28)29/h3-6,11-13,16H,2,7-10,14-15H2,1H3,(H2,30,33,34,35)","BJGSAJPTBGYHHD-UHFFFAOYSA-N",null,12]
["D11809",15303,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478632","CCc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C28H34N8O2/c1-5-21-16-23(31-18-30-21)20-6-7-22-24(15-20)33-26(32-22)34-25-14-19(8-9-29-25)17-35-10-12-36(13-11-35)27(37)38-28(2,3)4/h6-9,14-16,18H,5,10-13,17H2,1-4H3,(H2,29,32,33,34)","FSJDWNNSVKRTRB-UHFFFAOYSA-N",null,17]
["D11810",3996,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66899","CCc1cc(sc1C)C(=O)OCC(=O)N1CCC(=N1)c1ccccc1","InChI=1S/C19H20N2O3S/c1-3-14-11-17(25-13(14)2)19(23)24-12-18(22)21-10-9-16(20-21)15-7-5-4-6-8-15/h4-8,11H,3,9-10,12H2,1-2H3","PTGPLMZMHWFKRC-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11811",31745,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43549","CCc1cc2c(NCCC(O)=O)nc(C)nc2s1","InChI=1S/C12H15N3O2S/c1-3-8-6-9-11(13-5-4-10(16)17)14-7(2)15-12(9)18-8/h6H,3-5H2,1-2H3,(H,16,17)(H,13,14,15)","OUGFIJKNYWLKDZ-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D11812",11984,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43116","CCc1cc2c(cc1OC(C)C(=O)NCCO)occ(-c1nc(C)cs1)c2=O","InChI=1S/C20H22N2O5S/c1-4-13-7-14-17(8-16(13)27-12(3)19(25)21-5-6-23)26-9-15(18(14)24)20-22-11(2)10-28-20/h7-10,12,23H,4-6H2,1-3H3,(H,21,25)","PTSWUJNZLIOELF-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11813",4501,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66468","CCc1cc2c(cc1OCC(=O)Nc1cccc(C)c1)oc(C)c(-c1cnn(c1)-c1ccccc1)c2=O","InChI=1S/C30H27N3O4/c1-4-21-14-25-27(15-26(21)36-18-28(34)32-23-10-8-9-19(2)13-23)37-20(3)29(30(25)35)22-16-31-33(17-22)24-11-6-5-7-12-24/h5-17H,4,18H2,1-3H3,(H,32,34)","ZVSKRYAWXGFMSC-UHFFFAOYSA-N",{"$nulls":3},66990]
["D11814",11835,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42988","CCc1cc2cc(sc2s1)C(=O)Nc1ccc(C)cc1","InChI=1S/C16H15NOS2/c1-3-13-8-11-9-14(20-16(11)19-13)15(18)17-12-6-4-10(2)5-7-12/h4-9H,3H2,1-2H3,(H,17,18)","DXHJEQMKKBQGDG-UHFFFAOYSA-N",{"$nulls":3},50830]
["D11815",12351,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42885","CCc1cc2cc3OCOc3cc2nc1SCC(=O)Nc1cc(C)on1","InChI=1S/C18H17N3O4S/c1-3-11-5-12-6-14-15(24-9-23-14)7-13(12)19-18(11)26-8-17(22)20-16-4-10(2)25-21-16/h4-7H,3,8-9H2,1-2H3,(H,20,21,22)","XXLKWSHUBUSAPU-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11816",4425,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM39692","CCc1ccc(CN=CCC(=O)c2ccc(Br)cc2)cc1","InChI=1S/C18H18BrNO/c1-2-14-3-5-15(6-4-14)13-20-12-11-18(21)16-7-9-17(19)10-8-16/h3-10,12H,2,11,13H2,1H3","KKOMWGRSSYOGPI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11817",3945,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM54839","CCc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1","InChI=1S/C20H18ClN3O3S/c1-2-14-8-10-16(11-9-14)23-19(25)18-17(21)12-22-20(24-18)28(26,27)13-15-6-4-3-5-7-15/h3-12H,2,13H2,1H3,(H,23,25)","MGUHUZDKJLVYSS-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11818",3915,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM61135","CCc1ccc(Nc2n[n+](c(\\C=C\\c3ccccc3)s2)-c2ccccc2)cc1","InChI=1S/C24H22N3S/c1-2-19-13-16-21(17-14-19)25-24-26-27(22-11-7-4-8-12-22)23(28-24)18-15-20-9-5-3-6-10-20/h3-18H,2H2,1H3,(H,25,26)/q+1/b18-15+","FXUASFZESMAYAS-OBGWFSINSA-N",{"$nulls":3},10910]
["D11819",11917,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43063","CCc1ccc(OCC(=O)NNC(=O)CSc2ncnc3sc(C)c(C)c23)cc1","InChI=1S/C20H22N4O3S2/c1-4-14-5-7-15(8-6-14)27-9-16(25)23-24-17(26)10-28-19-18-12(2)13(3)29-20(18)22-11-21-19/h5-8,11H,4,9-10H2,1-3H3,(H,23,25)(H,24,26)","UHXPPBAEFGCSFQ-UHFFFAOYSA-N",{"$nulls":3},33750]
["D11820",4314,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66412","CCc1ccc(Oc2coc3cc(OCC(=O)Nc4cc(C)ccc4C)ccc3c2=O)cc1","InChI=1S/C27H25NO5/c1-4-19-7-9-20(10-8-19)33-25-15-32-24-14-21(11-12-22(24)27(25)30)31-16-26(29)28-23-13-17(2)5-6-18(23)3/h5-15H,4,16H2,1-3H3,(H,28,29)","QOXYGLLNVGFXJW-UHFFFAOYSA-N",{"$nulls":3},37360]
["D11821",12154,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM63568","CCc1ccc(cc1)-c1nc(CSCC(=O)NCc2ccco2)c(C)o1","InChI=1S/C20H22N2O3S/c1-3-15-6-8-16(9-7-15)20-22-18(14(2)25-20)12-26-13-19(23)21-11-17-5-4-10-24-17/h4-10H,3,11-13H2,1-2H3,(H,21,23)","QIHUKAZMXGXJAK-UHFFFAOYSA-N",null,6432]
["D11822",496,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326346","CCc1ccc(cc1)-n1cnc(c1)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC","InChI=1S/C29H41N3O6/c1-9-20-12-14-22(15-13-20)31-18-23(30-19-31)29(24(33)36-8)17-21(29)11-10-16-32(25(34)37-27(2,3)4)26(35)38-28(5,6)7/h12-15,18-19,21H,9-11,16-17H2,1-8H3","LLJRRPLGGDYOEA-UHFFFAOYSA-N",null,31]
["D11823",3594,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50177053","CCc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O","InChI=1S/C19H18N4OS/c1-4-12-5-7-13(8-6-12)23-11-21-16-15-14(22(2)3)9-10-20-18(15)25-17(16)19(23)24/h5-11H,4H2,1-3H3","VCUKKMIXURRDKL-UHFFFAOYSA-N",null,">10000"]
["D11824",4246,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM29630","CCc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)Nc2c1c(=O)nc1nc(C)[nH]n21","InChI=1S/C23H25N5O2/c1-5-13-6-8-14(9-7-13)17-18-15(10-23(3,4)11-16(18)29)25-20-19(17)21(30)26-22-24-12(2)27-28(20)22/h6-9,17,25H,5,10-11H2,1-4H3,(H,24,26,27,30)","HZHKNLOXOFJJEO-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11825",12027,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43158","CCc1ccc(cc1)N(C(C(=O)NC(C)(C)C)c1cccnc1)C(=O)c1csnn1","InChI=1S/C22H25N5O2S/c1-5-15-8-10-17(11-9-15)27(21(29)18-14-30-26-25-18)19(16-7-6-12-23-13-16)20(28)24-22(2,3)4/h6-14,19H,5H2,1-4H3,(H,24,28)","FJACYIRUOGXDOJ-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11826",12390,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42914","CCc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccs1","InChI=1S/C20H19N3OS2/c1-2-14-5-7-15(8-6-14)22-12-23-19(24)10-16(18-4-3-9-25-18)17(11-21)20(23)26-13-22/h3-9,16H,2,10,12-13H2,1H3","GECNFQSCKZVWLR-UHFFFAOYSA-N",{"$nulls":3},77770]
["D11827",11897,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43044","CCc1ccc2c(c1)cc(CN(C1CC1)C(=S)Nc1ccc(Cl)cc1)c1nnnn21","InChI=1S/C22H21ClN6S/c1-2-14-3-10-20-15(11-14)12-16(21-25-26-27-29(20)21)13-28(19-8-9-19)22(30)24-18-6-4-17(23)5-7-18/h3-7,10-12,19H,2,8-9,13H2,1H3,(H,24,30)","MYKCPMBAMOEMBY-UHFFFAOYSA-N",{"$nulls":3},11630]
["D11828",31549,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","PITSLRE serine/threonine-protein kinase CDC2L1","Homo sapiens","BDBM50532781","CCc1ccc2n(C)c(C)c(C(=O)Nc3ccc(Oc4ncnc5cc(OC)c(OC)cc45)c(F)c3)c(=O)c2c1","InChI=1S/C30H27FN4O5/c1-6-17-7-9-23-20(11-17)28(36)27(16(2)35(23)3)29(37)34-18-8-10-24(21(31)12-18)40-30-19-13-25(38-4)26(39-5)14-22(19)32-15-33-30/h7-15H,6H2,1-5H3,(H,34,37)","IKENQUDOTQBCJH-UHFFFAOYSA-N",null,null,470]
["D11829",4056,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66950","CCc1ccc2nc(sc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1","InChI=1S/C30H34N4O3S2/c1-4-22-10-15-27-28(20-22)38-30(31-27)34(18-7-17-32(2)3)29(35)24-11-13-26(14-12-24)39(36,37)33-19-16-23-8-5-6-9-25(23)21-33/h5-6,8-15,20H,4,7,16-19,21H2,1-3H3","YLRRAAAQNUKZCI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11830",3855,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66781","CCc1cccc(C)c1Nc1nc2ccccc2n2cnnc12","InChI=1S/C18H17N5/c1-3-13-8-6-7-12(2)16(13)21-17-18-22-19-11-23(18)15-10-5-4-9-14(15)20-17/h4-11H,3H2,1-2H3,(H,20,21)","VKLRZULZIPKOSX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11831",4074,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66967","CCc1cccc(CC)c1NC(=O)C1CSC2(C)CCC(=O)N12","InChI=1S/C18H24N2O2S/c1-4-12-7-6-8-13(5-2)16(12)19-17(22)14-11-23-18(3)10-9-15(21)20(14)18/h6-8,14H,4-5,9-11H2,1-3H3,(H,19,22)","SMIQDZIGQAIRLK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11832",3949,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66856","CCc1cccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccc3OCC(=O)Nc3c2)c1","InChI=1S/C22H25N3O5S/c1-2-15-4-3-5-17(12-15)23-22(27)16-8-10-25(11-9-16)31(28,29)18-6-7-20-19(13-18)24-21(26)14-30-20/h3-7,12-13,16H,2,8-11,14H2,1H3,(H,23,27)(H,24,26)","TYVWTBVIIQZKCU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11833",32242,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50543397","CCc1cccc(NC(=O)c2cc3cccc(O)c3oc2=N)c1","InChI=1S/C18H16N2O3/c1-2-11-5-3-7-13(9-11)20-18(22)14-10-12-6-4-8-15(21)16(12)23-17(14)19/h3-10,19,21H,2H2,1H3,(H,20,22)","KJSIIAIZHJYKDK-UHFFFAOYSA-N",null,">10000"]
["D11834",4544,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66500","CCc1cccc(c1)N(CC(=O)NCc1ccc(F)cc1)C(=O)c1csnn1","InChI=1S/C20H19FN4O2S/c1-2-14-4-3-5-17(10-14)25(20(27)18-13-28-24-23-18)12-19(26)22-11-15-6-8-16(21)9-7-15/h3-10,13H,2,11-12H2,1H3,(H,22,26)","YYOPPNYOQQSPDR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11835",25859,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246323","CCc1ccccc1-n1nc(OC2CCC3(CC2)OCCO3)cc1-c1ccc(Cl)cc1","InChI=1S/C25H27ClN2O3/c1-2-18-5-3-4-6-22(18)28-23(19-7-9-20(26)10-8-19)17-24(27-28)31-21-11-13-25(14-12-21)29-15-16-30-25/h3-10,17,21H,2,11-16H2,1H3","BQQHWRLQVWTKDU-UHFFFAOYSA-N",null,81]
["D11836",25856,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246324","CCc1ccccc1-n1nc(OC2CCN(CC2)C(=O)OC(C)(C)C)cc1-c1ccc(Cl)cc1","InChI=1S/C27H32ClN3O3/c1-5-19-8-6-7-9-23(19)31-24(20-10-12-21(28)13-11-20)18-25(29-31)33-22-14-16-30(17-15-22)26(32)34-27(2,3)4/h6-13,18,22H,5,14-17H2,1-4H3","ZWJKOWFFHJCZRL-UHFFFAOYSA-N",null,50]
["D11837",25861,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246325","CCc1ccccc1-n1nc(OC2CCN(CC2)S(C)(=O)=O)cc1-c1ccc(Cl)cc1","InChI=1S/C23H26ClN3O3S/c1-3-17-6-4-5-7-21(17)27-22(18-8-10-19(24)11-9-18)16-23(25-27)30-20-12-14-26(15-13-20)31(2,28)29/h4-11,16,20H,3,12-15H2,1-2H3","RTFHWULQHQDWPK-UHFFFAOYSA-N",null,98.5]
["D11838",4511,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM42061","CCc1ccccc1NC(=O)CN(C)C(=O)Cn1ncc(Cl)c(Cl)c1=O","InChI=1S/C17H18Cl2N4O3/c1-3-11-6-4-5-7-13(11)21-14(24)9-22(2)15(25)10-23-17(26)16(19)12(18)8-20-23/h4-8H,3,9-10H2,1-2H3,(H,21,24)","MRFCCGDBEJIXFA-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11839",18249,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50459903","CCc1cnc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)nc1NCCCN(C)C(=O)C1CCC1","InChI=1S/C55H79N9O9S/c1-7-40-34-58-54(62-50(40)56-24-11-25-63(6)52(68)42-14-10-15-42)60-43-20-22-45(23-21-43)73-31-13-29-71-27-9-8-26-70-28-12-30-72-36-47(66)61-49(55(3,4)5)53(69)64-35-44(65)32-46(64)51(67)57-33-39-16-18-41(19-17-39)48-38(2)59-37-74-48/h16-23,34,37,42,44,46,49,65H,7-15,24-33,35-36H2,1-6H3,(H,57,67)(H,61,66)(H2,56,58,60,62)/t44-,46+,49-/m1/s1","SCWPMGOTVJHSFE-CRHSMECVSA-N",null,null,275]
["D11840",16261,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM485828","CCc1cnc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)nc1NCCN(C)C(=O)C1CCC1","InChI=1S/C54H77N9O9S/c1-7-39-33-57-53(61-49(39)55-23-24-62(6)51(67)41-13-10-14-41)59-42-19-21-44(22-20-42)72-30-12-28-70-26-9-8-25-69-27-11-29-71-35-46(65)60-48(54(3,4)5)52(68)63-34-43(64)31-45(63)50(66)56-32-38-15-17-40(18-16-38)47-37(2)58-36-73-47/h15-22,33,36,41,43,45,48,64H,7-14,23-32,34-35H2,1-6H3,(H,56,66)(H,60,65)(H2,55,57,59,61)/t43-,45+,48-/m1/s1","CQHCIMNFFGDASN-FHGSKKDFSA-N",null,121]
["D11841",15873,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50401935","CCc1cnc(Nc2cccc(F)c2)nc1NCCCNC(=O)C1CCC1","InChI=1S/C20H26FN5O/c1-2-14-13-24-20(25-17-9-4-8-16(21)12-17)26-18(14)22-10-5-11-23-19(27)15-6-3-7-15/h4,8-9,12-13,15H,2-3,5-7,10-11H2,1H3,(H,23,27)(H2,22,24,25,26)","DGAUSFHTWRKBJD-UHFFFAOYSA-N",null,63]
["D11842",663,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008277","CCc1cnc2CC(CCCN)(CCn12)C(O)=O","InChI=1S/C13H21N3O2/c1-2-10-9-15-11-8-13(12(17)18,4-3-6-14)5-7-16(10)11/h9H,2-8,14H2,1H3,(H,17,18)","LZWVQAPNCQXHEO-UHFFFAOYSA-N",null,2270]
["D11843",4488,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66457","CCc1nc(NNC2=c3ccccc3=NC2=O)c2c3CCCc3sc2n1","InChI=1S/C19H17N5OS/c1-2-14-21-17(15-11-7-5-9-13(11)26-19(15)22-14)24-23-16-10-6-3-4-8-12(10)20-18(16)25/h3-4,6,8H,2,5,7,9H2,1H3,(H,20,23,25)(H,21,22,24)","UWTAQSOEAOJRMF-UHFFFAOYSA-N",{"$nulls":3},20780]
["D11844",12384,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM40284","CCc1nc(SCC(=O)Nc2ccc3OCCOc3c2)c2oc3ccccc3c2n1","InChI=1S/C22H19N3O4S/c1-2-18-24-20-14-5-3-4-6-15(14)29-21(20)22(25-18)30-12-19(26)23-13-7-8-16-17(11-13)28-10-9-27-16/h3-8,11H,2,9-10,12H2,1H3,(H,23,26)","CKJQKKZNZHGPAD-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11845",11834,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42987","CCc1nc(SCc2ccc(F)cc2)[nH]c(=O)c1C#N","InChI=1S/C14H12FN3OS/c1-2-12-11(7-16)13(19)18-14(17-12)20-8-9-3-5-10(15)6-4-9/h3-6H,2,8H2,1H3,(H,17,18,19)","IIUPFRTWPLSMHK-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11846",4830,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50280374","CCc1nc2c(CC(CC2=O)c2ccc(C)cc2C)o1","InChI=1S/C17H19NO2/c1-4-16-18-17-14(19)8-12(9-15(17)20-16)13-6-5-10(2)7-11(13)3/h5-7,12H,4,8-9H2,1-3H3","CPKZCQHJDFSOJT-UHFFFAOYSA-N",null,650]
["D11847",11934,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43194","CCc1nc2ccc(cc2nc1CC)C(=O)Nc1nnc(C)s1","InChI=1S/C16H17N5OS/c1-4-11-12(5-2)18-14-8-10(6-7-13(14)17-11)15(22)19-16-21-20-9(3)23-16/h6-8H,4-5H2,1-3H3,(H,19,21,22)","VDDKACGNDBYSNH-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11848",16241,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478418","CCc1nccc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C28H34N8O2/c1-5-24-29-11-9-21(31-24)20-6-7-22-23(17-20)33-26(32-22)34-25-16-19(8-10-30-25)18-35-12-14-36(15-13-35)27(37)38-28(2,3)4/h6-11,16-17H,5,12-15,18H2,1-4H3,(H2,30,32,33,34)","HKPFLEOOELRLIS-UHFFFAOYSA-N",null,111]
["D11849",3772,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66381","CCc1nn(c(N)c1C#N)-c1cc(Oc2cccc3ccccc23)nc(n1)-c1ccccc1","InChI=1S/C26H20N6O/c1-2-21-20(16-27)25(28)32(31-21)23-15-24(30-26(29-23)18-10-4-3-5-11-18)33-22-14-8-12-17-9-6-7-13-19(17)22/h3-15H,2,28H2,1H3","DVXKYIJIPVPGEV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11850",5018,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50283481","CCc1nn2c(cc(C)nc2c1-c1cc(F)c(OC(F)F)cc1F)C(F)(F)F","InChI=1S/C17H12F7N3O/c1-3-11-14(8-5-10(19)12(6-9(8)18)28-16(20)21)15-25-7(2)4-13(17(22,23)24)27(15)26-11/h4-6,16H,3H2,1-2H3","SDDZGCNKTOUMEI-UHFFFAOYSA-N",{"$nulls":3},740]
["D11851",5017,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50283480","CCc1nn2c(cc(C)nc2c1-c1ccc(OC(F)F)cc1F)C(F)(F)F","InChI=1S/C17H13F6N3O/c1-3-12-14(10-5-4-9(7-11(10)18)27-16(19)20)15-24-8(2)6-13(17(21,22)23)26(15)25-12/h4-7,16H,3H2,1-2H3","ZRJOZSUGCBXQOH-UHFFFAOYSA-N",{"$nulls":3},1480]
["D11852",5030,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50283488","CCc1nn2c(cc(C)nc2c1-c1ccc(OC)c(F)c1F)C(F)(F)F","InChI=1S/C17H14F5N3O/c1-4-10-13(9-5-6-11(26-3)15(19)14(9)18)16-23-8(2)7-12(17(20,21)22)25(16)24-10/h5-7H,4H2,1-3H3","TTWAJQADFIJAGB-UHFFFAOYSA-N",{"$nulls":3},1047]
["D11853",5024,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50283485","CCc1nn2c(cc(C)nc2c1-c1ccc(OC)cc1)C(F)(F)F","InChI=1S/C17H16F3N3O/c1-4-13-15(11-5-7-12(24-3)8-6-11)16-21-10(2)9-14(17(18,19)20)23(16)22-13/h5-9H,4H2,1-3H3","QOARDHPCLIAPPC-UHFFFAOYSA-N",{"$nulls":3},1738]
["D11854",3778,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66385","CCc1nnc(NC(=O)CSc2nc(cc(-c3ccc(F)cc3)c2C#N)-c2ccccc2)s1","InChI=1S/C24H18FN5OS2/c1-2-22-29-30-24(33-22)28-21(31)14-32-23-19(13-26)18(15-8-10-17(25)11-9-15)12-20(27-23)16-6-4-3-5-7-16/h3-12H,2,14H2,1H3,(H,28,30,31)","ISSKARAJOGELDY-UHFFFAOYSA-N",{"$nulls":3},24170]
["D11855",12454,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42967","CCc1nnc(NC(=O)CSc2ncnc3c4ccccc4oc23)s1","InChI=1S/C16H13N5O2S2/c1-2-12-20-21-16(25-12)19-11(22)7-24-15-14-13(17-8-18-15)9-5-3-4-6-10(9)23-14/h3-6,8H,2,7H2,1H3,(H,19,21,22)","JGGCGFDQYFVOBY-UHFFFAOYSA-N",{"$nulls":3},23520]
["D11856",4605,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM32907","CCc1nnc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)s1","InChI=1S/C15H18N4O2S/c1-4-12-18-19-15(22-12)17-14(21)10-5-7-11(8-6-10)16-13(20)9(2)3/h5-9H,4H2,1-3H3,(H,16,20)(H,17,19,21)","QJJDDJISESNWGT-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11857",3947,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM65896","CCc1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)s1","InChI=1S/C16H14ClN5O3S2/c1-2-12-21-22-15(26-12)20-14(23)13-11(17)8-18-16(19-13)27(24,25)9-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,20,22,23)","KQXGUMFOKFQRCK-UHFFFAOYSA-N",{"$nulls":3},58100]
["D11858",11995,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43127","CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3cccs3)cc2)s1","InChI=1S/C18H17N5O3S4/c1-2-16-21-22-18(29-16)23-30(25,26)14-8-5-12(6-9-14)19-17(27)20-15(24)10-7-13-4-3-11-28-13/h3-11H,2H2,1H3,(H,22,23)(H2,19,20,24,27)","WTPRTNHBCHQUHY-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11859",4615,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66564","CCn1c(C)[n+](CCOC(C)=O)c2cc(Cl)c(Cl)cc12","InChI=1S/C14H17Cl2N2O2/c1-4-17-9(2)18(5-6-20-10(3)19)14-8-12(16)11(15)7-13(14)17/h7-8H,4-6H2,1-3H3/q+1","JCMIBBCJGQKXJN-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11860",4388,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66314","CCn1c(CNc2ccc(F)cc2)nnc1SCC(=O)Nc1ccccc1OC","InChI=1S/C20H22FN5O2S/c1-3-26-18(12-22-15-10-8-14(21)9-11-15)24-25-20(26)29-13-19(27)23-16-6-4-5-7-17(16)28-2/h4-11,22H,3,12-13H2,1-2H3,(H,23,27)","HUQAIDOJAKTZCJ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11861",4716,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM54825","CCn1c(Cl)c(C=O)sc1=NS(=O)(=O)c1ccccc1","InChI=1S/C12H11ClN2O3S2/c1-2-15-11(13)10(8-16)19-12(15)14-20(17,18)9-6-4-3-5-7-9/h3-8H,2H2,1H3","ROQKRUGZHJUJIL-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11862",12061,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM6119","CCn1c(Oc2ccc(F)cc2)nc2n(C)c(=O)n(C)c(=O)c12","InChI=1S/C15H15FN4O3/c1-4-20-11-12(18(2)15(22)19(3)13(11)21)17-14(20)23-10-7-5-9(16)6-8-10/h5-8H,4H2,1-3H3","FOVJULHTQMOCFQ-UHFFFAOYSA-N",null,3241]
["D11863",12266,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM7551","CCn1c(Oc2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12","InChI=1S/C15H15BrN4O3/c1-4-20-11-12(18(2)15(22)19(3)13(11)21)17-14(20)23-10-7-5-6-9(16)8-10/h5-8H,4H2,1-3H3","DTFMRGCVCJQAJX-UHFFFAOYSA-N",null,17002]
["D11864",11949,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43082","CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nc2nc3CCCCc3cc2c1=O","InChI=1S/C21H21ClN4O2S/c1-2-26-20(28)16-11-13-5-3-4-6-17(13)24-19(16)25-21(26)29-12-18(27)23-15-9-7-14(22)8-10-15/h7-11H,2-6,12H2,1H3,(H,23,27)","SFXVZNHMVKVIOO-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11865",4041,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66942","CCn1c(SCC(=O)Nc2ccc(cc2)C(C)=O)nc2c3ccccc3[nH]c2c1=O","InChI=1S/C22H20N4O3S/c1-3-26-21(29)20-19(16-6-4-5-7-17(16)24-20)25-22(26)30-12-18(28)23-15-10-8-14(9-11-15)13(2)27/h4-11,24H,3,12H2,1-2H3,(H,23,28)","VJONUUGXFFUDMV-UHFFFAOYSA-N",{"$nulls":3},13000]
["D11866",4341,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66282","CCn1c(SCC(=O)c2ccccc2)nnc1-c1cc2cc(Br)ccc2o1","InChI=1S/C20H16BrN3O2S/c1-2-24-19(18-11-14-10-15(21)8-9-17(14)26-18)22-23-20(24)27-12-16(25)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3","XNCAWHBAYZBTBT-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11867",12358,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42890","CCn1c(SCC(O)=O)nnc1C1CCCCC1","InChI=1S/C12H19N3O2S/c1-2-15-11(9-6-4-3-5-7-9)13-14-12(15)18-8-10(16)17/h9H,2-8H2,1H3,(H,16,17)","GMWDVQIZSPTBNW-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11868",4847,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50305860","CCn1c(cc2onc(-c3ccccc3)c2c1=O)-c1ccccc1","InChI=1S/C20H16N2O2/c1-2-22-16(14-9-5-3-6-10-14)13-17-18(20(22)23)19(21-24-17)15-11-7-4-8-12-15/h3-13H,2H2,1H3","DRCLQPHXNLVEAU-UHFFFAOYSA-N",null,910]
["D11869",31793,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43590","CCn1c(cc2sc(Cl)cc12)C(=O)Nc1ccsc1C(=O)OC","InChI=1S/C15H13ClN2O3S2/c1-3-18-9-7-12(16)23-11(9)6-10(18)14(19)17-8-4-5-22-13(8)15(20)21-2/h4-7H,3H2,1-2H3,(H,17,19)","GUCSILSTFFWNIS-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D11870",16288,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50316192","CCn1c(nc2c(nc(O[C@@H](CN)c3ccccc3)cc12)C#CC(C)(C)O)-c1nonc1N","InChI=1S/C23H25N7O3/c1-4-30-16-12-18(32-17(13-24)14-8-6-5-7-9-14)26-15(10-11-23(2,3)31)19(16)27-22(30)20-21(25)29-33-28-20/h5-9,12,17,31H,4,13,24H2,1-3H3,(H2,25,29)/t17-/m0/s1","VLGIYSJSJHPDHN-KRWDZBQOSA-N",null,138]
["D11871",16818,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM25012","CCn1c(nc2c(ncc(OC3CCNCC3)c12)C#CC(C)(C)O)-c1nonc1N","InChI=1S/C20H25N7O3/c1-4-27-17-14(29-12-6-9-22-10-7-12)11-23-13(5-8-20(2,3)28)15(17)24-19(27)16-18(21)26-30-25-16/h11-12,22,28H,4,6-7,9-10H2,1-3H3,(H2,21,26)","OEMAOMXEFJMDSR-UHFFFAOYSA-N",null,802]
["D11872",16792,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM25008","CCn1c(nc2c(ncc(OCC3CCNCC3)c12)C#CC(C)(C)O)-c1nonc1N","InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-9-23-10-7-13)11-24-14(5-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4,6-7,9-10,12H2,1-3H3,(H2,22,27)","NTPAYIOIMIUCMN-UHFFFAOYSA-N",null,718]
["D11873",16845,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153733","CCn1c(nc2c(ncc(OC[C@@H]3CCCN3)c12)C#CC(C)(C)O)-c1nonc1N","InChI=1S/C20H25N7O3/c1-4-27-17-14(29-11-12-6-5-9-22-12)10-23-13(7-8-20(2,3)28)15(17)24-19(27)16-18(21)26-30-25-16/h10,12,22,28H,4-6,9,11H2,1-3H3,(H2,21,26)/t12-/m0/s1","BKDRXZKRHMEDHE-LBPRGKRZSA-N",null,919]
["D11874",25934,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM25013","CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N","InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1","KGPGFQWBCSZGEL-ZDUSSCGKSA-N",null,null,">10000"]
["D11875",17047,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50365218","CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)-c1nonc1N","InChI=1S/C15H18N8O2/c1-2-23-12-9(15(24)22-4-3-8(16)7-22)5-18-6-10(12)19-14(23)11-13(17)21-25-20-11/h5-6,8H,2-4,7,16H2,1H3,(H2,17,21)/t8-/m0/s1","PHWHNHYZZNJPLB-QMMMGPOBSA-N",null,1640]
["D11876",28587,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50275183","CCn1c2ccccc2[nH]c1=O","InChI=1S/C9H10N2O/c1-2-11-8-6-4-3-5-7(8)10-9(11)12/h3-6H,2H2,1H3,(H,10,12)","CXUCKELNYMZTRT-UHFFFAOYSA-N",">50000"]
["D11877",12122,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87261","CCn1c2ccccc2c2cnc(\\N=C\\N(C)C)c(C#N)c12","InChI=1S/C17H17N5/c1-4-22-15-8-6-5-7-12(15)14-10-19-17(20-11-21(2)3)13(9-18)16(14)22/h5-8,10-11H,4H2,1-3H3/b20-11+","YFCZICHODYUOFU-RGVLZGJSSA-N",null,4936]
["D11878",31816,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM37480","CCn1c2ccccc2c2sc(cc2c1=O)C(=O)N1CCCC1","InChI=1S/C18H18N2O2S/c1-2-20-14-8-4-3-7-12(14)16-13(17(20)21)11-15(23-16)18(22)19-9-5-6-10-19/h3-4,7-8,11H,2,5-6,9-10H2,1H3","CEJYSJUIBXGONE-UHFFFAOYSA-N",null,14840]
["D11879",11998,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43130","CCn1cc(CNCc2cn(C)nc2-c2ccc(cc2)C2CCCCC2)cn1","InChI=1S/C23H31N5/c1-3-28-16-18(14-25-28)13-24-15-22-17-27(2)26-23(22)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h9-12,14,16-17,19,24H,3-8,13,15H2,1-2H3","ZUYMJOIZOUJQTC-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11880",7,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401917","CCn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C20H29N7O/c1-2-27-13-16(11-24-27)25-20-23-12-17(14-7-8-14)18(26-20)21-9-4-10-22-19(28)15-5-3-6-15/h11-15H,2-10H2,1H3,(H,22,28)(H2,21,23,25,26)","ATGOJZIHHQXMBT-UHFFFAOYSA-N",null,140]
["D11881",14610,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278347","CCn1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)c(C)n1","InChI=1S/C23H25FN8O3/c1-3-32-11-18(14(2)30-32)28-23-27-13-26-22(29-23)15-4-5-19(16(8-15)9-25)35-20-6-7-31(10-17(20)24)21(34)12-33/h4-5,8,11,13,17,20,33H,3,6-7,10,12H2,1-2H3,(H,26,27,28,29)/t17-,20+/m1/s1","ORHHPZBLKIDTBX-XLIONFOSSA-N",null,4]
["D11882",14469,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278138","CCn1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)cn1","InChI=1S/C22H23FN8O3/c1-2-31-10-16(9-27-31)28-22-26-13-25-21(29-22)14-3-4-18(15(7-14)8-24)34-19-5-6-30(11-17(19)23)20(33)12-32/h3-4,7,9-10,13,17,19,32H,2,5-6,11-12H2,1H3,(H,25,26,28,29)/t17-,19+/m1/s1","KOLYMXQYZQEXIF-MJGOQNOKSA-N",null,3]
["D11883",15460,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278280","CCn1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)nn1","InChI=1S/C21H22FN9O3/c1-2-31-10-18(28-29-31)26-21-25-12-24-20(27-21)13-3-4-16(14(7-13)8-23)34-17-5-6-30(9-15(17)22)19(33)11-32/h3-4,7,10,12,15,17,32H,2,5-6,9,11H2,1H3,(H,24,25,26,27)/t15-,17+/m1/s1","KPELCBIAAJVUQI-WBVHZDCISA-N",null,28]
["D11884",15016,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278346","CCn1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@H](C)O)c(c2)C#N)c(C)n1","InChI=1S/C24H27FN8O3/c1-4-33-12-19(14(2)31-33)29-24-28-13-27-22(30-24)16-5-6-20(17(9-16)10-26)36-21-7-8-32(11-18(21)25)23(35)15(3)34/h5-6,9,12-13,15,18,21,34H,4,7-8,11H2,1-3H3,(H,27,28,29,30)/t15-,18+,21-/m0/s1","WTTGENWPXJVKQI-KLHJMIIUSA-N",null,9]
["D11885",14822,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278129","CCn1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@H](C)O)c(c2)C#N)cn1","InChI=1S/C23H25FN8O3/c1-3-32-11-17(10-28-32)29-23-27-13-26-21(30-23)15-4-5-19(16(8-15)9-25)35-20-6-7-31(12-18(20)24)22(34)14(2)33/h4-5,8,10-11,13-14,18,20,33H,3,6-7,12H2,1-2H3,(H,26,27,29,30)/t14-,18+,20-/m0/s1","KICWLQGEPQRPSZ-QMIHWGKISA-N",null,6]
["D11886",11977,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43110","CCn1cc(\\C=C\\C(=O)Nc2ccn(Cc3c(F)c(F)c(F)c(F)c3F)n2)cn1","InChI=1S/C18H14F5N5O/c1-2-27-8-10(7-24-27)3-4-13(29)25-12-5-6-28(26-12)9-11-14(19)16(21)18(23)17(22)15(11)20/h3-8H,2,9H2,1H3,(H,25,26,29)/b4-3+","SEAXSJMHQPCMPS-ONEGZZNKSA-N",{"$nulls":3},">79370"]
["D11887",15842,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478490","CCn1cc(cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C26H30N8O/c1-2-34-17-21(15-28-34)20-5-6-22-23(14-20)30-26(29-22)31-24-13-18(7-8-27-24)16-32-9-11-33(12-10-32)25(35)19-3-4-19/h5-8,13-15,17,19H,2-4,9-12,16H2,1H3,(H2,27,29,30,31)","XOHBOONHNFKNCH-UHFFFAOYSA-N",null,55.8]
["D11888",15706,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478535","CCn1cc(cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1OCC(C)C","InChI=1S/C30H38N8O2/c1-4-38-18-23(16-32-38)24-7-8-25-27(28(24)40-19-20(2)3)35-30(33-25)34-26-15-21(9-10-31-26)17-36-11-13-37(14-12-36)29(39)22-5-6-22/h7-10,15-16,18,20,22H,4-6,11-14,17,19H2,1-3H3,(H2,31,33,34,35)","YODFVUQNWWEFTH-UHFFFAOYSA-N",null,36.9]
["D11889",15801,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50520162","CCn1cc(cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C25H27F3N8O/c1-2-36-16-19(14-30-36)18-3-4-20-21(12-18)32-24(31-20)33-22-11-17(5-6-29-22)15-34-7-9-35(10-8-34)23(37)13-25(26,27)28/h3-6,11-12,14,16H,2,7-10,13,15H2,1H3,(H2,29,31,32,33)","QTSKVQLIRGIGDV-UHFFFAOYSA-N",null,50]
["D11890",15893,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478534","CCn1cc(cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1OCC(C)C","InChI=1S/C29H35F3N8O2/c1-4-40-17-21(15-34-40)22-5-6-23-26(27(22)42-18-19(2)3)37-28(35-23)36-24-13-20(7-8-33-24)16-38-9-11-39(12-10-38)25(41)14-29(30,31)32/h5-8,13,15,17,19H,4,9-12,14,16,18H2,1-3H3,(H2,33,35,36,37)","QFIUCRNNDVLGNT-UHFFFAOYSA-N",null,64.7]
["D11891",11997,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43129","CCn1cc(cn1)S(=O)(=O)Nc1ccccc1C(F)(F)F","InChI=1S/C12H12F3N3O2S/c1-2-18-8-9(7-16-18)21(19,20)17-11-6-4-3-5-10(11)12(13,14)15/h3-8,17H,2H2,1H3","DWTRUSBCOCKROA-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11892",28613,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50215069","CCn1cc\\c(=[NH+]\\CCCOc2cccc(OCCCNc3cc[n+](CC)c4ccccc34)c2OCCC\\[NH+]=c2/ccn(CC)c3ccccc23)c2ccccc12","InChI=1S/C48H54N6O3/c1-4-52-31-25-40(37-17-7-10-20-43(37)52)49-28-14-34-55-46-23-13-24-47(56-35-15-29-50-41-26-32-53(5-2)44-21-11-8-18-38(41)44)48(46)57-36-16-30-51-42-27-33-54(6-3)45-22-12-9-19-39(42)45/h7-13,17-27,31-33H,4-6,14-16,28-30,34-36H2,1-3H3/p+3/b49-40-,51-42+","ITTXAYWHSICSOX-IYWXXEFGSA-Q",null,86]
["D11893",12188,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM6128","CCn1ccnc1CN(C)Cc1c[nH]nc1-c1ccc(F)cc1F","InChI=1S/C17H19F2N5/c1-3-24-7-6-20-16(24)11-23(2)10-12-9-21-22-17(12)14-5-4-13(18)8-15(14)19/h4-9H,3,10-11H2,1-2H3,(H,21,22)","RPOAJMIQGUOEPW-UHFFFAOYSA-N",null,8020]
["D11894",12120,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87300","CCn1ccnc1CN(C)Cc1c[nH]nc1-c1ccc(OC)c(F)c1","InChI=1S/C18H22FN5O/c1-4-24-8-7-20-17(24)12-23(2)11-14-10-21-22-18(14)13-5-6-16(25-3)15(19)9-13/h5-10H,4,11-12H2,1-3H3,(H,21,22)","QJSDOQWKGBHATB-UHFFFAOYSA-N",null,4907]
["D11895",345,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226599","CCn1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C10H18N4O2/c1-2-14-6-8(13-7-14)5-9(10(15)16)12-4-3-11/h6-7,9,12H,2-5,11H2,1H3,(H,15,16)/t9-/m0/s1","RVUXHJZTETWWDB-VIFPVBQESA-N",250]
["D11896",13551,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19244154","CCn1cnc(C[C@H](NCCN)C(O)=O)c2","InChI=1S/C10H18N4O2/c1-2-14-6-8(13-7-14)5-9(10(15)16)12-4-3-11/h6-7,9,12H,2-5,11H2,1H3,(H,15,16)/t9-/m0/s2","RVUXHJZTETWWDB-VIFPVBQESA-N",-15870.2382833476,-115272.999609248,33575.3795964765,{"$nulls":3},6.73724048527039]
["D11897",564,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144325","CCn1cnc(c1)C(C[C@H]1CC[C@H](N)C1)C(O)=O","InChI=1S/C13H21N3O2/c1-2-16-7-12(15-8-16)11(13(17)18)6-9-3-4-10(14)5-9/h7-11H,2-6,14H2,1H3,(H,17,18)/t9-,10-,11?/m0/s1","VMERNPBLGUMYOA-QRHSGQBVSA-N",null,100]
["D11898",507,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135940","CCn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O","InChI=1S/C13H16N4O2/c1-2-17-7-11(16-8-17)10(13(18)19)5-9-3-4-12(14)15-6-9/h3-4,6-8,10H,2,5H2,1H3,(H2,14,15)(H,18,19)","HWISMQLAUIIGRF-UHFFFAOYSA-N",null,36]
["D11899",17635,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50086441","CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12","InChI=1S/C30H31F3N8O/c1-4-41-28-26(27(34)35-18-36-28)25(38-41)10-8-20-15-21(6-5-19(20)2)29(42)37-23-9-7-22(24(16-23)30(31,32)33)17-40-13-11-39(3)12-14-40/h5-7,9,15-16,18H,4,11-14,17H2,1-3H3,(H,37,42)(H2,34,35,36)","BNRXMSGHPVYSDK-UHFFFAOYSA-N",null,">10000"]
["D11900",17923,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570033","CCn1nc(C)cc1-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(F)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D11901",18318,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50509049","CCn1nc(C)cc1C(=O)\\N=c1/[nH]c2cc(ccc2n1CCCCn1c2ccc(cc2[nH]\\c1=N/C(=O)c1cc(C)nn1CC)C(N)=O)C(N)=O","InChI=1S/C34H38N12O4/c1-5-45-27(15-19(3)41-45)31(49)39-33-37-23-17-21(29(35)47)9-11-25(23)43(33)13-7-8-14-44-26-12-10-22(30(36)48)18-24(26)38-34(44)40-32(50)28-16-20(4)42-46(28)6-2/h9-12,15-18H,5-8,13-14H2,1-4H3,(H2,35,47)(H2,36,48)(H,37,39,49)(H,38,40,50)","ICZSAXDKFXTSGL-UHFFFAOYSA-N",{"$nulls":3},53900]
["D11902",12322,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43224","CCn1nc(\\C=C\\c2ccccc2)nc2c1nc(=O)n(C)c2=O","InChI=1S/C16H15N5O2/c1-3-21-14-13(15(22)20(2)16(23)18-14)17-12(19-21)10-9-11-7-5-4-6-8-11/h4-10H,3H2,1-2H3/b10-9+","BMHKZVDHCKLDME-MDZDMXLPSA-N",null,">35871"]
["D11903",17964,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570038","CCn1nc(cc1-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(F)(CO)CO4)cc3F)c12)C(F)(F)F",{"$nulls":3},">20000"]
["D11904",14870,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278281","CCn1ncc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)n1","InChI=1S/C21H22FN9O3/c1-2-31-26-9-18(29-31)27-21-25-12-24-20(28-21)13-3-4-16(14(7-13)8-23)34-17-5-6-30(10-15(17)22)19(33)11-32/h3-4,7,9,12,15,17,32H,2,5-6,10-11H2,1H3,(H,24,25,27,28,29)/t15-,17+/m1/s1","GCYKYTQSHOSPKE-WBVHZDCISA-N",null,7]
["D11905",16849,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569875","CCn1nccc1-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},970]
["D11906",4608,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66557","CCn1nnc(NC(=O)Cc2ccc(Cl)cc2)n1","InChI=1S/C11H12ClN5O/c1-2-17-15-11(14-16-17)13-10(18)7-8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3,(H,13,15,18)","RLZCPGVOSBBEIZ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11907",16775,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM402042","CN(C(=O)C=C)c1cc(Nc2ncc(Cl)c(NCCCNC(=O)c3ccc(F)cc3)n2)ccc1F","InChI=1S/C24H23ClF2N6O2/c1-3-21(34)33(2)20-13-17(9-10-19(20)27)31-24-30-14-18(25)22(32-24)28-11-4-12-29-23(35)15-5-7-16(26)8-6-15/h3,5-10,13-14H,1,4,11-12H2,2H3,(H,29,35)(H2,28,30,31,32)","DYIBUWLFYBFBBS-UHFFFAOYSA-N",null,664]
["D11908",16337,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM402040","CN(C(=O)C=C)c1cc(Nc2ncc(Cl)c(NCCCNC(=O)c3ccc(cc3)C#N)n2)ccc1F","InChI=1S/C25H23ClFN7O2/c1-3-22(35)34(2)21-13-18(9-10-20(21)27)32-25-31-15-19(26)23(33-25)29-11-4-12-30-24(36)17-7-5-16(14-28)6-8-17/h3,5-10,13,15H,1,4,11-12H2,2H3,(H,30,36)(H2,29,31,32,33)","ZHLODYGHLUYMDJ-UHFFFAOYSA-N",null,162]
["D11909",17646,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM402041","CN(C(=O)C=C)c1cc(Nc2ncc(Cl)c(NCCCNC(=O)c3ccc(cc3)C(F)(F)F)n2)ccc1F","InChI=1S/C25H23ClF4N6O2/c1-3-21(37)36(2)20-13-17(9-10-19(20)27)34-24-33-14-18(26)22(35-24)31-11-4-12-32-23(38)15-5-7-16(8-6-15)25(28,29)30/h3,5-10,13-14H,1,4,11-12H2,2H3,(H,32,38)(H2,31,33,34,35)","HKHLIDXILYDLFH-UHFFFAOYSA-N",null,">10000"]
["D11910",4330,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66272","CN(C(=O)CCS(=O)(=O)c1cccc2nonc12)c1cccc(C)c1","InChI=1S/C17H17N3O4S/c1-12-5-3-6-13(11-12)20(2)16(21)9-10-25(22,23)15-8-4-7-14-17(15)19-24-18-14/h3-8,11H,9-10H2,1-2H3","VAOJPKHJZVYYOM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11911",16056,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245977","CN(C(=O)CN1CCOCC1)c1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1","InChI=1S/C26H28FN9O2/c1-34(24(37)17-35-8-10-38-11-9-35)23-3-2-21(15-30-23)32-26-29-6-4-22(33-26)19-12-18(13-28)25(31-14-19)36-7-5-20(27)16-36/h2-4,6,12,14-15,20H,5,7-11,16-17H2,1H3,(H,29,32,33)/t20-/m0/s1","LFUDBIVGMVUHOL-FQEVSTJZSA-N",null,"<100",{"$nulls":4},7.5]
["D11912",16890,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245978","CN(C(=O)CN1CCOCC1)c1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](O)C3)c(c2)C#N)cn1","InChI=1S/C26H29N9O3/c1-33(24(37)17-34-8-10-38-11-9-34)23-3-2-20(15-29-23)31-26-28-6-4-22(32-26)19-12-18(13-27)25(30-14-19)35-7-5-21(36)16-35/h2-4,6,12,14-15,21,36H,5,7-11,16-17H2,1H3,(H,28,31,32)/t21-/m0/s1","KWLXWIUPIKMOEI-NRFANRHFSA-N",null,"<1000",{"$nulls":4},7.5]
["D11913",3970,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66877","CN(C(=O)c1ccc2c(c1)nc1CCCCCn1c2=O)c1cc(C)ccc1C","InChI=1S/C23H25N3O2/c1-15-8-9-16(2)20(13-15)25(3)22(27)17-10-11-18-19(14-17)24-21-7-5-4-6-12-26(21)23(18)28/h8-11,13-14H,4-7,12H2,1-3H3","OOTZLILAFGWVLJ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11914",15584,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148102","CN(C(C)=O)c1ccc(Nc2nccc(n2)-c2ccc(N3CCCC3)c(c2)C#N)cc1","InChI=1S/C24H24N6O/c1-17(31)29(2)21-8-6-20(7-9-21)27-24-26-12-11-22(28-24)18-5-10-23(19(15-18)16-25)30-13-3-4-14-30/h5-12,15H,3-4,13-14H2,1-2H3,(H,26,27,28)","WCIRNCDKMKRLHK-UHFFFAOYSA-N",null,"<30",{"$nulls":4},7.5]
["D11915",16761,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397675","CN(C)C(=O)C(CC#N)Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C20H20N8O2/c1-28(2)20(30)14(5-6-21)26-15-7-13(9-23-16(15)8-22)17-10-25-18(11-24-17)27-19(29)12-3-4-12/h7,9-12,14,26H,3-5H2,1-2H3,(H,25,27,29)","YHOXEIYMQWYCAY-UHFFFAOYSA-N",null,631]
["D11916",16762,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397769","CN(C)C(=O)C(CC(F)(F)F)Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C20H20F3N7O2/c1-30(2)19(32)14(6-20(21,22)23)28-13-5-12(8-25-15(13)7-24)16-9-27-17(10-26-16)29-18(31)11-3-4-11/h5,8-11,14,28H,3-4,6H2,1-2H3,(H,27,29,31)","HDKIBIWGIUCAQO-UHFFFAOYSA-N",null,631]
["D11917",14910,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397639","CN(C)C(=O)C(CC(F)F)Nc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C21H22F2N6O2/c1-29(2)21(31)16(8-18(22)23)27-15-7-13(5-6-14(15)9-24)17-10-26-19(11-25-17)28-20(30)12-3-4-12/h5-7,10-12,16,18,27H,3-4,8H2,1-2H3,(H,26,28,30)","IGKZSLNYUYBACQ-UHFFFAOYSA-N",null,7.94]
["D11918",15734,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397699","CN(C)C(=O)C(CC(F)F)Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C20H21F2N7O2/c1-29(2)20(31)14(6-17(21)22)27-13-5-12(8-24-15(13)7-23)16-9-26-18(10-25-16)28-19(30)11-3-4-11/h5,8-11,14,17,27H,3-4,6H2,1-2H3,(H,26,28,30)","GIDDOZDGKAFFHR-UHFFFAOYSA-N",null,39.8]
["D11919",16271,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397659","CN(C)C(=O)C(CCO)Nc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C21H24N6O3/c1-27(2)21(30)16(7-8-28)25-17-9-14(5-6-15(17)10-22)18-11-24-19(12-23-18)26-20(29)13-3-4-13/h5-6,9,11-13,16,25,28H,3-4,7-8H2,1-2H3,(H,24,26,29)","NNKAIWHCCJMKIV-UHFFFAOYSA-N",null,126]
["D11920",16268,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397746","CN(C)C(=O)C(CCO)Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C20H23N7O3/c1-27(2)20(30)14(5-6-28)25-15-7-13(9-22-16(15)8-21)17-10-24-18(11-23-17)26-19(29)12-3-4-12/h7,9-12,14,25,28H,3-6H2,1-2H3,(H,24,26,29)","LGGDICARTDWKBJ-UHFFFAOYSA-N",null,126]
["D11921",15643,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397649","CN(C)C(=O)C(CO)Nc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C20H22N6O3/c1-26(2)20(29)17(11-27)24-15-7-13(5-6-14(15)8-21)16-9-23-18(10-22-16)25-19(28)12-3-4-12/h5-7,9-10,12,17,24,27H,3-4,11H2,1-2H3,(H,23,25,28)","IGRGLZVPZQJLQT-UHFFFAOYSA-N",null,31.6]
["D11922",15952,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397759","CN(C)C(=O)C(CO)Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C19H21N7O3/c1-26(2)19(29)16(10-27)24-13-5-12(7-21-14(13)6-20)15-8-23-17(9-22-15)25-18(28)11-3-4-11/h5,7-9,11,16,24,27H,3-4,10H2,1-2H3,(H,23,25,28)","XFRQJABXRFJRKO-UHFFFAOYSA-N",null,79.4]
["D11923",16747,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205209","CN(C)C(=O)CCCCCc1ccc(cc1)C(=O)Nc1sc(nc1C(N)=O)-c1ccncc1","InChI=1S/C24H27N5O3S/c1-29(2)19(30)7-5-3-4-6-16-8-10-17(11-9-16)22(32)28-24-20(21(25)31)27-23(33-24)18-12-14-26-15-13-18/h8-15H,3-7H2,1-2H3,(H2,25,31)(H,28,32)","JSEDXCDDIIVXQP-UHFFFAOYSA-N",null,580,{"$nulls":4},7.5,"30.00 C"]
["D11924",16002,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205199","CN(C)C(=O)CCCCc1ccc(cc1)C(=O)Nc1sc(nc1C(N)=O)-c1ccncc1","InChI=1S/C23H25N5O3S/c1-28(2)18(29)6-4-3-5-15-7-9-16(10-8-15)21(31)27-23-19(20(24)30)26-22(32-23)17-11-13-25-14-12-17/h7-14H,3-6H2,1-2H3,(H2,24,30)(H,27,31)","QDXLPWWWRXWAMB-UHFFFAOYSA-N",null,99,{"$nulls":4},7.5,"30.00 C"]
["D11925",15883,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397754","CN(C)C(=O)CNc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C19H20N6O2/c1-25(2)18(26)11-22-15-7-13(5-6-14(15)8-20)16-9-23-17(10-21-16)24-19(27)12-3-4-12/h5-7,9-10,12,22H,3-4,11H2,1-2H3,(H,23,24,27)","XTSTUTKIQQCIMX-UHFFFAOYSA-N",null,63.1]
["D11926",16122,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397753","CN(C)C(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C18H19N7O2/c1-25(2)17(26)10-22-13-5-12(7-20-14(13)6-19)15-8-23-16(9-21-15)24-18(27)11-3-4-11/h5,7-9,11,22H,3-4,10H2,1-2H3,(H,23,24,27)","FBBLLHSXEVHUHT-UHFFFAOYSA-N",null,100]
["D11927",32170,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43610","CN(C)C(=O)COC(=O)\\C=C\\c1ccccc1[N+]([O-])=O","InChI=1S/C13H14N2O5/c1-14(2)12(16)9-20-13(17)8-7-10-5-3-4-6-11(10)15(18)19/h3-8H,9H2,1-2H3/b8-7+","IKKAYIKGZXHVEP-BQYQJAHWSA-N",{"$nulls":3},">55700"]
["D11928",17000,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397664","CN(C)C(=O)[C@@H](CC(F)F)Nc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C21H22F2N6O2/c1-29(2)21(31)16(8-18(22)23)27-15-7-13(5-6-14(15)9-24)17-10-26-19(11-25-17)28-20(30)12-3-4-12/h5-7,10-12,16,18,27H,3-4,8H2,1-2H3,(H,26,28,30)/t16-/m1/s1","IGKZSLNYUYBACQ-MRXNPFEDSA-N",null,1259]
["D11929",16446,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397709","CN(C)C(=O)[C@@H](CC(F)F)Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C20H21F2N7O2/c1-29(2)20(31)14(6-17(21)22)27-13-5-12(8-24-15(13)7-23)16-9-26-18(10-25-16)28-19(30)11-3-4-11/h5,8-11,14,17,27H,3-4,6H2,1-2H3,(H,26,28,30)/t14-/m1/s1","GIDDOZDGKAFFHR-CQSZACIVSA-N",null,251]
["D11930",4540,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66496","CN(C)C(=O)[C@@H]1C[C@H]1[C@@H](NC(=O)OCc1ccccc1)c1ccccc1","InChI=1S/C21H24N2O3/c1-23(2)20(24)18-13-17(18)19(16-11-7-4-8-12-16)22-21(25)26-14-15-9-5-3-6-10-15/h3-12,17-19H,13-14H2,1-2H3,(H,22,25)/t17-,18-,19+/m1/s1","VOLCWHFFNBBUHL-QRVBRYPASA-N",{"$nulls":3},">350000"]
["D11931",14842,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397665","CN(C)C(=O)[C@H](CC(F)F)Nc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C21H22F2N6O2/c1-29(2)21(31)16(8-18(22)23)27-15-7-13(5-6-14(15)9-24)17-10-26-19(11-25-17)28-20(30)12-3-4-12/h5-7,10-12,16,18,27H,3-4,8H2,1-2H3,(H,26,28,30)/t16-/m0/s1","IGKZSLNYUYBACQ-INIZCTEOSA-N",null,6.31]
["D11932",15737,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397711","CN(C)C(=O)[C@H](CC(F)F)Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C20H21F2N7O2/c1-29(2)20(31)14(6-17(21)22)27-13-5-12(8-24-15(13)7-23)16-9-26-18(10-25-16)28-19(30)11-3-4-11/h5,8-11,14,17,27H,3-4,6H2,1-2H3,(H,26,28,30)/t14-/m0/s1","GIDDOZDGKAFFHR-AWEZNQCLSA-N",null,39.8]
["D11933",15435,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397767","CN(C)C(=O)[C@H](CO)Nc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C20H22N6O3/c1-26(2)20(29)17(11-27)24-15-7-13(5-6-14(15)8-21)16-9-23-18(10-22-16)25-19(28)12-3-4-12/h5-7,9-10,12,17,24,27H,3-4,11H2,1-2H3,(H,23,25,28)/t17-/m0/s1","IGRGLZVPZQJLQT-KRWDZBQOSA-N",null,25.1]
["D11934",15877,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397688","CN(C)C(=O)[C@H](CO)Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C19H21N7O3/c1-26(2)19(29)16(10-27)24-13-5-12(7-21-14(13)6-20)15-8-23-17(9-22-15)25-18(28)11-3-4-11/h5,7-9,11,16,24,27H,3-4,10H2,1-2H3,(H,23,25,28)/t16-/m0/s1","XFRQJABXRFJRKO-INIZCTEOSA-N",null,63.1]
["D11935",16223,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277002","CN(C)C(=O)\\C=C\\c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C24H24N4O3/c1-28(2)23(29)6-4-18-14-21-20(7-10-26-24(21)27-18)16-3-5-22(17(13-16)15-25)31-19-8-11-30-12-9-19/h3-7,10,13-14,19H,8-9,11-12H2,1-2H3,(H,26,27)/b6-4+","FQMLNDAGKXRMPL-GQCTYLIASA-N",null,103]
["D11936",17904,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570013","CN(C)C(=O)c1cc(F)cc(c1)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D11937",17909,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570018","CN(C)C(=O)c1cc(F)cc(c1)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(F)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D11938",16127,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570826","CN(C)C(=O)c1ccc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(c2)C#N)nc1","InChI=1S/C24H24N6O3/c1-30(2)24(31)17-4-6-22(26-14-17)29-23-12-20(27-15-28-23)16-3-5-21(18(11-16)13-25)33-19-7-9-32-10-8-19/h3-6,11-12,14-15,19H,7-10H2,1-2H3,(H,26,27,28,29)","FUUIXRDFHRZGIT-UHFFFAOYSA-N",null,"<100"]
["D11939",4729,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66654","CN(C)C(=O)c1ccc(OCC(F)(F)F)nc1","InChI=1S/C10H11F3N2O2/c1-15(2)9(16)7-3-4-8(14-5-7)17-6-10(11,12)13/h3-5H,6H2,1-2H3","PYYMNCUXCHZOAT-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11940",12140,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM5730","CN(C)C(=O)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12","InChI=1S/C17H15N3O2/c1-20(2)17(22)12-9-7-11(8-10-12)15-13-5-3-4-6-14(13)16(21)19-18-15/h3-10H,1-2H3,(H,19,21)","PVXUYPLWMVPQAL-UHFFFAOYSA-N",null,5673]
["D11941",17905,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570014","CN(C)C(=O)c1cccc(c1)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D11942",32333,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396703","CN(C)C(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1","InChI=1S/C18H20N2O3S/c1-19(2)18(21)15-8-5-9-17(12-15)24(22,23)20-11-10-14-6-3-4-7-16(14)13-20/h3-9,12H,10-11,13H2,1-2H3","UKXCJUUDEWXLRU-UHFFFAOYSA-N",null,">30000"]
["D11943",17902,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570011","CN(C)C(=O)c1ccccc1-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D11944",32016,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67124","CN(C)C(=O)c1nn(-c2ccc(F)cc2)c(=O)c2ccccc12","InChI=1S/C17H14FN3O2/c1-20(2)17(23)15-13-5-3-4-6-14(13)16(22)21(19-15)12-9-7-11(18)8-10-12/h3-10H,1-2H3","BXEFVZJLLIDOAT-UHFFFAOYSA-N",null,">55690"]
["D11945",4770,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66690","CN(C)C(=O)c1sc(NC(=O)CN2CCN(CC2)c2cccc(Cl)c2)nc1C","InChI=1S/C19H24ClN5O2S/c1-13-17(18(27)23(2)3)28-19(21-13)22-16(26)12-24-7-9-25(10-8-24)15-6-4-5-14(20)11-15/h4-6,11H,7-10,12H2,1-3H3,(H,21,22,26)","PQVDVNNIIWBKDK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11946",31752,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43556","CN(C)C(CN1C(=O)C2CC=CCC2C1=O)c1cn(C)c2ccccc12","InChI=1S/C21H25N3O2/c1-22(2)19(17-12-23(3)18-11-7-6-8-14(17)18)13-24-20(25)15-9-4-5-10-16(15)21(24)26/h4-8,11-12,15-16,19H,9-10,13H2,1-3H3","NSLSUEQHSJDZJE-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D11947",4407,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66328","CN(C)CC#CCCCCCCC#CCN(C)C","InChI=1S/C16H28N2/c1-17(2)15-13-11-9-7-5-6-8-10-12-14-16-18(3)4/h5-10,15-16H2,1-4H3","ZWFJZRUFKJFTSR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11948",17488,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357925","CN(C)CC#Cc1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O","InChI=1S/C18H15N3O4/c1-21(2)7-3-4-10-5-6-14-11(8-10)15(22)12-9-13(18(23)24)16(19)20-17(12)25-14/h5-6,8-9H,7H2,1-2H3,(H2,19,20)(H,23,24)","IXIDBGUSMRFEAI-UHFFFAOYSA-N",null,4240]
["D11949",25894,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM50355499","CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1","InChI=1S/C26H32N6O2/c1-31(2)17-24(33)32-12-10-18(11-13-32)20-8-9-23(22(14-20)19-6-4-3-5-7-19)30-26(34)25-28-16-21(15-27)29-25/h6,8-9,14,16,18H,3-5,7,10-13,17H2,1-2H3,(H,28,29)(H,30,34)","GUBJNPWVIUFSTR-UHFFFAOYSA-N",null,null,">10000"]
["D11950",15917,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276844","CN(C)CC(=O)N1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C32H34N6O3/c1-36(2)21-31(39)38-12-10-26(20-38)41-30-8-5-23(17-24(30)19-33)27-9-11-34-32-28(27)18-29(35-32)22-3-6-25(7-4-22)37-13-15-40-16-14-37/h3-9,11,17-18,26H,10,12-16,20-21H2,1-2H3,(H,34,35)/t26-/m1/s1","RBZVUJXWMRVFLP-AREMUKBSSA-N",null,70.7,{"$nulls":4},7]
["D11951",4653,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66595","CN(C)CC(=O)Nc1cc(C)c(C)cc1[N+]([O-])=O","InChI=1S/C12H17N3O3/c1-8-5-10(13-12(16)7-14(3)4)11(15(17)18)6-9(8)2/h5-6H,7H2,1-4H3,(H,13,16)","QXIIGKIJWDOKSY-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11952",15592,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148115","CN(C)CC(=O)Nc1ccc(Nc2nccc(n2)-c2ccc(N3CCCC3)c(c2)C#N)cn1","InChI=1S/C24H26N8O/c1-31(2)16-23(33)30-22-8-6-19(15-27-22)28-24-26-10-9-20(29-24)17-5-7-21(18(13-17)14-25)32-11-3-4-12-32/h5-10,13,15H,3-4,11-12,16H2,1-2H3,(H,26,28,29)(H,27,30,33)","VRGMAWKIHWSSQL-UHFFFAOYSA-N",null,"<30",{"$nulls":4},7.5]
["D11953",745,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144338","CN(C)CCCCC(C(O)=O)c1cnc[nH]1","InChI=1S/C11H19N3O2/c1-14(2)6-4-3-5-9(11(15)16)10-7-12-8-13-10/h7-9H,3-6H2,1-2H3,(H,12,13)(H,15,16)","ZEASILFPEFTDJS-UHFFFAOYSA-N",null,">50000"]
["D11954",743,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197530","CN(C)CCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C)C(O)=O","InChI=1S/C27H50N4O5S/c1-26(2)20-14-15-27(26,3)23(18-20)28-24(32)22(17-19-11-7-6-8-12-19)30-37(35,36)29-21(25(33)34)13-9-10-16-31(4)5/h19-23,29-30H,6-18H2,1-5H3,(H,28,32)(H,33,34)/t20-,21+,22+,23+,27+/m1/s1","DCLUNENWFFCBQD-BXOWXZKISA-N",null,44000]
["D11955",4043,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66944","CN(C)CCCN(C(=O)c1cc2cc(ccc2s1)[N+]([O-])=O)c1nc2cc3OCCOc3cc2s1","InChI=1S/C23H22N4O5S2/c1-25(2)6-3-7-26(22(28)21-11-14-10-15(27(29)30)4-5-19(14)33-21)23-24-16-12-17-18(13-20(16)34-23)32-9-8-31-17/h4-5,10-13H,3,6-9H2,1-2H3","JGWORRHJGYVGBZ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11956",12039,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43170","CN(C)CCCN(C(=O)c1ccc(cc1)-n1c(O)ccc1O)c1nc2c(F)cccc2s1","InChI=1S/C23H23FN4O3S/c1-26(2)13-4-14-27(23-25-21-17(24)5-3-6-18(21)32-23)22(31)15-7-9-16(10-8-15)28-19(29)11-12-20(28)30/h3,5-12,29-30H,4,13-14H2,1-2H3","JPBQIWQIHFKOJQ-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D11957",4059,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66953","CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2ccc(C)cc2s1","InChI=1S/C29H32N4O3S2/c1-21-9-14-26-27(19-21)37-29(30-26)33(17-6-16-31(2)3)28(34)23-10-12-25(13-11-23)38(35,36)32-18-15-22-7-4-5-8-24(22)20-32/h4-5,7-14,19H,6,15-18,20H2,1-3H3","AVOROEGEYAGDGQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11958",4045,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66946","CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2ccc(F)cc2s1","InChI=1S/C28H29FN4O3S2/c1-31(2)15-5-16-33(28-30-25-13-10-23(29)18-26(25)37-28)27(34)21-8-11-24(12-9-21)38(35,36)32-17-14-20-6-3-4-7-22(20)19-32/h3-4,6-13,18H,5,14-17,19H2,1-2H3","OKTMFRKTDSCKQO-UHFFFAOYSA-N",{"$nulls":3},75250]
["D11959",4042,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66943","CN(C)CCCN(C(=O)c1ccc(s1)[N+]([O-])=O)c1nc2cc3OCCOc3cc2s1","InChI=1S/C19H20N4O5S2/c1-21(2)6-3-7-22(18(24)15-4-5-17(29-15)23(25)26)19-20-12-10-13-14(11-16(12)30-19)28-9-8-27-13/h4-5,10-11H,3,6-9H2,1-2H3","NXIUTMSOSWSBTP-UHFFFAOYSA-N",{"$nulls":3},">160000"]
["D11960",17257,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379385","CN(C)CCCNc1c(Br)cnc2nc([nH]c12)-c1ccc(OCCN2CCCCC2)cc1","InChI=1S/C24H33BrN6O/c1-30(2)12-6-11-26-21-20(25)17-27-24-22(21)28-23(29-24)18-7-9-19(10-8-18)32-16-15-31-13-4-3-5-14-31/h7-10,17H,3-6,11-16H2,1-2H3,(H2,26,27,28,29)","WMTSXEYIPRFKBI-UHFFFAOYSA-N",null,2290]
["D11961",17414,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357926","CN(C)CCCc1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O","InChI=1S/C18H19N3O4/c1-21(2)7-3-4-10-5-6-14-11(8-10)15(22)12-9-13(18(23)24)16(19)20-17(12)25-14/h5-6,8-9H,3-4,7H2,1-2H3,(H2,19,20)(H,23,24)","UFHZMIKXSGTKFX-UHFFFAOYSA-N",null,3760]
["D11962",4485,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66455","CN(C)CCN(C(=O)\\C=C\\c1cccs1)c1nc2c(F)cc(F)cc2s1","InChI=1S/C18H17F2N3OS2/c1-22(2)7-8-23(16(24)6-5-13-4-3-9-25-13)18-21-17-14(20)10-12(19)11-15(17)26-18/h3-6,9-11H,7-8H2,1-2H3/b6-5+","WUMVFMZQAQQKJR-AATRIKPKSA-N",{"$nulls":3},36130]
["D11963",15583,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148101","CN(C)CCN(C)c1ccc(Nc2nccc(n2)-c2ccc(N3CCCC3)c(c2)C#N)cn1","InChI=1S/C25H30N8/c1-31(2)14-15-32(3)24-9-7-21(18-28-24)29-25-27-11-10-22(30-25)19-6-8-23(20(16-19)17-26)33-12-4-5-13-33/h6-11,16,18H,4-5,12-15H2,1-3H3,(H,27,29,30)","BTUANDGZVRMZJE-UHFFFAOYSA-N",null,"<30",{"$nulls":4},7.5]
["D11964",18063,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50359359","CN(C)CCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C","InChI=1S/C25H33Cl2N5O3S/c1-25(2,3)19-15-16(22(36-19)29-24(35)28-18-8-6-7-17(26)21(18)27)23(34)32-10-9-20(33)31(13-14-32)12-11-30(4)5/h6-8,15H,9-14H2,1-5H3,(H2,28,29,35)","SIUIQMQVKUUQQF-UHFFFAOYSA-N",null,">30000"]
["D11965",15589,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148111","CN(C)CCNC(=O)c1cccc(Nc2nccc(n2)-c2ccc(N3CCCC3)c(c2)C#N)c1","InChI=1S/C26H29N7O/c1-32(2)15-12-28-25(34)20-6-5-7-22(17-20)30-26-29-11-10-23(31-26)19-8-9-24(21(16-19)18-27)33-13-3-4-14-33/h5-11,16-17H,3-4,12-15H2,1-2H3,(H,28,34)(H,29,30,31)","ZLRVHQNQVQSHIG-UHFFFAOYSA-N",null,"<30",{"$nulls":4},7.5]
["D11966",32335,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396705","CN(C)CCNC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1","InChI=1S/C20H25N3O3S/c1-22(2)13-11-21-20(24)17-8-5-9-19(14-17)27(25,26)23-12-10-16-6-3-4-7-18(16)15-23/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)","BLBOXLJWZSVTKK-UHFFFAOYSA-N",null,">30000"]
["D11967",16395,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205205","CN(C)CCNCc1ccc(cc1)C(=O)Nc1sc(nc1C(N)=O)-c1ccncc1","InChI=1S/C21H24N6O2S/c1-27(2)12-11-24-13-14-3-5-15(6-4-14)19(29)26-21-17(18(22)28)25-20(30-21)16-7-9-23-10-8-16/h3-10,24H,11-13H2,1-2H3,(H2,22,28)(H,26,29)","KBGPWGDTVYZINM-UHFFFAOYSA-N",null,210,{"$nulls":4},7.5,"30.00 C"]
["D11968",17658,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379386","CN(C)CCNc1c(Br)cnc2nc([nH]c12)-c1ccc(OCCN2CCCCC2)cc1","InChI=1S/C23H31BrN6O/c1-29(2)13-10-25-20-19(24)16-26-23-21(20)27-22(28-23)17-6-8-18(9-7-17)31-15-14-30-11-4-3-5-12-30/h6-9,16H,3-5,10-15H2,1-2H3,(H2,25,26,27,28)","FXSCHKQPTLUNQX-UHFFFAOYSA-N",null,10300]
["D11969",16506,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148123","CN(C)CCNc1ccc(Nc2nccc(n2)-c2ccc(N3CCC(CC3)C(N)=O)c(c2)C#N)cn1","InChI=1S/C26H31N9O/c1-34(2)14-11-29-24-6-4-21(17-31-24)32-26-30-10-7-22(33-26)19-3-5-23(20(15-19)16-27)35-12-8-18(9-13-35)25(28)36/h3-7,10,15,17-18H,8-9,11-14H2,1-2H3,(H2,28,36)(H,29,31)(H,30,32,33)","XQDYTMWSHHRIQF-UHFFFAOYSA-N",null,"<300",{"$nulls":4},7.5]
["D11970",16507,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148124","CN(C)CCNc1ccc(Nc2nccc(n2)-c2ccc(N3CCC(O)CC3)c(c2)C#N)cn1","InChI=1S/C25H30N8O/c1-32(2)14-11-27-24-6-4-20(17-29-24)30-25-28-10-7-22(31-25)18-3-5-23(19(15-18)16-26)33-12-8-21(34)9-13-33/h3-7,10,15,17,21,34H,8-9,11-14H2,1-2H3,(H,27,29)(H,28,30,31)","YCJNUXDJGVNYGW-UHFFFAOYSA-N",null,"<300",{"$nulls":4},7.5]
["D11971",15582,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148100","CN(C)CCNc1ccc(Nc2nccc(n2)-c2ccc(N3CCCC3)c(c2)C#N)cn1","InChI=1S/C24H28N8/c1-31(2)14-11-26-23-8-6-20(17-28-23)29-24-27-10-9-21(30-24)18-5-7-22(19(15-18)16-25)32-12-3-4-13-32/h5-10,15,17H,3-4,11-14H2,1-2H3,(H,26,28)(H,27,29,30)","RBBVRVUYOVMAMC-UHFFFAOYSA-N",null,"<30",{"$nulls":4},7.5]
["D11972",16510,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148131","CN(C)CCNc1ccc(Nc2nccc(n2)-c2ccc(N3CCC[C@@H]3C(N)=O)c(c2)C#N)cn1","InChI=1S/C25H29N9O/c1-33(2)13-11-28-23-8-6-19(16-30-23)31-25-29-10-9-20(32-25)17-5-7-21(18(14-17)15-26)34-12-3-4-22(34)24(27)35/h5-10,14,16,22H,3-4,11-13H2,1-2H3,(H2,27,35)(H,28,30)(H,29,31,32)/t22-/m1/s1","QOTZPVWTNYTSNI-JOCHJYFZSA-N",null,"<300",{"$nulls":4},7.5]
["D11973",15598,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148128","CN(C)CCNc1ccc(Nc2nccc(n2)-c2ccc(N3CC[C@H](F)C3)c(c2)C#N)cn1","InChI=1S/C24H27FN8/c1-32(2)12-10-27-23-6-4-20(15-29-23)30-24-28-9-7-21(31-24)17-3-5-22(18(13-17)14-26)33-11-8-19(25)16-33/h3-7,9,13,15,19H,8,10-12,16H2,1-2H3,(H,27,29)(H,28,30,31)/t19-/m0/s1","NGQHJZXAWIBXQH-IBGZPJMESA-N",null,"<30",{"$nulls":4},7.5]
["D11974",15595,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148121","CN(C)CCNc1ccc(Nc2nccc(n2)-c2ccc(N3CC[C@H](O)C3)c(c2)C#N)cn1","InChI=1S/C24H28N8O/c1-31(2)12-10-26-23-6-4-19(15-28-23)29-24-27-9-7-21(30-24)17-3-5-22(18(13-17)14-25)32-11-8-20(33)16-32/h3-7,9,13,15,20,33H,8,10-12,16H2,1-2H3,(H,26,28)(H,27,29,30)/t20-/m0/s1","XVPLDOMJRPSLNW-FQEVSTJZSA-N",null,"<30",{"$nulls":4},7.5]
["D11975",15585,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148103","CN(C)CCOc1ccc(Nc2nccc(n2)-c2ccc(N3CCCC3)c(c2)C#N)cn1","InChI=1S/C24H27N7O/c1-30(2)13-14-32-23-8-6-20(17-27-23)28-24-26-10-9-21(29-24)18-5-7-22(19(15-18)16-25)31-11-3-4-12-31/h5-10,15,17H,3-4,11-14H2,1-2H3,(H,26,28,29)","WCOBYEYBTIFDHO-UHFFFAOYSA-N",null,"<30",{"$nulls":4},7.5]
["D11976",25871,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM17055","CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21","InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1","ZCBUQCWBWNUWSU-SFHVURJKSA-N",null,null,">10000"]
["D11977",4088,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66978","CN(C)C\\C=C(/c1ccc(Br)cc1)c1cccnc1","InChI=1S/C16H17BrN2/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13/h3-10,12H,11H2,1-2H3/b16-9+","OYPPVKRFBIWMSX-CXUHLZMHSA-N",{"$nulls":3},">350000"]
["D11978",25899,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM50322823","CN(C)C\\C=C\\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1","InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1","ULXXDDBFHOBEHA-CWDCEQMOSA-N",null,null,">10000"]
["D11979",14,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401902","CN(C)Cc1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C24H34N6O/c1-30(2)16-17-7-11-20(12-8-17)28-24-27-15-21(18-9-10-18)22(29-24)25-13-4-14-26-23(31)19-5-3-6-19/h7-8,11-12,15,18-19H,3-6,9-10,13-14,16H2,1-2H3,(H,26,31)(H2,25,27,28,29)","FVHHRIHFFRQXRD-UHFFFAOYSA-N",null,550]
["D11980",4214,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66225","CN(C)Cc1ccc(O)c(CCc2ccccc2)n1","InChI=1S/C16H20N2O/c1-18(2)12-14-9-11-16(19)15(17-14)10-8-13-6-4-3-5-7-13/h3-7,9,11,19H,8,10,12H2,1-2H3","YIRJSRSICRNWHR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11981",16090,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276879","CN(C)Cc1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C28H28N4O2/c1-32(2)18-19-3-5-20(6-4-19)26-16-25-24(9-12-30-28(25)31-26)21-7-8-27(22(15-21)17-29)34-23-10-13-33-14-11-23/h3-9,12,15-16,23H,10-11,13-14,18H2,1-2H3,(H,30,31)","BXLOFFCDXFSKIE-UHFFFAOYSA-N",null,1.74]
["D11982",16929,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277075","CN(C)Cc1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)C(F)F)c(c1)C#N","InChI=1S/C28H27F2N7O2/c1-36(2)15-17-3-5-18(6-4-17)26-34-24-23(32-16-33-27(24)35-26)19-7-8-22(20(13-19)14-31)39-21-9-11-37(12-10-21)28(38)25(29)30/h3-8,13,16,21,25H,9-12,15H2,1-2H3,(H,32,33,34,35)","OMWKEJOTYAGCFP-UHFFFAOYSA-N",null,1000]
["D11983",16998,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205214","CN(C)Cc1ccc(cc1)C(=O)Nc1sc(nc1C(N)=O)-c1ccncc1","InChI=1S/C19H19N5O2S/c1-24(2)11-12-3-5-13(6-4-12)17(26)23-19-15(16(20)25)22-18(27-19)14-7-9-21-10-8-14/h3-10H,11H2,1-2H3,(H2,20,25)(H,23,26)","XDLOBCCVWSDDPG-UHFFFAOYSA-N",null,1250,{"$nulls":4},7.5,"30.00 C"]
["D11984",14834,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276880","CN(C)Cc1cccc(c1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C28H28N4O2/c1-32(2)18-19-4-3-5-21(14-19)26-16-25-24(8-11-30-28(25)31-26)20-6-7-27(22(15-20)17-29)34-23-9-12-33-13-10-23/h3-8,11,14-16,23H,9-10,12-13,18H2,1-2H3,(H,30,31)","SSFXUEWPQPILFO-UHFFFAOYSA-N",null,6.12]
["D11985",15186,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144144","CN(C)Cc1ccnc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1","InChI=1S/C25H27N5O2/c1-30(2)17-18-5-9-27-24(13-18)29-25-15-20(6-10-28-25)19-3-4-23(21(14-19)16-26)32-22-7-11-31-12-8-22/h3-6,9-10,13-15,22H,7-8,11-12,17H2,1-2H3,(H,27,28,29)","KHKGVBAGOBQZSK-UHFFFAOYSA-N",null,14,{"$nulls":4},7.5,"30.00 C"]
["D11986",31833,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67103","CN(C)Cc1nc2ccccc2c(=O)n1Cc1nc(cs1)-c1cccc(c1)[N+]([O-])=O","InChI=1S/C21H19N5O3S/c1-24(2)11-19-22-17-9-4-3-8-16(17)21(27)25(19)12-20-23-18(13-30-20)14-6-5-7-15(10-14)26(28)29/h3-10,13H,11-12H2,1-2H3","BSFKSPMFIITGFW-UHFFFAOYSA-N",null,">18560"]
["D11987",31850,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67141","CN(C)Cc1nc2ccccc2c(=O)n1Cc1nc(cs1)C(C)(C)C","InChI=1S/C19H24N4OS/c1-19(2,3)15-12-25-17(21-15)11-23-16(10-22(4)5)20-14-9-7-6-8-13(14)18(23)24/h6-9,12H,10-11H2,1-5H3","IYYWVEYNNZCCFO-UHFFFAOYSA-N",null,27982]
["D11988",32099,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46389","CN(C)S(=O)(=O)Oc1cccc(c1)C(=O)Nc1ccc(Cl)cc1","InChI=1S/C15H15ClN2O4S/c1-18(2)23(20,21)22-14-5-3-4-11(10-14)15(19)17-13-8-6-12(16)7-9-13/h3-10H,1-2H3,(H,17,19)","HEVAISJKFSCVHX-UHFFFAOYSA-N",null,">55700"]
["D11989",12183,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87321","CN(C)S(=O)(=O)c1ccc(N2CCN(CC2)S(=O)(=O)c2ccc(F)cc2)c(Cl)c1","InChI=1S/C18H21ClFN3O4S2/c1-21(2)28(24,25)16-7-8-18(17(19)13-16)22-9-11-23(12-10-22)29(26,27)15-5-3-14(20)4-6-15/h3-8,13H,9-12H2,1-2H3","HJAPVMMLKRVSJW-UHFFFAOYSA-N",null,7881]
["D11990",4481,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66451","CN(C)S(=O)(=O)c1ccc(cc1)C(=O)NCc1nnc(SCC(=O)Nc2cccc(C)c2)n1-c1ccc(F)cc1","InChI=1S/C27H27FN6O4S2/c1-18-5-4-6-21(15-18)30-25(35)17-39-27-32-31-24(34(27)22-11-9-20(28)10-12-22)16-29-26(36)19-7-13-23(14-8-19)40(37,38)33(2)3/h4-15H,16-17H2,1-3H3,(H,29,36)(H,30,35)","QFPWHIKBYKKYMB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11991",32065,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM37205","CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc(cs1)-c1cccs1","InChI=1S/C16H15N3O3S3/c1-19(2)25(21,22)12-7-5-11(6-8-12)15(20)18-16-17-13(10-24-16)14-4-3-9-23-14/h3-10H,1-2H3,(H,17,18,20)","OZCWRZJOJLPDDW-UHFFFAOYSA-N",null,">55700"]
["D11992",11971,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43104","CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(nc3ccccc23)-c2cccc(Br)c2)c1","InChI=1S/C26H22BrN3O5S/c1-30(2)36(33,34)20-10-6-9-19(14-20)28-25(31)16-35-26(32)22-15-24(17-7-5-8-18(27)13-17)29-23-12-4-3-11-21(22)23/h3-15H,16H2,1-2H3,(H,28,31)","PEHVQDUOAIDAOO-UHFFFAOYSA-N",{"$nulls":3},21140]
["D11993",3893,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66814","CN(C)S(=O)(=O)c1cccc(c1)C(=O)Nc1nnc([nH]1)C(F)(F)F","InChI=1S/C12H12F3N5O3S/c1-20(2)24(22,23)8-5-3-4-7(6-8)9(21)16-11-17-10(18-19-11)12(13,14)15/h3-6H,1-2H3,(H2,16,17,18,19,21)","UAPGKKDWTVYFKD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D11994",12077,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM67666","CN(C)\\C=C\\C(=O)c1ccc2noc(-c3ccccc3)c2c1","InChI=1S/C18H16N2O2/c1-20(2)11-10-17(21)14-8-9-16-15(12-14)18(22-19-16)13-6-4-3-5-7-13/h3-12H,1-2H3/b11-10+","HSWYKBXCUZHENK-ZHACJKMWSA-N",null,3723]
["D11995",31787,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM37164","CN(C)\\C=C\\c1onc(C)c1S(=O)(=O)N1CCc2ccccc12","InChI=1S/C16H19N3O3S/c1-12-16(15(22-17-12)9-10-18(2)3)23(20,21)19-11-8-13-6-4-5-7-14(13)19/h4-7,9-10H,8,11H2,1-3H3/b10-9+","DCQKRYGEPWLIPY-MDZDMXLPSA-N",{"$nulls":3},">55700"]
["D11996",4639,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66584","CN(C)\\C=N\\C(=O)c1cc(c[nH]1)C(=O)c1ccc(Cl)cc1Cl","InChI=1S/C15H13Cl2N3O2/c1-20(2)8-19-15(22)13-5-9(7-18-13)14(21)11-4-3-10(16)6-12(11)17/h3-8,18H,1-2H3/b19-8+","CYXZHEBXLGRQGU-UFWORHAWSA-N",{"$nulls":3},">350000"]
["D11997",12158,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM5518","CN(C)\\C=N\\c1c(sc2nccc(N(C)C)c12)C(=O)c1ccccc1","InChI=1S/C19H20N4OS/c1-22(2)12-21-16-15-14(23(3)4)10-11-20-19(15)25-18(16)17(24)13-8-6-5-7-9-13/h5-12H,1-4H3/b21-12+","QWCQBDVIOBSXCW-CIAFOILYSA-N",null,6816]
["D11998",15568,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478759","CN(C)c1cc(ccn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C28H32N8O/c1-34(2)26-17-22(8-10-30-26)21-5-6-23-24(16-21)32-28(31-23)33-25-15-19(7-9-29-25)18-35-11-13-36(14-12-35)27(37)20-3-4-20/h5-10,15-17,20H,3-4,11-14,18H2,1-2H3,(H2,29,31,32,33)","PGJOLDGOVKYSSO-UHFFFAOYSA-N",null,30]
["D11999",15407,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50520175","CN(C)c1cc(ccn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C27H29F3N8O/c1-36(2)24-15-20(6-8-32-24)19-3-4-21-22(14-19)34-26(33-21)35-23-13-18(5-7-31-23)17-37-9-11-38(12-10-37)25(39)16-27(28,29)30/h3-8,13-15H,9-12,16-17H2,1-2H3,(H2,31,33,34,35)","AKBNGGYXMZTHEB-UHFFFAOYSA-N",null,23]
["D12000",15920,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478757","CN(C)c1cc(ccn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C29H36N8O2/c1-29(2,3)39-28(38)37-14-12-36(13-15-37)19-20-8-10-30-25(16-20)34-27-32-23-7-6-21(17-24(23)33-27)22-9-11-31-26(18-22)35(4)5/h6-11,16-18H,12-15,19H2,1-5H3,(H2,30,32,33,34)","VBDZLLCXDPCBNS-UHFFFAOYSA-N",null,71]
["D12001",16837,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478912","CN(C)c1cc(nc(C)n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C27H30F3N9O/c1-17-32-21(14-24(33-17)37(2)3)19-4-5-20-22(13-19)35-26(34-20)36-23-12-18(6-7-31-23)16-38-8-10-39(11-9-38)25(40)15-27(28,29)30/h4-7,12-14H,8-11,15-16H2,1-3H3,(H2,31,34,35,36)","JLALDRSXSOLPJQ-UHFFFAOYSA-N",null,868]
["D12002",14698,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478783","CN(C)c1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C27H31N9O/c1-34(2)25-15-22(29-17-30-25)20-5-6-21-23(14-20)32-27(31-21)33-24-13-18(7-8-28-24)16-35-9-11-36(12-10-35)26(37)19-3-4-19/h5-8,13-15,17,19H,3-4,9-12,16H2,1-2H3,(H2,28,31,32,33)","YYIWSXHAKWKPPJ-UHFFFAOYSA-N",null,4.8]
["D12003",14943,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50520158","CN(C)c1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C26H28F3N9O/c1-36(2)23-13-20(31-16-32-23)18-3-4-19-21(12-18)34-25(33-19)35-22-11-17(5-6-30-22)15-37-7-9-38(10-8-37)24(39)14-26(27,28)29/h3-6,11-13,16H,7-10,14-15H2,1-2H3,(H2,30,33,34,35)","SNJRVUBJSCKVLN-UHFFFAOYSA-N",null,8.2]
["D12004",15315,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478781","CN(C)c1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C28H35N9O2/c1-28(2,3)39-27(38)37-12-10-36(11-13-37)17-19-8-9-29-24(14-19)34-26-32-21-7-6-20(15-23(21)33-26)22-16-25(35(4)5)31-18-30-22/h6-9,14-16,18H,10-13,17H2,1-5H3,(H2,29,32,33,34)","VBUDOGXOVCMTFY-UHFFFAOYSA-N",null,18]
["D12005",25734,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50470382","CN(C)c1cc[n+](CCCCCCCCCC[n+]2ccc(N(C)C)c3ccccc23)c2ccccc12","InChI=1S/C32H44N4/c1-33(2)29-21-25-35(31-19-13-11-17-27(29)31)23-15-9-7-5-6-8-10-16-24-36-26-22-30(34(3)4)28-18-12-14-20-32(28)36/h11-14,17-22,25-26H,5-10,15-16,23-24H2,1-4H3/q+2","WKUWQOOBTXYONE-UHFFFAOYSA-N",null,1400]
["D12006",12102,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87343","CN(C)c1ccc(CNC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)cc1","InChI=1S/C17H22BrN5O3S/c1-23(2)14-5-3-12(4-6-14)10-20-16(24)7-8-22-27(25,26)15-9-13(18)11-21-17(15)19/h3-6,9,11,22H,7-8,10H2,1-2H3,(H2,19,21)(H,20,24)","YKNBSNHMLAKGNJ-UHFFFAOYSA-N",null,4337]
["D12007",32378,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50509747","CN(C)c1ccc(CNC(=O)c2cc(CC=C(C)C)cc(\\C=C\\C(O)=O)c2)cc1","InChI=1S/C24H28N2O3/c1-17(2)5-6-19-13-20(9-12-23(27)28)15-21(14-19)24(29)25-16-18-7-10-22(11-8-18)26(3)4/h5,7-15H,6,16H2,1-4H3,(H,25,29)(H,27,28)/b12-9+","KWSYJRGLWRXWDC-FMIVXFBMSA-N",null,59000]
["D12008",4670,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66610","CN(C)c1ccc(NC(=O)C2CCCN(C2)S(=O)(=O)c2ccccc2)cc1","InChI=1S/C20H25N3O3S/c1-22(2)18-12-10-17(11-13-18)21-20(24)16-7-6-14-23(15-16)27(25,26)19-8-4-3-5-9-19/h3-5,8-13,16H,6-7,14-15H2,1-2H3,(H,21,24)","BJEVIAXUQQSMMG-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12009",15578,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148086","CN(C)c1ccc(Nc2nccc(n2)-c2ccc(N3CCCC3)c(c2)C#N)cn1","InChI=1S/C22H23N7/c1-28(2)21-8-6-18(15-25-21)26-22-24-10-9-19(27-22)16-5-7-20(17(13-16)14-23)29-11-3-4-12-29/h5-10,13,15H,3-4,11-12H2,1-2H3,(H,24,26,27)","VASPCOGGWPBHAK-UHFFFAOYSA-N",null,"<30",{"$nulls":4},7.5]
["D12010",11789,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87583","CN(C)c1ccc(Nc2ncnc3ccc(Br)cc23)cc1","InChI=1S/C16H15BrN4/c1-21(2)13-6-4-12(5-7-13)20-16-14-9-11(17)3-8-15(14)18-10-19-16/h3-10H,1-2H3,(H,18,19,20)","YJXQXNMNLWGBKZ-UHFFFAOYSA-N",null,2090]
["D12011",12138,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87318","CN(C)c1ccc(\\C=C\\c2ccc3ccccc3n2)cc1","InChI=1S/C19H18N2/c1-21(2)18-13-8-15(9-14-18)7-11-17-12-10-16-5-3-4-6-19(16)20-17/h3-14H,1-2H3/b11-7+","YMIKUHVSRFHPOP-YRNVUSSQSA-N",null,5647]
["D12012",11763,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM52401","CN(C)c1ccc(\\C=C\\c2nc3ccccc3s2)cc1","InChI=1S/C17H16N2S/c1-19(2)14-10-7-13(8-11-14)9-12-17-18-15-5-3-4-6-16(15)20-17/h3-12H,1-2H3/b12-9+","MVMOMSLTZMMLJR-FMIVXFBMSA-N",null,">147.63"]
["D12013",4813,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50305870","CN(C)c1ccc(cc1)-c1cc2onc(-c3ccccc3)c2c(=O)n1C","InChI=1S/C21H19N3O2/c1-23(2)16-11-9-14(10-12-16)17-13-18-19(21(25)24(17)3)20(22-26-18)15-7-5-4-6-8-15/h4-13H,1-3H3","PQAPPBGOLPCBEP-UHFFFAOYSA-N",null,140]
["D12014",17656,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50519662","CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1","InChI=1S/C26H23N3O5/c1-29(2)20-8-6-17(7-9-20)26(32)28-19-5-3-4-18(14-19)27-25(31)16-34-21-10-11-22-23(30)12-13-33-24(22)15-21/h3-15H,16H2,1-2H3,(H,27,31)(H,28,32)","WVGDUQVQWLHVEA-UHFFFAOYSA-N",null,">10000"]
["D12015",17058,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205231","CN(C)c1ccc(cc1)C(=O)Nc1sc(nc1C(N)=O)-c1ccncc1","InChI=1S/C18H17N5O2S/c1-23(2)13-5-3-11(4-6-13)16(25)22-18-14(15(19)24)21-17(26-18)12-7-9-20-10-8-12/h3-10H,1-2H3,(H2,19,24)(H,22,25)","HGORPAVLUZYBBK-UHFFFAOYSA-N",null,1800,{"$nulls":4},7.5,"30.00 C"]
["D12016",12313,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87290","CN(C)c1ccc(cc1)C(=S)Nc1ccccc1","InChI=1S/C15H16N2S/c1-17(2)14-10-8-12(9-11-14)15(18)16-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,16,18)","YHLDLUMVWQSJHW-UHFFFAOYSA-N",null,">35869"]
["D12017",11886,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43034","CN(C)c1ccc(cc1)\\N=C\\C=C1/N(C)c2ccccc2C1(C)C","InChI=1S/C21H25N3/c1-21(2)18-8-6-7-9-19(18)24(5)20(21)14-15-22-16-10-12-17(13-11-16)23(3)4/h6-15H,1-5H3/b20-14-,22-15+","JWYJYJWDFHHNRC-UAKSEAGPSA-N",{"$nulls":3},">79370"]
["D12018",4665,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66605","CN(C)c1ccc(cc1[N+]([O-])=O)S(=O)(=O)N(C)C","InChI=1S/C10H15N3O4S/c1-11(2)9-6-5-8(7-10(9)13(14)15)18(16,17)12(3)4/h5-7H,1-4H3","RTMPGTFARXUPKX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12019",15231,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246092","CN(C)c1ccc(nc1C#N)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1","InChI=1S/C22H23N7O/c1-28(2)21-8-7-18(26-20(21)15-23)19-9-10-24-22(27-19)25-16-3-5-17(6-4-16)29-11-13-30-14-12-29/h3-10H,11-14H2,1-2H3,(H,24,25,27)","MEPJRPUANBWQJV-UHFFFAOYSA-N",null,"<15",{"$nulls":4},7.5]
["D12020",16712,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50469235","CN(C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)-c1nn[nH]n1","InChI=1S/C15H13N7O2/c1-22(2)7-3-4-11-8(5-7)12(23)9-6-10(14-18-20-21-19-14)13(16)17-15(9)24-11/h3-6H,1-2H3,(H2,16,17)(H,18,19,20,21)","ZVBIBRJWIINCLT-UHFFFAOYSA-N",null,525]
["D12021",16593,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357931","CN(C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(=N)NN","InChI=1S/C15H16N6O2/c1-21(2)7-3-4-11-8(5-7)12(22)9-6-10(14(17)20-18)13(16)19-15(9)23-11/h3-6H,18H2,1-2H3,(H2,16,19)(H2,17,20)","BERWISSCWSCJJN-UHFFFAOYSA-N",null,410]
["D12022",16584,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357930","CN(C)c1ccc2oc3nc(N)c(cc3c(=O)c2c1)C(O)=O","InChI=1S/C15H13N3O4/c1-18(2)7-3-4-11-8(5-7)12(19)9-6-10(15(20)21)13(16)17-14(9)22-11/h3-6H,1-2H3,(H2,16,17)(H,20,21)","LMYWODFJWTXJTI-UHFFFAOYSA-N",null,400]
["D12023",3509,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565047","CN(C)c1cccc(C2CCc3c(C2)cnn(-c2ncccn2)c3=O)c1C","InChI=1S/C21H23N5O/c1-14-17(6-4-7-19(14)25(2)3)15-8-9-18-16(12-15)13-24-26(20(18)27)21-22-10-5-11-23-21/h4-7,10-11,13,15H,8-9,12H2,1-3H3","IGPLDYUJNMQZSQ-UHFFFAOYSA-N",null,"<500"]
["D12024",4808,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50305873","CN(C)c1cccc(c1)-c1cc2onc(-c3ccccc3)c2c(=O)n1C","InChI=1S/C21H19N3O2/c1-23(2)16-11-7-10-15(12-16)17-13-18-19(21(25)24(17)3)20(22-26-18)14-8-5-4-6-9-14/h4-13H,1-3H3","IKUFYBIIBBPPDR-UHFFFAOYSA-N",null,31]
["D12025",3486,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565011","CN(C)c1cccc(c1)C1CCc2c(C1)cnn(-c1ccccn1)c2=O","InChI=1S/C21H22N4O/c1-24(2)18-7-5-6-15(13-18)16-9-10-19-17(12-16)14-23-25(21(19)26)20-8-3-4-11-22-20/h3-8,11,13-14,16H,9-10,12H2,1-2H3","BWFUDBWVVZTIEU-UHFFFAOYSA-N",null,"<500"]
["D12026",16554,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478900","CN(C)c1ccnc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C27H31N9O/c1-34(2)24-8-10-29-25(33-24)20-5-6-21-22(16-20)31-27(30-21)32-23-15-18(7-9-28-23)17-35-11-13-36(14-12-35)26(37)19-3-4-19/h5-10,15-16,19H,3-4,11-14,17H2,1-2H3,(H2,28,30,31,32)","LSKRCVDSWJSOGT-UHFFFAOYSA-N",null,362]
["D12027",16315,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478899","CN(C)c1ccnc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C26H28F3N9O/c1-36(2)22-6-8-31-24(35-22)18-3-4-19-20(14-18)33-25(32-19)34-21-13-17(5-7-30-21)16-37-9-11-38(12-10-37)23(39)15-26(27,28)29/h3-8,13-14H,9-12,15-16H2,1-2H3,(H2,30,32,33,34)","GRDDVPVSEHASQO-UHFFFAOYSA-N",null,152]
["D12028",16812,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478898","CN(C)c1ccnc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C28H35N9O2/c1-28(2,3)39-27(38)37-14-12-36(13-15-37)18-19-8-10-29-23(16-19)33-26-31-21-7-6-20(17-22(21)32-26)25-30-11-9-24(34-25)35(4)5/h6-11,16-17H,12-15,18H2,1-5H3,(H2,29,31,32,33)","NBBQSKWLYZVEAE-UHFFFAOYSA-N",null,791]
["D12029",16608,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478786","CN(C)c1cnc(cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C27H31N9O/c1-34(2)25-16-29-23(15-30-25)20-5-6-21-22(14-20)32-27(31-21)33-24-13-18(7-8-28-24)17-35-9-11-36(12-10-35)26(37)19-3-4-19/h5-8,13-16,19H,3-4,9-12,17H2,1-2H3,(H2,28,31,32,33)","AYPYNNPBVIHOGH-UHFFFAOYSA-N",null,440]
["D12030",16545,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478785","CN(C)c1cnc(cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C26H28F3N9O/c1-36(2)23-15-31-21(14-32-23)18-3-4-19-20(12-18)34-25(33-19)35-22-11-17(5-6-30-22)16-37-7-9-38(10-8-37)24(39)13-26(27,28)29/h3-6,11-12,14-15H,7-10,13,16H2,1-2H3,(H2,30,33,34,35)","GBRMAVMRZICUAC-UHFFFAOYSA-N",null,350]
["D12031",16705,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478784","CN(C)c1cnc(cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C28H35N9O2/c1-28(2,3)39-27(38)37-12-10-36(11-13-37)18-19-8-9-29-24(14-19)34-26-32-21-7-6-20(15-22(21)33-26)23-16-31-25(17-30-23)35(4)5/h6-9,14-17H,10-13,18H2,1-5H3,(H2,29,32,33,34)","YJRPQJHPSADWTK-UHFFFAOYSA-N",null,510]
["D12032",17035,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478925","CN(C)c1cncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C28H35N9O2/c1-28(2,3)39-27(38)37-12-10-36(11-13-37)17-19-8-9-30-24(14-19)34-26-32-21-7-6-20(15-22(21)33-26)25-23(35(4)5)16-29-18-31-25/h6-9,14-16,18H,10-13,17H2,1-5H3,(H2,30,32,33,34)","YAKYVVYGVCJOCJ-UHFFFAOYSA-N",null,1530]
["D12033",16590,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478891","CN(C)c1nc(C)cc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C27H30F3N9O/c1-17-12-21(35-26(32-17)37(2)3)19-4-5-20-22(14-19)34-25(33-20)36-23-13-18(6-7-31-23)16-38-8-10-39(11-9-38)24(40)15-27(28,29)30/h4-7,12-14H,8-11,15-16H2,1-3H3,(H2,31,33,34,36)","KFZMTDDEESADLU-UHFFFAOYSA-N",null,402]
["D12034",16842,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478890","CN(C)c1nc(C)cc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C29H37N9O2/c1-19-15-23(34-27(31-19)36(5)6)21-7-8-22-24(17-21)33-26(32-22)35-25-16-20(9-10-30-25)18-37-11-13-38(14-12-37)28(39)40-29(2,3)4/h7-10,15-17H,11-14,18H2,1-6H3,(H2,30,32,33,35)","FOEFESGDJNRZRW-UHFFFAOYSA-N",null,890]
["D12035",11825,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM33066","CN(C)c1ncc(s1)C1=C(Cl)C(=O)C(N2CCCC2)=C(Cl)C1=O","InChI=1S/C15H15Cl2N3O2S/c1-19(2)15-18-7-8(23-15)9-10(16)14(22)12(11(17)13(9)21)20-5-3-4-6-20/h7H,3-6H2,1-2H3","FWYHMWQCWYBONJ-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D12036",17021,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478927","CN(C)c1nccnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C27H31N9O/c1-34(2)25-24(29-9-10-30-25)20-5-6-21-22(16-20)32-27(31-21)33-23-15-18(7-8-28-23)17-35-11-13-36(14-12-35)26(37)19-3-4-19/h5-10,15-16,19H,3-4,11-14,17H2,1-2H3,(H2,28,31,32,33)","TWNWBHLFPYDJQD-UHFFFAOYSA-N",null,1420]
["D12037",17059,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478926","CN(C)c1nccnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C26H28F3N9O/c1-36(2)24-23(31-7-8-32-24)18-3-4-19-20(14-18)34-25(33-19)35-21-13-17(5-6-30-21)16-37-9-11-38(12-10-37)22(39)15-26(27,28)29/h3-8,13-14H,9-12,15-16H2,1-2H3,(H2,30,33,34,35)","BGLNMZRKPWYOJY-UHFFFAOYSA-N",null,1830]
["D12038",17001,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478894","CN(C)c1ncnc(-c2ccc3nc(Nc4cc(CN5CCN(CC5)C(=O)C5CC5)ccn4)[nH]c3c2)c1Cl","InChI=1S/C27H30ClN9O/c1-35(2)25-23(28)24(30-16-31-25)19-5-6-20-21(14-19)33-27(32-20)34-22-13-17(7-8-29-22)15-36-9-11-37(12-10-36)26(38)18-3-4-18/h5-8,13-14,16,18H,3-4,9-12,15H2,1-2H3,(H2,29,32,33,34)","KWYTTZHOFJQCKC-UHFFFAOYSA-N",null,1260]
["D12039",16978,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50520173","CN(C)c1ncnc(-c2ccc3nc(Nc4cc(CN5CCN(CC5)C(=O)CC(F)(F)F)ccn4)[nH]c3c2)c1Cl","InChI=1S/C26H27ClF3N9O/c1-37(2)24-22(27)23(32-15-33-24)17-3-4-18-19(12-17)35-25(34-18)36-20-11-16(5-6-31-20)14-38-7-9-39(10-8-38)21(40)13-26(28,29)30/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H2,31,34,35,36)","FNGNFKLDKUCGLD-UHFFFAOYSA-N",null,1140]
["D12040",15353,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478831","CN(C)c1ncnc(-c2ccc3nc(Nc4cc(CN5CCN(CC5)C(=O)CC(F)(F)F)ccn4)[nH]c3c2)c1F","InChI=1S/C26H27F4N9O/c1-37(2)24-22(27)23(32-15-33-24)17-3-4-18-19(12-17)35-25(34-18)36-20-11-16(5-6-31-20)14-38-7-9-39(10-8-38)21(40)13-26(28,29)30/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H2,31,34,35,36)","PAKPBOZVPAFZMU-UHFFFAOYSA-N",null,20]
["D12041",17393,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478892","CN(C)c1ncnc(-c2ccc3nc(Nc4cc(CN5CCN(CC5)C(=O)OC(C)(C)C)ccn4)[nH]c3c2)c1Cl","InChI=1S/C28H34ClN9O2/c1-28(2,3)40-27(39)38-12-10-37(11-13-38)16-18-8-9-30-22(14-18)35-26-33-20-7-6-19(15-21(20)34-26)24-23(29)25(36(4)5)32-17-31-24/h6-9,14-15,17H,10-13,16H2,1-5H3,(H2,30,33,34,35)","BIMNWSOXYAESHV-UHFFFAOYSA-N",null,3010]
["D12042",15731,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397656","CN(C1CC1)C(=O)CNc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C21H22N6O2/c1-27(16-6-7-16)20(28)12-24-17-8-14(4-5-15(17)9-22)18-10-25-19(11-23-18)26-21(29)13-2-3-13/h4-5,8,10-11,13,16,24H,2-3,6-7,12H2,1H3,(H,25,26,29)","WXWPPDXGGGTVOJ-UHFFFAOYSA-N",null,39.8]
["D12043",4138,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67024","CN(C1CC1)C(=O)c1ccc(NC(=O)C2CCCN(C2)C(=O)OC(C)(C)C)cc1","InChI=1S/C22H31N3O4/c1-22(2,3)29-21(28)25-13-5-6-16(14-25)19(26)23-17-9-7-15(8-10-17)20(27)24(4)18-11-12-18/h7-10,16,18H,5-6,11-14H2,1-4H3,(H,23,26)","NJMBEGWSLRZUGH-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12044",14899,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478820","CN(C1CC1)c1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C29H33N9O/c1-36(22-5-6-22)27-16-24(31-18-32-27)21-4-7-23-25(15-21)34-29(33-23)35-26-14-19(8-9-30-26)17-37-10-12-38(13-11-37)28(39)20-2-3-20/h4,7-9,14-16,18,20,22H,2-3,5-6,10-13,17H2,1H3,(H2,30,33,34,35)","LJGWTQSEHOQGRH-UHFFFAOYSA-N",null,7.6]
["D12045",14961,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478819","CN(C1CC1)c1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C28H30F3N9O/c1-38(20-3-4-20)25-14-22(33-17-34-25)19-2-5-21-23(13-19)36-27(35-21)37-24-12-18(6-7-32-24)16-39-8-10-40(11-9-39)26(41)15-28(29,30)31/h2,5-7,12-14,17,20H,3-4,8-11,15-16H2,1H3,(H2,32,35,36,37)","XJNCCKMPQCZFJI-UHFFFAOYSA-N",null,8.9]
["D12046",15426,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478818","CN(C1CC1)c1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C30H37N9O2/c1-30(2,3)41-29(40)39-13-11-38(12-14-39)18-20-9-10-31-26(15-20)36-28-34-23-8-5-21(16-25(23)35-28)24-17-27(33-19-32-24)37(4)22-6-7-22/h5,8-10,15-17,19,22H,6-7,11-14,18H2,1-4H3,(H2,31,34,35,36)","LLHAOTUDGNNJNW-UHFFFAOYSA-N",null,25]
["D12047",15337,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478817","CN(C1CCC1)c1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C30H35N9O/c1-37(23-3-2-4-23)28-17-25(32-19-33-28)22-7-8-24-26(16-22)35-30(34-24)36-27-15-20(9-10-31-27)18-38-11-13-39(14-12-38)29(40)21-5-6-21/h7-10,15-17,19,21,23H,2-6,11-14,18H2,1H3,(H2,31,34,35,36)","PZBWNVXKPANVLK-UHFFFAOYSA-N",null,19]
["D12048",15039,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478816","CN(C1CCC1)c1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C29H32F3N9O/c1-39(21-3-2-4-21)26-15-23(34-18-35-26)20-5-6-22-24(14-20)37-28(36-22)38-25-13-19(7-8-33-25)17-40-9-11-41(12-10-40)27(42)16-29(30,31)32/h5-8,13-15,18,21H,2-4,9-12,16-17H2,1H3,(H2,33,36,37,38)","BRFLLVVNUSSLMV-UHFFFAOYSA-N",null,9.3]
["D12049",15716,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478815","CN(C1CCC1)c1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C31H39N9O2/c1-31(2,3)42-30(41)40-14-12-39(13-15-40)19-21-10-11-32-27(16-21)37-29-35-24-9-8-22(17-26(24)36-29)25-18-28(34-20-33-25)38(4)23-6-5-7-23/h8-11,16-18,20,23H,5-7,12-15,19H2,1-4H3,(H2,32,35,36,37)","SJEPZEYYSMUCMN-UHFFFAOYSA-N",null,38]
["D12050",3936,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66851","CN(C1CCCN(Cc2ccccc2F)C1)C(=O)CSc1ccncc1","InChI=1S/C20H24FN3OS/c1-23(20(25)15-26-18-8-10-22-11-9-18)17-6-4-12-24(14-17)13-16-5-2-3-7-19(16)21/h2-3,5,7-11,17H,4,6,12-15H2,1H3","FALWUVFFLVTECV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12051",16440,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397702","CN(C1CCOC1)C(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C21H23N7O3/c1-28(15-4-5-31-12-15)20(29)11-25-16-6-14(8-23-17(16)7-22)18-9-26-19(10-24-18)27-21(30)13-2-3-13/h6,8-10,13,15,25H,2-5,11-12H2,1H3,(H,26,27,30)","QRBJXXJDZYIACF-UHFFFAOYSA-N",null,251]
["D12052",16009,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246070","CN(C1CCOC1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1","InChI=1S/C25H28N8O2/c1-32(22-5-9-35-17-22)24-18(13-26)12-19(14-29-24)23-4-6-27-25(31-23)30-20-2-3-21(28-15-20)16-33-7-10-34-11-8-33/h2-4,6,12,14-15,22H,5,7-11,16-17H2,1H3,(H,27,30,31)","LWBOAGSIACUAGI-UHFFFAOYSA-N",null,"<100",{"$nulls":4},7.5]
["D12053",4691,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66623","CN(C1CCS(=O)(=O)C1)C(=O)CSc1nnc(n1N)C(F)(F)F","InChI=1S/C10H14F3N5O3S2/c1-17(6-2-3-23(20,21)5-6)7(19)4-22-9-16-15-8(18(9)14)10(11,12)13/h6H,2-5,14H2,1H3","QJAMIHAKFSZNDA-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12054",12272,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM7004","CN(C1CCS(=O)(=O)C1)c1ncnc2sc3CCCc3c12","InChI=1S/C14H17N3O2S2/c1-17(9-5-6-21(18,19)7-9)13-12-10-3-2-4-11(10)20-14(12)16-8-15-13/h8-9H,2-7H2,1H3","GMGYDFBSVHKIFV-UHFFFAOYSA-N",null,19854]
["D12055",17265,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397736","CN(C1CN(C)C1)C(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C21H24N8O2/c1-28-11-15(12-28)29(2)20(30)10-25-16-5-14(7-23-17(16)6-22)18-8-26-19(9-24-18)27-21(31)13-3-4-13/h5,7-9,13,15,25H,3-4,10-12H2,1-2H3,(H,26,27,31)","JGRUHZBYUVNVKY-UHFFFAOYSA-N",null,2512]
["D12056",15876,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397680","CN(CC#N)C(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C19H18N8O2/c1-27(5-4-20)18(28)11-24-14-6-13(8-22-15(14)7-21)16-9-25-17(10-23-16)26-19(29)12-2-3-12/h6,8-10,12,24H,2-3,5,11H2,1H3,(H,25,26,29)","WAGGHGHXGYHSEX-UHFFFAOYSA-N",null,63.1]
["D12057",31673,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50382459","CN(CC(=O)N(Cc1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)C(N)=O)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(C)cc1","InChI=1S/C37H33N3O7S/c1-24-3-18-32(19-4-24)48(46,47)39(2)23-35(42)40(31-17-20-33(37(44)45)34(41)21-31)22-25-5-7-26(8-6-25)27-9-11-28(12-10-27)29-13-15-30(16-14-29)36(38)43/h3-21,41H,22-23H2,1-2H3,(H2,38,43)(H,44,45)","KOVXOSJQVVRPFQ-UHFFFAOYSA-N",9500]
["D12058",31674,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50353445","CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(C)cc(C)cc1C","InChI=1S/C32H38N2O6S/c1-21-16-22(2)31(23(3)17-21)41(39,40)33(4)20-30(36)34(27-14-15-28(32(37)38)29(35)18-27)19-24-10-12-26(13-11-24)25-8-6-5-7-9-25/h10-18,25,35H,5-9,19-20H2,1-4H3,(H,37,38)","XRIZHIWNZHWNQG-UHFFFAOYSA-N",9700]
["D12059",31287,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1","Mus musculus","BDBM50353441","CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(C)cc1","InChI=1S/C30H34N2O6S/c1-21-8-15-26(16-9-21)39(37,38)31(2)20-29(34)32(25-14-17-27(30(35)36)28(33)18-25)19-22-10-12-24(13-11-22)23-6-4-3-5-7-23/h8-18,23,33H,3-7,19-20H2,1-2H3,(H,35,36)","DMZMMAPPHDCECB-UHFFFAOYSA-N",">25000"]
["D12060",31675,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50353435","CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(Cl)cc1","InChI=1S/C29H31ClN2O6S/c1-31(39(37,38)25-14-11-23(30)12-15-25)19-28(34)32(24-13-16-26(29(35)36)27(33)17-24)18-20-7-9-22(10-8-20)21-5-3-2-4-6-21/h7-17,21,33H,2-6,18-19H2,1H3,(H,35,36)","FCKLOCAKFGXTQF-UHFFFAOYSA-N",22000]
["D12061",31672,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50353444","CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(cc1)-c1ccccc1","InChI=1S/C35H36N2O6S/c1-36(44(42,43)31-19-16-29(17-20-31)27-10-6-3-7-11-27)24-34(39)37(30-18-21-32(35(40)41)33(38)22-30)23-25-12-14-28(15-13-25)26-8-4-2-5-9-26/h3,6-7,10-22,26,38H,2,4-5,8-9,23-24H2,1H3,(H,40,41)","GRZVRLZPDWYVKR-UHFFFAOYSA-N",8800]
["D12062",31677,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50382461","CN(CC(=O)N(Cc1ccc(cc1)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C#N)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(C)cc1","InChI=1S/C36H36N4O8S2/c1-25-3-12-31(13-4-25)49(45,46)38(2)24-35(42)40(30-11-16-33(36(43)44)34(41)21-30)23-27-5-9-28(10-6-27)29-17-19-39(20-18-29)50(47,48)32-14-7-26(22-37)8-15-32/h3-16,21,29,41H,17-20,23-24H2,1-2H3,(H,43,44)","SPAFCKGZPNCDEP-UHFFFAOYSA-N",">25000"]
["D12063",31680,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50382462","CN(CC(=O)N(Cc1ccc(cc1)C1CCN(CC1)c1ccc(cc1)C(N)=O)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(C)cc1","InChI=1S/C36H38N4O7S/c1-24-3-14-31(15-4-24)48(46,47)38(2)23-34(42)40(30-13-16-32(36(44)45)33(41)21-30)22-25-5-7-26(8-6-25)27-17-19-39(20-18-27)29-11-9-28(10-12-29)35(37)43/h3-16,21,27,41H,17-20,22-23H2,1-2H3,(H2,37,43)(H,44,45)","SNSKABVPQWBANT-UHFFFAOYSA-N",27800]
["D12064",4070,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66964","CN(CC(=O)Nc1cc(C)ccc1C)C(=O)c1ccc(o1)-c1cccc(c1)C(F)(F)F","InChI=1S/C23H21F3N2O3/c1-14-7-8-15(2)18(11-14)27-21(29)13-28(3)22(30)20-10-9-19(31-20)16-5-4-6-17(12-16)23(24,25)26/h4-12H,13H2,1-3H3,(H,27,29)","XRCSKUMFSBASQD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12065",11928,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43188","CN(CC(=O)Nc1ccc(C)cc1)C(=S)NC1CC1","InChI=1S/C14H19N3OS/c1-10-3-5-11(6-4-10)15-13(18)9-17(2)14(19)16-12-7-8-12/h3-6,12H,7-9H2,1-2H3,(H,15,18)(H,16,19)","FARDRULIPHVTLP-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D12066",3937,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66852","CN(CC(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1c[nH]cn1","InChI=1S/C14H18N4O3S/c1-10-4-5-12(11(2)6-10)17-13(19)8-18(3)22(20,21)14-7-15-9-16-14/h4-7,9H,8H2,1-3H3,(H,15,16)(H,17,19)","WQMHYOUQHCNRBX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12067",4078,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66971","CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CSCc1c(C)noc1C","InChI=1S/C17H19Cl2N3O3S/c1-10-13(11(2)25-21-10)8-26-9-17(24)22(3)7-16(23)20-12-4-5-14(18)15(19)6-12/h4-6H,7-9H2,1-3H3,(H,20,23)","SCHQPWPELTVUAM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12068",3997,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66900","CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccccc1OCc1ccc(F)cc1","InChI=1S/C23H20F2N2O3/c1-27(14-22(28)26-19-12-10-18(25)11-13-19)23(29)20-4-2-3-5-21(20)30-15-16-6-8-17(24)9-7-16/h2-13H,14-15H2,1H3,(H,26,28)","YOEMWRUJHXQPHH-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12069",4185,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67068","CN(CC(=O)Nc1cccc2ccccc12)C(=O)c1ccc(NC(=O)CC#N)cc1","InChI=1S/C23H20N4O3/c1-27(23(30)17-9-11-18(12-10-17)25-21(28)13-14-24)15-22(29)26-20-8-4-6-16-5-2-3-7-19(16)20/h2-12H,13,15H2,1H3,(H,25,28)(H,26,29)","MZERHWNOMRFKEX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12070",4062,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66956","CN(CC(=O)Nc1ccccc1Cl)C(=O)Cc1sc(C)nc1-c1ccc(F)cc1","InChI=1S/C21H19ClFN3O2S/c1-13-24-21(14-7-9-15(23)10-8-14)18(29-13)11-20(28)26(2)12-19(27)25-17-6-4-3-5-16(17)22/h3-10H,11-12H2,1-2H3,(H,25,27)","ZEJDGPFCFJVVHD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12071",4162,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67046","CN(CC(=O)Nc1ccccc1Cl)CC(=O)Nc1cccc2ccccc12","InChI=1S/C21H20ClN3O2/c1-25(14-21(27)24-19-11-5-4-10-17(19)22)13-20(26)23-18-12-6-8-15-7-2-3-9-16(15)18/h2-12H,13-14H2,1H3,(H,23,26)(H,24,27)","AIRCKNQDAQMBNX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12072",15431,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397757","CN(CC(F)(F)F)C(=O)CNc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C20H19F3N6O2/c1-29(11-20(21,22)23)18(30)10-26-15-6-13(4-5-14(15)7-24)16-8-27-17(9-25-16)28-19(31)12-2-3-12/h4-6,8-9,12,26H,2-3,10-11H2,1H3,(H,27,28,31)","JCSRIVZFDSKVEV-UHFFFAOYSA-N",null,25.1]
["D12073",15642,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397671","CN(CC(F)(F)F)C(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C19H18F3N7O2/c1-29(10-19(20,21)22)17(30)9-26-13-4-12(6-24-14(13)5-23)15-7-27-16(8-25-15)28-18(31)11-2-3-11/h4,6-8,11,26H,2-3,9-10H2,1H3,(H,27,28,31)","LQSJACNSNUQSGC-UHFFFAOYSA-N",null,31.6]
["D12074",15056,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478791","CN(CC(F)(F)F)c1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C27H27F6N9O/c1-40(15-27(31,32)33)23-12-20(35-16-36-23)18-2-3-19-21(11-18)38-25(37-19)39-22-10-17(4-5-34-22)14-41-6-8-42(9-7-41)24(43)13-26(28,29)30/h2-5,10-12,16H,6-9,13-15H2,1H3,(H2,34,37,38,39)","RPNSBNASSAVJLY-UHFFFAOYSA-N",null,9.8]
["D12075",15188,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478790","CN(CC(F)(F)F)c1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C29H34F3N9O2/c1-28(2,3)43-27(42)41-11-9-40(10-12-41)16-19-7-8-33-24(13-19)38-26-36-21-6-5-20(14-23(21)37-26)22-15-25(35-18-34-22)39(4)17-29(30,31)32/h5-8,13-15,18H,9-12,16-17H2,1-4H3,(H2,33,36,37,38)","HZMBTHRXXUWXDL-UHFFFAOYSA-N",null,14]
["D12076",15811,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397689","CN(CC(F)F)C(=O)[C@H](CO)Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C20H21F2N7O3/c1-29(9-17(21)22)20(32)16(10-30)27-13-4-12(6-24-14(13)5-23)15-7-26-18(8-25-15)28-19(31)11-2-3-11/h4,6-8,11,16-17,27,30H,2-3,9-10H2,1H3,(H,26,28,31)/t16-/m0/s1","YCXVPUCGGARSCT-INIZCTEOSA-N",null,50.1]
["D12077",4789,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66708","CN(CC(O)=O)S(=O)(=O)c1ccc2oc3ccccc3c2c1","InChI=1S/C15H13NO5S/c1-16(9-15(17)18)22(19,20)10-6-7-14-12(8-10)11-4-2-3-5-13(11)21-14/h2-8H,9H2,1H3,(H,17,18)","PRFLFNZNIONTPY-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12078",4658,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66599","CN(CC(O)COC(c1ccccc1)c1ccccc1)C1CCCCC1","InChI=1S/C23H31NO2/c1-24(21-15-9-4-10-16-21)17-22(25)18-26-23(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14,21-23,25H,4,9-10,15-18H2,1H3","BJUZJRDGGZMYBB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12079",15156,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478777","CN(CC1CC1)c1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C30H35N9O/c1-37(17-20-2-3-20)28-16-25(32-19-33-28)23-6-7-24-26(15-23)35-30(34-24)36-27-14-21(8-9-31-27)18-38-10-12-39(13-11-38)29(40)22-4-5-22/h6-9,14-16,19-20,22H,2-5,10-13,17-18H2,1H3,(H2,31,34,35,36)","WEYMFIMEWQWVKG-UHFFFAOYSA-N",null,13]
["D12080",15336,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478776","CN(CC1CC1)c1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C29H32F3N9O/c1-39(16-19-2-3-19)26-14-23(34-18-35-26)21-4-5-22-24(13-21)37-28(36-22)38-25-12-20(6-7-33-25)17-40-8-10-41(11-9-40)27(42)15-29(30,31)32/h4-7,12-14,18-19H,2-3,8-11,15-17H2,1H3,(H2,33,36,37,38)","SJIVMVWYWCWWCR-UHFFFAOYSA-N",null,19]
["D12081",15758,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478775","CN(CC1CC1)c1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C31H39N9O2/c1-31(2,3)42-30(41)40-13-11-39(12-14-40)19-22-9-10-32-27(15-22)37-29-35-24-8-7-23(16-26(24)36-29)25-17-28(34-20-33-25)38(4)18-21-5-6-21/h7-10,15-17,20-21H,5-6,11-14,18-19H2,1-4H3,(H2,32,35,36,37)","KJAQZQYWXIEJOJ-UHFFFAOYSA-N",null,43]
["D12082",16885,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246066","CN(CC1CCOC1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1","InChI=1S/C26H30N8O2/c1-33(16-19-5-9-36-18-19)25-20(13-27)12-21(14-30-25)24-4-6-28-26(32-24)31-22-2-3-23(29-15-22)17-34-7-10-35-11-8-34/h2-4,6,12,14-15,19H,5,7-11,16-18H2,1H3,(H,28,31,32)","GXYJFNJQTSRCTJ-UHFFFAOYSA-N",null,"<1000",{"$nulls":4},7.5]
["D12083",16266,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397696","CN(CCC#N)C(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C20H20N8O2/c1-28(6-2-5-21)19(29)12-25-15-7-14(9-23-16(15)8-22)17-10-26-18(11-24-17)27-20(30)13-3-4-13/h7,9-11,13,25H,2-4,6,12H2,1H3,(H,26,27,30)","UOGJEEUFFLERHF-UHFFFAOYSA-N",null,126]
["D12084",18246,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50459900","CN(CCCNc1ccnc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)n1)C(=O)C1CCC1","InChI=1S/C53H75N9O9S/c1-37-47(72-36-57-37)39-16-14-38(15-17-39)33-56-49(65)44-32-42(63)34-62(44)51(67)48(53(2,3)4)60-46(64)35-70-30-10-28-68-26-6-7-27-69-29-11-31-71-43-20-18-41(19-21-43)58-52-55-24-22-45(59-52)54-23-9-25-61(5)50(66)40-12-8-13-40/h14-22,24,36,40,42,44,48,63H,6-13,23,25-35H2,1-5H3,(H,56,65)(H,60,64)(H2,54,55,58,59)/t42-,44+,48-/m1/s1","DSJZDHDZWAOWSH-VKMIHSNOSA-N",null,null,725]
["D12085",18253,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50459909","CN(CCCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1Br)C(=O)C1CCC1","InChI=1S/C53H74BrN9O9S/c1-36-46(73-35-58-36)38-16-14-37(15-17-38)31-56-49(66)44-30-41(64)33-63(44)51(68)47(53(2,3)4)60-45(65)34-71-28-10-26-69-24-6-7-25-70-27-11-29-72-42-20-18-40(19-21-42)59-52-57-32-43(54)48(61-52)55-22-9-23-62(5)50(67)39-12-8-13-39/h14-21,32,35,39,41,44,47,64H,6-13,22-31,33-34H2,1-5H3,(H,56,66)(H,60,65)(H2,55,57,59,61)/t41-,44-,47+/m0/s1","QMGHHBHPDDAGGO-JTTRWUFTSA-N",null,null,5.9]
["D12086",15536,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50459898","CN(CCCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1Br)C(=O)C1CCC1","InChI=1S/C53H74BrN9O9S/c1-36-46(73-35-58-36)38-16-14-37(15-17-38)31-56-49(66)44-30-41(64)33-63(44)51(68)47(53(2,3)4)60-45(65)34-71-28-10-26-69-24-6-7-25-70-27-11-29-72-42-20-18-40(19-21-42)59-52-57-32-43(54)48(61-52)55-22-9-23-62(5)50(67)39-12-8-13-39/h14-21,32,35,39,41,44,47,64H,6-13,22-31,33-34H2,1-5H3,(H,56,66)(H,60,65)(H2,55,57,59,61)/t41-,44+,47-/m1/s1","QMGHHBHPDDAGGO-IIWOMYBWSA-N",null,1.3]
["D12087",18247,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50459901","CN(CCCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1C(F)(F)F)C(=O)C1CCC1","InChI=1S/C54H74F3N9O9S/c1-36-46(76-35-61-36)38-16-14-37(15-17-38)31-59-49(69)44-30-41(67)33-66(44)51(71)47(53(2,3)4)63-45(68)34-74-28-10-26-72-24-6-7-25-73-27-11-29-75-42-20-18-40(19-21-42)62-52-60-32-43(54(55,56)57)48(64-52)58-22-9-23-65(5)50(70)39-12-8-13-39/h14-21,32,35,39,41,44,47,67H,6-13,22-31,33-34H2,1-5H3,(H,59,69)(H,63,68)(H2,58,60,62,64)/t41-,44+,47-/m1/s1","HBRPAVOAWSFQHJ-IIWOMYBWSA-N",null,null,13]
["D12088",18248,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50459902","CN(CCCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1C)C(=O)C1CCC1","InChI=1S/C54H77N9O9S/c1-37-32-57-53(61-49(37)55-23-10-24-62(6)51(67)41-13-9-14-41)59-42-19-21-44(22-20-42)72-30-12-28-70-26-8-7-25-69-27-11-29-71-35-46(65)60-48(54(3,4)5)52(68)63-34-43(64)31-45(63)50(66)56-33-39-15-17-40(18-16-39)47-38(2)58-36-73-47/h15-22,32,36,41,43,45,48,64H,7-14,23-31,33-35H2,1-6H3,(H,56,66)(H,60,65)(H2,55,57,59,61)/t43-,45+,48-/m1/s1","XCWLFSSUZCTHRG-FHGSKKDFSA-N",null,null,270]
["D12089",18251,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50459896","CN(CCCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1C1CC1)C(=O)C1CCC1","InChI=1S/C56H79N9O9S/c1-38-49(75-37-60-38)41-16-14-39(15-17-41)33-58-52(68)47-32-44(66)35-65(47)54(70)50(56(2,3)4)62-48(67)36-73-30-10-28-71-26-6-7-27-72-29-11-31-74-45-22-20-43(21-23-45)61-55-59-34-46(40-18-19-40)51(63-55)57-24-9-25-64(5)53(69)42-12-8-13-42/h14-17,20-23,34,37,40,42,44,47,50,66H,6-13,18-19,24-33,35-36H2,1-5H3,(H,58,68)(H,62,67)(H2,57,59,61,63)/t44-,47+,50-/m1/s1","BBLUCKCGFGRHBM-PNADFZFASA-N",null,null,245]
["D12090",18256,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50459912","CN(CCCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1C1CCC1)C(=O)C1CCC1","InChI=1S/C57H81N9O9S/c1-39-50(76-38-61-39)42-19-17-40(18-20-42)34-59-53(69)48-33-45(67)36-66(48)55(71)51(57(2,3)4)63-49(68)37-74-31-11-29-72-27-6-7-28-73-30-12-32-75-46-23-21-44(22-24-46)62-56-60-35-47(41-13-8-14-41)52(64-56)58-25-10-26-65(5)54(70)43-15-9-16-43/h17-24,35,38,41,43,45,48,51,67H,6-16,25-34,36-37H2,1-5H3,(H,59,69)(H,63,68)(H2,58,60,62,64)/t45-,48+,51-/m1/s1","VRMFNDRBAMWEIZ-IFPJXXIRSA-N",null,null,1035]
["D12091",18250,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50459904","CN(CCCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1C=C)C(=O)C1CCC1","InChI=1S/C55H77N9O9S/c1-7-40-34-58-54(62-50(40)56-24-11-25-63(6)52(68)42-14-10-15-42)60-43-20-22-45(23-21-43)73-31-13-29-71-27-9-8-26-70-28-12-30-72-36-47(66)61-49(55(3,4)5)53(69)64-35-44(65)32-46(64)51(67)57-33-39-16-18-41(19-17-39)48-38(2)59-37-74-48/h7,16-23,34,37,42,44,46,49,65H,1,8-15,24-33,35-36H2,2-6H3,(H,57,67)(H,61,66)(H2,56,58,60,62)/t44-,46+,49-/m1/s1","ZZXFSWBJZNXJED-CRHSMECVSA-N",null,null,130]
["D12092",18244,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50459897","CN(CCCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1Cl)C(=O)C1CCC1","InChI=1S/C53H74ClN9O9S/c1-36-46(73-35-58-36)38-16-14-37(15-17-38)31-56-49(66)44-30-41(64)33-63(44)51(68)47(53(2,3)4)60-45(65)34-71-28-10-26-69-24-6-7-25-70-27-11-29-72-42-20-18-40(19-21-42)59-52-57-32-43(54)48(61-52)55-22-9-23-62(5)50(67)39-12-8-13-39/h14-21,32,35,39,41,44,47,64H,6-13,22-31,33-34H2,1-5H3,(H,56,66)(H,60,65)(H2,55,57,59,61)/t41-,44+,47-/m1/s1","ZYAXNXQLQWQSKD-IIWOMYBWSA-N",null,null,10]
["D12093",18254,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50459910","CN(CCCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1F)C(=O)C1CCC1","InChI=1S/C53H74FN9O9S/c1-36-46(73-35-58-36)38-16-14-37(15-17-38)31-56-49(66)44-30-41(64)33-63(44)51(68)47(53(2,3)4)60-45(65)34-71-28-10-26-69-24-6-7-25-70-27-11-29-72-42-20-18-40(19-21-42)59-52-57-32-43(54)48(61-52)55-22-9-23-62(5)50(67)39-12-8-13-39/h14-21,32,35,39,41,44,47,64H,6-13,22-31,33-34H2,1-5H3,(H,56,66)(H,60,65)(H2,55,57,59,61)/t41-,44+,47-/m1/s1","HWMTVWVZKQOMOO-IIWOMYBWSA-N",null,null,104]
["D12094",18255,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50459911","CN(CCCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1I)C(=O)C1CCC1","InChI=1S/C53H74IN9O9S/c1-36-46(73-35-58-36)38-16-14-37(15-17-38)31-56-49(66)44-30-41(64)33-63(44)51(68)47(53(2,3)4)60-45(65)34-71-28-10-26-69-24-6-7-25-70-27-11-29-72-42-20-18-40(19-21-42)59-52-57-32-43(54)48(61-52)55-22-9-23-62(5)50(67)39-12-8-13-39/h14-21,32,35,39,41,44,47,64H,6-13,22-31,33-34H2,1-5H3,(H,56,66)(H,60,65)(H2,55,57,59,61)/t41-,44+,47-/m1/s1","PPGOVBLMHCGQCX-IIWOMYBWSA-N",null,null,4]
["D12095",15948,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397716","CN(CCF)C(=O)C(CC(F)F)Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C21H22F3N7O2/c1-31(5-4-22)21(33)15(7-18(23)24)29-14-6-13(9-26-16(14)8-25)17-10-28-19(11-27-17)30-20(32)12-2-3-12/h6,9-12,15,18,29H,2-5,7H2,1H3,(H,28,30,32)","DRUDLQBOSHTJMH-UHFFFAOYSA-N",null,79.4]
["D12096",16902,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM485817","CN(CCNc1ccnc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)n1)C(=O)C1CCC1","InChI=1S/C52H73N9O9S/c1-36-46(71-35-56-36)38-15-13-37(14-16-38)32-55-48(64)43-31-41(62)33-61(43)50(66)47(52(2,3)4)59-45(63)34-69-29-9-27-67-25-6-7-26-68-28-10-30-70-42-19-17-40(18-20-42)57-51-54-22-21-44(58-51)53-23-24-60(5)49(65)39-11-8-12-39/h13-22,35,39,41,43,47,62H,6-12,23-34H2,1-5H3,(H,55,64)(H,59,63)(H2,53,54,57,58)/t41-,43+,47-/m1/s1","LBZUYZCUFPSFJT-DQFBHCSJSA-N",null,">1000"]
["D12097",15125,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM485844","CN(CCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1Br)C(=O)C1CCC1","InChI=1S/C52H72BrN9O9S/c1-35-45(72-34-57-35)37-15-13-36(14-16-37)30-55-48(65)43-29-40(63)32-62(43)50(67)46(52(2,3)4)59-44(64)33-70-27-9-25-68-23-6-7-24-69-26-10-28-71-41-19-17-39(18-20-41)58-51-56-31-42(53)47(60-51)54-21-22-61(5)49(66)38-11-8-12-38/h13-20,31,34,38,40,43,46,63H,6-12,21-30,32-33H2,1-5H3,(H,55,65)(H,59,64)(H2,54,56,58,60)/t40-,43+,46-/m1/s1","PLGDKNDMHHWONK-PPZGWQTASA-N",null,12]
["D12098",15471,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM485821","CN(CCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1C(F)(F)F)C(=O)C1CCC1","InChI=1S/C53H72F3N9O9S/c1-35-45(75-34-60-35)37-15-13-36(14-16-37)30-58-48(68)43-29-40(66)32-65(43)50(70)46(52(2,3)4)62-44(67)33-73-27-9-25-71-23-6-7-24-72-26-10-28-74-41-19-17-39(18-20-41)61-51-59-31-42(53(54,55)56)47(63-51)57-21-22-64(5)49(69)38-11-8-12-38/h13-20,31,34,38,40,43,46,66H,6-12,21-30,32-33H2,1-5H3,(H,58,68)(H,62,67)(H2,57,59,61,63)/t40-,43+,46-/m1/s1","LKLXDZLUSNYCEJ-PPZGWQTASA-N",null,29]
["D12099",15981,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM485827","CN(CCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1C)C(=O)C1CCC1","InChI=1S/C53H75N9O9S/c1-36-31-56-52(60-48(36)54-22-23-61(6)50(66)40-12-9-13-40)58-41-18-20-43(21-19-41)71-29-11-27-69-25-8-7-24-68-26-10-28-70-34-45(64)59-47(53(3,4)5)51(67)62-33-42(63)30-44(62)49(65)55-32-38-14-16-39(17-15-38)46-37(2)57-35-72-46/h14-21,31,35,40,42,44,47,63H,7-13,22-30,32-34H2,1-6H3,(H,55,65)(H,59,64)(H2,54,56,58,60)/t42-,44+,47-/m1/s1","KZTNDIYXCSUJFS-OLBZIVSESA-N",null,92]
["D12100",15898,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM485831","CN(CCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1C1CC1)C(=O)C1CCC1","InChI=1S/C55H77N9O9S/c1-37-48(74-36-59-37)40-15-13-38(14-16-40)32-57-51(67)46-31-43(65)34-64(46)53(69)49(55(2,3)4)61-47(66)35-72-29-9-27-70-25-6-7-26-71-28-10-30-73-44-21-19-42(20-22-44)60-54-58-33-45(39-17-18-39)50(62-54)56-23-24-63(5)52(68)41-11-8-12-41/h13-16,19-22,33,36,39,41,43,46,49,65H,6-12,17-18,23-32,34-35H2,1-5H3,(H,57,67)(H,61,66)(H2,56,58,60,62)/t43-,46+,49-/m1/s1","KYHLFEPNRQBFFK-YWIAGSDQSA-N",null,65]
["D12101",16723,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM485823","CN(CCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1C1CCC1)C(=O)C1CCC1","InChI=1S/C56H79N9O9S/c1-38-49(75-37-60-38)41-18-16-39(17-19-41)33-58-52(68)47-32-44(66)35-65(47)54(70)50(56(2,3)4)62-48(67)36-73-30-10-28-71-26-6-7-27-72-29-11-31-74-45-22-20-43(21-23-45)61-55-59-34-46(40-12-8-13-40)51(63-55)57-24-25-64(5)53(69)42-14-9-15-42/h16-23,34,37,40,42,44,47,50,66H,6-15,24-33,35-36H2,1-5H3,(H,58,68)(H,62,67)(H2,57,59,61,63)/t44-,47+,50-/m1/s1","CDCARXBNKMCYLR-PNADFZFASA-N",null,544]
["D12102",15794,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM485830","CN(CCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1CC=C)C(=O)C1CCC1","InChI=1S/C55H77N9O9S/c1-7-13-42-34-58-54(62-50(42)56-24-25-63(6)52(68)41-14-10-15-41)60-43-20-22-45(23-21-43)73-31-12-29-71-27-9-8-26-70-28-11-30-72-36-47(66)61-49(55(3,4)5)53(69)64-35-44(65)32-46(64)51(67)57-33-39-16-18-40(19-17-39)48-38(2)59-37-74-48/h7,16-23,34,37,41,44,46,49,65H,1,8-15,24-33,35-36H2,2-6H3,(H,57,67)(H,61,66)(H2,56,58,60,62)/t44-,46+,49-/m1/s1","CWUKBVVPLLJOTJ-CRHSMECVSA-N",null,48]
["D12103",15059,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM485818","CN(CCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1Cl)C(=O)C1CCC1","InChI=1S/C52H72ClN9O9S/c1-35-45(72-34-57-35)37-15-13-36(14-16-37)30-55-48(65)43-29-40(63)32-62(43)50(67)46(52(2,3)4)59-44(64)33-70-27-9-25-68-23-6-7-24-69-26-10-28-71-41-19-17-39(18-20-41)58-51-56-31-42(53)47(60-51)54-21-22-61(5)49(66)38-11-8-12-38/h13-20,31,34,38,40,43,46,63H,6-12,21-30,32-33H2,1-5H3,(H,55,65)(H,59,64)(H2,54,56,58,60)/t40-,43+,46-/m1/s1","OPFBNMIHDYCLFY-PPZGWQTASA-N",null,10]
["D12104",16479,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM485825","CN(CCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1F)C(=O)C1CCC1","InChI=1S/C52H72FN9O9S/c1-35-45(72-34-57-35)37-15-13-36(14-16-37)30-55-48(65)43-29-40(63)32-62(43)50(67)46(52(2,3)4)59-44(64)33-70-27-9-25-68-23-6-7-24-69-26-10-28-71-41-19-17-39(18-20-41)58-51-56-31-42(53)47(60-51)54-21-22-61(5)49(66)38-11-8-12-38/h13-20,31,34,38,40,43,46,63H,6-12,21-30,32-33H2,1-5H3,(H,55,65)(H,59,64)(H2,54,56,58,60)/t40-,43+,46-/m1/s1","HHZTZOIWCYLPDB-PPZGWQTASA-N",null,282]
["D12105",18201,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM485824","CN(CCNc1nc(Nc2ccc(OCCCOCCCCOCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)cc2)ncc1I)C(=O)C1CCC1","InChI=1S/C52H72IN9O9S/c1-35-45(72-34-57-35)37-15-13-36(14-16-37)30-55-48(65)43-29-40(63)32-62(43)50(67)46(52(2,3)4)59-44(64)33-70-27-9-25-68-23-6-7-24-69-26-10-28-71-41-19-17-39(18-20-41)58-51-56-31-42(53)47(60-51)54-21-22-61(5)49(66)38-11-8-12-38/h13-20,31,34,38,40,43,46,63H,6-12,21-30,32-33H2,1-5H3,(H,55,65)(H,59,64)(H2,54,56,58,60)/t40-,43+,46-/m1/s1","YBFBUZSEMDFXJF-PPZGWQTASA-N",null,null,4]
["D12106",15956,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397761","CN(CCO)C(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C19H21N7O3/c1-26(4-5-27)18(28)11-23-14-6-13(8-21-15(14)7-20)16-9-24-17(10-22-16)25-19(29)12-2-3-12/h6,8-10,12,23,27H,2-5,11H2,1H3,(H,24,25,29)","ARBQJNRRODHGRB-UHFFFAOYSA-N",null,79.4]
["D12107",15744,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278206","CN(CCO)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C32H38FN9O4/c1-39(14-15-43)32(44)42-9-8-29(27(33)18-42)46-28-7-2-22(16-23(28)17-34)30-35-21-36-31(38-30)37-24-3-5-25(6-4-24)40-10-12-41(13-11-40)26-19-45-20-26/h2-7,16,21,26-27,29,43H,8-15,18-20H2,1H3,(H,35,36,37,38)/t27-,29+/m1/s1","LJZTWZJJLJMKAH-PXJZQJOASA-N",null,41]
["D12108",16031,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246007","CN(CCO)Cc1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1","InChI=1S/C23H25FN8O/c1-31(8-9-33)15-20-3-2-19(13-27-20)29-23-26-6-4-21(30-23)17-10-16(11-25)22(28-12-17)32-7-5-18(24)14-32/h2-4,6,10,12-13,18,33H,5,7-9,14-15H2,1H3,(H,26,29,30)/t18-/m0/s1","JOPZYMVVPBJUBQ-SFHVURJKSA-N",null,"<100",{"$nulls":4},7.5]
["D12109",15489,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246004","CN(CCO)c1cc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)ccn1","InChI=1S/C22H23FN8O/c1-30(8-9-32)20-11-18(2-5-25-20)28-22-26-6-3-19(29-22)16-10-15(12-24)21(27-13-16)31-7-4-17(23)14-31/h2-3,5-6,10-11,13,17,32H,4,7-9,14H2,1H3,(H,25,26,28,29)/t17-/m0/s1","DTVMGWZBDSGYJR-KRWDZBQOSA-N",null,"<30",{"$nulls":4},7.5]
["D12110",16676,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278381","CN(CCOc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)N1CCN(C)CC1","InChI=1S/C32H40N10O3/c1-38-9-11-42(12-10-38)32(43)39(2)17-18-45-29-8-3-24(19-25(29)20-33)30-34-23-35-31(37-30)36-26-4-6-27(7-5-26)40-13-15-41(16-14-40)28-21-44-22-28/h3-8,19,23,28H,9-18,21-22H2,1-2H3,(H,34,35,36,37)","GACAJSWQMOYPFS-UHFFFAOYSA-N",null,466]
["D12111",16441,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397697","CN(CCS(C)(=O)=O)C(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C20H23N7O4S/c1-27(5-6-32(2,30)31)19(28)12-24-15-7-14(9-22-16(15)8-21)17-10-25-18(11-23-17)26-20(29)13-3-4-13/h7,9-11,13,24H,3-6,12H2,1-2H3,(H,25,26,29)","MDHYIGWKFFTTMS-UHFFFAOYSA-N",null,251]
["D12112",3444,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Microtubule-associated protein tau","Bos taurus","BDBM142854","CN(CCc1ccc(cc1)[N+]([O-])=O)c1nc(cc(=O)n1C)-c1ncncc1F","InChI=1S/C18H17FN6O3/c1-23(8-7-12-3-5-13(6-4-12)25(27)28)18-22-15(9-16(26)24(18)2)17-14(19)10-20-11-21-17/h3-6,9-11H,7-8H2,1-2H3","BIHANFBBEUOMIP-UHFFFAOYSA-N",null,164.8,{"$nulls":4},6.5,"25.00 C"]
["D12113",4139,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67025","CN(CCc1ccccc1)C(=O)c1cccc(NC(=O)Cc2cccc(c2)[N+]([O-])=O)c1","InChI=1S/C24H23N3O4/c1-26(14-13-18-7-3-2-4-8-18)24(29)20-10-6-11-21(17-20)25-23(28)16-19-9-5-12-22(15-19)27(30)31/h2-12,15,17H,13-14,16H2,1H3,(H,25,28)","PCJUBXIIOHQWSW-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12114",12410,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42933","CN(CP(O)(=O)CN(C)S(C)(=O)=O)S(C)(=O)=O","InChI=1S/C6H17N2O6PS2/c1-7(16(3,11)12)5-15(9,10)6-8(2)17(4,13)14/h5-6H2,1-4H3,(H,9,10)","DCIRVAHWZHBIRX-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D12115",31748,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43552","CN(Cc1c[nH]c2ccccc12)Cc1ccccc1","InChI=1S/C17H18N2/c1-19(12-14-7-3-2-4-8-14)13-15-11-18-17-10-6-5-9-16(15)17/h2-11,18H,12-13H2,1H3","HDZOBZVWWSWEGP-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D12116",4014,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66916","CN(Cc1ccc(F)cc1)C(=O)CNC(=O)C1CCCCC1","InChI=1S/C17H23FN2O2/c1-20(12-13-7-9-15(18)10-8-13)16(21)11-19-17(22)14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,19,22)","NPPXRGOSPAQGKG-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12117",4493,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66461","CN(Cc1ccc(cc1)C(=O)NN=Cc1ccc(OC(F)F)cc1)S(=O)(=O)c1ccc(C)cc1","InChI=1S/C24H23F2N3O4S/c1-17-3-13-22(14-4-17)34(31,32)29(2)16-19-5-9-20(10-6-19)23(30)28-27-15-18-7-11-21(12-8-18)33-24(25)26/h3-15,24H,16H2,1-2H3,(H,28,30)","GQBOURKCBYHDCS-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12118",32014,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67121","CN(Cc1ccccc1N1CCCC1)C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12","InChI=1S/C27H26N4O2/c1-29(19-20-11-5-8-16-24(20)30-17-9-10-18-30)27(33)25-22-14-6-7-15-23(22)26(32)31(28-25)21-12-3-2-4-13-21/h2-8,11-16H,9-10,17-19H2,1H3","JRYSDVSNBPQHKF-UHFFFAOYSA-N",null,">55690"]
["D12119",3907,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66082","CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O","InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1","FBOZXECLQNJBKD-ZDUSSCGKSA-N",{"$nulls":3},">350000"]
["D12120",17529,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397707","CN(Cc1cnccn1)C(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C22H21N9O2/c1-31(13-16-9-24-4-5-25-16)21(32)12-28-17-6-15(8-26-18(17)7-23)19-10-29-20(11-27-19)30-22(33)14-2-3-14/h4-6,8-11,14,28H,2-3,12-13H2,1H3,(H,29,30,33)","FKOGHWXWNSPRAK-UHFFFAOYSA-N",null,5012]
["D12121",3687,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50426285","CN(O)C(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O","InChI=1S/C9H16N2O6/c1-11(17)7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6,17H,2-4,10H2,1H3,(H,13,14)(H,15,16)/t5-,6+/m1/s1","YWTXUGAXXGHUOR-RITPCOANSA-N",{"$nulls":3},">1000000"]
["D12122",4189,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67072","CN(c1ccc(OCC(=O)NC2CCC(O)CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1","InChI=1S/C21H25ClN2O5S/c1-24(30(27,28)20-12-2-15(22)3-13-20)17-6-10-19(11-7-17)29-14-21(26)23-16-4-8-18(25)9-5-16/h2-3,6-7,10-13,16,18,25H,4-5,8-9,14H2,1H3,(H,23,26)","GTVIWHFYZOVQJE-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12123",32079,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46365","CN(c1ccc(cc1)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1)S(=O)(=O)c1ccc(C)cc1","InChI=1S/C27H29N3O5S/c1-20-3-10-24(11-4-20)36(32,33)28(2)23-8-6-22(7-9-23)27(31)30-15-13-29(14-16-30)18-21-5-12-25-26(17-21)35-19-34-25/h3-12,17H,13-16,18-19H2,1-2H3","MVXZWUIEUSJAIH-UHFFFAOYSA-N",null,">55700"]
["D12124",12089,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM4391","CN(c1ccc(cc1)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1)S(=O)(=O)c1ccccc1","InChI=1S/C26H27N3O5S/c1-27(35(31,32)23-5-3-2-4-6-23)22-10-8-21(9-11-22)26(30)29-15-13-28(14-16-29)18-20-7-12-24-25(17-20)34-19-33-24/h2-12,17H,13-16,18-19H2,1H3","AOGRZMGALHMJRQ-UHFFFAOYSA-N",null,">3986"]
["D12125",25922,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM26474","CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1","InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)","CUIHSIWYWATEQL-UHFFFAOYSA-N",null,null,">10000"]
["D12126",31842,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43516","CN(c1cccc(NC(=O)c2ccc(C)c(c2)S(=O)(=O)Nc2ccccc2)c1)S(C)(=O)=O","InChI=1S/C22H23N3O5S2/c1-16-12-13-17(14-21(16)32(29,30)24-18-8-5-4-6-9-18)22(26)23-19-10-7-11-20(15-19)25(2)31(3,27)28/h4-15,24H,1-3H3,(H,23,26)","BFORCNXRHJXYOJ-UHFFFAOYSA-N",null,21140]
["D12127",25735,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50470381","CN(c1ccccc1)c1cc[n+](CCCCCCCCCC[n+]2ccc(N(C)c3ccccc3)c3ccccc23)c2ccccc12","InChI=1S/C42H48N4/c1-43(35-21-11-9-12-22-35)39-29-33-45(41-27-17-15-25-37(39)41)31-19-7-5-3-4-6-8-20-32-46-34-30-40(38-26-16-18-28-42(38)46)44(2)36-23-13-10-14-24-36/h9-18,21-30,33-34H,3-8,19-20,31-32H2,1-2H3/q+2","RGECDIAIGKAVGJ-UHFFFAOYSA-N",null,1400]
["D12128",4447,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66425","CN(c1ccccc1)c1ccc(\\C=C\\[N+]([O-])=O)cc1","InChI=1S/C15H14N2O2/c1-16(14-5-3-2-4-6-14)15-9-7-13(8-10-15)11-12-17(18)19/h2-12H,1H3/b12-11+","SCADSUITEVTTIM-VAWYXSNFSA-N",{"$nulls":3},12560]
["D12129",4333,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66275","CN(c1ccccc1C(=O)Nc1cccc(c1)C(F)(F)F)S(C)(=O)=O","InChI=1S/C16H15F3N2O3S/c1-21(25(2,23)24)14-9-4-3-8-13(14)15(22)20-12-7-5-6-11(10-12)16(17,18)19/h3-10H,1-2H3,(H,20,22)","IAMJCGYXSKBGEH-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12130",3950,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66857","CN1C(=CC(=NS1(=O)=O)c1ccco1)C(=O)Nc1cccc(O)c1","InChI=1S/C15H13N3O5S/c1-18-13(15(20)16-10-4-2-5-11(19)8-10)9-12(17-24(18,21)22)14-6-3-7-23-14/h2-9,19H,1H3,(H,16,20)","BLMROVIDMVFTBT-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12131",32133,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46426","CN1C(=CC(=O)C[n+]2ccc(cc2)C(=O)c2ccccc2)C(C)(C)c2ccccc12","InChI=1S/C26H25N2O2/c1-26(2)22-11-7-8-12-23(22)27(3)24(26)17-21(29)18-28-15-13-20(14-16-28)25(30)19-9-5-4-6-10-19/h4-17H,18H2,1-3H3/q+1","WODMGVOQYAYICN-UHFFFAOYSA-N",null,">55700"]
["D12132",32132,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46424","CN1C(=CC(=O)C[n+]2ccc3ccccc3c2)C(C)(C)c2ccccc12","InChI=1S/C23H23N2O/c1-23(2)20-10-6-7-11-21(20)24(3)22(23)14-19(26)16-25-13-12-17-8-4-5-9-18(17)15-25/h4-15H,16H2,1-3H3/q+1","NHPRPVRUYWTIHO-UHFFFAOYSA-N",null,">55700"]
["D12133",12103,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87263","CN1C(=O)C2(C(C#N)C(=N)N(C3=C2C(=O)CC(C)(C)C3)c2cc(Cl)cc(Cl)c2)c2ccccc12","InChI=1S/C26H22Cl2N4O2/c1-25(2)11-20-22(21(33)12-25)26(17-6-4-5-7-19(17)31(3)24(26)34)18(13-29)23(30)32(20)16-9-14(27)8-15(28)10-16/h4-10,18,30H,11-12H2,1-3H3","UJJDJVYSFUHJKP-UHFFFAOYSA-N",null,4340]
["D12134",11803,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87262","CN1C(=O)C2(C(C#N)C(=N)N(C3=C2C(=O)CCC3)c2cc(Cl)cc(Cl)c2)c2ccccc12","InChI=1S/C24H18Cl2N4O2/c1-29-18-6-3-2-5-16(18)24(23(29)32)17(12-27)22(28)30(15-10-13(25)9-14(26)11-15)19-7-4-8-20(31)21(19)24/h2-3,5-6,9-11,17,28H,4,7-8H2,1H3","WQSGSGPRTDUPLB-UHFFFAOYSA-N",null,2634]
["D12135",3438,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Microtubule-associated protein tau","Bos taurus","BDBM142845","CN1C(=O)CC(N=C1N1CCO[C@H](C1)c1ccc(F)cc1)c1ncncc1F","InChI=1S/C19H19F2N5O2/c1-25-17(27)8-15(18-14(21)9-22-11-23-18)24-19(25)26-6-7-28-16(10-26)12-2-4-13(20)5-3-12/h2-5,9,11,15-16H,6-8,10H2,1H3/t15?,16-/m1/s1","DFWLNCCVLIFYDO-OEMAIJDKSA-N",null,15.5,{"$nulls":4},6.5,"25.00 C"]
["D12136",12242,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87257","CN1C(=O)CSc2ccc(NC(=O)Nc3cccc(c3)C(C)=O)cc12","InChI=1S/C18H17N3O3S/c1-11(22)12-4-3-5-13(8-12)19-18(24)20-14-6-7-16-15(9-14)21(2)17(23)10-25-16/h3-9H,10H2,1-2H3,(H2,19,20,24)","ZSRPEEYREFVUTQ-UHFFFAOYSA-N",null,">11955"]
["D12137",4707,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66636","CN1C(=O)N(C)C(=O)C(=CNCCN2CCN(CC2)C(=O)Nc2ccccc2)C1=O","InChI=1S/C20H26N6O4/c1-23-17(27)16(18(28)24(2)20(23)30)14-21-8-9-25-10-12-26(13-11-25)19(29)22-15-6-4-3-5-7-15/h3-7,14,21H,8-13H2,1-2H3,(H,22,29)","IIELQQVBFBKWMS-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12138",3911,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66827","CN1C(=O)[C@H]2[C@@H](C3CC3)N3C(=O)CN(Cc4ccc(cc4)-c4ccccc4)C(=O)[C@@]3(C)[C@H]2C1=O","InChI=1S/C27H27N3O4/c1-27-22-21(24(32)28(2)25(22)33)23(19-12-13-19)30(27)20(31)15-29(26(27)34)14-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,19,21-23H,12-15H2,1-2H3/t21-,22-,23-,27-/m1/s1","OFOGWBRFKJXWNF-DVAKJLRASA-N",{"$nulls":3},">350000"]
["D12139",31732,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43655","CN1C(=O)\\C(=C/c2cc(Br)cs2)c2ccccc12","InChI=1S/C14H10BrNOS/c1-16-13-5-3-2-4-11(13)12(14(16)17)7-10-6-9(15)8-18-10/h2-8H,1H3/b12-7-","BOPYVRQHUDEGFS-GHXNOFRVSA-N",{"$nulls":3},">55700"]
["D12140",4765,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66686","CN1C(=O)\\C(=C2\\C(=O)Nc3ccccc23)c2cc(C)ccc12","InChI=1S/C18H14N2O2/c1-10-7-8-14-12(9-10)16(18(22)20(14)2)15-11-5-3-4-6-13(11)19-17(15)21/h3-9H,1-2H3,(H,19,21)/b16-15+","YCPOLQNZVXKIKH-FOCLMDBBSA-N",{"$nulls":3},">350000"]
["D12141",11975,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43108","CN1C(=O)\\C(=N/NC(=O)c2ccc(CSc3nncn3C)cc2)c2ccccc12","InChI=1S/C20H18N6O2S/c1-25-12-21-24-20(25)29-11-13-7-9-14(10-8-13)18(27)23-22-17-15-5-3-4-6-16(15)26(2)19(17)28/h3-10,12H,11H2,1-2H3,(H,23,27)/b22-17-","JAFTUQDHWTZXEK-XLNRJJMWSA-N",{"$nulls":3},">79370"]
["D12142",11962,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43095","CN1C(=S)N(C)\\C(=C/c2cc(C)n(C3CC3)c2C)C1=O","InChI=1S/C15H19N3OS/c1-9-7-11(10(2)18(9)12-5-6-12)8-13-14(19)17(4)15(20)16(13)3/h7-8,12H,5-6H2,1-4H3/b13-8-","JXIHJHXQVDFVFD-JYRVWZFOSA-N",{"$nulls":3},">79370"]
["D12143",31767,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43567","CN1C(C(C(=O)NCCCN2CCCC2=O)c2ccccc2C1=O)c1c[nH]c2ccccc12","InChI=1S/C26H28N4O3/c1-29-24(20-16-28-21-11-5-4-8-17(20)21)23(18-9-2-3-10-19(18)26(29)33)25(32)27-13-7-15-30-14-6-12-22(30)31/h2-5,8-11,16,23-24,28H,6-7,12-15H2,1H3,(H,27,32)","AWZGLWAKAAKKLY-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D12144",4531,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM61520","CN1C2CCC1\\C(=C\\c1ccccn1)C(=O)\\C2=C/c1ccccn1","InChI=1S/C20H19N3O/c1-23-18-8-9-19(23)17(13-15-7-3-5-11-22-15)20(24)16(18)12-14-6-2-4-10-21-14/h2-7,10-13,18-19H,8-9H2,1H3/b16-12-,17-13-","JMGRVFAALAEULJ-MCOFMCJXSA-N",{"$nulls":3},">350000"]
["D12145",15901,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278200","CN1CC(CCC1=O)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C29H32N8O3/c1-35-16-25(7-9-27(35)38)40-26-8-2-20(14-21(26)15-30)28-31-19-32-29(34-28)33-22-3-5-23(6-4-22)36-10-12-37(13-11-36)24-17-39-18-24/h2-6,8,14,19,24-25H,7,9-13,16-18H2,1H3,(H,31,32,33,34)","ZONANANPACQWMP-UHFFFAOYSA-N",null,65]
["D12146",15961,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278199","CN1CC(CNC1=O)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H31N9O3/c1-35-15-24(14-30-28(35)38)40-25-7-2-19(12-20(25)13-29)26-31-18-32-27(34-26)33-21-3-5-22(6-4-21)36-8-10-37(11-9-36)23-16-39-17-23/h2-7,12,18,23-24H,8-11,14-17H2,1H3,(H,30,38)(H,31,32,33,34)","LTASLXYWYPDQDE-UHFFFAOYSA-N",null,80]
["D12147",15797,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277987","CN1CC2(C1)CCN(CC2)c1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C31H37N9O/c1-37-20-31(21-37)8-10-40(11-9-31)28-7-2-23(16-24(28)17-32)29-33-22-34-30(36-29)35-25-3-5-26(6-4-25)38-12-14-39(15-13-38)27-18-41-19-27/h2-7,16,22,27H,8-15,18-21H2,1H3,(H,33,34,35,36)","YTZXRNTUDFALSR-UHFFFAOYSA-N",null,49]
["D12148",17869,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569850","CN1CCC(=CC1)c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D12149",16735,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570836","CN1CCC(C1)Oc1ccc(cc1C#N)-c1cc(Nc2ccc(cn2)N2CCN(C)CC2)ncn1","InChI=1S/C26H30N8O/c1-32-9-11-34(12-10-32)21-4-6-25(28-16-21)31-26-14-23(29-18-30-26)19-3-5-24(20(13-19)15-27)35-22-7-8-33(2)17-22/h3-6,13-14,16,18,22H,7-12,17H2,1-2H3,(H,28,29,30,31)","NGRIQWBQAPFNJW-UHFFFAOYSA-N",null,550]
["D12150",17489,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50401937","CN1CCC(CC1)C(=O)NCCCNc1nc(Nc2cccc(F)c2)ncc1Br","InChI=1S/C20H26BrFN6O/c1-28-10-6-14(7-11-28)19(29)24-9-3-8-23-18-17(21)13-25-20(27-18)26-16-5-2-4-15(22)12-16/h2,4-5,12-14H,3,6-11H2,1H3,(H,24,29)(H2,23,25,26,27)","FFNGHOBDCPKRLD-UHFFFAOYSA-N",null,4300]
["D12151",25945,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481462","CN1CCC(CC1)C(N1CCN(CC1)C(=O)CC(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1","InChI=1S/C32H38ClN3O/c1-34-18-16-28(17-19-34)32(27-12-14-29(33)15-13-27)36-22-20-35(21-23-36)31(37)24-30(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,28,30,32H,16-24H2,1H3","QUDJCWKOPXBSPH-UHFFFAOYSA-N",null,40]
["D12152",25952,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481493","CN1CCC(CC1)C(N1CCN(CC1)C(=O)CC(c1ccccc1)c1ccccc1)c1ccc(F)cc1","InChI=1S/C32H38FN3O/c1-34-18-16-28(17-19-34)32(27-12-14-29(33)15-13-27)36-22-20-35(21-23-36)31(37)24-30(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,28,30,32H,16-24H2,1H3","GTSIUFNWVXFHJS-UHFFFAOYSA-N",null,100]
["D12153",25986,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481479","CN1CCC(CC1)C(N1CCN(CC1)C(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1","InChI=1S/C32H39N3O/c1-33-19-17-29(18-20-33)32(28-15-9-4-10-16-28)35-23-21-34(22-24-35)31(36)25-30(26-11-5-2-6-12-26)27-13-7-3-8-14-27/h2-16,29-30,32H,17-25H2,1H3","KGQXWNGARPKIIX-UHFFFAOYSA-N",null,690]
["D12154",15214,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245956","CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc(F)c(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cc1","InChI=1S/C27H28F2N8O/c1-36-9-7-22(8-10-36)33-26(38)17-2-4-21(5-3-17)34-27-32-15-23(29)24(35-27)19-12-18(13-30)25(31-14-19)37-11-6-20(28)16-37/h2-5,12,14-15,20,22H,6-11,16H2,1H3,(H,33,38)(H,32,34,35)/t20-/m0/s1","CGEGCAFAQJHNHO-FQEVSTJZSA-N",null,"<15",{"$nulls":4},7.5]
["D12155",15588,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148110","CN1CCC(CC1)NC(=O)c1cccc(Nc2nccc(n2)-c2ccc(N3CCCC3)c(c2)C#N)c1","InChI=1S/C28H31N7O/c1-34-15-10-23(11-16-34)31-27(36)21-5-4-6-24(18-21)32-28-30-12-9-25(33-28)20-7-8-26(22(17-20)19-29)35-13-2-3-14-35/h4-9,12,17-18,23H,2-3,10-11,13-16H2,1H3,(H,31,36)(H,30,32,33)","OMMWUFZQJKVMOR-UHFFFAOYSA-N",null,"<30",{"$nulls":4},7.5]
["D12156",16019,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245942","CN1CCC(CC1)NC(=O)c1cccc(Nc2nccc(n2)-c2cnc(N3CCC(F)(F)C3)c(c2)C#N)c1","InChI=1S/C27H28F2N8O/c1-36-10-6-21(7-11-36)33-25(38)18-3-2-4-22(14-18)34-26-31-9-5-23(35-26)20-13-19(15-30)24(32-16-20)37-12-8-27(28,29)17-37/h2-5,9,13-14,16,21H,6-8,10-12,17H2,1H3,(H,33,38)(H,31,34,35)","WIUKPHGQDVIZIQ-UHFFFAOYSA-N",null,"<100",{"$nulls":4},7.5]
["D12157",15624,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245929","CN1CCC(CC1)NC(=O)c1cccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)c1","InChI=1S/C27H29FN8O/c1-35-10-7-22(8-11-35)32-26(37)18-3-2-4-23(14-18)33-27-30-9-5-24(34-27)20-13-19(15-29)25(31-16-20)36-12-6-21(28)17-36/h2-5,9,13-14,16,21-22H,6-8,10-12,17H2,1H3,(H,32,37)(H,30,33,34)/t21-/m0/s1","YEFKVMUTWMGPLO-NRFANRHFSA-N",null,"<30",{"$nulls":4},7.5]
["D12158",16017,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245940","CN1CCC(CC1)NC(=O)c1cccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](O)C3)c(c2)C#N)c1","InChI=1S/C27H30N8O2/c1-34-10-6-21(7-11-34)31-26(37)18-3-2-4-22(14-18)32-27-29-9-5-24(33-27)20-13-19(15-28)25(30-16-20)35-12-8-23(36)17-35/h2-5,9,13-14,16,21,23,36H,6-8,10-12,17H2,1H3,(H,31,37)(H,29,32,33)/t23-/m0/s1","ORORMSCBPGPSRN-QHCPKHFHSA-N",null,"<100",{"$nulls":4},7.5]
["D12159",16875,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246019","CN1CCC(CC1)NC(=O)c1cccc(Nc2nccc(n2)-c2cnc(NC3CCOC3)c(c2)C#N)c1","InChI=1S/C27H30N8O2/c1-35-10-6-21(7-11-35)32-26(36)18-3-2-4-22(14-18)33-27-29-9-5-24(34-27)20-13-19(15-28)25(30-16-20)31-23-8-12-37-17-23/h2-5,9,13-14,16,21,23H,6-8,10-12,17H2,1H3,(H,30,31)(H,32,36)(H,29,33,34)","SQURNKJBSWWGPR-UHFFFAOYSA-N",null,"<1000",{"$nulls":4},7.5]
["D12160",15606,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148139","CN1CCC(CC1)Nc1ccc(Nc2nccc(n2)-c2ccc(N3CCC(F)(F)C3)c(c2)C#N)cn1","InChI=1S/C26H28F2N8/c1-35-11-7-20(8-12-35)32-24-5-3-21(16-31-24)33-25-30-10-6-22(34-25)18-2-4-23(19(14-18)15-29)36-13-9-26(27,28)17-36/h2-6,10,14,16,20H,7-9,11-13,17H2,1H3,(H,31,32)(H,30,33,34)","LZDUEEDZQIKXFJ-UHFFFAOYSA-N",null,"<30",{"$nulls":4},7.5]
["D12161",15603,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148136","CN1CCC(CC1)Nc1ccc(Nc2nccc(n2)-c2ccc(N3CC[C@@H](F)C3)c(c2)C#N)cn1","InChI=1S/C26H29FN8/c1-34-11-8-21(9-12-34)31-25-5-3-22(16-30-25)32-26-29-10-6-23(33-26)18-2-4-24(19(14-18)15-28)35-13-7-20(27)17-35/h2-6,10,14,16,20-21H,7-9,11-13,17H2,1H3,(H,30,31)(H,29,32,33)/t20-/m1/s1","AYVFJLIIZPMLDY-HXUWFJFHSA-N",null,"<30",{"$nulls":4},7.5]
["D12162",15604,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148137","CN1CCC(CC1)Nc1ccc(Nc2nccc(n2)-c2ccc(N3CC[C@H](F)C3)c(c2)C#N)cn1","InChI=1S/C26H29FN8/c1-34-11-8-21(9-12-34)31-25-5-3-22(16-30-25)32-26-29-10-6-23(33-26)18-2-4-24(19(14-18)15-28)35-13-7-20(27)17-35/h2-6,10,14,16,20-21H,7-9,11-13,17H2,1H3,(H,30,31)(H,29,32,33)/t20-/m0/s1","AYVFJLIIZPMLDY-FQEVSTJZSA-N",null,"<30",{"$nulls":4},7.5]
["D12163",15605,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148138","CN1CCC(CC1)Nc1ccc(Nc2nccc(n2)-c2ccc(N3CC[C@H](O)C3)c(c2)C#N)cn1","InChI=1S/C26H30N8O/c1-33-11-7-20(8-12-33)30-25-5-3-21(16-29-25)31-26-28-10-6-23(32-26)18-2-4-24(19(14-18)15-27)34-13-9-22(35)17-34/h2-6,10,14,16,20,22,35H,7-9,11-13,17H2,1H3,(H,29,30)(H,28,31,32)/t22-/m0/s1","WXMBBWGYXZCGHO-QFIPXVFZSA-N",null,"<30",{"$nulls":4},7.5]
["D12164",15480,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245943","CN1CCC(CC1)Nc1ccc(Nc2nccc(n2)-c2cnc(N3CCC(F)(F)C3)c(c2)C#N)cn1","InChI=1S/C25H27F2N9/c1-35-9-5-19(6-10-35)32-22-3-2-20(15-30-22)33-24-29-8-4-21(34-24)18-12-17(13-28)23(31-14-18)36-11-7-25(26,27)16-36/h2-4,8,12,14-15,19H,5-7,9-11,16H2,1H3,(H,30,32)(H,29,33,34)","UYEYSPSFABTAAJ-UHFFFAOYSA-N",null,"<30",{"$nulls":4},7.5]
["D12165",15630,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245937","CN1CCC(CC1)Nc1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1","InChI=1S/C25H28FN9/c1-34-9-6-20(7-10-34)31-23-3-2-21(15-29-23)32-25-28-8-4-22(33-25)18-12-17(13-27)24(30-14-18)35-11-5-19(26)16-35/h2-4,8,12,14-15,19-20H,5-7,9-11,16H2,1H3,(H,29,31)(H,28,32,33)/t19-/m0/s1","WZCTXQMOEVOZRQ-IBGZPJMESA-N",null,"<30",{"$nulls":4},7.5]
["D12166",16018,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245941","CN1CCC(CC1)Nc1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](O)C3)c(c2)C#N)cn1","InChI=1S/C25H29N9O/c1-33-9-5-19(6-10-33)30-23-3-2-20(15-28-23)31-25-27-8-4-22(32-25)18-12-17(13-26)24(29-14-18)34-11-7-21(35)16-34/h2-4,8,12,14-15,19,21,35H,5-7,9-11,16H2,1H3,(H,28,30)(H,27,31,32)/t21-/m0/s1","LUXZWPZGZIOIMY-NRFANRHFSA-N",null,"<100",{"$nulls":4},7.5]
["D12167",16036,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246018","CN1CCC(CC1)Nc1ccc(Nc2nccc(n2)-c2cnc(NC3CCOC3)c(c2)C#N)cn1","InChI=1S/C25H29N9O/c1-34-9-5-19(6-10-34)30-23-3-2-20(15-28-23)32-25-27-8-4-22(33-25)18-12-17(13-26)24(29-14-18)31-21-7-11-35-16-21/h2-4,8,12,14-15,19,21H,5-7,9-11,16H2,1H3,(H,28,30)(H,29,31)(H,27,32,33)","BKBTVJQEUOUTIF-UHFFFAOYSA-N",null,"<100",{"$nulls":4},7.5]
["D12168",16038,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246024","CN1CCC(CC1)Nc1ccc(Nc2nccc(n2)-c2cnc(NCCO)c(c2)C#N)cn1","InChI=1S/C23H27N9O/c1-32-9-5-18(6-10-32)29-21-3-2-19(15-27-21)30-23-26-7-4-20(31-23)17-12-16(13-24)22(28-14-17)25-8-11-33/h2-4,7,12,14-15,18,33H,5-6,8-11H2,1H3,(H,25,28)(H,27,29)(H,26,30,31)","ITONMNJULYBUAG-UHFFFAOYSA-N",null,"<100",{"$nulls":4},7.5]
["D12169",18,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401901","CN1CCC(CC1)c1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C27H38N6O/c1-33-16-12-20(13-17-33)19-8-10-23(11-9-19)31-27-30-18-24(21-6-7-21)25(32-27)28-14-3-15-29-26(34)22-4-2-5-22/h8-11,18,20-22H,2-7,12-17H2,1H3,(H,29,34)(H2,28,30,31,32)","KDVSDCOOYFNFIM-UHFFFAOYSA-N",null,660]
["D12170",15001,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277854","CN1CCC(CC1)c1ccc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cc1","InChI=1S/C27H30N6O2/c1-33-12-8-20(9-13-33)19-2-5-23(6-3-19)31-27-30-18-29-26(32-27)21-4-7-25(22(16-21)17-28)35-24-10-14-34-15-11-24/h2-7,16,18,20,24H,8-15H2,1H3,(H,29,30,31,32)","ZYXAFPZQDYBFBQ-UHFFFAOYSA-N",null,1]
["D12171",17075,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278080","CN1CCC(CC1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(CC3(F)F)C(C)=O)c(c2)C#N)cc1","InChI=1S/C29H31F2N7O2/c1-19(39)38-14-11-26(29(30,31)17-38)40-25-8-5-22(15-23(25)16-32)27-33-18-34-28(36-27)35-24-6-3-20(4-7-24)21-9-12-37(2)13-10-21/h3-8,15,18,21,26H,9-14,17H2,1-2H3,(H,33,34,35,36)/t26-/m0/s1","RYQFIFAMXTXXOR-SANMLTNESA-N",null,2000,{"$nulls":4},7]
["D12172",17076,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278082","CN1CCC(CC1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(CC3(F)F)C=O)c(c2)C#N)cc1C","InChI=1S/C29H31F2N7O2/c1-19-13-23(4-5-24(19)20-7-10-37(2)11-8-20)35-28-34-17-33-27(36-28)21-3-6-25(22(14-21)15-32)40-26-9-12-38(18-39)16-29(26,30)31/h3-6,13-14,17-18,20,26H,7-12,16H2,1-2H3,(H,33,34,35,36)/t26-/m0/s1","NQLGOSWSXPDDSV-SANMLTNESA-N",null,2000,{"$nulls":4},7]
["D12173",14601,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278266","CN1CCC(CC1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CC#N)c(c2)C#N)cc1C","InChI=1S/C31H33FN8O2/c1-20-15-24(4-5-25(20)21-8-12-39(2)13-9-21)37-31-36-19-35-30(38-31)22-3-6-27(23(16-22)17-34)42-28-10-14-40(18-26(28)32)29(41)7-11-33/h3-6,15-16,19,21,26,28H,7-10,12-14,18H2,1-2H3,(H,35,36,37,38)/t26-,28+/m1/s1","PRELXQNFYRQFTQ-IAPPQJPRSA-N",null,4]
["D12174",14466,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278263","CN1CCC(CC1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)c3cn(C)nn3)c(c2)C#N)cc1C","InChI=1S/C32H35FN10O2/c1-20-14-24(5-6-25(20)21-8-11-41(2)12-9-21)37-32-36-19-35-30(38-32)22-4-7-28(23(15-22)16-34)45-29-10-13-43(17-26(29)33)31(44)27-18-42(3)40-39-27/h4-7,14-15,18-19,21,26,29H,8-13,17H2,1-3H3,(H,35,36,37,38)/t26-,29+/m1/s1","CAVHGBLDRHUXIQ-UHSQPCAPSA-N",null,3]
["D12175",14476,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278268","CN1CCC(CC1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)c3nnc(C)[nH]3)c(c2)C#N)cc1C",{"$nulls":3},3]
["D12176",14657,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM375575","CN1CCC(CC1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCOC[C@H]3F)c(c2)C#N)cc1","InChI=1S/C27H29FN6O2/c1-34-11-8-19(9-12-34)18-2-5-22(6-3-18)32-27-31-17-30-26(33-27)20-4-7-24(21(14-20)15-29)36-25-10-13-35-16-23(25)28/h2-7,14,17,19,23,25H,8-13,16H2,1H3,(H,30,31,32,33)/t23-,25+/m1/s1","FKKXZTUVHWKAQM-NOZRDPDXSA-N",null,4]
["D12177",14719,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144141","CN1CCC(CC1)c1ccnc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1","InChI=1S/C28H31N5O2/c1-33-12-6-20(7-13-33)22-4-10-30-27(17-22)32-28-18-23(5-11-31-28)21-2-3-26(24(16-21)19-29)35-25-8-14-34-15-9-25/h2-5,10-11,16-18,20,25H,6-9,12-15H2,1H3,(H,30,31,32)","UONSKTNQTWRUCS-UHFFFAOYSA-N",null,5,{"$nulls":4},7.5,"30.00 C"]
["D12178",15964,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144182","CN1CCC(CC1)n1cc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1","InChI=1S/C26H30N6O2/c1-31-10-5-23(6-11-31)32-18-22(17-29-32)30-26-15-20(4-9-28-26)19-2-3-25(21(14-19)16-27)34-24-7-12-33-13-8-24/h2-4,9,14-15,17-18,23-24H,5-8,10-13H2,1H3,(H,28,30)","DGPQTKIPTWLNAJ-UHFFFAOYSA-N",null,83,{"$nulls":4},7.5,"30.00 C"]
["D12179",26000,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481473","CN1CCC(CN2CCN(CC2)C(=O)CC(c2ccccc2)c2ccccc2)CC1","InChI=1S/C26H35N3O/c1-27-14-12-22(13-15-27)21-28-16-18-29(19-17-28)26(30)20-25(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-11,22,25H,12-21H2,1H3","SNLUJUXVFVOODX-UHFFFAOYSA-N",null,2400]
["D12180",16456,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278374","CN1CCC(COc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)CC1=O","InChI=1S/C30H34N8O3/c1-36-9-8-21(14-28(36)39)17-41-27-7-2-22(15-23(27)16-31)29-32-20-33-30(35-29)34-24-3-5-25(6-4-24)37-10-12-38(13-11-37)26-18-40-19-26/h2-7,15,20-21,26H,8-14,17-19H2,1H3,(H,32,33,34,35)","OKIMOIGNOKZXCY-UHFFFAOYSA-N",null,264]
["D12181",16024,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205200","CN1CCC(Cc2ccc(cc2)C(=O)Nc2sc(nc2C(N)=O)-c2ccncc2)CC1","InChI=1S/C23H25N5O2S/c1-28-12-8-16(9-13-28)14-15-2-4-17(5-3-15)21(30)27-23-19(20(24)29)26-22(31-23)18-6-10-25-11-7-18/h2-7,10-11,16H,8-9,12-14H2,1H3,(H2,24,29)(H,27,30)","LIYOMPYVPWOZJX-UHFFFAOYSA-N",null,100,{"$nulls":4},7.5,"30.00 C"]
["D12182",25972,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481463","CN1CCCC(C1)C(N1CCN(CC1)C(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1","InChI=1S/C32H39N3O/c1-33-19-11-18-29(25-33)32(28-16-9-4-10-17-28)35-22-20-34(21-23-35)31(36)24-30(26-12-5-2-6-13-26)27-14-7-3-8-15-27/h2-10,12-17,29-30,32H,11,18-25H2,1H3","KGKFKQGQYIUQAL-UHFFFAOYSA-N",null,270]
["D12183",17399,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397728","CN1CCN(CC1)C(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C21H24N8O2/c1-28-4-6-29(7-5-28)20(30)13-25-16-8-15(10-23-17(16)9-22)18-11-26-19(12-24-18)27-21(31)14-2-3-14/h8,10-12,14,25H,2-7,13H2,1H3,(H,26,27,31)","HLXADTGMWZIEJY-UHFFFAOYSA-N",null,3162]
["D12184",31723,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43646","CN1CCN(CC1)C(=O)CNc1ccc(cc1[N+]([O-])=O)C(F)(F)F","InChI=1S/C14H17F3N4O3/c1-19-4-6-20(7-5-19)13(22)9-18-11-3-2-10(14(15,16)17)8-12(11)21(23)24/h2-3,8,18H,4-7,9H2,1H3","IZDRIHHIVOELII-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D12185",16921,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276942","CN1CCN(CC1)C(=O)c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C25H27N5O3/c1-29-8-10-30(11-9-29)25(31)22-15-21-20(4-7-27-24(21)28-22)17-2-3-23(18(14-17)16-26)33-19-5-12-32-13-6-19/h2-4,7,14-15,19H,5-6,8-13H2,1H3,(H,27,28)","CPOMPMCLFHSOKH-UHFFFAOYSA-N",null,1000]
["D12186",17202,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50401928","CN1CCN(CC1)C(=O)c1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cc1","InChI=1S/C27H37N7O2/c1-33-14-16-34(17-15-33)26(36)21-8-10-22(11-9-21)31-27-30-18-23(19-6-7-19)24(32-27)28-12-3-13-29-25(35)20-4-2-5-20/h8-11,18-20H,2-7,12-17H2,1H3,(H,29,35)(H2,28,30,31,32)","IKRDKGDJCNVTCF-UHFFFAOYSA-N",null,2]
["D12187",14815,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277897","CN1CCN(CC1)C(=O)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)cc1","InChI=1S/C29H31FN8O4/c1-36-10-12-37(13-11-36)28(41)19-2-5-22(6-3-19)34-29-33-18-32-27(35-29)20-4-7-24(21(14-20)15-31)42-25-8-9-38(16-23(25)30)26(40)17-39/h2-7,14,18,23,25,39H,8-13,16-17H2,1H3,(H,32,33,34,35)/t23-,25+/m1/s1","QRQGHALETIKFSZ-NOZRDPDXSA-N",null,6]
["D12188",16073,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276985","CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)CO)c(c1)C#N","InChI=1S/C32H33N7O4/c1-37-12-14-39(15-13-37)32(42)22-4-2-21(3-5-22)27-17-26-30(34-20-35-31(26)36-27)23-6-7-28(24(16-23)18-33)43-25-8-10-38(11-9-25)29(41)19-40/h2-7,16-17,20,25,40H,8-15,19H2,1H3,(H,34,35,36)","RXRLWNRSQUSJOR-UHFFFAOYSA-N",null,1.56]
["D12189",15522,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277010","CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C30H30N6O3/c1-35-10-12-36(13-11-35)30(37)21-4-2-20(3-5-21)26-17-25-28(32-19-33-29(25)34-26)22-6-7-27(23(16-22)18-31)39-24-8-14-38-15-9-24/h2-7,16-17,19,24H,8-15H2,1H3,(H,32,33,34)","DYRXRIMUJAAMQI-UHFFFAOYSA-N",null,1.16]
["D12190",32029,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67093","CN1CCN(CC1)C(=O)c1ccc(cc1)-n1c(=S)[nH]c2ccccc2c1=O","InChI=1S/C20H20N4O2S/c1-22-10-12-23(13-11-22)18(25)14-6-8-15(9-7-14)24-19(26)16-4-2-3-5-17(16)21-20(24)27/h2-9H,10-13H2,1H3,(H,21,27)","DLRNIMFFQVLLII-UHFFFAOYSA-N",null,">55690"]
["D12191",16516,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205208","CN1CCN(CC1)C(=O)c1ccc(cc1)C(=O)Nc1sc(nc1C(N)=O)-c1ccncc1","InChI=1S/C22H22N6O3S/c1-27-10-12-28(13-11-27)22(31)16-4-2-14(3-5-16)19(30)26-21-17(18(23)29)25-20(32-21)15-6-8-24-9-7-15/h2-9H,10-13H2,1H3,(H2,23,29)(H,26,30)","GYYWMDGSCLNAQU-UHFFFAOYSA-N",null,310,{"$nulls":4},7.5,"30.00 C"]
["D12192",15587,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148109","CN1CCN(CC1)C(=O)c1cccc(Nc2nccc(n2)-c2ccc(N3CCCC3)c(c2)C#N)c1","InChI=1S/C27H29N7O/c1-32-13-15-34(16-14-32)26(35)21-5-4-6-23(18-21)30-27-29-10-9-24(31-27)20-7-8-25(22(17-20)19-28)33-11-2-3-12-33/h4-10,17-18H,2-3,11-16H2,1H3,(H,29,30,31)","IZTKRBBCYNZMMI-UHFFFAOYSA-N",null,"<30",{"$nulls":4},7.5]
["D12193",15627,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245934","CN1CCN(CC1)C(=O)c1cccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)c1","InChI=1S/C26H27FN8O/c1-33-9-11-34(12-10-33)25(36)18-3-2-4-22(14-18)31-26-29-7-5-23(32-26)20-13-19(15-28)24(30-16-20)35-8-6-21(27)17-35/h2-5,7,13-14,16,21H,6,8-12,17H2,1H3,(H,29,31,32)/t21-/m0/s1","MXKPJULCESVDGU-NRFANRHFSA-N",null,"<30",{"$nulls":4},7.5]
["D12194",12425,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM34408","CN1CCN(CC1)C(=O)c1sc(=S)n(c1N)-c1ccc(C)cc1","InChI=1S/C16H20N4OS2/c1-11-3-5-12(6-4-11)20-14(17)13(23-16(20)22)15(21)19-9-7-18(2)8-10-19/h3-6H,7-10,17H2,1-2H3","JDJIWCZWIJBATK-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D12195",4671,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66611","CN1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)Nc1nc(C)cs1","InChI=1S/C16H20N4O3S2/c1-12-11-24-16(17-12)18-15(21)13-4-3-5-14(10-13)25(22,23)20-8-6-19(2)7-9-20/h3-5,10-11H,6-9H2,1-2H3,(H,17,18,21)","KPGOQIFBKFXEEQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12196",16565,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153721","CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Oc2ccc(C)cc2)n1","InChI=1S/C20H25N7O/c1-14-4-6-16(7-5-14)28-20-22-17(21-18-12-15(2)24-25-18)13-19(23-20)27-10-8-26(3)9-11-27/h4-7,12-13H,8-11H2,1-3H3,(H2,21,22,23,24,25)","KVUFEDZSADYFSM-UHFFFAOYSA-N",null,380]
["D12197",16793,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153726","CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Oc2ccc(Cl)c(F)c2)n1","InChI=1S/C19H21ClFN7O/c1-12-9-17(26-25-12)22-16-11-18(28-7-5-27(2)6-8-28)24-19(23-16)29-13-3-4-14(20)15(21)10-13/h3-4,9-11H,5-8H2,1-2H3,(H2,22,23,24,25,26)","FTOOXSGHTDGYCE-UHFFFAOYSA-N",null,720]
["D12198",17392,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153727","CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Oc2ccc(Cl)c(c2)C(F)(F)F)n1","InChI=1S/C20H21ClF3N7O/c1-12-9-17(29-28-12)25-16-11-18(31-7-5-30(2)6-8-31)27-19(26-16)32-13-3-4-15(21)14(10-13)20(22,23)24/h3-4,9-11H,5-8H2,1-2H3,(H2,25,26,27,28,29)","NDZGUCCWZFMVIO-UHFFFAOYSA-N",null,3000]
["D12199",16984,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153724","CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Oc2ccc(Cl)cc2)n1","InChI=1S/C19H22ClN7O/c1-13-11-17(25-24-13)21-16-12-18(27-9-7-26(2)8-10-27)23-19(22-16)28-15-5-3-14(20)4-6-15/h3-6,11-12H,7-10H2,1-2H3,(H2,21,22,23,24,25)","WPIDGMOQLPNMNQ-UHFFFAOYSA-N",null,1190]
["D12200",16825,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153723","CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Oc2ccc(F)cc2)n1","InChI=1S/C19H22FN7O/c1-13-11-17(25-24-13)21-16-12-18(27-9-7-26(2)8-10-27)23-19(22-16)28-15-5-3-14(20)4-6-15/h3-6,11-12H,7-10H2,1-2H3,(H2,21,22,23,24,25)","OBVJFUCJPICORB-UHFFFAOYSA-N",null,840]
["D12201",16794,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153728","CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Oc2ccc(N)cc2)n1","InChI=1S/C19H24N8O/c1-13-11-17(25-24-13)21-16-12-18(27-9-7-26(2)8-10-27)23-19(22-16)28-15-5-3-14(20)4-6-15/h3-6,11-12H,7-10,20H2,1-2H3,(H2,21,22,23,24,25)","KWFNPPHHKZGWMQ-UHFFFAOYSA-N",null,730]
["D12202",17273,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153719","CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Oc2ccc(cc2)C(C)(C)C)n1","InChI=1S/C23H31N7O/c1-16-14-20(28-27-16)24-19-15-21(30-12-10-29(5)11-13-30)26-22(25-19)31-18-8-6-17(7-9-18)23(2,3)4/h6-9,14-15H,10-13H2,1-5H3,(H2,24,25,26,27,28)","KWKSNBJHBLKASI-UHFFFAOYSA-N",null,2660]
["D12203",16485,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153725","CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Oc2ccc(cc2)C(F)(F)F)n1","InChI=1S/C20H22F3N7O/c1-13-11-17(28-27-13)24-16-12-18(30-9-7-29(2)8-10-30)26-19(25-16)31-15-5-3-14(4-6-15)20(21,22)23/h3-6,11-12H,7-10H2,1-2H3,(H2,24,25,26,27,28)","FAWGFTNQNJRUMT-UHFFFAOYSA-N",null,290]
["D12204",15863,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153718","CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Oc2ccc(cc2)[N+]([O-])=O)n1","InChI=1S/C19H22N8O3/c1-13-11-17(24-23-13)20-16-12-18(26-9-7-25(2)8-10-26)22-19(21-16)30-15-5-3-14(4-6-15)27(28)29/h3-6,11-12H,7-10H2,1-2H3,(H2,20,21,22,23,24)","GYXIFIORIDAIKZ-UHFFFAOYSA-N",null,60]
["D12205",17020,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153717","CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Oc2cccc(c2)[N+]([O-])=O)n1","InChI=1S/C19H22N8O3/c1-13-10-17(24-23-13)20-16-12-18(26-8-6-25(2)7-9-26)22-19(21-16)30-15-5-3-4-14(11-15)27(28)29/h3-5,10-12H,6-9H2,1-2H3,(H2,20,21,22,23,24)","HZKIIUFULFKKEU-UHFFFAOYSA-N",null,1410]
["D12206",17262,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153716","CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Oc2ccccc2[N+]([O-])=O)n1","InChI=1S/C19H22N8O3/c1-13-11-17(24-23-13)20-16-12-18(26-9-7-25(2)8-10-26)22-19(21-16)30-15-6-4-3-5-14(15)27(28)29/h3-6,11-12H,7-10H2,1-2H3,(H2,20,21,22,23,24)","JHVMOSZMDRINOY-UHFFFAOYSA-N",null,2350]
["D12207",17572,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50004205","CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1","InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)","GCIKSSRWRFVXBI-UHFFFAOYSA-N",null,6220]
["D12208",17618,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153739","CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(n1)C#Cc1ccccc1","InChI=1S/C21H23N7/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17/h3-7,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26)","YARGQNDSHRVPPT-UHFFFAOYSA-N",null,">8.6e+3"]
["D12209",25936,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM13534","CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1","InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)","GCIKSSRWRFVXBI-UHFFFAOYSA-N",null,null,">10000"]
["D12210",12327,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM64106","CN1CCN(CC1)c1ccc(NC(=O)N2CCc3ccccc23)cc1","InChI=1S/C20H24N4O/c1-22-12-14-23(15-13-22)18-8-6-17(7-9-18)21-20(25)24-11-10-16-4-2-3-5-19(16)24/h2-9H,10-15H2,1H3,(H,21,25)","ZYNVTZVPJIPRQT-UHFFFAOYSA-N",null,">35873"]
["D12211",16126,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570825","CN1CCN(CC1)c1ccc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(c2)C#N)nc1","InChI=1S/C26H29N7O2/c1-32-8-10-33(11-9-32)21-3-5-25(28-17-21)31-26-15-23(29-18-30-26)19-2-4-24(20(14-19)16-27)35-22-6-12-34-13-7-22/h2-5,14-15,17-18,22H,6-13H2,1H3,(H,28,29,30,31)","PGHZLOVAZOKALJ-UHFFFAOYSA-N",null,"<100"]
["D12212",16670,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50365216","CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)c2ccc3OCCOc3c2)cc1","InChI=1S/C23H25N5O3S/c1-27-8-10-28(11-9-27)17-5-3-16(4-6-17)25-23-26-22(24)21(32-23)20(29)15-2-7-18-19(14-15)31-13-12-30-18/h2-7,14H,8-13,24H2,1H3,(H,25,26)","YGEYFDLYGXSZCP-UHFFFAOYSA-N",null,460]
["D12213",16293,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50389967","CN1CCN(CC1)c1ccc(Nc2ncc(F)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)cc1C","InChI=1S/C24H30FN7O/c1-14-11-17(5-6-19(14)32-9-7-31(2)8-10-32)28-24-27-13-18(25)23(30-24)29-21-16-4-3-15(12-16)20(21)22(26)33/h3-6,11,13,15-16,20-21H,7-10,12H2,1-2H3,(H2,26,33)(H2,27,28,29,30)/t15-,16+,20+,21-/m1/s1","KSOVGRCOLZZTPF-QMKUDKLTSA-N",null,140]
["D12214",15577,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148085","CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(N3CCCC3)c(c2)C#N)cn1","InChI=1S/C25H28N8/c1-31-12-14-33(15-13-31)24-7-5-21(18-28-24)29-25-27-9-8-22(30-25)19-4-6-23(20(16-19)17-26)32-10-2-3-11-32/h4-9,16,18H,2-3,10-15H2,1H3,(H,27,29,30)","NTJANNYRMDLZDP-UHFFFAOYSA-N",null,"<30",{"$nulls":4},7.5]
["D12215",15594,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148120","CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(N3CCC[C@@H]3C(N)=O)c(c2)C#N)cn1","InChI=1S/C26H29N9O/c1-33-11-13-34(14-12-33)24-7-5-20(17-30-24)31-26-29-9-8-21(32-26)18-4-6-22(19(15-18)16-27)35-10-2-3-23(35)25(28)36/h4-9,15,17,23H,2-3,10-14H2,1H3,(H2,28,36)(H,29,31,32)/t23-/m1/s1","RCFVWPAVMAADGH-HSZRJFAPSA-N",null,"<30",{"$nulls":4},7.5]
["D12216",15593,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148119","CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2ccc(N3CC[C@H](O)C3)c(c2)C#N)cn1","InChI=1S/C25H28N8O/c1-31-10-12-32(13-11-31)24-5-3-20(16-28-24)29-25-27-8-6-22(30-25)18-2-4-23(19(14-18)15-26)33-9-7-21(34)17-33/h2-6,8,14,16,21,34H,7,9-13,17H2,1H3,(H,27,29,30)/t21-/m0/s1","PQMQHUYGINTPBN-NRFANRHFSA-N",null,"<30",{"$nulls":4},7.5]
["D12217",15233,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245931","CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnc(N3CCCC3)c(c2)C#N)cn1","InChI=1S/C24H27N9/c1-31-10-12-32(13-11-31)22-5-4-20(17-27-22)29-24-26-7-6-21(30-24)19-14-18(15-25)23(28-16-19)33-8-2-3-9-33/h4-7,14,16-17H,2-3,8-13H2,1H3,(H,26,29,30)","HGMQENWFUFHYOD-UHFFFAOYSA-N",null,"<15",{"$nulls":4},7.5]
["D12218",15213,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245952","CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1","InChI=1S/C24H26FN9/c1-32-8-10-33(11-9-32)22-3-2-20(15-28-22)30-24-27-6-4-21(31-24)18-12-17(13-26)23(29-14-18)34-7-5-19(25)16-34/h2-4,6,12,14-15,19H,5,7-11,16H2,1H3,(H,27,30,31)/t19-/m0/s1","BRIFJMBGDLWTAV-IBGZPJMESA-N",null,"<15",{"$nulls":4},7.5]
["D12219",16396,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50293150","CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1C(F)(F)F","InChI=1S/C22H21F3N8/c1-31-9-11-32(12-10-31)20-5-4-15(13-17(20)22(23,24)25)29-21-26-8-6-18(30-21)16-14-28-33-19(16)3-2-7-27-33/h2-8,13-14H,9-12H2,1H3,(H,26,29,30)","ZOTNSCLLJKXGSD-UHFFFAOYSA-N",null,211]
["D12220",14987,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277790","CN1CCN(CC1)c1ccc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cc1","InChI=1S/C26H29N7O2/c1-32-10-12-33(13-11-32)22-5-3-21(4-6-22)30-26-29-18-28-25(31-26)19-2-7-24(20(16-19)17-27)35-23-8-14-34-15-9-23/h2-7,16,18,23H,8-15H2,1H3,(H,28,29,30,31)","ARBLXXNFXKUHFP-UHFFFAOYSA-N",null,1]
["D12221",14929,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277864","CN1CCN(CC1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@@H]3CCN(C3)C(=O)CO)c(c2)C#N)cc1","InChI=1S/C27H30N8O3/c1-33-10-12-34(13-11-33)22-5-3-21(4-6-22)31-27-30-18-29-26(32-27)19-2-7-24(20(14-19)15-28)38-23-8-9-35(16-23)25(37)17-36/h2-7,14,18,23,36H,8-13,16-17H2,1H3,(H,29,30,31,32)/t23-/m1/s1","ZXYLQEMMCWYJRP-HSZRJFAPSA-N",null,8]
["D12222",17434,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278078","CN1CCN(CC1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCOC[C@H]3F)c(c2)C#N)cc1","InChI=1S/C26H28FN7O2/c1-33-9-11-34(12-10-33)21-5-3-20(4-6-21)31-26-30-17-29-25(32-26)18-2-7-23(19(14-18)15-28)36-24-8-13-35-16-22(24)27/h2-7,14,17,22,24H,8-13,16H2,1H3,(H,29,30,31,32)/t22-,24+/m1/s1","KHRISKHKLBHVIT-VWNXMTODSA-N",null,4000,{"$nulls":4},7]
["D12223",14460,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276896","CN1CCN(CC1)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C30H31N5O2/c1-34-12-14-35(15-13-34)24-5-2-21(3-6-24)28-19-27-26(8-11-32-30(27)33-28)22-4-7-29(23(18-22)20-31)37-25-9-16-36-17-10-25/h2-8,11,18-19,25H,9-10,12-17H2,1H3,(H,32,33)","DIAWAPOAQNZIDW-UHFFFAOYSA-N",null,0.9]
["D12224",18282,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277028","CN1CCN(CC1)c1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C29H30N6O2/c1-34-10-12-35(13-11-34)23-5-2-20(3-6-23)26-17-25-28(31-19-32-29(25)33-26)21-4-7-27(22(16-21)18-30)37-24-8-14-36-15-9-24/h2-7,16-17,19,24H,8-15H2,1H3,(H,31,32,33)","SRGAHDUUSDDCQN-UHFFFAOYSA-N",null,2.5]
["D12225",16102,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276929","CN1CCN(CC1)c1ccc(cc1)-c1nc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C29H30N6O2/c1-34-12-14-35(15-13-34)23-5-2-20(3-6-23)28-32-27-25(8-11-31-29(27)33-28)21-4-7-26(22(18-21)19-30)37-24-9-16-36-17-10-24/h2-8,11,18,24H,9-10,12-17H2,1H3,(H,31,32,33)","KBAYTZZAEKKNSB-UHFFFAOYSA-N",null,1.85]
["D12226",14589,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277076","CN1CCN(CC1)c1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)C(F)F)c(c1)C#N","InChI=1S/C30H30F2N8O2/c1-38-12-14-39(15-13-38)22-5-2-19(3-6-22)28-36-26-25(34-18-35-29(26)37-28)20-4-7-24(21(16-20)17-33)42-23-8-10-40(11-9-23)30(41)27(31)32/h2-7,16,18,23,27H,8-15H2,1H3,(H,34,35,36,37)","WJAQTTIMBYEQHZ-UHFFFAOYSA-N",null,3.92]
["D12227",14457,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277059","CN1CCN(CC1)c1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)CO)c(c1)C#N","InChI=1S/C30H32N8O3/c1-36-12-14-37(15-13-36)23-5-2-20(3-6-23)29-34-28-27(32-19-33-30(28)35-29)21-4-7-25(22(16-21)17-31)41-24-8-10-38(11-9-24)26(40)18-39/h2-7,16,19,24,39H,8-15,18H2,1H3,(H,32,33,34,35)","HIUCWYPTDQQKJJ-UHFFFAOYSA-N",null,0.883]
["D12228",16928,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277054","CN1CCN(CC1)c1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)OC(C)(C)C)c(c1)C#N","InChI=1S/C33H38N8O3/c1-33(2,3)44-32(42)41-13-11-26(12-14-41)43-27-10-7-23(19-24(27)20-34)28-29-31(36-21-35-28)38-30(37-29)22-5-8-25(9-6-22)40-17-15-39(4)16-18-40/h5-10,19,21,26H,11-18H2,1-4H3,(H,35,36,37,38)","AHEIIGOOYVFVHZ-UHFFFAOYSA-N",null,1000]
["D12229",14671,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277062","CN1CCN(CC1)c1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C=O)c(c1)C#N","InChI=1S/C29H30N8O2/c1-35-12-14-37(15-13-35)23-5-2-20(3-6-23)28-33-27-26(31-18-32-29(27)34-28)21-4-7-25(22(16-21)17-30)39-24-8-10-36(19-38)11-9-24/h2-7,16,18-19,24H,8-15H2,1H3,(H,31,32,33,34)","NRKMZCZZOKWFKH-UHFFFAOYSA-N",null,4.22]
["D12230",15110,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277055","CN1CCN(CC1)c1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCNCC2)c(c1)C#N","InChI=1S/C28H30N8O/c1-35-12-14-36(15-13-35)22-5-2-19(3-6-22)27-33-26-25(31-18-32-28(26)34-27)20-4-7-24(21(16-20)17-29)37-23-8-10-30-11-9-23/h2-7,16,18,23,30H,8-15H2,1H3,(H,31,32,33,34)","VNRNJXNFBFEFOW-UHFFFAOYSA-N",null,11.3,{"$nulls":4},7]
["D12231",15521,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276921","CN1CCN(CC1)c1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C28H29N7O2/c1-34-10-12-35(13-11-34)22-5-2-19(3-6-22)27-32-26-25(30-18-31-28(26)33-27)20-4-7-24(21(16-20)17-29)37-23-8-14-36-15-9-23/h2-7,16,18,23H,8-15H2,1H3,(H,30,31,32,33)","JQPQSEFPDRQHEC-UHFFFAOYSA-N",null,1.14,{"$nulls":4},7]
["D12232",16503,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148113","CN1CCN(CC1)c1ccc(cc1C#N)-c1ccnc(Nc2ccc(NC(C)=O)nc2)n1","InChI=1S/C23H24N8O/c1-16(32)27-22-6-4-19(15-26-22)28-23-25-8-7-20(29-23)17-3-5-21(18(13-17)14-24)31-11-9-30(2)10-12-31/h3-8,13,15H,9-12H2,1-2H3,(H,25,28,29)(H,26,27,32)","OKNIZOCXEVVMIG-UHFFFAOYSA-N",null,"<300",{"$nulls":4},7.5]
["D12233",15864,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153731","CN1CCN(CC1)c1ccc2N\\C(Nc2c1)=C1\\C(=O)N=c2cccc(F)c2=C1N","InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11,24-25H,7-10,23H2,1H3/b20-18-","KCOYQXZDFIIGCY-ZZEZOPTASA-N",null,60]
["D12234",25900,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM25118","CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O","InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29)","PIQCTGMSNWUMAF-UHFFFAOYSA-N",null,null,">10000"]
["D12235",17498,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277840","CN1CCN(CC1)c1cccc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1","InChI=1S/C26H29N7O2/c1-32-9-11-33(12-10-32)22-4-2-3-21(16-22)30-26-29-18-28-25(31-26)19-5-6-24(20(15-19)17-27)35-23-7-13-34-14-8-23/h2-6,15-16,18,23H,7-14H2,1H3,(H,28,29,30,31)","FAXUVTJLWNOGGL-UHFFFAOYSA-N",null,5000,{"$nulls":4},7]
["D12236",12319,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM4824","CN1CCN(CC1)c1cccc2C(=O)c3ccccc3C(=O)c12","InChI=1S/C19H18N2O2/c1-20-9-11-21(12-10-20)16-8-4-7-15-17(16)19(23)14-6-3-2-5-13(14)18(15)22/h2-8H,9-12H2,1H3","OIEZQGTXHKRASP-UHFFFAOYSA-N",null,">35871"]
["D12237",16543,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144147","CN1CCN(CC1)c1ccnc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1","InChI=1S/C27H30N6O2/c1-32-10-12-33(13-11-32)23-5-9-30-27(18-23)31-26-17-21(4-8-29-26)20-2-3-25(22(16-20)19-28)35-24-6-14-34-15-7-24/h2-5,8-9,16-18,24H,6-7,10-15H2,1H3,(H,29,30,31)","RURLEFVQRJFOOD-UHFFFAOYSA-N",null,350,{"$nulls":4},7.5,"30.00 C"]
["D12238",4254,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66255","CN1CCN(CC1)c1nccc2n(C)cnc12","InChI=1S/C12H17N5/c1-15-5-7-17(8-6-15)12-11-10(3-4-13-12)16(2)9-14-11/h3-4,9H,5-8H2,1-2H3","WPVYJCYRDATDRQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12239",31788,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43585","CN1CCN(CCCNC(=O)c2cc3c(nn(C)c3s2)-c2ccc(Cl)cc2)CC1","InChI=1S/C21H26ClN5OS/c1-25-10-12-27(13-11-25)9-3-8-23-20(28)18-14-17-19(24-26(2)21(17)29-18)15-4-6-16(22)7-5-15/h4-7,14H,3,8-13H2,1-2H3,(H,23,28)","BDBKSQZFDAPJNK-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D12240",3968,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66875","CN1CCN(CCCNC(=O)c2ccc3c(Cl)c4CCCCc4nc3c2)CC1","InChI=1S/C22H29ClN4O/c1-26-11-13-27(14-12-26)10-4-9-24-22(28)16-7-8-18-20(15-16)25-19-6-3-2-5-17(19)21(18)23/h7-8,15H,2-6,9-14H2,1H3,(H,24,28)","DGWMMZMTYNKYLU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12241",14420,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50463484","CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1","InChI=1S/C26H30N6O2S/c1-31-10-12-32(13-11-31)9-4-14-34-20-6-2-5-19(15-20)16-24(33)30-26-29-23(18-35-26)22-17-28-25-21(22)7-3-8-27-25/h2-3,5-8,15,17-18H,4,9-14,16H2,1H3,(H,27,28)(H,29,30,33)","KWQRIWDMNAKJAF-UHFFFAOYSA-N",">10000"]
["D12242",3856,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66782","CN1CCN(CCNC(=O)Nc2ccc(Cl)cc2)CC1","InChI=1S/C14H21ClN4O/c1-18-8-10-19(11-9-18)7-6-16-14(20)17-13-4-2-12(15)3-5-13/h2-5H,6-11H2,1H3,(H2,16,17,20)","JXXNUZHEJSGKMM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12243",17053,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205181","CN1CCN(Cc2ccc(Nc3sc(nc3C(N)=O)-c3ccncc3)cc2)CC1","InChI=1S/C21H24N6OS/c1-26-10-12-27(13-11-26)14-15-2-4-17(5-3-15)24-21-18(19(22)28)25-20(29-21)16-6-8-23-9-7-16/h2-9,24H,10-14H2,1H3,(H2,22,28)","VUXSMJMFFIEGDP-UHFFFAOYSA-N",null,1700,{"$nulls":4},7.5,"30.00 C"]
["D12244",25912,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM50355495","CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1","InChI=1S/C28H30N6OS/c1-20-5-10-24(16-25(20)31-28-32-26(19-36-28)23-4-3-11-29-17-23)30-27(35)22-8-6-21(7-9-22)18-34-14-12-33(2)13-15-34/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,30,35)(H,31,32)","WJEOLQLKVOPQFV-UHFFFAOYSA-N",null,null,">10000"]
["D12245",25875,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM13530","CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1","InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)","KTUFNOKKBVMGRW-UHFFFAOYSA-N",null,null,">10000"]
["D12246",17615,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205219","CN1CCN(Cc2ccc(cc2)C(=O)Nc2sc(nc2C#N)-c2ccncc2)CC1","InChI=1S/C22H22N6OS/c1-27-10-12-28(13-11-27)15-16-2-4-17(5-3-16)20(29)26-22-19(14-23)25-21(30-22)18-6-8-24-9-7-18/h2-9H,10-13,15H2,1H3,(H,26,29)","HQYNJWTWMVIIQO-UHFFFAOYSA-N",null,8200,{"$nulls":4},7.5,"30.00 C"]
["D12247",16594,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205174","CN1CCN(Cc2ccc(cc2)C(=O)Nc2sc(nc2C(N)=O)-c2ccnc(C)c2)CC1","InChI=1S/C23H26N6O2S/c1-15-13-18(7-8-25-15)22-26-19(20(24)30)23(32-22)27-21(31)17-5-3-16(4-6-17)14-29-11-9-28(2)10-12-29/h3-8,13H,9-12,14H2,1-2H3,(H2,24,30)(H,27,31)","WXNQCJRSDVNYKO-UHFFFAOYSA-N",null,410,{"$nulls":4},7.5,"30.00 C"]
["D12248",17014,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205172","CN1CCN(Cc2ccc(cc2)C(=O)Nc2sc(nc2C(N)=O)-c2ccnc(Cl)c2)CC1","InChI=1S/C22H23ClN6O2S/c1-28-8-10-29(11-9-28)13-14-2-4-15(5-3-14)20(31)27-22-18(19(24)30)26-21(32-22)16-6-7-25-17(23)12-16/h2-7,12H,8-11,13H2,1H3,(H2,24,30)(H,27,31)","VSVRMEWVTHLXFR-UHFFFAOYSA-N",null,1400,{"$nulls":4},7.5,"30.00 C"]
["D12249",16757,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205173","CN1CCN(Cc2ccc(cc2)C(=O)Nc2sc(nc2C(N)=O)-c2ccnc(F)c2)CC1","InChI=1S/C22H23FN6O2S/c1-28-8-10-29(11-9-28)13-14-2-4-15(5-3-14)20(31)27-22-18(19(24)30)26-21(32-22)16-6-7-25-17(23)12-16/h2-7,12H,8-11,13H2,1H3,(H2,24,30)(H,27,31)","JJEHKOXQJFSVQK-UHFFFAOYSA-N",null,630,{"$nulls":4},7.5,"30.00 C"]
["D12250",17124,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205176","CN1CCN(Cc2ccc(cc2)C(=O)Nc2sc(nc2C(N)=O)-c2ccnc(c2)C#N)CC1","InChI=1S/C23H23N7O2S/c1-29-8-10-30(11-9-29)14-15-2-4-16(5-3-15)21(32)28-23-19(20(25)31)27-22(33-23)17-6-7-26-18(12-17)13-24/h2-7,12H,8-11,14H2,1H3,(H2,25,31)(H,28,32)","QXLKSIFNOSQVJY-UHFFFAOYSA-N",null,2000,{"$nulls":4},7.5,"30.00 C"]
["D12251",17573,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205175","CN1CCN(Cc2ccc(cc2)C(=O)Nc2sc(nc2C(N)=O)-c2ccnc(c2)C(F)(F)F)CC1","InChI=1S/C23H23F3N6O2S/c1-31-8-10-32(11-9-31)13-14-2-4-15(5-3-14)20(34)30-22-18(19(27)33)29-21(35-22)16-6-7-28-17(12-16)23(24,25)26/h2-7,12H,8-11,13H2,1H3,(H2,27,33)(H,30,34)","ODZCIWWVUPAAKM-UHFFFAOYSA-N",null,6300,{"$nulls":4},7.5,"30.00 C"]
["D12252",16495,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205171","CN1CCN(Cc2ccc(cc2)C(=O)Nc2sc(nc2C(N)=O)-c2ccncc2)CC1","InChI=1S/C22H24N6O2S/c1-27-10-12-28(13-11-27)14-15-2-4-16(5-3-15)20(30)26-22-18(19(23)29)25-21(31-22)17-6-8-24-9-7-17/h2-9H,10-14H2,1H3,(H2,23,29)(H,26,30)","JQSSJNGHYKCXQI-UHFFFAOYSA-N",null,300,{"$nulls":4},7.5,"30.00 C"]
["D12253",16517,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205192","CN1CCN(Cc2ccc(cc2)C(=O)Nc2sc(nc2C(N)=O)-c2ccncc2Br)CC1","InChI=1S/C22H23BrN6O2S/c1-28-8-10-29(11-9-28)13-14-2-4-15(5-3-14)20(31)27-22-18(19(24)30)26-21(32-22)16-6-7-25-12-17(16)23/h2-7,12H,8-11,13H2,1H3,(H2,24,30)(H,27,31)","QYKSYJHYCDJRQT-UHFFFAOYSA-N",null,310,{"$nulls":4},7.5,"30.00 C"]
["D12254",17015,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205188","CN1CCN(Cc2ccc(cc2)C(=O)Nc2sc(nc2C(N)=O)-c2ccncc2C(F)(F)F)CC1","InChI=1S/C23H23F3N6O2S/c1-31-8-10-32(11-9-31)13-14-2-4-15(5-3-14)20(34)30-22-18(19(27)33)29-21(35-22)16-6-7-28-12-17(16)23(24,25)26/h2-7,12H,8-11,13H2,1H3,(H2,27,33)(H,30,34)","GJYIXAOSGFOKFB-UHFFFAOYSA-N",null,1400,{"$nulls":4},7.5,"30.00 C"]
["D12255",16547,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205196","CN1CCN(Cc2ccc(cc2)C(=O)Nc2sc(nc2C(N)=O)-c2ccncc2C)CC1","InChI=1S/C23H26N6O2S/c1-15-13-25-8-7-18(15)22-26-19(20(24)30)23(32-22)27-21(31)17-5-3-16(4-6-17)14-29-11-9-28(2)10-12-29/h3-8,13H,9-12,14H2,1-2H3,(H2,24,30)(H,27,31)","OMSMAWMALYCJCB-UHFFFAOYSA-N",null,350,{"$nulls":4},7.5,"30.00 C"]
["D12256",16764,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205194","CN1CCN(Cc2ccc(cc2)C(=O)Nc2sc(nc2C(N)=O)-c2ccncc2Cl)CC1","InChI=1S/C22H23ClN6O2S/c1-28-8-10-29(11-9-28)13-14-2-4-15(5-3-14)20(31)27-22-18(19(24)30)26-21(32-22)16-6-7-25-12-17(16)23/h2-7,12H,8-11,13H2,1H3,(H2,24,30)(H,27,31)","SGSXSDRBQOSVBH-UHFFFAOYSA-N",null,640,{"$nulls":4},7.5,"30.00 C"]
["D12257",16557,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205193","CN1CCN(Cc2ccc(cc2)C(=O)Nc2sc(nc2C(N)=O)-c2ccncc2F)CC1","InChI=1S/C22H23FN6O2S/c1-28-8-10-29(11-9-28)13-14-2-4-15(5-3-14)20(31)27-22-18(19(24)30)26-21(32-22)16-6-7-25-12-17(16)23/h2-7,12H,8-11,13H2,1H3,(H2,24,30)(H,27,31)","RFYVLIYJZUYOAT-UHFFFAOYSA-N",null,370,{"$nulls":4},7.5,"30.00 C"]
["D12258",31705,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43520","CN1CCN(Cc2nc3ccccc3c(=O)n2Cc2nc(cs2)-c2ccc3ccccc3c2)CC1","InChI=1S/C28H27N5OS/c1-31-12-14-32(15-13-31)17-26-29-24-9-5-4-8-23(24)28(34)33(26)18-27-30-25(19-35-27)22-11-10-20-6-2-3-7-21(20)16-22/h2-11,16,19H,12-15,17-18H2,1H3","TXEITLTZDCLSIR-UHFFFAOYSA-N",null,9576]
["D12259",31710,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43541","CN1CCN(Cc2nc3ccccc3c(=O)n2Cc2nc(cs2)-c2cccc(c2)[N+]([O-])=O)CC1","InChI=1S/C24H24N6O3S/c1-27-9-11-28(12-10-27)14-22-25-20-8-3-2-7-19(20)24(31)29(22)15-23-26-21(16-34-23)17-5-4-6-18(13-17)30(32)33/h2-8,13,16H,9-12,14-15H2,1H3","QYDBAFXFVZIVGN-UHFFFAOYSA-N",null,10450]
["D12260",31688,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43519","CN1CCN(Cc2nc3ccccc3c(=O)n2Cc2nc(cs2)-c2ccccc2F)CC1","InChI=1S/C24H24FN5OS/c1-28-10-12-29(13-11-28)14-22-26-20-9-5-3-7-18(20)24(31)30(22)15-23-27-21(16-32-23)17-6-2-4-8-19(17)25/h2-9,16H,10-15H2,1H3","FSATXKWIXKHYQV-UHFFFAOYSA-N",null,4239]
["D12261",32024,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67137","CN1CCN(Cc2nc3ccccc3c(=O)n2Cc2nc(cs2)C23CC4CC(CC(C4)C2)C3)CC1","InChI=1S/C28H35N5OS/c1-31-6-8-32(9-7-31)16-25-29-23-5-3-2-4-22(23)27(34)33(25)17-26-30-24(18-35-26)28-13-19-10-20(14-28)12-21(11-19)15-28/h2-5,18-21H,6-17H2,1H3","NRVXAGMEZVPEKH-UHFFFAOYSA-N",null,">55690"]
["D12262",12004,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43135","CN1CCS\\C1=C/C=C1\\SC(=S)N(CC(O)=O)C1=O","InChI=1S/C11H12N2O3S3/c1-12-4-5-18-8(12)3-2-7-10(16)13(6-9(14)15)11(17)19-7/h2-3H,4-6H2,1H3,(H,14,15)/b7-2-,8-3-","AMSAICQWZZDCEM-ZXCOBTLNSA-N",{"$nulls":3},">79370"]
["D12263",25891,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM5655","CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl","InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1","BIIVYFLTOXDAOV-YVEFUNNKSA-N",null,null,">10000"]
["D12264",17317,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278176","CN1CC[C@H](Oc2ccc(Nc3ncnc(n3)-c3ccc(O[C@H]4CCN(C[C@H]4F)C(=O)[C@@H](O)CO)c(c3)C#N)cc2)[C@H](F)C1","InChI=1S/C30H33F2N7O5/c1-38-10-8-26(22(31)14-38)43-21-5-3-20(4-6-21)36-30-35-17-34-28(37-30)18-2-7-25(19(12-18)13-33)44-27-9-11-39(15-23(27)32)29(42)24(41)16-40/h2-7,12,17,22-24,26-27,40-41H,8-11,14-16H2,1H3,(H,34,35,36,37)/t22-,23-,24+,26+,27+/m1/s1","MAGYPARKFHXVPO-IUJPGNIVSA-N",null,3000,{"$nulls":4},7]
["D12265",3849,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66775","CN1CCc2[nH]c3c(C)cccc3c2C1","InChI=1S/C13H16N2/c1-9-4-3-5-10-11-8-15(2)7-6-12(11)14-13(9)10/h3-5,14H,6-8H2,1-2H3","XSHXIKHZZUQAFC-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12266",4236,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM52109","CN1CCc2c(C1)sc1NC(NC(=O)c21)c1ccccn1","InChI=1S/C15H16N4OS/c1-19-7-5-9-11(8-19)21-15-12(9)14(20)17-13(18-15)10-4-2-3-6-16-10/h2-4,6,13,18H,5,7-8H2,1H3,(H,17,20)","CMBLACABHYQMGR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12267",3490,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565020","CN1CCc2c1cccc2C1CCc2c(C1)cnn(-c1ccccn1)c2=O","InChI=1S/C22H22N4O/c1-25-12-10-19-17(5-4-6-20(19)25)15-8-9-18-16(13-15)14-24-26(22(18)27)21-7-2-3-11-23-21/h2-7,11,14-15H,8-10,12-13H2,1H3","NERQXKYNMMVVFM-UHFFFAOYSA-N",null,"<500"]
["D12268",3496,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565029","CN1CCc2c1cccc2C1CCc2c(C1)cnn(-c1ncccn1)c2=O","InChI=1S/C21H21N5O/c1-25-11-8-18-16(4-2-5-19(18)25)14-6-7-17-15(12-14)13-24-26(20(17)27)21-22-9-3-10-23-21/h2-5,9-10,13-14H,6-8,11-12H2,1H3","CTYJJNJFRPXQIH-UHFFFAOYSA-N",null,"<500"]
["D12269",4094,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66983","CN1CCc2cccc(Cl)c2CC1","InChI=1S/C11H14ClN/c1-13-7-5-9-3-2-4-11(12)10(9)6-8-13/h2-4H,5-8H2,1H3","RSRUDTPYRBLHEO-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12270",3708,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50440185","CN1CCc2nc(COc3ccccc3)sc2C1=O","InChI=1S/C14H14N2O2S/c1-16-8-7-11-13(14(16)17)19-12(15-11)9-18-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3","AOOAPFRKSGWOER-UHFFFAOYSA-N",{"$nulls":3},">10000"]
["D12271",15221,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245979","CN1Cc2ccc(Nc3nccc(n3)-c3cnc(N4CC[C@H](F)C4)c(c3)C#N)cc2C1","InChI=1S/C23H22FN7/c1-30-12-15-2-3-20(9-18(15)13-30)28-23-26-6-4-21(29-23)17-8-16(10-25)22(27-11-17)31-7-5-19(24)14-31/h2-4,6,8-9,11,19H,5,7,12-14H2,1H3,(H,26,28,29)/t19-/m0/s1","DHEPJUCPKRJQTP-IBGZPJMESA-N",null,"<15",{"$nulls":4},7.5]
["D12272",32183,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43622","CN1N=C(CCC1=O)C(=O)N1CCc2c([nH]c3ccccc23)C1c1c(F)cccc1Cl","InChI=1S/C23H20ClFN4O2/c1-28-19(30)10-9-18(27-28)23(31)29-12-11-14-13-5-2-3-8-17(13)26-21(14)22(29)20-15(24)6-4-7-16(20)25/h2-8,22,26H,9-12H2,1H3","OWQTUKBVECSRCH-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D12273",15969,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278186","CN1[C@@H](CCC1=O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(N4CCN(CC4)C4COC4)c(F)c3)n2)[C@H](F)C1","InChI=1S/C34H37F2N9O4/c1-42-28(5-7-31(42)46)33(47)45-9-8-30(26(36)17-45)49-29-6-2-21(14-22(29)16-37)32-38-20-39-34(41-32)40-23-3-4-27(25(35)15-23)44-12-10-43(11-13-44)24-18-48-19-24/h2-4,6,14-15,20,24,26,28,30H,5,7-13,17-19H2,1H3,(H,38,39,40,41)/t26-,28+,30+/m1/s1","IENYDWUGJKERTA-BOACMQGQSA-N",null,86]
["D12274",16340,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278185","CN1[C@@H](CCC1=O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C34H38FN9O4/c1-41-28(7-9-31(41)45)33(46)44-11-10-30(27(35)18-44)48-29-8-2-22(16-23(29)17-36)32-37-21-38-34(40-32)39-24-3-5-25(6-4-24)42-12-14-43(15-13-42)26-19-47-20-26/h2-6,8,16,21,26-28,30H,7,9-15,18-20H2,1H3,(H,37,38,39,40)/t27-,28+,30+/m1/s1","VYVCVFYSUHKGHX-UNRZKBSHSA-N",null,165]
["D12275",13519,"6zfo_A",0.4,"Spike glycoprotein","Endochitinase B1","Aspergillus fumigatiaffinis","BDM19237913","CNC(=N)NC(=O)NC","InChI=1S/C4H10N4O/c1-6-3(5)8-4(9)7-2/h1-2H3,(H4,5,6,7,8,9)","KGCIDHJBLPVUNN-UHFFFAOYSA-N",-7337.39843503472,-43543.497319,33555.075942221,{"$nulls":3},6.73722636137143,"37.00 C"]
["D12276",16508,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148127","CNC(=O)C1CCN(CC1)c1ccc(cc1C#N)-c1ccnc(Nc2ccc(NC(C)=O)nc2)n1","InChI=1S/C25H26N8O2/c1-16(34)30-23-6-4-20(15-29-23)31-25-28-10-7-21(32-25)18-3-5-22(19(13-18)14-26)33-11-8-17(9-12-33)24(35)27-2/h3-7,10,13,15,17H,8-9,11-12H2,1-2H3,(H,27,35)(H,28,31,32)(H,29,30,34)","RZYARNXACVQGAH-UHFFFAOYSA-N",null,"<300",{"$nulls":4},7.5]
["D12277",18572,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Oryctolagus cuniculus","BDM50044988","CNC(=O)CCC(=O)O[C@@H]1C(C)CCC2(O)[C@]3(C)CC4(O)OC12C1(O)C3(O)[C@H](OC(=O)c2ccc[nH]2)C(O)(C(C)C)C41C","InChI=1S/C30H42N2O11/c1-15(2)27(38)22(42-21(35)17-8-7-13-32-17)28(39)23(4)14-26(37)24(27,5)30(28,40)29(43-26)20(16(3)11-12-25(23,29)36)41-19(34)10-9-18(33)31-6/h7-8,13,15-16,20,22,32,36-40H,9-12,14H2,1-6H3,(H,31,33)/t16?,20-,22-,23+,24?,25?,26?,27?,28?,29?,30?/m1/s1","RWAKHARTDYCRMC-QYQZIFBLSA-N",null,49]
["D12278",16430,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205206","CNC(=O)CCCCc1ccc(cc1)C(=O)Nc1sc(nc1C(N)=O)-c1ccncc1","InChI=1S/C22H23N5O3S/c1-24-17(28)5-3-2-4-14-6-8-15(9-7-14)20(30)27-22-18(19(23)29)26-21(31-22)16-10-12-25-13-11-16/h6-13H,2-5H2,1H3,(H2,23,29)(H,24,28)(H,27,30)","HCQXSCFIAHRRAF-UHFFFAOYSA-N",null,240,{"$nulls":4},7.5,"30.00 C"]
["D12279",15684,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277819","CNC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C30H35N9O3/c1-32-30(40)39-10-8-26(9-11-39)42-27-7-2-21(16-22(27)17-31)28-33-20-34-29(36-28)35-23-3-5-24(6-4-23)37-12-14-38(15-13-37)25-18-41-19-25/h2-7,16,20,25-26H,8-15,18-19H2,1H3,(H,32,40)(H,33,34,35,36)","WSJCXACNRIYVIO-UHFFFAOYSA-N",null,35]
["D12280",13487,"6zfo_A",0.4,"Spike glycoprotein","Endochitinase B1 [E322A]","Aspergillus fumigatiaffinis","BDM19231672","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s2","UHBHXSDKGLPPGO-HTDHLNIYSA-N",null,null,33534.7722879654,{"$nulls":3},6.73721223747248]
["D12281",13506,"6zfo_A",0.4,"Spike glycoprotein","Endochitinase B1","Aspergillus fumigatiaffinis","BDM19235378","CNC(=O)NC(=N)NCCC[C@H]1CN(C)[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(=O)N[C@H](CC(=O)N[C@H](C)C(=O)N1)C(O)=O)C(O)=O","InChI=1S/C30H45N9O9/c1-17-25(42)35-19(10-7-13-33-29(31)38-30(48)32-2)16-39(3)22(14-18-8-5-4-6-9-18)26(43)37-20(27(44)45)11-12-23(40)36-21(28(46)47)15-24(41)34-17/h4-6,8-9,17,19-22H,7,10-16H2,1-3H3,(H,34,41)(H,35,42)(H,36,40)(H,37,43)(H,44,45)(H,46,47)(H4,31,32,33,38,48)/t17-,19+,20-,21-,22+/m1/s2","DHHVTIQSEZUVAG-BLCKVISQSA-N",-3870.93224665763,-14403.3870135859,33546.8275826796,{"$nulls":3},6.73722062353748,"37.00 C"]
["D12282",13520,"6zfo_A",0.4,"Spike glycoprotein","Endochitinase B1","Aspergillus fumigatiaffinis","BDM19238108","CNC(=O)NC(N)=NC","InChI=1S/C4H10N4O/c1-6-3(5)8-4(9)7-2/h1-2H3,(H4,5,6,7,8,9)","KGCIDHJBLPVUNN-UHFFFAOYSA-N",-7604.04968029452,-45785.0442655699,33555.7104314164,{"$nulls":3},6.73722680274328]
["D12283",13504,"6zfo_A",0.4,"Spike glycoprotein","Endochitinase B1","Aspergillus fumigatiaffinis","BDM19234987","CNC(=O)NC(N)=NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s2","UHBHXSDKGLPPGO-HTDHLNIYSA-N",-3337.62975613803,null,33545.5586042887,{"$nulls":3},6.7372197407938]
["D12284",13511,"6zfo_A",0.4,"Spike glycoprotein","Endochitinase B1","Aspergillus fumigatiaffinis","BDM19236353","CNC(=O)NC(N)=NCCC[C@H](NC(=O)[C@@H](C)NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(O)=O","InChI=1S/C27H40N8O9/c1-15(31-16(2)36)22(39)32-18(11-8-12-30-26(28)34-27(44)29-3)24(41)35(4)20(13-17-9-6-5-7-10-17)23(40)33-19(25(42)43)14-21(37)38/h5-7,9-10,15,18-20H,8,11-14H2,1-4H3,(H,31,36)(H,32,39)(H,33,40)(H,37,38)(H,42,43)(H4,28,29,30,34,44)/t15-,18+,19+,20+/m1/s2","SJHMDURLSNWSOY-TTYHFUOFSA-N",-5204.18847295652,-25611.1217464379,33550.0000286571,{"$nulls":3},6.73722283039669,"37.00 C"]
["D12285",13513,"6zfo_A",0.4,"Spike glycoprotein","Endochitinase B1","Aspergillus fumigatiaffinis","BDM19236743","CNC(=O)NC(N)=NCCC[C@H](NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(O)=O","InChI=1S/C24H35N7O8/c1-14(32)28-16(10-7-11-27-23(25)30-24(39)26-2)21(36)31(3)18(12-15-8-5-4-6-9-15)20(35)29-17(22(37)38)13-19(33)34/h4-6,8-9,16-18H,7,10-13H2,1-3H3,(H,28,32)(H,29,35)(H,33,34)(H,37,38)(H4,25,26,27,30,39)/t16-,17-,18-/m0/s2","UFMHANUUWPWJKF-BZSNNMDCSA-N",-5737.49096347612,-30094.2156395779,33551.269007048,{"$nulls":3},6.73722371314038]
["D12286",13516,"6zfo_A",0.4,"Spike glycoprotein","Endochitinase B1","Aspergillus fumigatiaffinis","BDM19237328","CNC(=O)NC(N)=NCCC[C@H](NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(O)=O","InChI=1S/C20H30N6O5/c1-13(27)24-15(10-7-11-23-19(21)25-20(31)22-2)17(28)26(3)16(18(29)30)12-14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-12H2,1-3H3,(H,24,27)(H,29,30)(H4,21,22,23,25,31)/t15-,16-/m0/s2","NXHZAKRRBAPHDQ-HOTGVXAUSA-N",-6537.44469925543,-36818.856479289,33553.1724746345,{"$nulls":3},6.73722503725591]
["D12287",13517,"6zfo_A",0.4,"Spike glycoprotein","Endochitinase B1","Aspergillus fumigatiaffinis","BDM19237523","CNC(=O)NC(N)=NCCC[C@H](NC(C)=O)C(=O)NC","InChI=1S/C11H22N6O3/c1-7(18)16-8(9(19)13-2)5-4-6-15-10(12)17-11(20)14-3/h8H,4-6H2,1-3H3,(H,13,19)(H,16,18)(H4,12,14,15,17,20)/t8-/m0/s2","IHUKVJKKTBLTEE-QMMMGPOBSA-N",-6804.09594451523,-39060.4034258589,33553.80696383,{"$nulls":3},6.73722547862775]
["D12288",4645,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66587","CNC(=O)Nc1ccc(Cn2cc(ccc2=O)C(F)(F)F)cc1","InChI=1S/C15H14F3N3O2/c1-19-14(23)20-12-5-2-10(3-6-12)8-21-9-11(15(16,17)18)4-7-13(21)22/h2-7,9H,8H2,1H3,(H2,19,20,23)","SJTAVCADXGCQFY-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12289",31841,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46406","CNC(=O)Oc1cccc(c1)-c1cn2cc(Cl)ccc2n1","InChI=1S/C15H12ClN3O2/c1-17-15(20)21-12-4-2-3-10(7-12)13-9-19-8-11(16)5-6-14(19)18-13/h2-9H,1H3,(H,17,20)","KISJVMYBWGOWDW-UHFFFAOYSA-N",null,19890]
["D12290",17622,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148126","CNC(=O)[C@H]1CCCN1c1ccc(cc1C#N)-c1ccnc(Nc2ccc(NC(C)=O)nc2)n1","InChI=1S/C24H24N8O2/c1-15(33)29-22-8-6-18(14-28-22)30-24-27-10-9-19(31-24)16-5-7-20(17(12-16)13-25)32-11-3-4-21(32)23(34)26-2/h5-10,12,14,21H,3-4,11H2,1-2H3,(H,26,34)(H,27,30,31)(H,28,29,33)/t21-/m1/s1","JYXIRRRXLOQEPK-OAQYLSRUSA-N",null,"<9000",{"$nulls":4},7.5]
["D12291",25905,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM27817","CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12","InChI=1S/C27H29FN8O3/c1-29-26(38)23-17(28)6-5-7-18(23)31-25-16-8-10-30-24(16)33-27(34-25)32-19-13-20-15(12-21(19)39-4)9-11-36(20)22(37)14-35(2)3/h5-8,10,12-13H,9,11,14H2,1-4H3,(H,29,38)(H3,30,31,32,33,34)","HZTYDQRUAWIZRE-UHFFFAOYSA-N",null,null,">10000"]
["D12292",17903,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570012","CNC(=O)c1cc(F)cc(c1)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D12293",17908,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570017","CNC(=O)c1cc(F)cc(c1)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(F)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D12294",25874,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM16673","CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1","InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)","MLDQJTXFUGDVEO-UHFFFAOYSA-N",null,null,">10000"]
["D12295",16387,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50448995","CNC(=O)c1cc(cs1)-c1cnc2nc([nH]c2c1)-c1ccc(OC)cc1","InChI=1S/C19H16N4O2S/c1-20-19(24)16-8-13(10-26-16)12-7-15-18(21-9-12)23-17(22-15)11-3-5-14(25-2)6-4-11/h3-10H,1-2H3,(H,20,24)(H,21,22,23)","HDMBYXMYCCLJOL-UHFFFAOYSA-N",null,203]
["D12296",17782,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357916","CNC(=O)c1cc2c(nc1N)oc1ccc(cc1c2=O)C(C)C","InChI=1S/C17H17N3O3/c1-8(2)9-4-5-13-10(6-9)14(21)11-7-12(16(22)19-3)15(18)20-17(11)23-13/h4-8H,1-3H3,(H2,18,20)(H,19,22)","ZECCCYXMTAJBQI-UHFFFAOYSA-N",null,19500]
["D12297",14619,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277792","CNC(=O)c1ccc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cc1","InChI=1S/C23H22N6O3/c1-25-22(30)15-2-5-18(6-3-15)28-23-27-14-26-21(29-23)16-4-7-20(17(12-16)13-24)32-19-8-10-31-11-9-19/h2-7,12,14,19H,8-11H2,1H3,(H,25,30)(H,26,27,28,29)","GWGJYIPISQXQLX-UHFFFAOYSA-N",null,4]
["D12298",14526,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276855","CNC(=O)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C27H24N4O3/c1-29-27(32)18-4-2-17(3-5-18)24-15-23-22(8-11-30-26(23)31-24)19-6-7-25(20(14-19)16-28)34-21-9-12-33-13-10-21/h2-8,11,14-15,21H,9-10,12-13H2,1H3,(H,29,32)(H,30,31)","GNLWUSMRXGCMEL-UHFFFAOYSA-N",null,3.08]
["D12299",31292,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1","Mus musculus","BDBM50556925","CNC(=O)c1ccc(cc1O)N(Cc1ccc(cn1)C1CCCCC1)C(=O)[C@H]1CCN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F","InChI=1S/C30H29F5N4O5S/c1-36-29(41)20-10-9-19(13-22(20)40)38(15-18-8-7-17(14-37-18)16-5-3-2-4-6-16)30(42)21-11-12-39(21)45(43,44)28-26(34)24(32)23(31)25(33)27(28)35/h7-10,13-14,16,21,40H,2-6,11-12,15H2,1H3,(H,36,41)/t21-/m1/s1","WYAWDSRKUQMPMM-OAQYLSRUSA-N",null,">20000"]
["D12300",14914,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276854","CNC(=O)c1cccc(c1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C27H24N4O3/c1-29-27(32)19-4-2-3-18(14-19)24-15-23-22(7-10-30-26(23)31-24)17-5-6-25(20(13-17)16-28)34-21-8-11-33-12-9-21/h2-7,10,13-15,21H,8-9,11-12H2,1H3,(H,29,32)(H,30,31)","IYLJIJFVSGZAIK-UHFFFAOYSA-N",null,7.98]
["D12301",32334,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396704","CNC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1","InChI=1S/C17H18N2O3S/c1-18-17(20)14-7-4-8-16(11-14)23(21,22)19-10-9-13-5-2-3-6-15(13)12-19/h2-8,11H,9-10,12H2,1H3,(H,18,20)","PBBCJGRZQLBCCD-UHFFFAOYSA-N",null,">30000"]
["D12302",25882,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM25117","CNC(=O)c1ccccc1Sc1ccc2c(\\C=C\\c3ccccn3)n[nH]c2c1","InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+","RITAVMQDGBJQJZ-FMIVXFBMSA-N",null,null,">10000"]
["D12303",12291,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87309","CNC(=O)c1cccn(Cc2ccc(cc2)C(F)(F)F)c1=O","InChI=1S/C15H13F3N2O2/c1-19-13(21)12-3-2-8-20(14(12)22)9-10-4-6-11(7-5-10)15(16,17)18/h2-8H,9H2,1H3,(H,19,21)","ZFSIBBBOXHXGKK-UHFFFAOYSA-N",null,">35839"]
["D12304",32017,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67125","CNC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2ccccc12","InChI=1S/C16H12FN3O2/c1-18-15(21)14-12-4-2-3-5-13(12)16(22)20(19-14)11-8-6-10(17)7-9-11/h2-9H,1H3,(H,18,21)","FHHDIJIAMNLKES-UHFFFAOYSA-N",null,">55690"]
["D12305",4693,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66624","CNC(=S)NC1(C)CCS(=O)(=O)C1","InChI=1S/C7H14N2O2S2/c1-7(9-6(12)8-2)3-4-13(10,11)5-7/h3-5H2,1-2H3,(H2,8,9,12)","TXSKUTRNVBWVFW-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12306",4152,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM165","CNC(C)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC1CCCc2ccccc12","InChI=1S/C24H36N4O3/c1-15(2)21(27-22(29)16(3)25-4)24(31)28-14-8-13-20(28)23(30)26-19-12-7-10-17-9-5-6-11-18(17)19/h5-6,9,11,15-16,19-21,25H,7-8,10,12-14H2,1-4H3,(H,26,30)(H,27,29)","POKZVJVCUGVHME-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12307",17045,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153746","CNC1=NC(=O)\\C(S1)=C\\c1ccc2ncccc2c1","InChI=1S/C14H11N3OS/c1-15-14-17-13(18)12(19-14)8-9-4-5-11-10(7-9)3-2-6-16-11/h2-8H,1H3,(H,15,17,18)/b12-8-","OTTNNAIKNUBBIR-WQLSENKSSA-N",null,1600]
["D12308",15820,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM10095","CNCC#Cc1c2\\C(=C\\c3[nH]ccc3OC)C(=O)Nc2ccc1F","InChI=1S/C18H16FN3O2/c1-20-8-3-4-11-13(19)5-6-14-17(11)12(18(23)22-14)10-15-16(24-2)7-9-21-15/h5-7,9-10,20-21H,8H2,1-2H3,(H,22,23)/b12-10-","QMIDZOGAPGBZSC-BENRWUELSA-N",null,52]
["D12309",721,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144319","CNCCCCC(C(O)=O)c1cnc[nH]1","InChI=1S/C10H17N3O2/c1-11-5-3-2-4-8(10(14)15)9-6-12-7-13-9/h6-8,11H,2-5H2,1H3,(H,12,13)(H,14,15)","FKWZRTDRIWYJKY-UHFFFAOYSA-N",null,26000]
["D12310",17068,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM3171","CNCCCn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12","InChI=1S/C25H24N4O2/c1-26-12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-28(2)20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)","AOUNSDICPNJTQM-UHFFFAOYSA-N",null,1960]
["D12311",25865,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM2579","CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13","InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1","HKSZLNNOFSGOKW-FYTWVXJKSA-N",null,null,">10000"]
["D12312",16713,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM10100","CN[C@H](CO)C#Cc1c2\\C(=C\\c3[nH]ccc3OC)C(=O)Nc2ccc1F","InChI=1S/C19H18FN3O3/c1-21-11(10-24)3-4-12-14(20)5-6-15-18(12)13(19(25)23-15)9-16-17(26-2)7-8-22-16/h5-9,11,21-22,24H,10H2,1-2H3,(H,23,25)/b13-9-/t11-/m0/s1","ZSPQUICTVOBVJJ-KWJWQAOWSA-N",null,526]
["D12313",12345,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM50014872","CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc12","InChI=1S/C21H25NO5/c1-22-15-8-6-12-10-18(25-3)20(26-4)21(27-5)19(12)13-7-9-17(24-2)16(23)11-14(13)15/h7,9-11,15,22H,6,8H2,1-5H3/t15-/m0/s1","NNJPGOLRFBJNIW-HNNXBMFYSA-N",null,">35895"]
["D12314",16669,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM375868","CN\\C=C/C(=C\\C=O)/C(=O)N1CCC(COc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)CC1","InChI=1S/C36H41N9O4/c1-38-12-8-27(11-19-46)35(47)45-13-9-26(10-14-45)22-49-33-7-2-28(20-29(33)21-37)34-39-25-40-36(42-34)41-30-3-5-31(6-4-30)43-15-17-44(18-16-43)32-23-48-24-32/h2-8,11-12,19-20,25-26,32,38H,9-10,13-18,22-24H2,1H3,(H,39,40,41,42)/b12-8-,27-11+","KKGAGHDWMGQSIW-AFAWVIBCSA-N",null,452]
["D12315",16240,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379375","CNc1c(Br)cnc2nc([nH]c12)-c1ccc(N)cc1","InChI=1S/C13H12BrN5/c1-16-10-9(14)6-17-13-11(10)18-12(19-13)7-2-4-8(15)5-3-7/h2-6H,15H2,1H3,(H2,16,17,18,19)","NZELJWLQMFWZDX-UHFFFAOYSA-N",null,111]
["D12316",16385,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379381","CNc1c(Br)cnc2nc([nH]c12)-c1ccc(O)cc1","InChI=1S/C13H11BrN4O/c1-15-10-9(14)6-16-13-11(10)17-12(18-13)7-2-4-8(19)5-3-7/h2-6,19H,1H3,(H2,15,16,17,18)","AYIOMPFFUCURGC-UHFFFAOYSA-N",null,201]
["D12317",17018,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379380","CNc1c(Br)cnc2nc([nH]c12)-c1ccc(OC(C)C)cc1","InChI=1S/C16H17BrN4O/c1-9(2)22-11-6-4-10(5-7-11)15-20-14-13(18-3)12(17)8-19-16(14)21-15/h4-9H,1-3H3,(H2,18,19,20,21)","SHXMHZWHWFGKIG-UHFFFAOYSA-N",null,1410]
["D12318",16541,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379383","CNc1c(Br)cnc2nc([nH]c12)-c1ccc(OC)c(OC)c1","InChI=1S/C15H15BrN4O2/c1-17-12-9(16)7-18-15-13(12)19-14(20-15)8-4-5-10(21-2)11(6-8)22-3/h4-7H,1-3H3,(H2,17,18,19,20)","JCEOTSGAIZXXKN-UHFFFAOYSA-N",null,345]
["D12319",16535,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379378","CNc1c(Br)cnc2nc([nH]c12)-c1ccc(OC)cc1","InChI=1S/C14H13BrN4O/c1-16-11-10(15)7-17-14-12(11)18-13(19-14)8-3-5-9(20-2)6-4-8/h3-7H,1-2H3,(H2,16,17,18,19)","UMRHQLYGORMCIS-UHFFFAOYSA-N",null,335]
["D12320",16424,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379340","CNc1c(Br)cnc2nc([nH]c12)-c1ccc(OCCCN2CCOCC2)cc1","InChI=1S/C20H24BrN5O2/c1-22-17-16(21)13-23-20-18(17)24-19(25-20)14-3-5-15(6-4-14)28-10-2-7-26-8-11-27-12-9-26/h3-6,13H,2,7-12H2,1H3,(H2,22,23,24,25)","WSBFFVQWZREUMG-UHFFFAOYSA-N",null,233]
["D12321",16314,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379369","CNc1c(Br)cnc2nc([nH]c12)-c1ccc(OCCN2CCCCC2)cc1","InChI=1S/C20H24BrN5O/c1-22-17-16(21)13-23-20-18(17)24-19(25-20)14-5-7-15(8-6-14)27-12-11-26-9-3-2-4-10-26/h5-8,13H,2-4,9-12H2,1H3,(H2,22,23,24,25)","FEPKNBFNXRIIAB-UHFFFAOYSA-N",null,151]
["D12322",16231,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379342","CNc1c(Br)cnc2nc([nH]c12)-c1ccc(OCCN2CCN(C)CC2)cc1","InChI=1S/C20H25BrN6O/c1-22-17-16(21)13-23-20-18(17)24-19(25-20)14-3-5-15(6-4-14)28-12-11-27-9-7-26(2)8-10-27/h3-6,13H,7-12H2,1-2H3,(H2,22,23,24,25)","BFGUPTUEOURPQN-UHFFFAOYSA-N",null,106]
["D12323",16352,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379341","CNc1c(Br)cnc2nc([nH]c12)-c1ccc(OCCN2CCOCC2)cc1","InChI=1S/C19H22BrN5O2/c1-21-16-15(20)12-22-19-17(16)23-18(24-19)13-2-4-14(5-3-13)27-11-8-25-6-9-26-10-7-25/h2-5,12H,6-11H2,1H3,(H2,21,22,23,24)","RGFQESUIRAABIE-UHFFFAOYSA-N",null,178]
["D12324",16374,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379343","CNc1c(Br)cnc2nc([nH]c12)-c1ccc(cc1)C(=O)NCCN1CCN(C)CC1","InChI=1S/C21H26BrN7O/c1-23-17-16(22)13-25-20-18(17)26-19(27-20)14-3-5-15(6-4-14)21(30)24-7-8-29-11-9-28(2)10-12-29/h3-6,13H,7-12H2,1-2H3,(H,24,30)(H2,23,25,26,27)","FUIFXIHDSHGQPX-UHFFFAOYSA-N",null,196]
["D12325",16449,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379372","CNc1c(Br)cnc2nc([nH]c12)-c1ccc(cc1)C(O)=O","InChI=1S/C14H11BrN4O2/c1-16-10-9(15)6-17-13-11(10)18-12(19-13)7-2-4-8(5-3-7)14(20)21/h2-6H,1H3,(H,20,21)(H2,16,17,18,19)","ZNBXHMDTLSAOFO-UHFFFAOYSA-N",null,257]
["D12326",16572,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379338","CNc1c(Br)cnc2nc([nH]c12)-c1ccc(cc1)N1CCCC1","InChI=1S/C17H18BrN5/c1-19-14-13(18)10-20-17-15(14)21-16(22-17)11-4-6-12(7-5-11)23-8-2-3-9-23/h4-7,10H,2-3,8-9H2,1H3,(H2,19,20,21,22)","KZMRGZYTDOGXKO-UHFFFAOYSA-N",null,388]
["D12327",16398,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379384","CNc1c(Br)cnc2nc([nH]c12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C17H18BrN5O/c1-19-14-13(18)10-20-17-15(14)21-16(22-17)11-2-4-12(5-3-11)23-6-8-24-9-7-23/h2-5,10H,6-9H2,1H3,(H2,19,20,21,22)","SCRGZHVPJJQKLF-UHFFFAOYSA-N",null,213]
["D12328",16416,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379382","CNc1c(Br)cnc2nc([nH]c12)-c1ccc(cc1)S(C)(=O)=O","InChI=1S/C14H13BrN4O2S/c1-16-11-10(15)7-17-14-12(11)18-13(19-14)8-3-5-9(6-4-8)22(2,20)21/h3-7H,1-2H3,(H2,16,17,18,19)","JWPPHAQXCHYGAE-UHFFFAOYSA-N",null,229]
["D12329",16483,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379345","CNc1c(Br)cnc2nc([nH]c12)-c1ccc2n[nH]cc2c1","InChI=1S/C14H11BrN6/c1-16-11-9(15)6-17-14-12(11)19-13(20-14)7-2-3-10-8(4-7)5-18-21-10/h2-6H,1H3,(H,18,21)(H2,16,17,19,20)","PWWKDIFQICRXDB-UHFFFAOYSA-N",null,288]
["D12330",15896,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379374","CNc1c(Br)cnc2nc([nH]c12)-c1cccc(N)c1","InChI=1S/C13H12BrN5/c1-16-10-9(14)6-17-13-11(10)18-12(19-13)7-3-2-4-8(15)5-7/h2-6H,15H2,1H3,(H2,16,17,18,19)","JOPQBRQUFRAGQH-UHFFFAOYSA-N",null,65]
["D12331",17631,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379373","CNc1c(Br)cnc2nc([nH]c12)-c1cccc(c1)S(C)(=O)=O","InChI=1S/C14H13BrN4O2S/c1-16-11-10(15)7-17-14-12(11)18-13(19-14)8-4-3-5-9(6-8)22(2,20)21/h3-7H,1-2H3,(H2,16,17,18,19)","NMEDVSWWBXEVFM-UHFFFAOYSA-N",null,9550]
["D12332",15987,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379376","CNc1c(Br)cnc2nc([nH]c12)-c1ccnc(N)c1","InChI=1S/C12H11BrN6/c1-15-9-7(13)5-17-12-10(9)18-11(19-12)6-2-3-16-8(14)4-6/h2-5H,1H3,(H2,14,16)(H2,15,17,18,19)","YOUNKSLLTJRACV-UHFFFAOYSA-N",null,93]
["D12333",17034,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379346","CNc1c(Br)cnc2nc([nH]c12)-c1cnn(C)c1","InChI=1S/C11H11BrN6/c1-13-8-7(12)4-14-11-9(8)16-10(17-11)6-3-15-18(2)5-6/h3-5H,1-2H3,(H2,13,14,16,17)","CLBQXIZOZFIPRS-UHFFFAOYSA-N",null,1520]
["D12334",16370,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379344","CNc1c(Br)cnc2nc([nH]c12)-c1cnn(c1)C1CCN(C)CC1","InChI=1S/C16H20BrN7/c1-18-13-12(17)8-19-16-14(13)21-15(22-16)10-7-20-24(9-10)11-3-5-23(2)6-4-11/h7-9,11H,3-6H2,1-2H3,(H2,18,19,21,22)","MERPPDGMBNDZGS-UHFFFAOYSA-N",null,192]
["D12335",16566,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379348","CNc1c(Cl)cnc2nc([nH]c12)-c1ccc(OCCN2CCOCC2)cc1","InChI=1S/C19H22ClN5O2/c1-21-16-15(20)12-22-19-17(16)23-18(24-19)13-2-4-14(5-3-13)27-11-8-25-6-9-26-10-7-25/h2-5,12H,6-11H2,1H3,(H2,21,22,23,24)","LUAFLHQGGFUREA-UHFFFAOYSA-N",null,383]
["D12336",17057,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50448991","CNc1c(cnc2nc([nH]c12)-c1ccc(OC)cc1)-c1ccc(cc1)C(O)=O","InChI=1S/C21H18N4O3/c1-22-17-16(12-3-5-14(6-4-12)21(26)27)11-23-20-18(17)24-19(25-20)13-7-9-15(28-2)10-8-13/h3-11H,1-2H3,(H,26,27)(H2,22,23,24,25)","GHLLIWFJENEFSB-UHFFFAOYSA-N",null,1800]
["D12337",16966,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50448990","CNc1c(cnc2nc([nH]c12)-c1ccc(OC)cc1)-c1ccc(s1)C(O)=O","InChI=1S/C19H16N4O3S/c1-20-15-12(13-7-8-14(27-13)19(24)25)9-21-18-16(15)22-17(23-18)10-3-5-11(26-2)6-4-10/h3-9H,1-2H3,(H,24,25)(H2,20,21,22,23)","AQZDJGNYTIPSIH-UHFFFAOYSA-N",null,1040]
["D12338",16599,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379387","CNc1c(cnc2nc([nH]c12)-c1ccc(OCCN2CCCCC2)cc1)C#N","InChI=1S/C21H24N6O/c1-23-18-16(13-22)14-24-21-19(18)25-20(26-21)15-5-7-17(8-6-15)28-12-11-27-9-3-2-4-10-27/h5-8,14H,2-4,9-12H2,1H3,(H2,23,24,25,26)","XTLQSYDWFZFRGT-UHFFFAOYSA-N",null,426]
["D12339",16336,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379347","CNc1c(cnc2nc([nH]c12)-c1ccc(OCCN2CCOCC2)cc1)C(N)=O","InChI=1S/C20H24N6O3/c1-22-16-15(18(21)27)12-23-20-17(16)24-19(25-20)13-2-4-14(5-3-13)29-11-8-26-6-9-28-10-7-26/h2-5,12H,6-11H2,1H3,(H2,21,27)(H2,22,23,24,25)","OIBHGJXXSZPVAQ-UHFFFAOYSA-N",null,162]
["D12340",14759,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478801","CNc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C26H29N9O/c1-27-23-14-21(29-16-30-23)19-4-5-20-22(13-19)32-26(31-20)33-24-12-17(6-7-28-24)15-34-8-10-35(11-9-34)25(36)18-2-3-18/h4-7,12-14,16,18H,2-3,8-11,15H2,1H3,(H,27,29,30)(H2,28,31,32,33)","JEPBLEAVWMIVHP-UHFFFAOYSA-N",null,5.4]
["D12341",15050,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50520152","CNc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C25H26F3N9O/c1-29-21-12-19(31-15-32-21)17-2-3-18-20(11-17)34-24(33-18)35-22-10-16(4-5-30-22)14-36-6-8-37(9-7-36)23(38)13-25(26,27)28/h2-5,10-12,15H,6-9,13-14H2,1H3,(H,29,31,32)(H2,30,33,34,35)","XJXPKTHMXWGQPH-UHFFFAOYSA-N",null,9.6]
["D12342",15259,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478799","CNc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C27H33N9O2/c1-27(2,3)38-26(37)36-11-9-35(10-12-36)16-18-7-8-29-24(13-18)34-25-32-20-6-5-19(14-22(20)33-25)21-15-23(28-4)31-17-30-21/h5-8,13-15,17H,9-12,16H2,1-4H3,(H,28,30,31)(H2,29,32,33,34)","GLXTWWPGOYCNLD-UHFFFAOYSA-N",null,15]
["D12343",704,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144318","CNc1ccc(CC(C(O)=O)c2cnc[nH]2)cn1","InChI=1S/C12H14N4O2/c1-13-11-3-2-8(5-15-11)4-9(12(17)18)10-6-14-7-16-10/h2-3,5-7,9H,4H2,1H3,(H,13,15)(H,14,16)(H,17,18)","BOHWPWFPCZGWLB-UHFFFAOYSA-N",null,13000]
["D12344",32111,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46404","CNc1ccccc1C(C)(C)c1cc(no1)-c1ccc(F)cc1","InChI=1S/C19H19FN2O/c1-19(2,15-6-4-5-7-16(15)21-3)18-12-17(22-23-18)13-8-10-14(20)11-9-13/h4-12,21H,1-3H3","RGXQSTAXYTZFAH-UHFFFAOYSA-N",null,">55700"]
["D12345",17683,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379349","CNc1ccnc2nc([nH]c12)-c1ccc(OCCN2CCOCC2)cc1","InChI=1S/C19H23N5O2/c1-20-16-6-7-21-19-17(16)22-18(23-19)14-2-4-15(5-3-14)26-13-10-24-8-11-25-12-9-24/h2-7H,8-13H2,1H3,(H2,20,21,22,23)","AYZDPOMQBWHYHE-UHFFFAOYSA-N",null,12000]
["D12346",14416,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50341519","CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1","InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1","CMOPUHDFFUAOMA-NRFANRHFSA-N",">1000"]
["D12347",16037,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246023","CNc1ncc(cc1C#N)-c1ccnc(Nc2ccc(NC3CCN(C)CC3)nc2)n1","InChI=1S/C22H25N9/c1-24-21-15(12-23)11-16(13-27-21)19-5-8-25-22(30-19)29-18-3-4-20(26-14-18)28-17-6-9-31(2)10-7-17/h3-5,8,11,13-14,17H,6-7,9-10H2,1-2H3,(H,24,27)(H,26,28)(H,25,29,30)","NJEDMUVUHDHHJU-UHFFFAOYSA-N",null,"<100",{"$nulls":4},7.5]
["D12348",3595,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50278924","CNc1ncc(cn1)C#Cc1ccccc1","InChI=1S/C13H11N3/c1-14-13-15-9-12(10-16-13)8-7-11-5-3-2-4-6-11/h2-6,9-10H,1H3,(H,14,15,16)","QYULUNXYZOOROK-UHFFFAOYSA-N",null,">10000"]
["D12349",18509,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50014747","COC(=O)C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(C)=O","InChI=1S/C20H30N4O7/c1-11(16(26)20(30)31-4)21-18(28)15-8-6-10-24(15)19(29)12(2)22-17(27)14-7-5-9-23(14)13(3)25/h11-12,14-15H,5-10H2,1-4H3,(H,21,28)(H,22,27)/t11-,12-,14-,15-/m0/s1","BJBWAJBJZYBYIT-JURCDPSOSA-N",29]
["D12350",3860,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66785","COC(=O)C(C)Oc1cc(OC(C)C(=O)OC)c2c(cc(=O)oc2c1)-c1ccccc1","InChI=1S/C23H22O8/c1-13(22(25)27-3)29-16-10-18(30-14(2)23(26)28-4)21-17(15-8-6-5-7-9-15)12-20(24)31-19(21)11-16/h5-14H,1-4H3","CUFBSIXIFWUXGC-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12351",3848,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66774","COC(=O)C(CO)Nc1ncnc2onc(-c3ccc(F)cc3)c12","InChI=1S/C15H13FN4O4/c1-23-15(22)10(6-21)19-13-11-12(8-2-4-9(16)5-3-8)20-24-14(11)18-7-17-13/h2-5,7,10,21H,6H2,1H3,(H,17,18,19)","LBHAUOPGSMGKAB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12352",3878,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66800","COC(=O)C(Cc1ccccc1)OS(N)(=O)=O","InChI=1S/C10H13NO5S/c1-15-10(12)9(16-17(11,13)14)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H2,11,13,14)","RZQWPOFJUHVYCR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12353",31763,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43565","COC(=O)C(NC=O)C(O)(Cc1ccccc1)C(F)(F)F","InChI=1S/C13H14F3NO4/c1-21-11(19)10(17-8-18)12(20,13(14,15)16)7-9-5-3-2-4-6-9/h2-6,8,10,20H,7H2,1H3,(H,17,18)","ABMFGIMJEWDYRN-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D12354",513,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326368","COC(=O)C1(CC1CC(C)CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(C)cc1","InChI=1S/C29H41N3O6/c1-19-10-12-22(13-11-19)31-17-23(30-18-31)29(24(33)36-9)15-21(29)14-20(2)16-32(25(34)37-27(3,4)5)26(35)38-28(6,7)8/h10-13,17-18,20-21H,14-16H2,1-9H3","WUABPXZRIPMTOY-UHFFFAOYSA-N",null,39]
["D12355",13719,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B3","Homo sapiens","BDM19276920","COC(=O)C1(CC1CC(C)CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(C)cc2","InChI=1S/C29H41N3O6/c1-19-10-12-22(13-11-19)31-17-23(30-18-31)29(24(33)36-9)15-21(29)14-20(2)16-32(25(34)37-27(3,4)5)26(35)38-28(6,7)8/h10-13,17-18,20-21H,14-16H2,1-9H4","WUABPXZRIPMTOY-UHFFFAOYSA-N",-17572.0279113394,70.0952492675335,33681.9737813181,{"$nulls":3},6.73731463573992]
["D12356",635,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326369","COC(=O)C1(CC1CC(C)CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(cc1)S(C)(=O)=O","InChI=1S/C29H41N3O8S/c1-19(16-32(25(34)39-27(2,3)4)26(35)40-28(5,6)7)14-20-15-29(20,24(33)38-8)23-17-31(18-30-23)21-10-12-22(13-11-21)41(9,36)37/h10-13,17-20H,14-16H2,1-9H3","GENODDLVKDNANN-UHFFFAOYSA-N",null,930]
["D12357",503,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326367","COC(=O)C1(CC1CC(C)CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccccc1","InChI=1S/C28H39N3O6/c1-19(16-31(24(33)36-26(2,3)4)25(34)37-27(5,6)7)14-20-15-28(20,23(32)35-8)22-17-30(18-29-22)21-12-10-9-11-13-21/h9-13,17-20H,14-16H2,1-8H3","LUBPGZAVMNOCDD-UHFFFAOYSA-N",null,35]
["D12358",13709,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19274970","COC(=O)C1(CC1CC(C)CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccccc2","InChI=1S/C28H39N3O6/c1-19(16-31(24(33)36-26(2,3)4)25(34)37-27(5,6)7)14-20-15-28(20,23(32)35-8)22-17-30(18-29-22)21-12-10-9-11-13-21/h9-13,17-20H,14-16H2,1-8H4","LUBPGZAVMNOCDD-UHFFFAOYSA-N",-16550.4240750498,67.284960973265,33675.6288893633,{"$nulls":3},6.7373102220215]
["D12359",554,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326349","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(\\C=C\\c2ccccc2)cn1","InChI=1S/C29H39N3O6/c1-27(2,3)37-25(34)32(26(35)38-28(4,5)6)16-11-14-22-18-29(22,24(33)36-7)23-19-31(20-30-23)17-15-21-12-9-8-10-13-21/h8-10,12-13,15,17,19-20,22H,11,14,16,18H2,1-7H3/b17-15+","RFSLRCSKCVQREA-BMRADRMJSA-N",null,99]
["D12360",13760,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19284917","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(\\C=C\\c2ccccc2)cn2","InChI=1S/C29H39N3O6/c1-27(2,3)37-25(34)32(26(35)38-28(4,5)6)16-11-14-22-18-29(22,24(33)36-7)23-19-31(20-30-23)17-15-21-12-9-8-10-13-21/h8-10,12-13,15,17,19-20,22H,11,14,16,18H2,1-7H3/b17-15+","RFSLRCSKCVQREA-BMRADRMJSA-N",-21760.6036401265,146.375375375375,33707.9878383331,{"$nulls":3},6.73733273198546]
["D12361",520,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326345","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(C)c(C)c1","InChI=1S/C29H41N3O6/c1-19-12-13-22(15-20(19)2)31-17-23(30-18-31)29(24(33)36-9)16-21(29)11-10-14-32(25(34)37-27(3,4)5)26(35)38-28(6,7)8/h12-13,15,17-18,21H,10-11,14,16H2,1-9H3","MBUJRUXYFIOFLK-UHFFFAOYSA-N",null,42]
["D12362",13726,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B3","Homo sapiens","BDM19278285","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(C)c(C)c2","InChI=1S/C29H41N3O6/c1-19-12-13-22(15-20(19)2)31-17-23(30-18-31)29(24(33)36-9)16-21(29)11-10-14-32(25(34)37-27(3,4)5)26(35)38-28(6,7)8/h12-13,15,17-18,21H,10-11,14,16H2,1-9H4","MBUJRUXYFIOFLK-UHFFFAOYSA-N",-18287.150596742,94.4126984126984,33686.4152056865,{"$nulls":3},6.73731772534282]
["D12363",458,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326342","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(C)cc1","InChI=1S/C28H39N3O6/c1-19-11-13-21(14-12-19)30-17-22(29-18-30)28(23(32)35-8)16-20(28)10-9-15-31(24(33)36-26(2,3)4)25(34)37-27(5,6)7/h11-14,17-18,20H,9-10,15-16H2,1-8H3","DQTFKEIZUTYKSB-UHFFFAOYSA-N",null,16]
["D12364",13664,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19266193","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(C)cc2","InChI=1S/C28H39N3O6/c1-19-11-13-21(14-12-19)30-17-22(29-18-30)28(23(32)35-8)16-20(28)10-9-15-31(24(33)36-26(2,3)4)25(34)37-27(5,6)7/h11-14,17-18,20H,9-10,15-16H2,1-8H4","DQTFKEIZUTYKSB-UHFFFAOYSA-N",-11953.2068117469,54.638663649057,33647.0768755664,{"$nulls":3},6.73729036028859]
["D12365",537,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326352","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(F)c(F)c1","InChI=1S/C27H35F2N3O6/c1-25(2,3)37-23(34)32(24(35)38-26(4,5)6)12-8-9-17-14-27(17,22(33)36-7)21-15-31(16-30-21)18-10-11-19(28)20(29)13-18/h10-11,13,15-17H,8-9,12,14H2,1-7H3","UZMGUAFNSMLASL-UHFFFAOYSA-N",null,61]
["D12366",13743,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19281601","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(F)c(F)c2","InChI=1S/C27H35F2N3O6/c1-25(2,3)37-23(34)32(24(35)38-26(4,5)6)12-8-9-17-14-27(17,22(33)36-7)21-15-31(16-30-21)18-10-11-19(28)20(29)13-18/h10-11,13,15-17H,8-9,12,14H2,1-7H4","UZMGUAFNSMLASL-UHFFFAOYSA-N",-20023.8771184343,120.394036894037,33697.2015220098,{"$nulls":3},6.73732522866414]
["D12367",473,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326350","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(F)cc1","InChI=1S/C27H36FN3O6/c1-25(2,3)36-23(33)31(24(34)37-26(4,5)6)14-8-9-18-15-27(18,22(32)35-7)21-16-30(17-29-21)20-12-10-19(28)11-13-20/h10-13,16-18H,8-9,14-15H2,1-7H3","MBMPZGJMHDYWBV-UHFFFAOYSA-N",null,21]
["D12368",13679,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19269119","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(F)cc2","InChI=1S/C27H36FN3O6/c1-25(2,3)36-23(33)31(24(34)37-26(4,5)6)14-8-9-18-15-27(18,22(32)35-7)21-16-30(17-29-21)20-12-10-19(28)11-13-20/h10-13,16-18H,8-9,14-15H2,1-7H4","MBMPZGJMHDYWBV-UHFFFAOYSA-N",-13485.6125661812,58.8540960904597,33656.5942134987,{"$nulls":3},6.73729698086622]
["D12369",508,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326347","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(OC)cc1","InChI=1S/C28H39N3O7/c1-26(2,3)37-24(33)31(25(34)38-27(4,5)6)15-9-10-19-16-28(19,23(32)36-8)22-17-30(18-29-22)20-11-13-21(35-7)14-12-20/h11-14,17-19H,9-10,15-16H2,1-8H3","SLLSMVYOQQRTFQ-UHFFFAOYSA-N",null,36]
["D12370",13714,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19275945","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(OC)cc2","InChI=1S/C28H39N3O7/c1-26(2,3)37-24(33)31(25(34)38-27(4,5)6)15-9-10-19-16-28(19,23(32)36-8)22-17-30(18-29-22)20-11-13-21(35-7)14-12-20/h11-14,17-19H,9-10,15-16H2,1-8H4","SLLSMVYOQQRTFQ-UHFFFAOYSA-N",-17061.2259931946,68.6901051203992,33678.8013353407,{"$nulls":3},6.73731242888071]
["D12371",526,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326351","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(Oc2ccccc2)cc1","InChI=1S/C33H41N3O7/c1-31(2,3)42-29(38)36(30(39)43-32(4,5)6)19-11-12-23-20-33(23,28(37)40-7)27-21-35(22-34-27)24-15-17-26(18-16-24)41-25-13-9-8-10-14-25/h8-10,13-18,21-23H,11-12,19-20H2,1-7H3","IZYLTBGVWKUOEO-UHFFFAOYSA-N",null,52]
["D12372",13732,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B3","Homo sapiens","BDM19279456","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(Oc2ccccc2)cc2","InChI=1S/C33H41N3O7/c1-31(2,3)42-29(38)36(30(39)43-32(4,5)6)19-11-12-23-20-33(23,28(37)40-7)27-21-35(22-34-27)24-15-17-26(18-16-24)41-25-13-9-8-10-14-25/h8-10,13-18,21-23H,11-12,19-20H2,1-7H4","IZYLTBGVWKUOEO-UHFFFAOYSA-N",-18900.1128985158,103.582582582583,33690.2221408595,{"$nulls":3},6.73732037357387]
["D12373",580,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326348","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc(cc1)C(F)(F)F","InChI=1S/C28H36F3N3O6/c1-25(2,3)39-23(36)34(24(37)40-26(4,5)6)14-8-9-19-15-27(19,22(35)38-7)21-16-33(17-32-21)20-12-10-18(11-13-20)28(29,30)31/h10-13,16-17,19H,8-9,14-15H2,1-7H3","LNIIFDBADSSEJA-UHFFFAOYSA-N",null,140]
["D12374",486,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326378","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc2occc2c1","InChI=1S/C29H37N3O7/c1-27(2,3)38-25(34)32(26(35)39-28(4,5)6)13-8-9-20-16-29(20,24(33)36-7)23-17-31(18-30-23)21-10-11-22-19(15-21)12-14-37-22/h10-12,14-15,17-18,20H,8-9,13,16H2,1-7H3","HWWBGIAPNXCOMA-UHFFFAOYSA-N",null,26]
["D12375",13692,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19271654","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccc2occc2c2","InChI=1S/C29H37N3O7/c1-27(2,3)38-25(34)32(26(35)39-28(4,5)6)13-8-9-20-16-29(20,24(33)36-7)23-17-31(18-30-23)21-10-11-22-19(15-21)12-14-37-22/h10-12,14-15,17-18,20H,8-9,13,16H2,1-7H4","HWWBGIAPNXCOMA-UHFFFAOYSA-N",-14813.6975533576,62.5074708730086,33664.84257304,{"$nulls":3},6.73730271870017]
["D12376",509,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326343","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1cccc(C)c1","InChI=1S/C28H39N3O6/c1-19-11-9-13-21(15-19)30-17-22(29-18-30)28(23(32)35-8)16-20(28)12-10-14-31(24(33)36-26(2,3)4)25(34)37-27(5,6)7/h9,11,13,15,17-18,20H,10,12,14,16H2,1-8H3","JKNYRAZXPDRPMD-UHFFFAOYSA-N",null,37]
["D12377",13715,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19276140","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1cccc(C)c2","InChI=1S/C28H39N3O6/c1-19-11-9-13-21(15-19)30-17-22(29-18-30)28(23(32)35-8)16-20(28)12-10-14-31(24(33)36-26(2,3)4)25(34)37-27(5,6)7/h9,11,13,15,17-18,20H,10,12,14,16H2,1-8H4","JKNYRAZXPDRPMD-UHFFFAOYSA-N",-17163.3863768236,68.9711339498261,33679.4358245362,{"$nulls":3},6.73731287025255]
["D12378",490,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326341","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccccc1","InChI=1S/C27H37N3O6/c1-25(2,3)35-23(32)30(24(33)36-26(4,5)6)15-11-12-19-16-27(19,22(31)34-7)21-17-29(18-28-21)20-13-9-8-10-14-20/h8-10,13-14,17-19H,11-12,15-16H2,1-7H3","UJVDFWJVJPJVJK-UHFFFAOYSA-N",null,27]
["D12379",599,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326344","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccccc1C","InChI=1S/C28H39N3O6/c1-19-12-9-10-14-21(19)30-17-22(29-18-30)28(23(32)35-8)16-20(28)13-11-15-31(24(33)36-26(2,3)4)25(34)37-27(5,6)7/h9-10,12,14,17-18,20H,11,13,15-16H2,1-8H3","YRWIXHBNWHSNHU-UHFFFAOYSA-N",null,">300"]
["D12380",13696,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19272434","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccccc2","InChI=1S/C27H37N3O6/c1-25(2,3)35-23(32)30(24(33)36-26(4,5)6)15-11-12-19-16-27(19,22(31)34-7)21-17-29(18-28-21)20-13-9-8-10-14-20/h8-10,13-14,17-19H,11-12,15-16H2,1-7H4","UJVDFWJVJPJVJK-UHFFFAOYSA-N",-15222.3390878734,63.631586190716,33667.380529822,{"$nulls":3},6.73730448418755]
["D12381",562,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326372","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1cccs1","InChI=1S/C25H35N3O6S/c1-23(2,3)33-21(30)28(22(31)34-24(4,5)6)12-8-10-17-14-25(17,20(29)32-7)18-15-27(16-26-18)19-11-9-13-35-19/h9,11,13,15-17H,8,10,12,14H2,1-7H3","YUTZPEWUFUNCCP-UHFFFAOYSA-N",null,100]
["D12382",13768,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B3","Homo sapiens","BDM19286477","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1cccs2","InChI=1S/C25H35N3O6S/c1-23(2,3)33-21(30)28(22(31)34-24(4,5)6)12-8-10-17-14-25(17,20(29)32-7)18-15-27(16-26-18)19-11-9-13-35-19/h9,11,13,15-17H,8,10,12,14H2,1-7H4","YUTZPEWUFUNCCP-UHFFFAOYSA-N",-22577.8867091581,243.709340919867,33713.063751897,{"$nulls":3},6.7373362629602]
["D12383",535,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326373","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1nccs1","InChI=1S/C24H34N4O6S/c1-22(2,3)33-20(30)28(21(31)34-23(4,5)6)11-8-9-16-13-24(16,18(29)32-7)17-14-27(15-26-17)19-25-10-12-35-19/h10,12,14-16H,8-9,11,13H2,1-7H3","GIGUTGHDSMNTJU-UHFFFAOYSA-N",null,58]
["D12384",13741,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19281211","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1nccs2","InChI=1S/C24H34N4O6S/c1-22(2,3)33-20(30)28(21(31)34-23(4,5)6)11-8-9-16-13-24(16,18(29)32-7)17-14-27(15-26-17)19-25-10-12-35-19/h10,12,14-16H,8-9,11,13H2,1-7H4","GIGUTGHDSMNTJU-UHFFFAOYSA-N",-19819.5563511763,117.337408837409,33695.9325436188,{"$nulls":3},6.73732434592045]
["D12385",492,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326339","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)C1CCCCC1","InChI=1S/C27H43N3O6/c1-25(2,3)35-23(32)30(24(33)36-26(4,5)6)15-11-12-19-16-27(19,22(31)34-7)21-17-29(18-28-21)20-13-9-8-10-14-20/h17-20H,8-16H2,1-7H3","QEDCJYLUJWBGTA-UHFFFAOYSA-N",null,29]
["D12386",13698,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19272824","COC(=O)C1(CC1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)C1CCCCC2","InChI=1S/C27H43N3O6/c1-25(2,3)35-23(32)30(24(33)36-26(4,5)6)15-11-12-19-16-27(19,22(31)34-7)21-17-29(18-28-21)20-13-9-8-10-14-20/h17-20H,8-16H2,1-7H4","QEDCJYLUJWBGTA-UHFFFAOYSA-N",-15426.6598551313,64.1936438495697,33668.6495082129,{"$nulls":3},6.73730536693123]
["D12387",3910,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM61584","COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@H]1c1ccccc1","InChI=1S/C30H33N3O5/c1-20-26(29(34)38-5)27(23-14-10-7-11-15-23)32-30(33(20)19-21-12-8-6-9-13-21)31-18-22-16-24(35-2)28(37-4)25(17-22)36-3/h6-17,27H,18-19H2,1-5H3,(H,31,32)/t27-/m0/s1","RKMHHHQISOYKIS-MHZLTWQESA-N",{"$nulls":3},">350000"]
["D12388",4132,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67018","COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)N1CCC(O)CC1)c1ccc(F)cc1F","InChI=1S/C21H24F2N2O4/c1-29-20(27)19-16(15-4-2-12(22)10-17(15)23)11-13-3-5-18(19)25(13)21(28)24-8-6-14(26)7-9-24/h2,4,10,13-14,18,26H,3,5-9,11H2,1H3/t13-,18+/m0/s1","UYEXDWQDMHWJTF-SCLBCKFNSA-N",{"$nulls":3},">350000"]
["D12389",31824,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43530","COC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C1c1cccs1)C(=O)OC","InChI=1S/C22H23NO6S/c1-26-17-8-7-14(10-18(17)27-2)11-23-12-15(21(24)28-3)20(19-6-5-9-30-19)16(13-23)22(25)29-4/h5-10,12-13,20H,11H2,1-4H3","ABELRIIRVNKAGM-UHFFFAOYSA-N",null,16820]
["D12390",4638,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66583","COC(=O)C1CSC(N1C(=O)c1ccccc1)c1ccc(Cl)cc1","InChI=1S/C18H16ClNO3S/c1-23-18(22)15-11-24-17(13-7-9-14(19)10-8-13)20(15)16(21)12-5-3-2-4-6-12/h2-10,15,17H,11H2,1H3","GNDPXWULPZLZEP-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12391",4646,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66588","COC(=O)C1SCC2N1C(=O)CN(Cc1ccc(Cl)cc1)C2=O","InChI=1S/C15H15ClN2O4S/c1-22-15(21)14-18-11(8-23-14)13(20)17(7-12(18)19)6-9-2-4-10(16)5-3-9/h2-5,11,14H,6-8H2,1H3","AIYOKMAJJCJQGW-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12392",18537,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50228232","COC(=O)CCC(=O)C(C)NC(=O)c1ccccc1","InChI=1S/C14H17NO4/c1-10(12(16)8-9-13(17)19-2)15-14(18)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,18)","REOSFPXLLQWIBZ-UHFFFAOYSA-N",4200000]
["D12393",18508,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50014738","COC(=O)CCC(=O)NCCCC[C@H](NS(=O)(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F","InChI=1S/C32H49F3N4O8S/c1-19(2)27(28(42)32(33,34)35)37-29(43)24-8-6-12-39(24)30(44)23(7-4-5-11-36-25(40)9-10-26(41)47-3)38-48(45,46)31-16-20-13-21(17-31)15-22(14-20)18-31/h19-24,27,38H,4-18H2,1-3H3,(H,36,40)(H,37,43)/t20?,21?,22?,23-,24-,27-,31?/m0/s1","WRCDPTWUTSGXIE-RVBWGZEVSA-N",15]
["D12394",18527,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50226398","COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)CN(C(C)C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)F","InChI=1S/C25H35F7N4O8/c1-13(2)36(22(42)44-12-23(26,27)24(28,29)25(30,31)32)11-17(37)16-7-6-10-35(16)21(41)15(4)34-20(40)14(3)33-18(38)8-9-19(39)43-5/h13-16H,6-12H2,1-5H3,(H,33,38)(H,34,40)/t14-,15-,16-/m0/s1","GEDIKDMXXTURHY-JYJNAYRXSA-N",82100]
["D12395",18525,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50226401","COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)CN(C(C)C)C(=O)Oc1c(F)c(F)c(F)c(F)c1F","InChI=1S/C27H33F5N4O8/c1-12(2)36(27(42)44-24-22(31)20(29)19(28)21(30)23(24)32)11-16(37)15-7-6-10-35(15)26(41)14(4)34-25(40)13(3)33-17(38)8-9-18(39)43-5/h12-15H,6-11H2,1-5H3,(H,33,38)(H,34,40)/t13-,14-,15-/m0/s1","PYFBDGGFPQKJMS-KKUMJFAQSA-N",35000]
["D12396",18526,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50226397","COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)CN(C(C)C)C(=O)Oc1ccc(cc1)[N+]([O-])=O","InChI=1S/C27H37N5O10/c1-16(2)31(27(38)42-20-10-8-19(9-11-20)32(39)40)15-22(33)21-7-6-14-30(21)26(37)18(4)29-25(36)17(3)28-23(34)12-13-24(35)41-5/h8-11,16-18,21H,6-7,12-15H2,1-5H3,(H,28,34)(H,29,36)/t17-,18-,21-/m0/s1","KEBUDFBTAIRMPQ-WFXMLNOXSA-N",42500]
["D12397",18524,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50226396","COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)CN(C(C)C)C(=O)Oc1ccccc1","InChI=1S/C27H38N4O8/c1-17(2)31(27(37)39-20-10-7-6-8-11-20)16-22(32)21-12-9-15-30(21)26(36)19(4)29-25(35)18(3)28-23(33)13-14-24(34)38-5/h6-8,10-11,17-19,21H,9,12-16H2,1-5H3,(H,28,33)(H,29,35)/t18-,19-,21-/m0/s1","MUTFWDQOOOZSMW-ZJOUEHCJSA-N",31500]
["D12398",18520,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50226399","COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)CN(C(C)C)C(=O)Sc1nnnn1-c1ccccc1","InChI=1S/C28H38N8O7S/c1-17(2)35(28(42)44-27-31-32-33-36(27)20-10-7-6-8-11-20)16-22(37)21-12-9-15-34(21)26(41)19(4)30-25(40)18(3)29-23(38)13-14-24(39)43-5/h6-8,10-11,17-19,21H,9,12-16H2,1-5H3,(H,29,38)(H,30,40)/t18-,19-,21-/m0/s1","BNVLBNKLRFEYER-ZJOUEHCJSA-N",2400]
["D12399",18522,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50226400","COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)CN(C(C)C)C(=O)Sc1nnnn1C","InChI=1S/C23H36N8O7S/c1-13(2)31(23(37)39-22-26-27-28-29(22)5)12-17(32)16-8-7-11-30(16)21(36)15(4)25-20(35)14(3)24-18(33)9-10-19(34)38-6/h13-16H,7-12H2,1-6H3,(H,24,33)(H,25,35)/t14-,15-,16-/m0/s1","CRCCPEOBTRCFSN-JYJNAYRXSA-N",19500]
["D12400",18516,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50014748","COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(=O)OC","InChI=1S/C23H36N4O9/c1-12(2)18(19(30)23(34)36-6)26-21(32)15-8-7-11-27(15)22(33)14(4)25-20(31)13(3)24-16(28)9-10-17(29)35-5/h12-15,18H,7-11H2,1-6H3,(H,24,28)(H,25,31)(H,26,32)/t13-,14-,15-,18-/m0/s1","LMBCPECAZNCURR-XSWJXKHESA-N",680]
["D12401",18511,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50014730","COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F","InChI=1S/C22H33F3N4O7/c1-11(2)17(18(32)22(23,24)25)28-20(34)14-7-6-10-29(14)21(35)13(4)27-19(33)12(3)26-15(30)8-9-16(31)36-5/h11-14,17H,6-10H2,1-5H3,(H,26,30)(H,27,33)(H,28,34)/t12-,13-,14-,17-/m0/s1","GLEKDCYUGXACTA-WSMBLCCSSA-N",33]
["D12402",18523,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50014734","COC(=O)CCC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F","InChI=1S/C25H32F3N3O6/c1-15(2)21(22(34)25(26,27)28)30-23(35)18-10-7-13-31(18)24(36)17(14-16-8-5-4-6-9-16)29-19(32)11-12-20(33)37-3/h4-6,8-9,15,17-18,21H,7,10-14H2,1-3H3,(H,29,32)(H,30,35)/t17-,18+,21+/m1/s1","XELPZHYUDKTNLZ-LQWHRVPQSA-N",28000]
["D12403",4077,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66970","COC(=O)CCC(=O)c1ccc(OC)c(Cl)c1","InChI=1S/C12H13ClO4/c1-16-11-5-3-8(7-9(11)13)10(14)4-6-12(15)17-2/h3,5,7H,4,6H2,1-2H3","GESXDCVYURVJQM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12404",31712,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43513","COC(=O)CCS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1","InChI=1S/C15H13F3N2O4S/c1-24-13(21)7-8-25(22,23)14-19-11(10-5-3-2-4-6-10)9-12(20-14)15(16,17)18/h2-6,9H,7-8H2,1H3","PPATVQDTOMFVOG-UHFFFAOYSA-N",null,10650]
["D12405",4337,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66278","COC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O","InChI=1S/C12H17NO6S/c1-17-10-6-5-9(7-11(10)18-2)13(20(4,15)16)8-12(14)19-3/h5-7H,8H2,1-4H3","GTGXYYGFLCFQBT-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12406",4494,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66462","COC(=O)CSc1nc(N)c2c3CC(SC(c3sc2n1)c1ccccc1)c1ccccc1","InChI=1S/C24H21N3O2S3/c1-29-18(28)13-30-24-26-22(25)19-16-12-17(14-8-4-2-5-9-14)31-20(15-10-6-3-7-11-15)21(16)32-23(19)27-24/h2-11,17,20H,12-13H2,1H3,(H2,25,26,27)","LTUBZXHKUVACMY-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12407",12359,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42891","COC(=O)CSc1nc2cc3OCOc3cc2cc1C#N","InChI=1S/C14H10N2O4S/c1-18-13(17)6-21-14-9(5-15)2-8-3-11-12(20-7-19-11)4-10(8)16-14/h2-4H,6-7H2,1H3","OAHFVOHJAPTOMZ-UHFFFAOYSA-N",{"$nulls":3},7254]
["D12408",3811,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66742","COC(=O)C[C@@H]1N(c2cccc(OC)c2)S(=O)(=O)c2ccccc12","InChI=1S/C17H17NO5S/c1-22-13-7-5-6-12(10-13)18-15(11-17(19)23-2)14-8-3-4-9-16(14)24(18,20)21/h3-10,15H,11H2,1-2H3/t15-/m0/s1","YHGGOKOBYMCDHL-HNNXBMFYSA-N",{"$nulls":3},">350000"]
["D12409",4525,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66483","COC(=O)Cc1csc(N=Cc2c(O)n(-c3cccc(c3)C(F)(F)F)c(=O)c3ccccc23)n1","InChI=1S/C23H16F3N3O4S/c1-33-19(30)10-14-12-34-22(28-14)27-11-18-16-7-2-3-8-17(16)20(31)29(21(18)32)15-6-4-5-13(9-15)23(24,25)26/h2-9,11-12,32H,10H2,1H3","ZKFTYTYQBJVIOE-UHFFFAOYSA-N",{"$nulls":3},5696]
["D12410",4338,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66279","COC(=O)Cn1cc(C(=O)C2CC2)c2ccccc12","InChI=1S/C15H15NO3/c1-19-14(17)9-16-8-12(15(18)10-6-7-10)11-4-2-3-5-13(11)16/h2-5,8,10H,6-7,9H2,1H3","NGDIVNMPHRPLTR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12411",12316,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42231","COC(=O)N(NC(=O)C(O)(CCC(C)C)CCC(C)C)c1ccccc1","InChI=1S/C20H32N2O4/c1-15(2)11-13-20(25,14-12-16(3)4)18(23)21-22(19(24)26-5)17-9-7-6-8-10-17/h6-10,15-16,25H,11-14H2,1-5H3,(H,21,23)","LOCUEUJSKINSHH-UHFFFAOYSA-N",null,">35870"]
["D12412",4475,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66446","COC(=O)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(C)cc1","InChI=1S/C23H22N2O4/c1-17-13-15-20(16-14-17)25(22(27)29-2)24-21(26)23(28,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,28H,1-2H3,(H,24,26)","NNDFKJPZODVKFI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12413",15707,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM375277","COC(=O)N1CCC(C1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C29H32N8O4/c1-39-29(38)37-9-8-25(16-37)41-26-7-2-20(14-21(26)15-30)27-31-19-32-28(34-27)33-22-3-5-23(6-4-22)35-10-12-36(13-11-35)24-17-40-18-24/h2-7,14,19,24-25H,8-13,16-18H2,1H3,(H,31,32,33,34)","QZHWEAROBWWCRV-UHFFFAOYSA-N",null,37]
["D12414",18079,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277755","COC(=O)N1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C29H32N8O4/c1-39-29(38)37-9-8-25(16-37)41-26-7-2-20(14-21(26)15-30)27-31-19-32-28(34-27)33-22-3-5-23(6-4-22)35-10-12-36(13-11-35)24-17-40-18-24/h2-7,14,19,24-25H,8-13,16-18H2,1H3,(H,31,32,33,34)/t25-/m1/s1","QZHWEAROBWWCRV-RUZDIDTESA-N",null,37000,{"$nulls":4},7]
["D12415",15166,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278068","COC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C30H33FN8O4/c1-41-30(40)39-9-8-27(25(31)16-39)43-26-7-2-20(14-21(26)15-32)28-33-19-34-29(36-28)35-22-3-5-23(6-4-22)37-10-12-38(13-11-37)24-17-42-18-24/h2-7,14,19,24-25,27H,8-13,16-18H2,1H3,(H,33,34,35,36)/t25-,27+/m1/s1","JWDZSRCKUMKJPX-VPUSJEBWSA-N",null,13]
["D12416",32194,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43633","COC(=O)NNC(=O)c1ccccc1OC","InChI=1S/C10H12N2O4/c1-15-8-6-4-3-5-7(8)9(13)11-12-10(14)16-2/h3-6H,1-2H3,(H,11,13)(H,12,14)","SWAOSNJOBGUYFZ-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D12417",32089,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46377","COC(=O)Oc1ccc(C=NNC(=O)CSCc2ccccc2Br)cc1OC","InChI=1S/C19H19BrN2O5S/c1-25-17-9-13(7-8-16(17)27-19(24)26-2)10-21-22-18(23)12-28-11-14-5-3-4-6-15(14)20/h3-10H,11-12H2,1-2H3,(H,22,23)","PPGGAPXEUXGXFM-UHFFFAOYSA-N",null,">55700"]
["D12418",18530,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50025849","COC(=O)[C@@H](NC(=O)n1ccnc1)C(C)C","InChI=1S/C10H15N3O3/c1-7(2)8(9(14)16-3)12-10(15)13-5-4-11-6-13/h4-8H,1-3H3,(H,12,15)/t8-/m0/s1","FIESZNOTTXYIRS-QMMMGPOBSA-N",1110000]
["D12419",4753,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66677","COC(=O)[C@@H]1C[C@@]23[C@@H](N(C)c4ccc(OC)cc24)C(C(=O)OC)=C(N=C3N1C(=O)c1ccco1)C(=O)OC","InChI=1S/C26H25N3O9/c1-28-15-9-8-13(34-2)11-14(15)26-12-16(22(31)35-3)29(21(30)17-7-6-10-38-17)25(26)27-19(24(33)37-5)18(20(26)28)23(32)36-4/h6-11,16,20H,12H2,1-5H3/t16-,20-,26-/m0/s1","MWGKMTXTNKWECH-DYAGGBNNSA-N",{"$nulls":3},">350000"]
["D12420",4720,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66646","COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@@]3(C)C(=CC(=O)C4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]2C1","InChI=1S/C31H48O4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)33)21(32)17-19-20-18-28(4,25(34)35-8)14-13-27(20,3)15-16-30(19,31)6/h17,20,22-24,33H,9-16,18H2,1-8H3/t20-,22+,23+,24?,27-,28+,29+,30+,31-/m1/s1","RMIVRCBSQPCSCQ-VYLWROPASA-N",{"$nulls":3},">350000"]
["D12421",556,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326362","COC(=O)[C@@]1(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(CCC(C)(C)C)cn1","InChI=1S/C27H45N3O6/c1-24(2,3)13-15-29-17-20(28-18-29)27(21(31)34-10)16-19(27)12-11-14-30(22(32)35-25(4,5)6)23(33)36-26(7,8)9/h17-19H,11-16H2,1-10H3/t19-,27+/m0/s1","XFYXHUURPYELSU-UZTOHYMASA-N",null,">100.0"]
["D12422",13762,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19285307","COC(=O)[C@@]1(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(CCC(C)(C)C)cn2","InChI=1S/C27H45N3O6/c1-24(2,3)13-15-29-17-20(28-18-29)27(21(31)34-10)16-19(27)12-11-14-30(22(32)35-25(4,5)6)23(33)36-26(7,8)9/h17-19H,11-16H2,1-10H3/t19-,27+/m0/s2","XFYXHUURPYELSU-UZTOHYMASA-N",-21964.9244073844,">100.0",33709.256816724,{"$nulls":3},6.73733361472915]
["D12423",699,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326364","COC(=O)[C@@]1(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1cn(cn1)-c1ccccc1","InChI=1S/C27H37N3O6/c1-25(2,3)35-23(32)30(24(33)36-26(4,5)6)15-11-12-19-16-27(19,22(31)34-7)21-17-29(18-28-21)20-13-9-8-10-14-20/h8-10,13-14,17-19H,11-12,15-16H2,1-7H3/t19-,27+/m0/s1","UJVDFWJVJPJVJK-UZTOHYMASA-N",null,">10000"]
["D12424",452,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326385","COC(=O)[C@@]1(C[C@@H]1C[C@@H](C)CNC(=O)OC(C)(C)C)c1cn(cn1)-c1ccccc1","InChI=1S/C23H31N3O4/c1-16(13-24-21(28)30-22(2,3)4)11-17-12-23(17,20(27)29-5)19-14-26(15-25-19)18-9-7-6-8-10-18/h6-10,14-17H,11-13H2,1-5H3,(H,24,28)/t16-,17+,23-/m1/s1","HWBAEPQFGSMWCU-SAHWJRBASA-N",null,14]
["D12425",13658,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19265023","COC(=O)[C@@]1(C[C@@H]1C[C@@H](C)CNC(=O)OC(C)(C)C)c1cn(cn1)-c1ccccc2","InChI=1S/C23H31N3O4/c1-16(13-24-21(28)30-22(2,3)4)11-17-12-23(17,20(27)29-5)19-14-26(15-25-19)18-9-7-6-8-10-18/h6-10,14-17H,11-13H2,1-5H3,(H,24,28)/t16-,17+,23-/m1/s2","HWBAEPQFGSMWCU-SAHWJRBASA-N",-11340.2445099732,52.9524906724959,33643.2699403935,{"$nulls":3},6.73728771205753]
["D12426",18531,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50225473","COC(=O)[C@H](CC(C)C)NC(=O)n1ccnc1","InChI=1S/C11H17N3O3/c1-8(2)6-9(10(15)17-3)13-11(16)14-5-4-12-7-14/h4-5,7-9H,6H2,1-3H3,(H,13,16)/t9-/m0/s1","KTEDPQSJWGUJOX-VIFPVBQESA-N",1170000]
["D12427",4123,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67009","COC(=O)[C@]1(C)CCC[C@@]2(C)C3CC[C@@]4(C)C[C@@]3(CC4=NO)CCC12","InChI=1S/C21H33NO3/c1-18-10-6-15-19(2)8-5-9-20(3,17(23)25-4)14(19)7-11-21(15,13-18)12-16(18)22-24/h14-15,24H,5-13H2,1-4H3/t14?,15?,18-,19+,20+,21-/m0/s1","SIEBAZVBQXPWFH-WKFWITGMSA-N",{"$nulls":3},">350000"]
["D12428",14994,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153732","COC(=O)[C@]1(O)CC2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13","InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18?,26-,27+/m0/s1","KOZFSFOOLUUIGY-TZFXDJNOSA-N",null,"<1"]
["D12429",11863,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43014","COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)Oc1ccccc1","InChI=1S/C19H18N2O6/c1-24-14-9-12-13(10-15(14)25-2)20-17(18(22)26-3)16(12)21-19(23)27-11-7-5-4-6-8-11/h4-10,20H,1-3H3,(H,21,23)","JIILACLXESEYLN-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D12430",12091,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM37106","COC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(O)cc12","InChI=1S/C18H17NO4/c1-11-17(18(21)23-3)15-10-13(20)6-9-16(15)19(11)12-4-7-14(22-2)8-5-12/h4-10,20H,1-3H3","DPVJEMJNTMTDTP-UHFFFAOYSA-N",null,3987]
["D12431",4009,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66911","COC(=O)c1c(NC(=O)C2CC(C)=C(C)CC2C(O)=O)sc2CCCCCc12","InChI=1S/C21H27NO5S/c1-11-9-14(15(20(24)25)10-12(11)2)18(23)22-19-17(21(26)27-3)13-7-5-4-6-8-16(13)28-19/h14-15H,4-10H2,1-3H3,(H,22,23)(H,24,25)","YYFJXWVWFNDEQO-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12432",3891,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66812","COC(=O)c1cc(CNC(=O)CC(C)c2ccccc2)ccc1OC","InChI=1S/C20H23NO4/c1-14(16-7-5-4-6-8-16)11-19(22)21-13-15-9-10-18(24-2)17(12-15)20(23)25-3/h4-10,12,14H,11,13H2,1-3H3,(H,21,22)","RIIYOIVMJWPFFZ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12433",14405,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","RyR1/FKBP12","Homo sapiens","BDM50475841","COC(=O)c1cc(I)ccc1N=[N+]=[N-]","InChI=1S/C8H6IN3O2/c1-14-8(13)6-4-5(9)2-3-7(6)11-12-10/h2-4H,1H3","QAAWZVVPVQTCBN-UHFFFAOYSA-N",{"$nulls":3},">100000"]
["D12434",25447,"7e88_L",0.3,"Spike protein S1","DNA polymerase kappa","Homo sapiens","BDBM50104668","COC(=O)c1cc(OC)cc(OC)c1C(=O)c1coc(\\C=C\\C)c(OC)c1=O","InChI=1S/C20H20O8/c1-6-7-14-19(26-4)18(22)13(10-28-14)17(21)16-12(20(23)27-5)8-11(24-2)9-15(16)25-3/h6-10H,1-5H3/b7-6+","WGLRJONCGNNMKL-VOTSOKGWSA-N",null,12500]
["D12435",12141,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87344","COC(=O)c1cc(c[nH]1)S(=O)(=O)NCCc1ccc(Cl)cc1","InChI=1S/C14H15ClN2O4S/c1-21-14(18)13-8-12(9-16-13)22(19,20)17-7-6-10-2-4-11(15)5-3-10/h2-5,8-9,16-17H,6-7H2,1H3","RJKHJOQVIAEKDT-UHFFFAOYSA-N",null,5722]
["D12436",12005,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43136","COC(=O)c1ccc(C(=O)OC)c(NC(=O)C(C)(C)C)c1","InChI=1S/C15H19NO5/c1-15(2,3)14(19)16-11-8-9(12(17)20-4)6-7-10(11)13(18)21-5/h6-8H,1-5H3,(H,16,19)","MJMKMCLOGIAYPG-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D12437",4434,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66347","COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2ccccn2)c1","InChI=1S/C17H16N2O5S/c1-23-16(21)11-6-7-12(17(22)24-2)13(9-11)19-14(20)10-25-15-5-3-4-8-18-15/h3-9H,10H2,1-2H3,(H,19,20)","OYWBSWZEFCIILJ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12438",3998,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66901","COC(=O)c1ccc(CNC(=O)C2CCC(=O)N(CCc3ccccc3)C2)cc1","InChI=1S/C23H26N2O4/c1-29-23(28)19-9-7-18(8-10-19)15-24-22(27)20-11-12-21(26)25(16-20)14-13-17-5-3-2-4-6-17/h2-10,20H,11-16H2,1H3,(H,24,27)","QWKGPJQXTBQZCX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12439",11870,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM40562","COC(=O)c1ccc(COC(=O)c2ccc(cc2)S(=O)(=O)N2CCC(C)CC2)o1","InChI=1S/C20H23NO7S/c1-14-9-11-21(12-10-14)29(24,25)17-6-3-15(4-7-17)19(22)27-13-16-5-8-18(28-16)20(23)26-2/h3-8,14H,9-13H2,1-2H3","OMPZIOFQKYWTFH-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D12440",4484,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66454","COC(=O)c1ccc(Cl)cc1NC(=O)\\C=C\\c1ccc(C)o1","InChI=1S/C16H14ClNO4/c1-10-3-5-12(22-10)6-8-15(19)18-14-9-11(17)4-7-13(14)16(20)21-2/h3-9H,1-2H3,(H,18,19)/b8-6+","WBCVAVNLRBCOOQ-SOFGYWHQSA-N",{"$nulls":3},">350000"]
["D12441",4384,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66310","COC(=O)c1ccc(NC(=O)C2CN(C(=O)C2)c2ccc(C)cc2)cc1","InChI=1S/C20H20N2O4/c1-13-3-9-17(10-4-13)22-12-15(11-18(22)23)19(24)21-16-7-5-14(6-8-16)20(25)26-2/h3-10,15H,11-12H2,1-2H3,(H,21,24)","OQGVXBMTGWLGKA-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12442",4234,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66240","COC(=O)c1ccc(NC(=O)CCN2CCN(CC2)c2ccccc2)cc1","InChI=1S/C21H25N3O3/c1-27-21(26)17-7-9-18(10-8-17)22-20(25)11-12-23-13-15-24(16-14-23)19-5-3-2-4-6-19/h2-10H,11-16H2,1H3,(H,22,25)","NZSVTFGDGVTNKF-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12443",16200,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570797","COC(=O)c1ccc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(c2)C#N)nc1OC","InChI=1S/C24H23N5O5/c1-31-23-18(24(30)32-2)4-6-21(29-23)28-22-12-19(26-14-27-22)15-3-5-20(16(11-15)13-25)34-17-7-9-33-10-8-17/h3-6,11-12,14,17H,7-10H2,1-2H3,(H,26,27,28,29)","RNTDBTFWYRUUAW-UHFFFAOYSA-N",null,"<100"]
["D12444",16459,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277046","COC(=O)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C27H23N3O4/c1-32-27(31)18-4-2-17(3-5-18)24-15-23-22(8-11-29-26(23)30-24)19-6-7-25(20(14-19)16-28)34-21-9-12-33-13-10-21/h2-8,11,14-15,21H,9-10,12-13H2,1H3,(H,29,30)","DFZQZSMWFHQAPD-UHFFFAOYSA-N",null,268]
["D12445",17758,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276983","COC(=O)c1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)CO)c(c1)C#N","InChI=1S/C28H25N5O5/c1-37-28(36)18-4-2-17(3-5-18)23-13-22-26(30-16-31-27(22)32-23)19-6-7-24(20(12-19)14-29)38-21-8-10-33(11-9-21)25(35)15-34/h2-7,12-13,16,21,34H,8-11,15H2,1H3,(H,30,31,32)","DTVZKOJSVBWMFX-UHFFFAOYSA-N",null,2.17]
["D12446",17044,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209670","COC(=O)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)Nc1ccncc1","InChI=1S/C19H16N4O3/c1-26-19(25)13-4-2-12(3-5-13)14-10-16(17(20)22-11-14)18(24)23-15-6-8-21-9-7-15/h2-11H,1H3,(H2,20,22)(H,21,23,24)","FWKICXPIAZMWKY-UHFFFAOYSA-N",null,1600,{"$nulls":4},7.5,"30.00 C"]
["D12447",5032,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50283491","COC(=O)c1ccc(cc1)-n1c(C)cc(C(=O)CSc2ccc(NC(C)=O)cc2)c1C","InChI=1S/C24H24N2O4S/c1-15-13-22(16(2)26(15)20-9-5-18(6-10-20)24(29)30-4)23(28)14-31-21-11-7-19(8-12-21)25-17(3)27/h5-13H,14H2,1-4H3,(H,25,27)","BCNKQXDDMIBITO-UHFFFAOYSA-N",{"$nulls":3},1500]
["D12448",32291,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446026","COC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)N1CCOCC1","InChI=1S/C17H23N3O4/c1-23-16(21)14-2-4-15(5-3-14)18-6-8-19(9-7-18)17(22)20-10-12-24-13-11-20/h2-5H,6-13H2,1H3","CHHUXYZNFXZAOQ-UHFFFAOYSA-N",null,">30000"]
["D12449",11822,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42977","COC(=O)c1ccc(s1)S(=O)(=O)c1ccc(s1)C(=O)OC","InChI=1S/C12H10O6S3/c1-17-11(13)7-3-5-9(19-7)21(15,16)10-6-4-8(20-10)12(14)18-2/h3-6H,1-2H3","OFQJNSBMNNJDBK-UHFFFAOYSA-N",{"$nulls":3},36660]
["D12450",25866,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM50026612","COC(=O)c1ccc2\\C(=C(\\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1","InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-","XZXHXSATPCNXJR-ZIADKAODSA-N",null,null,">10000"]
["D12451",3764,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM34717","COC(=O)c1ccc2c(c1)C(C)(C)C(\\C=C\\c1ccc(O)cc1)=[N+]2C","InChI=1S/C21H21NO3/c1-21(2)17-13-15(20(24)25-4)8-11-18(17)22(3)19(21)12-7-14-5-9-16(23)10-6-14/h5-13H,1-4H3/p+1","BPEBAMZYTIXEKH-UHFFFAOYSA-O",{"$nulls":3},15170]
["D12452",3766,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM39763","COC(=O)c1ccc2c(c1)C(C)(C)C(\\C=C\\c1ccccc1O)=[N+]2C","InChI=1S/C21H21NO3/c1-21(2)16-13-15(20(24)25-4)9-11-17(16)22(3)19(21)12-10-14-7-5-6-8-18(14)23/h5-13H,1-4H3/p+1","CRZMPBDMWJWPBA-UHFFFAOYSA-O",{"$nulls":3},12580]
["D12453",3846,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66772","COC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc3OCOc3c1)c2=O","InChI=1S/C18H14N2O5S/c1-23-17(22)11-3-4-12-13(7-11)19-18(26)20(16(12)21)8-10-2-5-14-15(6-10)25-9-24-14/h2-7H,8-9H2,1H3,(H,19,26)","DOPPUDKQAQOHLY-UHFFFAOYSA-N",{"$nulls":3},44080]
["D12454",32035,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46336","COC(=O)c1cccc(NC(=O)CSc2nc3cccnc3n2C)c1","InChI=1S/C17H16N4O3S/c1-21-15-13(7-4-8-18-15)20-17(21)25-10-14(22)19-12-6-3-5-11(9-12)16(23)24-2/h3-9H,10H2,1-2H3,(H,19,22)","LSBATUITNJQOCI-UHFFFAOYSA-N",null,">55700"]
["D12455",32233,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM220115","COC(=O)c1cccc(Nc2ccc([N+]([O-])=O)c3ccccc23)c1","InChI=1S/C18H14N2O4/c1-24-18(21)12-5-4-6-13(11-12)19-16-9-10-17(20(22)23)15-8-3-2-7-14(15)16/h2-11,19H,1H3","SGARVXGRHFGJTH-UHFFFAOYSA-N",null,8170]
["D12456",31671,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50382460","COC(=O)c1cccc(c1)-c1ccc(cc1)-c1ccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c2ccc(C(O)=O)c(O)c2)cc1","InChI=1S/C38H34N2O8S/c1-25-7-18-33(19-8-25)49(46,47)39(2)24-36(42)40(32-17-20-34(37(43)44)35(41)22-32)23-26-9-11-27(12-10-26)28-13-15-29(16-14-28)30-5-4-6-31(21-30)38(45)48-3/h4-22,41H,23-24H2,1-3H3,(H,43,44)","LXXBORWQOCZOIL-UHFFFAOYSA-N",3200]
["D12457",11795,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM39195","COC(=O)c1cccc2C(N=O)c3ccccc3-c12","InChI=1S/C15H11NO3/c1-19-15(17)12-8-4-7-11-13(12)9-5-2-3-6-10(9)14(11)16-18/h2-8,14H,1H3","DAGAGKZBUIOZKE-UHFFFAOYSA-N",null,2352]
["D12458",11852,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43004","COC(=O)c1ccccc1NC(=O)c1cc(on1)-c1ccc(O)cc1","InChI=1S/C18H14N2O5/c1-24-18(23)13-4-2-3-5-14(13)19-17(22)15-10-16(25-20-15)11-6-8-12(21)9-7-11/h2-10,21H,1H3,(H,19,22)","MLNPWHJBBFIFID-UHFFFAOYSA-N",{"$nulls":3},33570]
["D12459",357,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81911","COC(=O)c1ccccc1NC(=S)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O","InChI=1S/C25H23N3O4S/c1-16-7-5-8-17-13-18(23(29)27-22(16)17)14-28(15-19-9-6-12-32-19)25(33)26-21-11-4-3-10-20(21)24(30)31-2/h3-13H,14-15H2,1-2H3,(H,26,33)(H,27,29)","FMEZNJBXBHDEHR-UHFFFAOYSA-N",13300]
["D12460",16612,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209675","COC(=O)c1cnccc1NC(=O)c1cc(cnc1N)-c1ccc(CN2CCOCC2)s1","InChI=1S/C22H23N5O4S/c1-30-22(29)17-12-24-5-4-18(17)26-21(28)16-10-14(11-25-20(16)23)19-3-2-15(32-19)13-27-6-8-31-9-7-27/h2-5,10-12H,6-9,13H2,1H3,(H2,23,25)(H,24,26,28)","CMPWXMFWOPOFHN-UHFFFAOYSA-N",null,450,{"$nulls":4},7.5,"30.00 C"]
["D12461",11880,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43029","COC(=O)c1cnn(c1C)-c1nc2c(C)cccc2s1","InChI=1S/C14H13N3O2S/c1-8-5-4-6-11-12(8)16-14(20-11)17-9(2)10(7-15-17)13(18)19-3/h4-7H,1-3H3","JFAGOPWCRXBSAO-UHFFFAOYSA-N",{"$nulls":3},67000]
["D12462",31746,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43550","COC(=O)c1n[nH]c2ccccc12","InChI=1S/C9H8N2O2/c1-13-9(12)8-6-4-2-3-5-7(6)10-11-8/h2-5H,1H3,(H,10,11)","KWTCVAHCQGKXAZ-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D12463",32018,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67126","COC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2ccccc12","InChI=1S/C16H11FN2O3/c1-22-16(21)14-12-4-2-3-5-13(12)15(20)19(18-14)11-8-6-10(17)7-9-11/h2-9H,1H3","RNBYABBZJBXDIK-UHFFFAOYSA-N",null,">55690"]
["D12464",31706,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46374","COC(=O)c1nn(cc1O)-c1ccc2N(CCc2c1)C(C)=O","InChI=1S/C15H15N3O4/c1-9(19)17-6-5-10-7-11(3-4-12(10)17)18-8-13(20)14(16-18)15(21)22-2/h3-4,7-8,20H,5-6H2,1-2H3","XZHUPIKVUNTZKK-UHFFFAOYSA-N",null,9865]
["D12465",12201,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM39243","COC(=O)c1sc2cnccc2c1N","InChI=1S/C9H8N2O2S/c1-13-9(12)8-7(10)5-2-3-11-4-6(5)14-8/h2-4H,10H2,1H3","VAAFWMASRDVMQF-UHFFFAOYSA-N",null,8339]
["D12466",31776,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM30930","COC(=O)c1sccc1NC(=O)c1cc2CCCCc2s1","InChI=1S/C15H15NO3S2/c1-19-15(18)13-10(6-7-20-13)16-14(17)12-8-9-4-2-3-5-11(9)21-12/h6-8H,2-5H2,1H3,(H,16,17)","UTVAUYFTMRULHJ-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D12467",11872,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43021","COC(=O)c1sccc1NC(=O)c1ccc(Br)s1","InChI=1S/C11H8BrNO3S2/c1-16-11(15)9-6(4-5-17-9)13-10(14)7-2-3-8(12)18-7/h2-5H,1H3,(H,13,14)","LUQHYSXMPGKDPT-UHFFFAOYSA-N",{"$nulls":3},12170]
["D12468",14699,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276992","COC(C)(C)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1cc(C#N)c(OC2CCOCC2)cn1","InChI=1S/C28H28N4O3/c1-28(2,33-3)20-6-4-18(5-7-20)24-15-23-22(8-11-30-27(23)32-24)25-14-19(16-29)26(17-31-25)35-21-9-12-34-13-10-21/h4-8,11,14-15,17,21H,9-10,12-13H2,1-3H3,(H,30,32)","BJJXTIWXVHNEJL-UHFFFAOYSA-N",null,4.8,{"$nulls":4},7]
["D12469",12079,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87275","COC(CN(C(C(=O)NC1CCCCC1)c1ccccc1C)C(=O)CCl)OC","InChI=1S/C21H31ClN2O4/c1-15-9-7-8-12-17(15)20(21(26)23-16-10-5-4-6-11-16)24(18(25)13-22)14-19(27-2)28-3/h7-9,12,16,19-20H,4-6,10-11,13-14H2,1-3H3,(H,23,26)","SZASELIGDZEEFS-UHFFFAOYSA-N",null,3755]
["D12470",18011,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569996","COC1(COC1)c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D12471",18013,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569998","COC1(COC1)c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(F)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D12472",15647,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397780","COC1CC(C1)C(=O)Nc1cnc(cn1)-c1cnc(C#N)c(N[C@@H](C)C(=O)N(C)CC(F)F)c1","InChI=1S/C22H25F2N7O3/c1-12(22(33)31(2)11-19(23)24)29-16-6-14(8-26-17(16)7-25)18-9-28-20(10-27-18)30-21(32)13-4-15(5-13)34-3/h6,8-10,12-13,15,19,29H,4-5,11H2,1-3H3,(H,28,30,32)/t12-,13?,15?/m0/s1","BZLYUZSAIRJKJR-OPFPJEHXSA-N",null,31.6]
["D12473",15248,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277900","COC1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C30H35N7O3/c1-38-26-7-9-27(10-8-26)40-28-11-2-21(16-22(28)17-31)29-32-20-33-30(35-29)34-23-3-5-24(6-4-23)36-12-14-37(15-13-36)25-18-39-19-25/h2-6,11,16,20,25-27H,7-10,12-15,18-19H2,1H3,(H,32,33,34,35)","FARBLOKAGKHLAV-UHFFFAOYSA-N",null,15]
["D12474",15727,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478468","COC1CCN(CC1)S(=O)(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ncncc3OC)c2)CC1","InChI=1S/C28H35N9O4S/c1-40-22-6-9-36(10-7-22)42(38,39)37-13-11-35(12-14-37)18-20-5-8-30-26(15-20)34-28-32-23-4-3-21(16-24(23)33-28)27-25(41-2)17-29-19-31-27/h3-5,8,15-17,19,22H,6-7,9-14,18H2,1-2H3,(H2,30,32,33,34)","TUGZEIOQUKYXEJ-UHFFFAOYSA-N",null,39.2]
["D12475",16930,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397653","COC1CN(C1)C(=O)CNc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C21H22N6O3/c1-30-16-11-27(12-16)20(28)10-24-17-6-14(4-5-15(17)7-22)18-8-25-19(9-23-18)26-21(29)13-2-3-13/h4-6,8-9,13,16,24H,2-3,10-12H2,1H3,(H,25,26,29)","PXHLUIOUKXXJHQ-UHFFFAOYSA-N",null,1000]
["D12476",16697,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397647","COC1CN(C1)C(=O)[C@H](C)Nc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C22H24N6O3/c1-13(22(30)28-11-17(12-28)31-2)26-18-7-15(5-6-16(18)8-23)19-9-25-20(10-24-19)27-21(29)14-3-4-14/h5-7,9-10,13-14,17,26H,3-4,11-12H2,1-2H3,(H,25,27,29)/t13-/m0/s1","RESQRUYZDWSBGE-ZDUSSCGKSA-N",null,501]
["D12477",15170,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278047","COC1CN(C1)c1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C27H30N8O2/c1-36-24-14-35(15-24)25-7-2-19(12-20(25)13-28)26-29-18-30-27(32-26)31-21-3-5-22(6-4-21)33-8-10-34(11-9-33)23-16-37-17-23/h2-7,12,18,23-24H,8-11,14-17H2,1H3,(H,29,30,31,32)","KHTVETQZNFRFIL-UHFFFAOYSA-N",null,13]
["D12478",15511,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245986","COC1CN(Cc2ccc(Nc3nccc(n3)-c3cnc(N4CC[C@H](F)C4)c(c3)C#N)cn2)C1","InChI=1S/C24H25FN8O/c1-34-21-14-32(15-21)13-20-3-2-19(11-28-20)30-24-27-6-4-22(31-24)17-8-16(9-26)23(29-10-17)33-7-5-18(25)12-33/h2-4,6,8,10-11,18,21H,5,7,12-15H2,1H3,(H,27,30,31)/t18-/m0/s1","MQKFVWXSNDRCDV-SFHVURJKSA-N",null,"<30",{"$nulls":4},7.5]
["D12479",14602,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278267","COCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(C4CCN(C)CC4)c(C)c3)n2)[C@H](F)C1","InChI=1S/C31H36FN7O3/c1-20-14-24(5-6-25(20)21-8-11-38(2)12-9-21)36-31-35-19-34-30(37-31)22-4-7-27(23(15-22)16-33)42-28-10-13-39(17-26(28)32)29(40)18-41-3/h4-7,14-15,19,21,26,28H,8-13,17-18H2,1-3H3,(H,34,35,36,37)/t26-,28+/m1/s1","GDMLXKZMNHJKNI-IAPPQJPRSA-N",null,4]
["D12480",17154,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278270","COCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(C4CCN(CC4)C=O)c(C)c3)n2)[C@H](F)C1","InChI=1S/C31H34FN7O4/c1-20-13-24(4-5-25(20)21-7-10-38(19-40)11-8-21)36-31-35-18-34-30(37-31)22-3-6-27(23(14-22)15-33)43-28-9-12-39(16-26(28)32)29(41)17-42-2/h3-6,13-14,18-19,21,26,28H,7-12,16-17H2,1-2H3,(H,34,35,36,37)/t26-,28+/m1/s1","ZTDINRKSUABPHP-IAPPQJPRSA-N",null,2000,{"$nulls":4},7]
["D12481",17320,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278180","COCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(N4CCN(CC4)C4COC4)c(F)c3)n2)[C@H](F)C1","InChI=1S/C31H34F2N8O4/c1-43-18-29(42)41-7-6-28(25(33)15-41)45-27-5-2-20(12-21(27)14-34)30-35-19-36-31(38-30)37-22-3-4-26(24(32)13-22)40-10-8-39(9-11-40)23-16-44-17-23/h2-5,12-13,19,23,25,28H,6-11,15-18H2,1H3,(H,35,36,37,38)/t25-,28+/m1/s1","IMGZOBKTFZTCDS-NAKRPHOHSA-N",null,3000,{"$nulls":4},7]
["D12482",17145,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278324","COCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C31H35FN8O4/c1-42-19-29(41)40-9-8-28(26(32)16-40)44-27-7-2-21(14-22(27)15-33)30-34-20-35-31(37-30)36-23-3-5-24(6-4-23)38-10-12-39(13-11-38)25-17-43-18-25/h2-7,14,20,25-26,28H,8-13,16-19H2,1H3,(H,34,35,36,37)/t26-,28+/m1/s1","RKMJTCCRYUDKOW-IAPPQJPRSA-N",null,2000,{"$nulls":4},7]
["D12483",4260,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66260","COCC(=O)NC(C)c1nc2ccccc2[nH]1","InChI=1S/C12H15N3O2/c1-8(13-11(16)7-17-2)12-14-9-5-3-4-6-10(9)15-12/h3-6,8H,7H2,1-2H3,(H,13,16)(H,14,15)","PJVYEPKTCPHMAN-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12484",31393,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Cyclin-dependent kinase 11A","Homo sapiens","BDBM31340","COCC(=O)NC\\C=C\\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1","InChI=1S/C27H27N5O3/c1-18-13-21(8-11-25(18)35-22-9-6-19(2)29-15-22)32-27-23-14-20(7-10-24(23)30-17-31-27)5-4-12-28-26(33)16-34-3/h4-11,13-15,17H,12,16H2,1-3H3,(H,28,33)(H,30,31,32)/b5-4+","LLVZBTWPGQVVLW-SNAWJCMRSA-N",null,null,">10000"]
["D12485",31805,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43501","COCC(C)NC(=O)CCS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(OC)cc1","InChI=1S/C19H22F3N3O5S/c1-12(11-29-2)23-17(26)8-9-31(27,28)18-24-15(10-16(25-18)19(20,21)22)13-4-6-14(30-3)7-5-13/h4-7,10,12H,8-9,11H2,1-3H3,(H,23,26)","MKYUQMHSEIPNGO-UHFFFAOYSA-N",null,11870]
["D12486",16326,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397673","COCC(Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)C","InChI=1S/C20H23N7O3/c1-27(2)20(29)17(11-30-3)25-14-6-13(8-22-15(14)7-21)16-9-24-18(10-23-16)26-19(28)12-4-5-12/h6,8-10,12,17,25H,4-5,11H2,1-3H3,(H,24,26,28)","YIUNLXWGVYUPSN-UHFFFAOYSA-N",null,158]
["D12487",14791,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278335","COCC(O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C32H37FN8O5/c1-44-19-27(42)31(43)41-9-8-29(26(33)16-41)46-28-7-2-21(14-22(28)15-34)30-35-20-36-32(38-30)37-23-3-5-24(6-4-23)39-10-12-40(13-11-39)25-17-45-18-25/h2-7,14,20,25-27,29,42H,8-13,16-19H2,1H3,(H,35,36,37,38)/t26-,27?,29+/m1/s1","BADBSLDAFQXVRZ-BASRVRKUSA-N",null,6]
["D12488",17982,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570056","COCC1(C)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(Cl)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D12489",16883,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246059","COCC1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1","InChI=1S/C26H30N8O2/c1-35-18-19-5-7-34(16-19)25-20(13-27)12-21(14-30-25)24-4-6-28-26(32-24)31-22-2-3-23(29-15-22)17-33-8-10-36-11-9-33/h2-4,6,12,14-15,19H,5,7-11,16-18H2,1H3,(H,28,31,32)","WJGMSRRHHQAQKJ-UHFFFAOYSA-N",null,"<1000",{"$nulls":4},7.5]
["D12490",15780,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478467","COCC1CCN(CC1)S(=O)(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ncncc3OC)c2)CC1","InChI=1S/C29H37N9O4S/c1-41-19-21-6-9-37(10-7-21)43(39,40)38-13-11-36(12-14-38)18-22-5-8-31-27(15-22)35-29-33-24-4-3-23(16-25(24)34-29)28-26(42-2)17-30-20-32-28/h3-5,8,15-17,20-21H,6-7,9-14,18-19H2,1-2H3,(H2,31,33,34,35)","RQGRLXVOXBSIHC-UHFFFAOYSA-N",null,45.9]
["D12491",15865,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50401942","COCCC(=O)NCCCNc1nc(Nc2cccc(F)c2)ncc1Br","InChI=1S/C17H21BrFN5O2/c1-26-9-6-15(25)20-7-3-8-21-16-14(18)11-22-17(24-16)23-13-5-2-4-12(19)10-13/h2,4-5,10-11H,3,6-9H2,1H3,(H,20,25)(H2,21,22,23,24)","FMWYXEZJQFBDRW-UHFFFAOYSA-N",null,60]
["D12492",4365,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66300","COCCCN(C(C)c1ccncc1)C(=O)Nc1ccccc1","InChI=1S/C18H23N3O2/c1-15(16-9-11-19-12-10-16)21(13-6-14-23-2)18(22)20-17-7-4-3-5-8-17/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,20,22)","CZUUYFAMLQMEEX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12493",31778,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43576","COCCCNC(=O)c1cc2c(nn(C)c2s1)-c1ccc(Cl)cc1","InChI=1S/C17H18ClN3O2S/c1-21-17-13(15(20-21)11-4-6-12(18)7-5-11)10-14(24-17)16(22)19-8-3-9-23-2/h4-7,10H,3,8-9H2,1-2H3,(H,19,22)","IDJNXNQNQODMDK-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D12494",4071,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66965","COCCCNC(=O)c1cccc(c1)S(=O)(=O)N1CC2(C)CC1CC(C)(C)C2","InChI=1S/C21H32N2O4S/c1-20(2)12-17-13-21(3,14-20)15-23(17)28(25,26)18-8-5-7-16(11-18)19(24)22-9-6-10-27-4/h5,7-8,11,17H,6,9-10,12-15H2,1-4H3,(H,22,24)","FMEMDTLASPXBPG-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12495",15097,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478631","COCCCNc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C28H32F3N9O2/c1-42-12-2-6-32-24-15-22(34-18-35-24)20-3-4-21-23(14-20)37-27(36-21)38-25-13-19(5-7-33-25)17-39-8-10-40(11-9-39)26(41)16-28(29,30)31/h3-5,7,13-15,18H,2,6,8-12,16-17H2,1H3,(H,32,34,35)(H2,33,36,37,38)","IDNJRWRYUHQXDQ-UHFFFAOYSA-N",null,11]
["D12496",14772,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478630","COCCCNc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C30H39N9O3/c1-30(2,3)42-29(40)39-13-11-38(12-14-39)19-21-8-10-32-27(16-21)37-28-35-23-7-6-22(17-25(23)36-28)24-18-26(34-20-33-24)31-9-5-15-41-4/h6-8,10,16-18,20H,5,9,11-15,19H2,1-4H3,(H,31,33,34)(H2,32,35,36,37)","MMHCNFOPJFTKFD-UHFFFAOYSA-N",null,5.7]
["D12497",31728,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43651","COCCCNc1nc2c(nnn2c2ccccc12)-c1cccc(c1)C(F)(F)F","InChI=1S/C20H18F3N5O/c1-29-11-5-10-24-18-15-8-2-3-9-16(15)28-19(25-18)17(26-27-28)13-6-4-7-14(12-13)20(21,22)23/h2-4,6-9,12H,5,10-11H2,1H3,(H,24,25)","DOTNEWZMSIIEHJ-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D12498",3512,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565051","COCCCOc1cccc(C2CCc3c(C2)cnn(-c2ncccn2)c3=O)c1C","InChI=1S/C23H26N4O3/c1-16-19(6-3-7-21(16)30-13-5-12-29-2)17-8-9-20-18(14-17)15-26-27(22(20)28)23-24-10-4-11-25-23/h3-4,6-7,10-11,15,17H,5,8-9,12-14H2,1-2H3","UOLBVYVJSAWFKN-UHFFFAOYSA-N",null,"<500"]
["D12499",15690,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478461","COCCCS(=O)(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ncncc3OC)c2)CC1","InChI=1S/C26H32N8O4S/c1-37-12-3-13-39(35,36)34-10-8-33(9-11-34)17-19-6-7-28-24(14-19)32-26-30-21-5-4-20(15-22(21)31-26)25-23(38-2)16-27-18-29-25/h4-7,14-16,18H,3,8-13,17H2,1-2H3,(H2,28,30,31,32)","HLYOIFVHNJSKNA-UHFFFAOYSA-N",null,35]
["D12500",16255,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144199","COCCCn1cc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1","InChI=1S/C24H27N5O3/c1-30-10-2-9-29-17-21(16-27-29)28-24-14-19(5-8-26-24)18-3-4-23(20(13-18)15-25)32-22-6-11-31-12-7-22/h3-5,8,13-14,16-17,22H,2,6-7,9-12H2,1H3,(H,26,28)","QNONXXVGNAZLMI-UHFFFAOYSA-N",null,120,{"$nulls":4},7.5,"30.00 C"]
["D12501",4657,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66598","COCCCn1cc(cc(C#N)c1=O)C(=O)c1cc(OC)ccc1OCC(=O)N1CCCCC1C","InChI=1S/C26H31N3O6/c1-18-7-4-5-11-29(18)24(30)17-35-23-9-8-21(34-3)14-22(23)25(31)20-13-19(15-27)26(32)28(16-20)10-6-12-33-2/h8-9,13-14,16,18H,4-7,10-12,17H2,1-3H3","RBWLACKZAIMOGT-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12502",4659,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66600","COCCN(C(=O)CSc1nc2ccccc2c(=O)n1C(C)COC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O","InChI=1S/C28H32N6O6S/c1-18(16-40-3)34-26(37)20-11-7-8-12-21(20)30-28(34)41-17-22(35)32(13-14-39-2)23-24(29)33(27(38)31-25(23)36)15-19-9-5-4-6-10-19/h4-12,18H,13-17,29H2,1-3H3,(H,31,36,38)","VGKXRNPVETVXON-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12503",15955,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397648","COCCN(C)C(=O)[C@H](C)Nc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C22H26N6O3/c1-14(22(30)28(2)8-9-31-3)26-18-10-16(6-7-17(18)11-23)19-12-25-20(13-24-19)27-21(29)15-4-5-15/h6-7,10,12-15,26H,4-5,8-9H2,1-3H3,(H,25,27,29)/t14-/m0/s1","ATVIRPKOPOFAAB-AWEZNQCLSA-N",null,79.4]
["D12504",15482,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245949","COCCN(C)CC(=O)Nc1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1","InChI=1S/C25H28FN9O2/c1-34(9-10-37-2)16-23(36)33-22-4-3-20(14-29-22)31-25-28-7-5-21(32-25)18-11-17(12-27)24(30-13-18)35-8-6-19(26)15-35/h3-5,7,11,13-14,19H,6,8-10,15-16H2,1-2H3,(H,28,31,32)(H,29,33,36)/t19-/m0/s1","NXTBHAVDUPYLBO-IBGZPJMESA-N",null,"<30",{"$nulls":4},7.5]
["D12505",15621,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246086","COCCN(C)Cc1ccc(Nc2nccc(n2)-c2ccc(N3CC[C@H](F)C3)c(n2)C#N)cn1","InChI=1S/C24H27FN8O/c1-32(11-12-34-2)16-19-4-3-18(14-28-19)29-24-27-9-7-21(31-24)20-5-6-23(22(13-26)30-20)33-10-8-17(25)15-33/h3-7,9,14,17H,8,10-12,15-16H2,1-2H3,(H,27,29,31)/t17-/m0/s1","XYTSFWYWCCOKHT-KRWDZBQOSA-N",null,"<30",{"$nulls":4},7.5]
["D12506",16058,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245985","COCCN(C)Cc1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1","InChI=1S/C24H27FN8O/c1-32(9-10-34-2)16-21-4-3-20(14-28-21)30-24-27-7-5-22(31-24)18-11-17(12-26)23(29-13-18)33-8-6-19(25)15-33/h3-5,7,11,13-14,19H,6,8-10,15-16H2,1-2H3,(H,27,30,31)/t19-/m0/s1","UQSXUAJQFXHPMG-IBGZPJMESA-N",null,"<100",{"$nulls":4},7.5]
["D12507",16887,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246093","COCCN(C)c1ccc(nc1C#N)-c1ccnc(Nc2cnn(C)c2)n1","InChI=1S/C18H20N8O/c1-25(8-9-27-3)17-5-4-14(23-16(17)10-19)15-6-7-20-18(24-15)22-13-11-21-26(2)12-13/h4-7,11-12H,8-9H2,1-3H3,(H,20,22,24)","ZYXSGPPFODUOKB-UHFFFAOYSA-N",null,"<1000",{"$nulls":4},7.5]
["D12508",16886,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246069","COCCN(C)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1","InChI=1S/C24H28N8O2/c1-31(7-10-33-2)23-18(14-25)13-19(15-28-23)22-5-6-26-24(30-22)29-20-3-4-21(27-16-20)17-32-8-11-34-12-9-32/h3-6,13,15-16H,7-12,17H2,1-2H3,(H,26,29,30)","BGHLNMYVDFEVQM-UHFFFAOYSA-N",null,"<1000",{"$nulls":4},7.5]
["D12509",15879,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397708","COCCN(CC(F)(F)F)C(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C21H22F3N7O3/c1-34-5-4-31(12-21(22,23)24)19(32)11-28-15-6-14(8-26-16(15)7-25)17-9-29-18(10-27-17)30-20(33)13-2-3-13/h6,8-10,13,28H,2-5,11-12H2,1H3,(H,29,30,33)","ULBXGQDFNXZQDY-UHFFFAOYSA-N",null,63.1]
["D12510",15268,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397713","COCCN(CC(F)F)C(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C21H23F2N7O3/c1-33-5-4-30(12-18(22)23)20(31)11-27-15-6-14(8-25-16(15)7-24)17-9-28-19(10-26-17)29-21(32)13-2-3-13/h6,8-10,13,18,27H,2-5,11-12H2,1H3,(H,28,29,32)","AGBXLAFXGQSOFP-UHFFFAOYSA-N",null,15.8]
["D12511",16907,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278379","COCCN1CC(COc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)CC1=O","InChI=1S/C31H36N8O4/c1-41-13-12-39-17-22(14-29(39)40)18-43-28-7-2-23(15-24(28)16-32)30-33-21-34-31(36-30)35-25-3-5-26(6-4-25)37-8-10-38(11-9-37)27-19-42-20-27/h2-7,15,21-22,27H,8-14,17-20H2,1H3,(H,33,34,35,36)","MSSYATFLASFHHR-UHFFFAOYSA-N",null,1000]
["D12512",17601,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397729","COCCN1CCN(CC1)C(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C23H28N8O3/c1-34-9-8-30-4-6-31(7-5-30)22(32)15-27-18-10-17(12-25-19(18)11-24)20-13-28-21(14-26-20)29-23(33)16-2-3-16/h10,12-14,16,27H,2-9,15H2,1H3,(H,28,29,33)","NRBAVYQGEPDCQR-UHFFFAOYSA-N",null,7943]
["D12513",15241,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246030","COCCN1Cc2ccc(Nc3nccc(n3)-c3cnc(N4CC[C@H](F)C4)c(c3)C#N)cc2C1","InChI=1S/C25H26FN7O/c1-34-9-8-32-14-17-2-3-22(11-20(17)15-32)30-25-28-6-4-23(31-25)19-10-18(12-27)24(29-13-19)33-7-5-21(26)16-33/h2-4,6,10-11,13,21H,5,7-9,14-16H2,1H3,(H,28,30,31)/t21-/m0/s1","ZCDAMNWWTXPRMT-NRFANRHFSA-N",null,"<15",{"$nulls":4},7.5]
["D12514",32204,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43643","COCCNC(=O)C(=O)NNC(=O)c1ccccc1OC","InChI=1S/C13H17N3O5/c1-20-8-7-14-12(18)13(19)16-15-11(17)9-5-3-4-6-10(9)21-2/h3-6H,7-8H2,1-2H3,(H,14,18)(H,15,17)(H,16,19)","CWHSVOUFCFSKDU-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D12515",4211,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66222","COCCNC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(C)cc1C)c1ccco1","InChI=1S/C25H27N5O4/c1-17-10-11-20(18(2)15-17)30(23(31)16-29-21-8-5-4-7-19(21)27-28-29)24(22-9-6-13-34-22)25(32)26-12-14-33-3/h4-11,13,15,24H,12,14,16H2,1-3H3,(H,26,32)","LMOCPTHBKKTRHR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12516",15637,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278205","COCCNC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C32H38FN9O4/c1-44-15-9-35-32(43)42-10-8-29(27(33)18-42)46-28-7-2-22(16-23(28)17-34)30-36-21-37-31(39-30)38-24-3-5-25(6-4-24)40-11-13-41(14-12-40)26-19-45-20-26/h2-7,16,21,26-27,29H,8-15,18-20H2,1H3,(H,35,43)(H,36,37,38,39)/t27-,29+/m1/s1","FSMHXZZFIBIERO-PXJZQJOASA-N",null,31]
["D12517",17039,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397646","COCCNC(=O)[C@H](C)Nc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C21H24N6O3/c1-13(20(28)23-7-8-30-2)26-17-9-15(5-6-16(17)10-22)18-11-25-19(12-24-18)27-21(29)14-3-4-14/h5-6,9,11-14,26H,3-4,7-8H2,1-2H3,(H,23,28)(H,25,27,29)/t13-/m0/s1","QHVXBUCJCSSWMG-ZDUSSCGKSA-N",null,1585]
["D12518",16001,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50448987","COCCNC(=O)c1cc(cs1)-c1cnc2nc([nH]c2c1)-c1ccc(OC)cc1","InChI=1S/C21H20N4O3S/c1-27-8-7-22-21(26)18-10-15(12-29-18)14-9-17-20(23-11-14)25-19(24-17)13-3-5-16(28-2)6-4-13/h3-6,9-12H,7-8H2,1-2H3,(H,22,26)(H,23,24,25)","MJBVMFNLYNJFSW-UHFFFAOYSA-N",null,98]
["D12519",12329,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87339","COCCNC(=O)c1cc(nc2ccc(cc12)S(=O)(=O)N1CCC(C)CC1)-c1ccccn1","InChI=1S/C24H28N4O4S/c1-17-8-12-28(13-9-17)33(30,31)18-6-7-21-19(15-18)20(24(29)26-11-14-32-2)16-23(27-21)22-5-3-4-10-25-22/h3-7,10,15-17H,8-9,11-14H2,1-2H3,(H,26,29)","ZKJIMMTYNBWNCN-UHFFFAOYSA-N",null,">35874"]
["D12520",31784,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43582","COCCNC(=O)c1cc2c(nn(C)c2s1)-c1ccc(Cl)cc1","InChI=1S/C16H16ClN3O2S/c1-20-16-12(9-13(23-16)15(21)18-7-8-22-2)14(19-20)10-3-5-11(17)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,18,21)","NJCHHAAQUNWEBX-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D12521",3858,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66783","COCCNC(=S)N(CCc1c(C)[nH]c2ccccc12)Cc1cccnc1","InChI=1S/C21H26N4OS/c1-16-18(19-7-3-4-8-20(19)24-16)9-12-25(21(27)23-11-13-26-2)15-17-6-5-10-22-14-17/h3-8,10,14,24H,9,11-13,15H2,1-2H3,(H,23,27)","DBKJSOUQUMDPOU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12522",16063,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246049","COCCNCC(=O)Nc1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1","InChI=1S/C24H26FN9O2/c1-36-9-7-27-14-22(35)33-21-3-2-19(13-29-21)31-24-28-6-4-20(32-24)17-10-16(11-26)23(30-12-17)34-8-5-18(25)15-34/h2-4,6,10,12-13,18,27H,5,7-9,14-15H2,1H3,(H,28,31,32)(H,29,33,35)/t18-/m0/s1","MILRULHKLDTXAB-SFHVURJKSA-N",null,"<100",{"$nulls":4},7.5]
["D12523",15623,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246095","COCCNCc1ccc(Nc2nccc(n2)-c2ccc(N3CC[C@H](F)C3)c(n2)C#N)cn1","InChI=1S/C23H25FN8O/c1-33-11-9-26-13-17-2-3-18(14-28-17)29-23-27-8-6-20(31-23)19-4-5-22(21(12-25)30-19)32-10-7-16(24)15-32/h2-6,8,14,16,26H,7,9-11,13,15H2,1H3,(H,27,29,31)/t16-/m0/s1","GVODMUIHQJBFCP-INIZCTEOSA-N",null,"<30",{"$nulls":4},7.5]
["D12524",16057,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245980","COCCNCc1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1","InChI=1S/C23H25FN8O/c1-33-9-7-26-13-19-2-3-20(14-28-19)30-23-27-6-4-21(31-23)17-10-16(11-25)22(29-12-17)32-8-5-18(24)15-32/h2-4,6,10,12,14,18,26H,5,7-9,13,15H2,1H3,(H,27,30,31)/t18-/m0/s1","PJFYONWFRCIFBJ-SFHVURJKSA-N",null,"<100",{"$nulls":4},7.5]
["D12525",16454,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205207","COCCNCc1ccc(cc1)C(=O)Nc1sc(nc1C(N)=O)-c1ccncc1","InChI=1S/C20H21N5O3S/c1-28-11-10-23-12-13-2-4-14(5-3-13)18(27)25-20-16(17(21)26)24-19(29-20)15-6-8-22-9-7-15/h2-9,23H,10-12H2,1H3,(H2,21,26)(H,25,27)","VQAVTPGDFOJCLZ-UHFFFAOYSA-N",null,260,{"$nulls":4},7.5,"30.00 C"]
["D12526",16032,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246010","COCCNCc1cncc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)c1","InChI=1S/C23H25FN8O/c1-33-7-5-26-11-16-8-20(14-27-12-16)30-23-28-4-2-21(31-23)18-9-17(10-25)22(29-13-18)32-6-3-19(24)15-32/h2,4,8-9,12-14,19,26H,3,5-7,11,15H2,1H3,(H,28,30,31)/t19-/m0/s1","UYYHTUSACVZJJW-IBGZPJMESA-N",null,"<100",{"$nulls":4},7.5]
["D12527",31421,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","PITSLRE serine/threonine-protein kinase CDC2L1","Homo sapiens","BDBM50466210","COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3(CCOCC3)C#N)n2)c(Cl)cn1","InChI=1S/C24H33ClN6O2S/c1-32-11-8-27-17-2-4-18(5-3-17)30-22-12-19(20(25)13-28-22)21-14-34-23(31-21)29-16-24(15-26)6-9-33-10-7-24/h12-14,17-18,27H,2-11,16H2,1H3,(H,28,30)(H,29,31)/t17-,18-","XSDZPPRQLIZLDG-IYARVYRRSA-N",null,">10000"]
["D12528",16029,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245998","COCCNc1cc(Nc2ncc(F)c(n2)-c2cnc(N3CCCOCC3)c(c2)C#N)ccn1","InChI=1S/C23H25FN8O2/c1-33-9-5-27-20-12-18(3-4-26-20)30-23-29-15-19(24)21(31-23)17-11-16(13-25)22(28-14-17)32-6-2-8-34-10-7-32/h3-4,11-12,14-15H,2,5-10H2,1H3,(H2,26,27,29,30,31)","BMOJOUDWRXGKKN-UHFFFAOYSA-N",null,"<100",{"$nulls":4},7.5]
["D12529",16042,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246028","COCCNc1cc(Nc2ncc(F)c(n2)-c2cnc(NC3CC3)c(c2)C#N)ccn1","InChI=1S/C21H21FN8O/c1-31-7-6-25-18-9-16(4-5-24-18)29-21-27-12-17(22)19(30-21)14-8-13(10-23)20(26-11-14)28-15-2-3-15/h4-5,8-9,11-12,15H,2-3,6-7H2,1H3,(H,26,28)(H2,24,25,27,29,30)","BOBUAOKORUEONY-UHFFFAOYSA-N",null,"<100",{"$nulls":4},7.5]
["D12530",15220,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245975","COCCNc1cc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)ccn1","InChI=1S/C22H23FN8O/c1-32-9-7-26-20-11-18(2-5-25-20)29-22-27-6-3-19(30-22)16-10-15(12-24)21(28-13-16)31-8-4-17(23)14-31/h2-3,5-6,10-11,13,17H,4,7-9,14H2,1H3,(H2,25,26,27,29,30)/t17-/m0/s1","CVAKBVASVPZLKY-KRWDZBQOSA-N",null,"<15",{"$nulls":4},7.5]
["D12531",15129,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278321","COCCNc1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@H](C)O)c(c2)C#N)cn1","InChI=1S/C26H29FN8O4/c1-16(36)25(37)35-9-7-22(20(27)14-35)39-21-5-3-17(11-18(21)12-28)24-31-15-32-26(34-24)33-19-4-6-23(30-13-19)29-8-10-38-2/h3-6,11,13,15-16,20,22,36H,7-10,14H2,1-2H3,(H,29,30)(H,31,32,33,34)/t16-,20+,22-/m0/s1","ZNTAAWCMFQAOKC-AQKFKSFVSA-N",null,12]
["D12532",16878,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246022","COCCNc1ncc(cc1C#N)-c1ccnc(Nc2ccc(NC3CCN(C)CC3)nc2)n1","InChI=1S/C24H29N9O/c1-33-10-6-19(7-11-33)30-22-4-3-20(16-28-22)31-24-27-8-5-21(32-24)18-13-17(14-25)23(29-15-18)26-9-12-34-2/h3-5,8,13,15-16,19H,6-7,9-12H2,1-2H3,(H,26,29)(H,28,30)(H,27,31,32)","BMQDOYCYMGZPQX-UHFFFAOYSA-N",null,"<1000",{"$nulls":4},7.5]
["D12533",15468,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478462","COCCOCCS(=O)(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ncncc3OC)c2)CC1","InChI=1S/C27H34N8O5S/c1-38-11-12-40-13-14-41(36,37)35-9-7-34(8-10-35)18-20-5-6-29-25(15-20)33-27-31-22-4-3-21(16-23(22)32-27)26-24(39-2)17-28-19-30-26/h3-6,15-17,19H,7-14,18H2,1-2H3,(H2,29,31,32,33)","AGPZSRSWYZLSDT-UHFFFAOYSA-N",null,28.6]
["D12534",25925,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM5446","COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC","InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)","AAKJLRGGTJKAMG-UHFFFAOYSA-N",null,null,">10000"]
["D12535",3608,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565056","COCCOc1cccc(C2CCc3c(C2)cnn(-c2ncccn2)c3=O)c1C","InChI=1S/C22H24N4O3/c1-15-18(5-3-6-20(15)29-12-11-28-2)16-7-8-19-17(13-16)14-25-26(21(19)27)22-23-9-4-10-24-22/h3-6,9-10,14,16H,7-8,11-13H2,1-2H3","MAWBFZFGDYNXDN-UHFFFAOYSA-N",null,15500]
["D12536",3524,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565069","COCCOc1cnc(nc1)-n1ncc2CC(CCc2c1=O)c1cccc(OC)c1C","InChI=1S/C23H26N4O4/c1-15-19(5-4-6-21(15)30-3)16-7-8-20-17(11-16)12-26-27(22(20)28)23-24-13-18(14-25-23)31-10-9-29-2/h4-6,12-14,16H,7-11H2,1-3H3","RGWFPPWVZKZZTJ-UHFFFAOYSA-N",null,"<500"]
["D12537",32192,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43631","COCCSc1ccccc1C(=O)NCCc1ccccc1","InChI=1S/C18H21NO2S/c1-21-13-14-22-17-10-6-5-9-16(17)18(20)19-12-11-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,19,20)","HTNNUNHVTBORPU-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D12538",14843,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397638","COCC[C@H](Nc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)C","InChI=1S/C22H26N6O3/c1-28(2)22(30)17(8-9-31-3)26-18-10-15(6-7-16(18)11-23)19-12-25-20(13-24-19)27-21(29)14-4-5-14/h6-7,10,12-14,17,26H,4-5,8-9H2,1-3H3,(H,25,27,29)/t17-/m0/s1","AFECJYFFQKXJST-KRWDZBQOSA-N",null,6.31]
["D12539",15957,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397762","COCC[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)C","InChI=1S/C21H25N7O3/c1-28(2)21(30)15(6-7-31-3)26-16-8-14(10-23-17(16)9-22)18-11-25-19(12-24-18)27-20(29)13-4-5-13/h8,10-13,15,26H,4-7H2,1-3H3,(H,25,27,29)/t15-/m0/s1","LBOFVNAYNNWVKP-HNNXBMFYSA-N",null,79.4]
["D12540",16523,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397683","COCC[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)CCO","InChI=1S/C22H27N7O4/c1-29(6-7-30)22(32)16(5-8-33-2)27-17-9-15(11-24-18(17)10-23)19-12-26-20(13-25-19)28-21(31)14-3-4-14/h9,11-14,16,27,30H,3-8H2,1-2H3,(H,26,28,31)/t16-/m0/s1","SGHVNYOFFXBIFF-INIZCTEOSA-N",null,316]
["D12541",16407,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144169","COCCn1cc(Nc2cc(ccn2)-c2ccc(OCC3CC3)c(c2)C#N)cn1","InChI=1S/C22H23N5O2/c1-28-9-8-27-14-20(13-25-27)26-22-11-18(6-7-24-22)17-4-5-21(19(10-17)12-23)29-15-16-2-3-16/h4-7,10-11,13-14,16H,2-3,8-9,15H2,1H3,(H,24,26)","YJYNURQSPOYQLL-UHFFFAOYSA-N",null,220,{"$nulls":4},7.5,"30.00 C"]
["D12542",16690,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144174","COCCn1cc(Nc2cc(ccn2)-c2ccc(OCC3CCC3)c(c2)C#N)cn1","InChI=1S/C23H25N5O2/c1-29-10-9-28-15-21(14-26-28)27-23-12-19(7-8-25-23)18-5-6-22(20(11-18)13-24)30-16-17-3-2-4-17/h5-8,11-12,14-15,17H,2-4,9-10,16H2,1H3,(H,25,27)","ALNFAQPPDFVBLE-UHFFFAOYSA-N",null,490,{"$nulls":4},7.5,"30.00 C"]
["D12543",17535,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144178","COCCn1cc(Nc2cc(ccn2)-c2ccc(OCC3CCN(CC3)C(C)=O)c(c2)[N+]#[C-])cn1","InChI=1S/C26H30N6O3/c1-19(33)31-10-7-20(8-11-31)18-35-25-5-4-21(14-24(25)27-2)22-6-9-28-26(15-22)30-23-16-29-32(17-23)12-13-34-3/h4-6,9,14-17,20H,7-8,10-13,18H2,1,3H3,(H,28,30)","ABRPYEJYCROVEY-UHFFFAOYSA-N",null,5500,{"$nulls":4},7.5,"30.00 C"]
["D12544",14802,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144210","COCCn1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1","InChI=1S/C22H24N6O3/c1-29-11-8-28-15-18(14-25-28)26-22-24-7-4-20(27-22)16-2-3-21(17(12-16)13-23)31-19-5-9-30-10-6-19/h2-4,7,12,14-15,19H,5-6,8-11H2,1H3,(H,24,26,27)","TUHJNJJPZVPTPS-UHFFFAOYSA-N",null,6,{"$nulls":4},7.5,"30.00 C"]
["D12545",14865,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144166","COCCn1cc(Nc2nccc(n2)-c2ccc(OCC3CCC3)c(c2)C#N)cn1","InChI=1S/C22H24N6O2/c1-29-10-9-28-14-19(13-25-28)26-22-24-8-7-20(27-22)17-5-6-21(18(11-17)12-23)30-15-16-3-2-4-16/h5-8,11,13-14,16H,2-4,9-10,15H2,1H3,(H,24,26,27)","QVZNMWNIVGLWCE-UHFFFAOYSA-N",null,7,{"$nulls":4},7.5,"30.00 C"]
["D12546",16988,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209660","COCCn1cc(cn1)-c1cnc(N)c(c1)C(=O)Nc1ccnc(C)c1","InChI=1S/C18H20N6O2/c1-12-7-15(3-4-20-12)23-18(25)16-8-13(9-21-17(16)19)14-10-22-24(11-14)5-6-26-2/h3-4,7-11H,5-6H2,1-2H3,(H2,19,21)(H,20,23,25)","JNYKPUGUQRHMIP-UHFFFAOYSA-N",null,1200,{"$nulls":4},7.5,"30.00 C"]
["D12547",16990,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209668","COCCn1cc(cn1)-c1cnc(N)c(c1)C(=O)Nc1ccnc2ccoc12","InChI=1S/C19H18N6O3/c1-27-7-5-25-11-13(10-23-25)12-8-14(18(20)22-9-12)19(26)24-16-2-4-21-15-3-6-28-17(15)16/h2-4,6,8-11H,5,7H2,1H3,(H2,20,22)(H,21,24,26)","FIRCCCGMXJDUAZ-UHFFFAOYSA-N",null,1200,{"$nulls":4},7.5,"30.00 C"]
["D12548",15904,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209643","COCCn1cc(cn1)-c1cnc(N)c(c1)C(=O)Nc1ccncc1","InChI=1S/C17H18N6O2/c1-25-7-6-23-11-13(10-21-23)12-8-15(16(18)20-9-12)17(24)22-14-2-4-19-5-3-14/h2-5,8-11H,6-7H2,1H3,(H2,18,20)(H,19,22,24)","QKKSJPYVDJXBQN-UHFFFAOYSA-N",null,67,{"$nulls":4},7.5,"30.00 C"]
["D12549",16785,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209662","COCCn1cc(cn1)-c1cnc(N)c(c1)C(=O)Nc1ccncc1C","InChI=1S/C18H20N6O2/c1-12-8-20-4-3-16(12)23-18(25)15-7-13(9-21-17(15)19)14-10-22-24(11-14)5-6-26-2/h3-4,7-11H,5-6H2,1-2H3,(H2,19,21)(H,20,23,25)","XUWPXRANFZZJDO-UHFFFAOYSA-N",null,690,{"$nulls":4},7.5,"30.00 C"]
["D12550",16798,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209678","COCCn1cc(cn1)-c1cnc(N)c(c1)C(=O)Nc1ccncc1Cl","InChI=1S/C17H17ClN6O2/c1-26-5-4-24-10-12(8-22-24)11-6-13(16(19)21-7-11)17(25)23-15-2-3-20-9-14(15)18/h2-3,6-10H,4-5H2,1H3,(H2,19,21)(H,20,23,25)","IGJNKGGEJHEBLW-UHFFFAOYSA-N",null,740,{"$nulls":4},7.5,"30.00 C"]
["D12551",16989,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209664","COCCn1cc(cn1)-c1cnc(N)c(c1)C(=O)Nc1ccnnc1","InChI=1S/C16H17N7O2/c1-25-5-4-23-10-12(8-21-23)11-6-14(15(17)18-7-11)16(24)22-13-2-3-19-20-9-13/h2-3,6-10H,4-5H2,1H3,(H2,17,18)(H,19,22,24)","TXFDIBNKJINUPM-UHFFFAOYSA-N",null,1200,{"$nulls":4},7.5,"30.00 C"]
["D12552",15470,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278395","COC[C@@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C32H37FN8O5/c1-44-19-27(42)31(43)41-9-8-29(26(33)16-41)46-28-7-2-21(14-22(28)15-34)30-35-20-36-32(38-30)37-23-3-5-24(6-4-23)39-10-12-40(13-11-39)25-17-45-18-25/h2-7,14,20,25-27,29,42H,8-13,16-19H2,1H3,(H,35,36,37,38)/t26-,27-,29+/m1/s1","BADBSLDAFQXVRZ-QQJNOOCOSA-N",null,29]
["D12553",17122,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278396","COC[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C32H37FN8O5/c1-44-19-27(42)31(43)41-9-8-29(26(33)16-41)46-28-7-2-21(14-22(28)15-34)30-35-20-36-32(38-30)37-23-3-5-24(6-4-23)39-10-12-40(13-11-39)25-17-45-18-25/h2-7,14,20,25-27,29,42H,8-13,16-19H2,1H3,(H,35,36,37,38)/t26-,27+,29+/m1/s1","BADBSLDAFQXVRZ-XQFUHLNNSA-N",null,2000,{"$nulls":4},7]
["D12554",15599,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148130","COC[C@H]1CCCN1c1ccc(cc1C#N)-c1ccnc(Nc2ccc(NC(C)=O)nc2)n1","InChI=1S/C24H25N7O2/c1-16(32)28-23-8-6-19(14-27-23)29-24-26-10-9-21(30-24)17-5-7-22(18(12-17)13-25)31-11-3-4-20(31)15-33-2/h5-10,12,14,20H,3-4,11,15H2,1-2H3,(H,26,29,30)(H,27,28,32)/t20-/m1/s1","NWLDIIJVPIJBAB-HXUWFJFHSA-N",null,"<30",{"$nulls":4},7.5]
["D12555",11826,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42979","COCc1c(nnn1-c1ccccc1)C(=O)OC","InChI=1S/C12H13N3O3/c1-17-8-10-11(12(16)18-2)13-14-15(10)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3","PAJCZBFMGWLGCW-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D12556",31742,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43546","COCc1cc(=O)n2c(n[nH]c2n1)-c1ccccc1OC","InChI=1S/C14H14N4O3/c1-20-8-9-7-12(19)18-13(16-17-14(18)15-9)10-5-3-4-6-11(10)21-2/h3-7H,8H2,1-2H3,(H,15,17)","QBHAYGVGPIOFPZ-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D12557",4356,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66292","COCc1cc(C)nc(SCC(=O)Nc2ccc3OCOc3c2)c1C#N","InChI=1S/C18H17N3O4S/c1-11-5-12(8-23-2)14(7-19)18(20-11)26-9-17(22)21-13-3-4-15-16(6-13)25-10-24-15/h3-6H,8-10H2,1-2H3,(H,21,22)","RWXCJSFTNPIDMU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12558",3964,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66871","COCc1cc(C)nc(SCC(=O)Nc2nc(C)cs2)c1C#N","InChI=1S/C15H16N4O2S2/c1-9-4-11(6-21-3)12(5-16)14(17-9)22-8-13(20)19-15-18-10(2)7-23-15/h4,7H,6,8H2,1-3H3,(H,18,19,20)","XDCSJWYJAADCMS-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12559",31725,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43648","COCc1cc(C)nc2sc(C(=O)NN)c(-n3cccc3)c12","InChI=1S/C15H16N4O2S/c1-9-7-10(8-21-2)11-12(19-5-3-4-6-19)13(14(20)18-16)22-15(11)17-9/h3-7H,8,16H2,1-2H3,(H,18,20)","FFDJBIILJUKIRK-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D12560",14543,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478602","COCc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4(CC4)C(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C28H29F3N8O2/c1-41-16-20-14-22(34-17-33-20)19-2-3-21-23(13-19)36-26(35-21)37-24-12-18(4-7-32-24)15-38-8-10-39(11-9-38)25(40)27(5-6-27)28(29,30)31/h2-4,7,12-14,17H,5-6,8-11,15-16H2,1H3,(H2,32,35,36,37)","XRSACBQXNLZQHC-UHFFFAOYSA-N",null,3.3]
["D12561",14697,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478601","COCc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C27H30N8O2/c1-37-16-21-14-23(30-17-29-21)20-4-5-22-24(13-20)32-27(31-22)33-25-12-18(6-7-28-25)15-34-8-10-35(11-9-34)26(36)19-2-3-19/h4-7,12-14,17,19H,2-3,8-11,15-16H2,1H3,(H2,28,31,32,33)","NVPSUWNKSQTTJV-UHFFFAOYSA-N",null,4.8]
["D12562",14949,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478600","COCc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C26H27F3N8O2/c1-39-15-19-12-21(32-16-31-19)18-2-3-20-22(11-18)34-25(33-20)35-23-10-17(4-5-30-23)14-36-6-8-37(9-7-36)24(38)13-26(27,28)29/h2-5,10-12,16H,6-9,13-15H2,1H3,(H2,30,33,34,35)","DNPCOPHJBPOLLH-UHFFFAOYSA-N",null,8.3]
["D12563",16086,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478615","COCc1cc(ncn1)-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)C3CC3)[nH]c2c1",{"$nulls":3},1.7]
["D12564",14437,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478614","COCc1cc(ncn1)-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)CC(F)(F)F)[nH]c2c1",{"$nulls":3},0.7]
["D12565",15667,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478649","COCc1cc(ncn1)-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)CC(F)(F)F)[nH]c2c1Cl",{"$nulls":3},33]
["D12566",15519,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478613","COCc1cc(ncn1)-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)OC(C)(C)C)[nH]c2c1",{"$nulls":3},1.1]
["D12567",14438,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50520150","COCc1cc(ncn1)-c1ccc2nc(Nc3cc(ccn3)[C@@H](C)N3CCN(CC3)C(=O)CC(F)(F)F)[nH]c2c1","InChI=1S/C27H29F3N8O2/c1-17(37-7-9-38(10-8-37)25(39)14-27(28,29)30)18-5-6-31-24(12-18)36-26-34-21-4-3-19(11-23(21)35-26)22-13-20(15-40-2)32-16-33-22/h3-6,11-13,16-17H,7-10,14-15H2,1-2H3,(H2,31,34,35,36)/t17-/m1/s1","MZHPEELZCYWEHG-QGZVFWFLSA-N",null,0.7]
["D12568",3561,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564980","COCc1ccc(nc1)-n1ncc2CC(CCc2c1=O)c1ccc(C)cc1C","InChI=1S/C23H25N3O2/c1-15-4-7-20(16(2)10-15)18-6-8-21-19(11-18)13-25-26(23(21)27)22-9-5-17(12-24-22)14-28-3/h4-5,7,9-10,12-13,18H,6,8,11,14H2,1-3H3","DPAVDDMZJBZYIX-UHFFFAOYSA-N",null,"<500"]
["D12569",4586,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66536","COCc1cccc(NC(=O)CCc2ccccc2)c1","InChI=1S/C17H19NO2/c1-20-13-15-8-5-9-16(12-15)18-17(19)11-10-14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3,(H,18,19)","MPPKHVSKIQPZPW-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12570",3578,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565034","COCc1cccc(c1)C1CCc2c(C1)cnn(-c1ncccn1)c2=O","InChI=1S/C20H20N4O2/c1-26-13-14-4-2-5-15(10-14)16-6-7-18-17(11-16)12-23-24(19(18)25)20-21-8-3-9-22-20/h2-5,8-10,12,16H,6-7,11,13H2,1H3","QKVYGNGMQMHFBV-UHFFFAOYSA-N",null,750]
["D12571",25835,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246334","CON(C)C(=O)N1CC(C1)Oc1cc(-c2ccc(Cl)cc2)n(n1)-c1ccccc1OC","InChI=1S/C22H23ClN4O4/c1-25(30-3)22(28)26-13-17(14-26)31-21-12-19(15-8-10-16(23)11-9-15)27(24-21)18-6-4-5-7-20(18)29-2/h4-12,17H,13-14H2,1-3H3","YZIYDQGNWSHQSD-UHFFFAOYSA-N",null,14]
["D12572",4647,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66589","CON=C\\C(=C\\c1cc(cn1C)C(=O)c1ccccc1)C#N","InChI=1S/C17H15N3O2/c1-20-12-15(17(21)14-6-4-3-5-7-14)9-16(20)8-13(10-18)11-19-22-2/h3-9,11-12H,1-2H3/b13-8+,19-11?","UMUORWOQIYVWGI-REKZKEPNSA-N",{"$nulls":3},">350000"]
["D12573",4283,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66388","CONC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F","InChI=1S/C12H11F6NO4/c1-21-19-10(20)8-4-7(22-5-11(13,14)15)2-3-9(8)23-6-12(16,17)18/h2-4H,5-6H2,1H3,(H,19,20)","OAEANLUBKWZQSG-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12574",16972,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153747","CONC1=NC(=O)\\C(S1)=C\\c1ccc2ncccc2c1","InChI=1S/C14H11N3O2S/c1-19-17-14-16-13(18)12(20-14)8-9-4-5-11-10(7-9)3-2-6-15-11/h2-8H,1H3,(H,16,17,18)/b12-8-","HUBFHDCOBSCSRE-WQLSENKSSA-N",null,1090]
["D12575",15103,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278325","CO[C@@H](C)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C32H37FN8O4/c1-21(43-2)31(42)41-10-9-29(27(33)17-41)45-28-8-3-22(15-23(28)16-34)30-35-20-36-32(38-30)37-24-4-6-25(7-5-24)39-11-13-40(14-12-39)26-18-44-19-26/h3-8,15,20-21,26-27,29H,9-14,17-19H2,1-2H3,(H,35,36,37,38)/t21-,27+,29-/m0/s1","MQXUHJMGBXYBTN-PEXXQYNDSA-N",null,11]
["D12576",18592,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Oryctolagus cuniculus","BDM50016407","CO[C@@H]1[C@@H](C)CC[C@]2(O)[C@]3(C)C[C@]4(OC)O[C@]12[C@@]1(O)[C@]4(C)[C@@](O)(C(C)C)[C@@H](OC(=O)c2cccn2C)[C@@]31OC","InChI=1S/C29H43NO9/c1-16(2)26(33)21(38-20(31)18-11-10-14-30(18)6)28(37-9)22(4)15-25(36-8)23(26,5)29(28,34)27(39-25)19(35-7)17(3)12-13-24(22,27)32/h10-11,14,16-17,19,21,32-34H,12-13,15H2,1-9H3/t17-,19+,21+,22-,23+,24-,25-,26+,27+,28+,29-/m0/s1","BXLDWDWPUYJUFH-LLGQULRJSA-N",null,">10000"]
["D12577",25868,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM50326053","CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1","InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1","BMGQWWVMWDBQGC-IIFHNQTCSA-N",null,null,">10000"]
["D12578",18257,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50505542","CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F","InChI=1S/C50H56BF2N7O7/c1-30-26-31(2)59-39(30)27-33-15-14-32(60(33)51(59,52)53)16-17-41(61)54-18-20-64-22-24-66-25-23-65-21-19-56(4)40-28-42-57-37-12-8-6-10-34(37)44-45-36(29-55-49(45)62)43-35-11-7-9-13-38(35)58(47(43)46(44)57)50(3,67-42)48(40)63-5/h6-15,26-27,40,42,48H,16-25,28-29H2,1-5H3,(H,54,61)(H,55,62)/t40-,42-,48-,50+/m1/s1","OSVUGUHRKMMBSE-INMRTLOZSA-N",null,null,9]
["D12579",18258,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50505541","CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)NCCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F","InChI=1S/C49H54BF2N7O7/c1-29-25-30(2)58-39(29)26-32-14-13-31(59(32)50(58,51)52)15-16-40(60)54-18-20-64-22-24-65-23-21-63-19-17-53-36-27-41-56-37-11-7-5-9-33(37)43-44-35(28-55-48(44)61)42-34-10-6-8-12-38(34)57(46(42)45(43)56)49(3,66-41)47(36)62-4/h5-14,25-26,36,41,47,53H,15-24,27-28H2,1-4H3,(H,54,60)(H,55,61)/t36-,41-,47-,49+/m1/s1","NXSJMRCTGYTSTK-SQHKIPTKSA-N",null,null,17]
["D12580",18340,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50326054","CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1","InChI=1S/C35H30N4O5/c1-35-31(43-3)23(37(2)34(42)18-11-5-4-6-12-18)17-24(44-35)38-21-15-9-7-13-19(21)25-27-28(33(41)36-32(27)40)26-20-14-8-10-16-22(20)39(35)30(26)29(25)38/h4-16,23-24,31,33,41H,17H2,1-3H3,(H,36,40)/t23-,24-,31-,33+,35+/m1/s1","ZZSBPGIGIUFJRA-AKIDMACVSA-N",null,null,150]
["D12581",18585,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Oryctolagus cuniculus","BDM50016409","CO[C@@]12C[C@@]3(C)[C@@]4(O)CC[C@H](C)[C@@H](O)[C@]4(O1)[C@@]1(O)[C@]2(C)[C@@](O)(C(C)C)[C@@H](OC(=O)c2cccn2C)[C@@]31OC","InChI=1S/C28H41NO9/c1-15(2)25(33)20(37-19(31)17-10-9-13-29(17)6)27(36-8)21(4)14-24(35-7)22(25,5)28(27,34)26(38-24)18(30)16(3)11-12-23(21,26)32/h9-10,13,15-16,18,20,30,32-34H,11-12,14H2,1-8H3/t16-,18+,20+,21-,22+,23-,24-,25+,26+,27+,28-/m0/s1","FRLUGWKVSMWDSX-RXTGYGJESA-N",null,4500]
["D12582",18579,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Oryctolagus cuniculus","BDM50016406","CO[C@@]12C[C@@]3(C)[C@@]4(O)CC[C@H](C)[C@@H](O)[C@]4(O1)[C@]1(O)[C@@]3(O)[C@H](OC(=O)c3cccn3C)[C@](O)(C(C)C)[C@]21C","InChI=1S/C27H39NO9/c1-14(2)24(32)19(36-18(30)16-9-8-12-28(16)6)25(33)20(4)13-23(35-7)21(24,5)27(25,34)26(37-23)17(29)15(3)10-11-22(20,26)31/h8-9,12,14-15,17,19,29,31-34H,10-11,13H2,1-7H3/t15-,17+,19+,20-,21+,22-,23-,24+,25+,26+,27+/m0/s1","RDLYILQWTZZESH-DBAMKZALSA-N",null,280]
["D12583",18584,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Oryctolagus cuniculus","BDM50016412","CO[C@@]12C[C@@]3(C)[C@]4(CC[C@H](C)[C@@H](O)[C@]4(O1)[C@]1(O)[C@@]3(O)[C@H](OC(=O)c3cccn3C)[C@](O)(C(C)C)[C@]21C)OC","InChI=1S/C28H41NO9/c1-15(2)25(32)20(37-19(31)17-10-9-13-29(17)6)26(33)21(4)14-24(36-8)22(25,5)28(26,34)27(38-24)18(30)16(3)11-12-23(21,27)35-7/h9-10,13,15-16,18,20,30,32-34H,11-12,14H2,1-8H3/t16-,18+,20+,21-,22+,23-,24-,25+,26+,27+,28+/m0/s1","QGEVIXWMOQEXMH-GDJRSOFZSA-N",null,1300]
["D12584",15602,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148135","CO[C@H]1CCN(C1)c1ccc(cc1C#N)-c1ccnc(Nc2ccc(NC(C)=O)nc2)n1","InChI=1S/C23H23N7O2/c1-15(31)27-22-6-4-18(13-26-22)28-23-25-9-7-20(29-23)16-3-5-21(17(11-16)12-24)30-10-8-19(14-30)32-2/h3-7,9,11,13,19H,8,10,14H2,1-2H3,(H,25,28,29)(H,26,27,31)/t19-/m0/s1","WGXGLZXOMKXVEB-IBGZPJMESA-N",null,"<30",{"$nulls":4},7.5]
["D12585",15486,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246000","CO[C@H]1CCN(Cc2ccc(Nc3nccc(n3)-c3cnc(N4CC[C@H](F)C4)c(c3)C#N)cn2)C1","InChI=1S/C25H27FN8O/c1-35-22-6-8-33(16-22)15-21-3-2-20(13-29-21)31-25-28-7-4-23(32-25)18-10-17(11-27)24(30-12-18)34-9-5-19(26)14-34/h2-4,7,10,12-13,19,22H,5-6,8-9,14-16H2,1H3,(H,28,31,32)/t19-,22-/m0/s1","YJUPCNHDRZLWAO-UGKGYDQZSA-N",null,"<30",{"$nulls":4},7.5]
["D12586",25780,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Sarcoplasmic/endoplasmic reticulum calcium ATPase 2","Rattus norvegicus","BDBM50453612","CO[C@H]1C\\C=C\\[C@@H](O)CC(=O)O[C@H](C\\C=C\\C=C\\C[C@H](C)\\C=C1/C)\\C=C(\\C)C\\C=C\\C","InChI=1S/C27H40O4/c1-6-7-13-22(3)19-25-16-11-9-8-10-14-21(2)18-23(4)26(30-5)17-12-15-24(28)20-27(29)31-25/h6-12,15,18-19,21,24-26,28H,13-14,16-17,20H2,1-5H3/b7-6+,10-8+,11-9+,15-12+,22-19-,23-18+/t21-,24+,25+,26-/m0/s1","DVYYXLNVAXSASA-BEVCVMOBSA-N",27]
["D12587",25778,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Sarcoplasmic/endoplasmic reticulum calcium ATPase 2","Rattus norvegicus","BDBM50527071","CO[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O[C@H]2CC(=O)O[C@@H](\\C=C(\\C)C\\C=C\\C)[C@@H]3OO[C@@H](C[C@H](C)\\C=C(C)\\[C@H](C\\C=C\\2)OC)C=C3)[C@@H]1O","InChI=1S/C33H50O11/c1-7-8-10-20(2)17-27-26-14-13-24(43-44-26)16-21(3)15-22(4)25(38-5)12-9-11-23(18-29(35)41-27)40-33-31(37)32(39-6)30(36)28(19-34)42-33/h7-9,11,13-15,17,21,23-28,30-34,36-37H,10,12,16,18-19H2,1-6H3/b8-7+,11-9+,20-17-,22-15+/t21-,23-,24-,25+,26-,27+,28-,30-,31-,32+,33-/m1/s1","CQLLFSOVOHCWRU-SZIPKRNLSA-N",1.3]
["D12588",25779,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Sarcoplasmic/endoplasmic reticulum calcium ATPase 2","Rattus norvegicus","BDBM50453611","CO[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O[C@H]2CC(=O)O[C@H](C\\C=C\\C=C\\C[C@H](C)\\C=C(C)\\[C@H](C\\C=C\\2)OC)\\C=C(\\C)C\\C=C\\C)[C@@H]1O","InChI=1S/C34H52O9/c1-7-8-14-24(3)20-26-16-12-10-9-11-15-23(2)19-25(4)28(39-5)18-13-17-27(21-30(36)41-26)42-34-32(38)33(40-6)31(37)29(22-35)43-34/h7-13,17,19-20,23,26-29,31-35,37-38H,14-16,18,21-22H2,1-6H3/b8-7+,11-9+,12-10+,17-13+,24-20-,25-19+/t23-,26+,27+,28-,29+,31+,32+,33-,34+/m0/s1","QLNOFWPLTFNJPW-CMAVNLJPSA-N",11]
["D12589",4737,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66661","COc1c(Br)cc(c(OC)c1C(=O)NC(=O)Nc1nc(C)cc(C)n1)[N+]([O-])=O","InChI=1S/C16H16BrN5O6/c1-7-5-8(2)19-15(18-7)21-16(24)20-14(23)11-12(27-3)9(17)6-10(22(25)26)13(11)28-4/h5-6H,1-4H3,(H2,18,19,20,21,23,24)","GNHRUHJBHAJFOQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12590",3573,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565019","COc1c(C)cccc1C1CCc2c(C1)cnn(-c1ccccn1)c2=O","InChI=1S/C21H21N3O2/c1-14-6-5-7-17(20(14)26-2)15-9-10-18-16(12-15)13-23-24(21(18)25)19-8-3-4-11-22-19/h3-8,11,13,15H,9-10,12H2,1-2H3","WVVAOSYIOMMHEE-UHFFFAOYSA-N",null,750]
["D12591",3575,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565022","COc1c(C)cccc1C1CCc2c(C1)cnn(-c1ncccn1)c2=O","InChI=1S/C20H20N4O2/c1-13-5-3-6-16(18(13)26-2)14-7-8-17-15(11-14)12-23-24(19(17)25)20-21-9-4-10-22-20/h3-6,9-10,12,14H,7-8,11H2,1-2H3","WIAQJRJQQYCIAN-UHFFFAOYSA-N",null,750]
["D12592",18308,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478612","COc1c(C)ncnc1-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)C3(CC3)C(F)(F)F)[nH]c2c1",{"$nulls":3},2.9]
["D12593",15563,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478611","COc1c(C)ncnc1-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)C3CC3)[nH]c2c1",{"$nulls":3},1.5]
["D12594",17761,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478610","COc1c(C)ncnc1-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)CC(F)(F)F)[nH]c2c1",{"$nulls":3},2.2]
["D12595",15066,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478609","COc1c(C)ncnc1-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)OC(C)(C)C)[nH]c2c1",{"$nulls":3},10]
["D12596",25897,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM50309910","COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C","InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)","ZNOLRTPMNMPLHY-UHFFFAOYSA-N",null,null,">10000"]
["D12597",15406,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478556","COc1c(Cl)ncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C26H27ClN8O2/c1-37-23-22(29-15-30-24(23)27)18-4-5-19-20(13-18)32-26(31-19)33-21-12-16(6-7-28-21)14-34-8-10-35(11-9-34)25(36)17-2-3-17/h4-7,12-13,15,17H,2-3,8-11,14H2,1H3,(H2,28,31,32,33)","BKJHUGNSRIPYTE-UHFFFAOYSA-N",null,23]
["D12598",15350,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478554","COc1c(Cl)ncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C25H24ClF3N8O2/c1-39-22-21(31-14-32-23(22)26)16-2-3-17-18(11-16)34-24(33-17)35-19-10-15(4-5-30-19)13-36-6-8-37(9-7-36)20(38)12-25(27,28)29/h2-5,10-11,14H,6-9,12-13H2,1H3,(H2,30,33,34,35)","LGZWNHCSSVNUKP-UHFFFAOYSA-N",null,19.7]
["D12599",16234,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478687","COc1c(Cl)ncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C27H31ClN8O3/c1-27(2,3)39-26(37)36-11-9-35(10-12-36)15-17-7-8-29-21(13-17)34-25-32-19-6-5-18(14-20(19)33-25)22-23(38-4)24(28)31-16-30-22/h5-8,13-14,16H,9-12,15H2,1-4H3,(H2,29,32,33,34)","FQHSVEKECZGKOK-UHFFFAOYSA-N",null,110]
["D12600",15190,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478608","COc1c(Cl)ncnc1-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)OC(C)(C)C)[nH]c2c1",{"$nulls":3},14]
["D12601",5085,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50547328","COc1c(F)c(F)cc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N","InChI=1S/C21H17F3N4O/c1-29-21-18(24)16(23)10-14-19(21)26-12-13(11-25)20(14)28-8-6-27(7-9-28)17-5-3-2-4-15(17)22/h2-5,10,12H,6-9H2,1H3","ROCSAJYXCABZPT-UHFFFAOYSA-N",{"$nulls":3},1100]
["D12602",5083,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50547326","COc1c(F)ccc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N","InChI=1S/C21H18F2N4O/c1-28-21-17(23)7-6-15-19(21)25-13-14(12-24)20(15)27-10-8-26(9-11-27)18-5-3-2-4-16(18)22/h2-7,13H,8-11H2,1H3","AXRXVDQBZDUWIW-UHFFFAOYSA-N",{"$nulls":3},1800]
["D12603",14962,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478697","COc1c(NC2CC2)ncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C29H33N9O2/c1-40-26-25(31-17-32-27(26)33-21-5-6-21)20-4-7-22-23(15-20)35-29(34-22)36-24-14-18(8-9-30-24)16-37-10-12-38(13-11-37)28(39)19-2-3-19/h4,7-9,14-15,17,19,21H,2-3,5-6,10-13,16H2,1H3,(H,31,32,33)(H2,30,34,35,36)","WFVLJUOMIIQKPI-UHFFFAOYSA-N",null,8.9]
["D12604",14944,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478696","COc1c(NC2CC2)ncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C28H30F3N9O2/c1-42-25-24(33-16-34-26(25)35-19-3-4-19)18-2-5-20-21(13-18)37-27(36-20)38-22-12-17(6-7-32-22)15-39-8-10-40(11-9-39)23(41)14-28(29,30)31/h2,5-7,12-13,16,19H,3-4,8-11,14-15H2,1H3,(H,33,34,35)(H2,32,36,37,38)","JAIOFJYXFVXYFM-UHFFFAOYSA-N",null,8.2]
["D12605",15691,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478695","COc1c(NC2CC2)ncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C30H37N9O3/c1-30(2,3)42-29(40)39-13-11-38(12-14-39)17-19-9-10-31-24(15-19)37-28-35-22-8-5-20(16-23(22)36-28)25-26(41-4)27(33-18-32-25)34-21-6-7-21/h5,8-10,15-16,18,21H,6-7,11-14,17H2,1-4H3,(H,32,33,34)(H2,31,35,36,37)","BQMXGAJCBDWWQI-UHFFFAOYSA-N",null,35]
["D12606",14939,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478842","COc1c(NC2CCC2)ncnc1-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)C3CC3)[nH]c2c1",{"$nulls":3},8.07]
["D12607",14947,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478841","COc1c(NC2CCC2)ncnc1-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)CC(F)(F)F)[nH]c2c1",{"$nulls":3},8.27]
["D12608",15867,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478716","COc1c(NC2CCC2)ncnc1-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)OC(C)(C)C)[nH]c2c1",{"$nulls":3},61]
["D12609",14958,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478700","COc1c(NCC2CC2)ncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C30H35N9O2/c1-41-27-26(33-18-34-28(27)32-16-19-2-3-19)22-6-7-23-24(15-22)36-30(35-23)37-25-14-20(8-9-31-25)17-38-10-12-39(13-11-38)29(40)21-4-5-21/h6-9,14-15,18-19,21H,2-5,10-13,16-17H2,1H3,(H,32,33,34)(H2,31,35,36,37)","PKRRATGQTAIITP-UHFFFAOYSA-N",null,8.7]
["D12610",14758,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478699","COc1c(NCC2CC2)ncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C29H32F3N9O2/c1-43-26-25(35-17-36-27(26)34-15-18-2-3-18)20-4-5-21-22(13-20)38-28(37-21)39-23-12-19(6-7-33-23)16-40-8-10-41(11-9-40)24(42)14-29(30,31)32/h4-7,12-13,17-18H,2-3,8-11,14-16H2,1H3,(H,34,35,36)(H2,33,37,38,39)","DJDNRLPPOVPQMS-UHFFFAOYSA-N",null,5.4]
["D12611",15031,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478698","COc1c(NCC2CC2)ncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C31H39N9O3/c1-31(2,3)43-30(41)40-13-11-39(12-14-40)18-21-9-10-32-25(15-21)38-29-36-23-8-7-22(16-24(23)37-29)26-27(42-4)28(35-19-34-26)33-17-20-5-6-20/h7-10,15-16,19-20H,5-6,11-14,17-18H2,1-4H3,(H,33,34,35)(H2,32,36,37,38)","RVJRURLVNFHXID-UHFFFAOYSA-N",null,9.2]
["D12612",16634,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478702","COc1c(NCC2CC2)ncnc1-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)C3CC3)[nH]c2c1",{"$nulls":3},2]
["D12613",18278,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478703","COc1c(NCC2CC2)ncnc1-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)CC(F)(F)F)[nH]c2c1",{"$nulls":3},2.4]
["D12614",14918,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478701","COc1c(NCC2CC2)ncnc1-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)OC(C)(C)C)[nH]c2c1",{"$nulls":3},8]
["D12615",12051,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43182","COc1c(O)c2c(oc(cc2=O)-c2c(O)cccc2O)c(OC)c1OC","InChI=1S/C18H16O8/c1-23-16-14(22)13-10(21)7-11(12-8(19)5-4-6-9(12)20)26-15(13)17(24-2)18(16)25-3/h4-7,19-20,22H,1-3H3","PPIOPQQHBZSDQX-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D12616",15856,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478566","COc1c(OCC2CC2)ncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C29H31F3N8O3/c1-42-26-25(34-17-35-27(26)43-16-18-2-3-18)20-4-5-21-22(13-20)37-28(36-21)38-23-12-19(6-7-33-23)15-39-8-10-40(11-9-39)24(41)14-29(30,31)32/h4-7,12-13,17-18H,2-3,8-11,14-16H2,1H3,(H2,33,36,37,38)","XDBUZVFWZDKMER-UHFFFAOYSA-N",null,58.4]
["D12617",16447,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478565","COc1c(OCC2CC2)ncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C31H38N8O4/c1-31(2,3)43-30(40)39-13-11-38(12-14-39)17-21-9-10-32-25(15-21)37-29-35-23-8-7-22(16-24(23)36-29)26-27(41-4)28(34-19-33-26)42-18-20-5-6-20/h7-10,15-16,19-20H,5-6,11-14,17-18H2,1-4H3,(H2,32,35,36,37)","JAFBPAFGAODKRU-UHFFFAOYSA-N",null,255]
["D12618",15821,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478705","COc1c(ncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4(CC4)C(F)(F)F)ccn3)[nH]c2c1)N(C)CC1CC1","InChI=1S/C32H36F3N9O2/c1-42(17-20-3-4-20)28-27(46-2)26(37-19-38-28)22-5-6-23-24(16-22)40-30(39-23)41-25-15-21(7-10-36-25)18-43-11-13-44(14-12-43)29(45)31(8-9-31)32(33,34)35/h5-7,10,15-16,19-20H,3-4,8-9,11-14,17-18H2,1-2H3,(H2,36,39,40,41)","GSMIKJZWGGFNJQ-UHFFFAOYSA-N",null,52]
["D12619",15276,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478689","COc1c(ncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1)N(C)C","InChI=1S/C28H33N9O2/c1-35(2)26-25(39-3)24(30-17-31-26)20-6-7-21-22(15-20)33-28(32-21)34-23-14-18(8-9-29-23)16-36-10-12-37(13-11-36)27(38)19-4-5-19/h6-9,14-15,17,19H,4-5,10-13,16H2,1-3H3,(H2,29,32,33,34)","KATXXMOCCGETSV-UHFFFAOYSA-N",null,16]
["D12620",15567,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478704","COc1c(ncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1)N(C)CC1CC1","InChI=1S/C31H37N9O2/c1-38(17-20-3-4-20)29-28(42-2)27(33-19-34-29)23-7-8-24-25(16-23)36-31(35-24)37-26-15-21(9-10-32-26)18-39-11-13-40(14-12-39)30(41)22-5-6-22/h7-10,15-16,19-20,22H,3-6,11-14,17-18H2,1-2H3,(H2,32,35,36,37)","DLZYQULOVAVZIB-UHFFFAOYSA-N",null,30]
["D12621",15162,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478690","COc1c(ncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1)N(C)C","InChI=1S/C27H30F3N9O2/c1-37(2)25-24(41-3)23(32-16-33-25)18-4-5-19-20(13-18)35-26(34-19)36-21-12-17(6-7-31-21)15-38-8-10-39(11-9-38)22(40)14-27(28,29)30/h4-7,12-13,16H,8-11,14-15H2,1-3H3,(H2,31,34,35,36)","CQJIPYQMWIIBBS-UHFFFAOYSA-N",null,13]
["D12622",15869,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478706","COc1c(ncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1)N(C)CC1CC1","InChI=1S/C30H34F3N9O2/c1-40(16-19-3-4-19)28-27(44-2)26(35-18-36-28)21-5-6-22-23(14-21)38-29(37-22)39-24-13-20(7-8-34-24)17-41-9-11-42(12-10-41)25(43)15-30(31,32)33/h5-8,13-14,18-19H,3-4,9-12,15-17H2,1-2H3,(H2,34,37,38,39)","JNHUJGXGPPZMNY-UHFFFAOYSA-N",null,62]
["D12623",15819,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478688","COc1c(ncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1)N(C)C","InChI=1S/C29H37N9O3/c1-29(2,3)41-28(39)38-13-11-37(12-14-38)17-19-9-10-30-23(15-19)35-27-33-21-8-7-20(16-22(21)34-27)24-25(40-6)26(36(4)5)32-18-31-24/h7-10,15-16,18H,11-14,17H2,1-6H3,(H2,30,33,34,35)","CIEBGWSVQSXLGM-UHFFFAOYSA-N",null,52]
["D12624",14754,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478694","COc1c(ncnc1-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)C3(CC3)C(F)(F)F)[nH]c2c1)N(C)C",{"$nulls":3},5.2]
["D12625",14782,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478692","COc1c(ncnc1-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)C3CC3)[nH]c2c1)N(C)C",{"$nulls":3},5.9]
["D12626",15518,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478715","COc1c(ncnc1-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)C3CC3)[nH]c2c1)N1CC(F)(F)C1",{"$nulls":3},1.1]
["D12627",14992,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478708","COc1c(ncnc1-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)C3CC3)[nH]c2c1)N1CCC1",{"$nulls":3},1]
["D12628",15538,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478711","COc1c(ncnc1-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)C3CC3)[nH]c2c1)N1CCCC1",{"$nulls":3},1.3]
["D12629",14757,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478693","COc1c(ncnc1-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)CC(F)(F)F)[nH]c2c1)N(C)C",{"$nulls":3},5.4]
["D12630",16076,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478714","COc1c(ncnc1-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)CC(F)(F)F)[nH]c2c1)N1CC(F)(F)C1",{"$nulls":3},1.6]
["D12631",15554,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478709","COc1c(ncnc1-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)CC(F)(F)F)[nH]c2c1)N1CCC1",{"$nulls":3},1.4]
["D12632",15555,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478712","COc1c(ncnc1-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)CC(F)(F)F)[nH]c2c1)N1CCCC1",{"$nulls":3},1.4]
["D12633",14833,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478713","COc1c(ncnc1-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)OC(C)(C)C)[nH]c2c1)C1CC(F)(F)C1",{"$nulls":3},6.1]
["D12634",15380,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478691","COc1c(ncnc1-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)OC(C)(C)C)[nH]c2c1)N(C)C",{"$nulls":3},21]
["D12635",18289,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478707","COc1c(ncnc1-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)OC(C)(C)C)[nH]c2c1)N1CCC1",{"$nulls":3},2.6]
["D12636",14942,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478710","COc1c(ncnc1-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)OC(C)(C)C)[nH]c2c1)N1CCCC1",{"$nulls":3},8.2]
["D12637",25675,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50473100","COc1c2C[n+]3ccc(NCc4ccc(CNc5cc[n+](Cc1ccc2)c1ccccc51)cc4)c1ccccc31","InChI=1S/C35H30N4O/c1-40-35-27-7-6-8-28(35)24-39-20-18-32(30-10-3-5-12-34(30)39)37-22-26-15-13-25(14-16-26)21-36-31-17-19-38(23-27)33-11-4-2-9-29(31)33/h2-20H,21-24H2,1H3/p+2","MEHJJTIFAFXFIT-UHFFFAOYSA-P",null,25]
["D12638",3572,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565018","COc1cc(C)ccc1C1CCc2c(C1)cnn(-c1ccccn1)c2=O","InChI=1S/C21H21N3O2/c1-14-6-8-17(19(11-14)26-2)15-7-9-18-16(12-15)13-23-24(21(18)25)20-5-3-4-10-22-20/h3-6,8,10-11,13,15H,7,9,12H2,1-2H3","AEBWFLQZTICYIE-UHFFFAOYSA-N",null,750]
["D12639",3574,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565021","COc1cc(C)ccc1C1CCc2c(C1)cnn(-c1ncccn1)c2=O","InChI=1S/C20H20N4O2/c1-13-4-6-16(18(10-13)26-2)14-5-7-17-15(11-14)12-23-24(19(17)25)20-21-8-3-9-22-20/h3-4,6,8-10,12,14H,5,7,11H2,1-2H3","QUOIGHFQAHGXNE-UHFFFAOYSA-N",null,750]
["D12640",3510,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565048","COc1cc(C2CCc3c(C2)cnn(-c2ncccn2)c3=O)c(C)cc1C","InChI=1S/C21H22N4O2/c1-13-9-14(2)19(27-3)11-18(13)15-5-6-17-16(10-15)12-24-25(20(17)26)21-22-7-4-8-23-21/h4,7-9,11-12,15H,5-6,10H2,1-3H3","BVRDSKZDFQQENR-UHFFFAOYSA-N",null,"<500"]
["D12641",12295,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM39711","COc1cc(C=C(C(=O)c2cccs2)c2nc3ccccc3[nH]2)cc(OC)c1O","InChI=1S/C22H18N2O4S/c1-27-17-11-13(12-18(28-2)21(17)26)10-14(20(25)19-8-5-9-29-19)22-23-15-6-3-4-7-16(15)24-22/h3-12,26H,1-2H3,(H,23,24)","MRJPNJSUWJVJEX-UHFFFAOYSA-N",null,">35862"]
["D12642",12309,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM62958","COc1cc(C=NN=C(Nc2ccc(C)cc2)c2nc3ccccc3s2)ccc1O","InChI=1S/C23H20N4O2S/c1-15-7-10-17(11-8-15)25-22(23-26-18-5-3-4-6-21(18)30-23)27-24-14-16-9-12-19(28)20(13-16)29-2/h3-14,28H,1-2H3,(H,25,27)","MJFBWLLCCXNNPW-UHFFFAOYSA-N",null,">35867"]
["D12643",12090,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87291","COc1cc(C=NNC(N)=S)cc(Br)c1OCc1ccccc1F","InChI=1S/C16H15BrFN3O2S/c1-22-14-7-10(8-20-21-16(19)24)6-12(17)15(14)23-9-11-4-2-3-5-13(11)18/h2-8H,9H2,1H3,(H3,19,21,24)","DWEHQOULYWLDKU-UHFFFAOYSA-N",null,">3986"]
["D12644",4000,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66903","COc1cc(CN2CCCC(C2)C(=O)Nc2ccccc2Oc2cccnc2)ccc1F","InChI=1S/C25H26FN3O3/c1-31-24-14-18(10-11-21(24)26)16-29-13-5-6-19(17-29)25(30)28-22-8-2-3-9-23(22)32-20-7-4-12-27-15-20/h2-4,7-12,14-15,19H,5-6,13,16-17H2,1H3,(H,28,30)","AAKSNWHRVQHZEW-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12645",26043,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1/alpha-1B/alpha-2/delta-1","Rattus norvegicus","BDBM50481869","COc1cc(CN2CCN(CC2)C(=O)CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)cc(OC)c1OC","InChI=1S/C32H38F2N2O4/c1-38-29-20-23(21-30(39-2)32(29)40-3)22-35-16-18-36(19-17-35)31(37)7-5-4-6-28(24-8-12-26(33)13-9-24)25-10-14-27(34)15-11-25/h8-15,20-21,28H,4-7,16-19,22H2,1-3H3","KMJUKMWZQZRWHI-UHFFFAOYSA-N",null,190]
["D12646",4349,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM39026","COc1cc(CN2CCN(CC2)c2cc(C)ccc2C)ccc1O","InChI=1S/C20H26N2O2/c1-15-4-5-16(2)18(12-15)22-10-8-21(9-11-22)14-17-6-7-19(23)20(13-17)24-3/h4-7,12-13,23H,8-11,14H2,1-3H3","YTCCDDUVWURUKP-UHFFFAOYSA-N",{"$nulls":3},98590]
["D12647",3990,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66894","COc1cc(CN2CCNC(=O)C2CC(=O)N(C)CCCN2CCOCC2)cc(OC)c1","InChI=1S/C23H36N4O5/c1-25(6-4-7-26-9-11-32-12-10-26)22(28)16-21-23(29)24-5-8-27(21)17-18-13-19(30-2)15-20(14-18)31-3/h13-15,21H,4-12,16-17H2,1-3H3,(H,24,29)","VNLBLENXGZDRFN-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12648",4714,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66643","COc1cc(CN2CCc3ccccc3C2)ccc1O","InChI=1S/C17H19NO2/c1-20-17-10-13(6-7-16(17)19)11-18-9-8-14-4-2-3-5-15(14)12-18/h2-7,10,19H,8-9,11-12H2,1H3","BENCJXKELSLPQJ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12649",11768,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87255","COc1cc(CNC(C)=C2C(=O)NC(=O)N(CC=C)C2=O)cc(OC)c1","InChI=1S/C18H21N3O5/c1-5-6-21-17(23)15(16(22)20-18(21)24)11(2)19-10-12-7-13(25-3)9-14(8-12)26-4/h5,7-9,19H,1,6,10H2,2-4H3,(H,20,22,24)","AHTJFPVCZKLMIE-UHFFFAOYSA-N",null,1016]
["D12650",4971,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM196939","COc1cc(CP(O)(=O)CC[C@@H](N)C(O)=O)cc(Cl)c1OCC(O)=O","InChI=1S/C14H19ClNO8P/c1-23-11-5-8(4-9(15)13(11)24-6-12(17)18)7-25(21,22)3-2-10(16)14(19)20/h4-5,10H,2-3,6-7,16H2,1H3,(H,17,18)(H,19,20)(H,21,22)/t10-/m1/s1","POSMNGDKSNBSGR-SNVBAGLBSA-N",{"$nulls":3},">300000"]
["D12651",4970,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM196938","COc1cc(CP(O)(=O)CC[C@@H](N)C(O)=O)cc(F)c1OCC(O)=O","InChI=1S/C14H19FNO8P/c1-23-11-5-8(4-9(15)13(11)24-6-12(17)18)7-25(21,22)3-2-10(16)14(19)20/h4-5,10H,2-3,6-7,16H2,1H3,(H,17,18)(H,19,20)(H,21,22)/t10-/m1/s1","HLWOFNYCURCWQU-SNVBAGLBSA-N",{"$nulls":3},232000]
["D12652",25737,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50470934","COc1cc(C[n+]2c(C)cc(NCCCCCCCCCCNc3cc(C)[n+](Cc4cc(OC)cc(OC)c4)c4ccccc34)c3ccccc23)cc(OC)c1","InChI=1S/C48H58N4O4/c1-35-25-45(43-19-13-15-21-47(43)51(35)33-37-27-39(53-3)31-40(28-37)54-4)49-23-17-11-9-7-8-10-12-18-24-50-46-26-36(2)52(48-22-16-14-20-44(46)48)34-38-29-41(55-5)32-42(30-38)56-6/h13-16,19-22,25-32H,7-12,17-18,23-24,33-34H2,1-6H3/p+2","QFQGHXHFZFJLBQ-UHFFFAOYSA-P",null,1700]
["D12653",25727,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50470940","COc1cc(C[n+]2c(C)cc(NCCCCCCCCCCNc3cc(C)nc4ccccc34)c3ccccc23)cc(OC)c1","InChI=1S/C39H48N4O2/c1-29-23-37(34-17-11-13-19-36(34)42-29)40-21-15-9-7-5-6-8-10-16-22-41-38-24-30(2)43(39-20-14-12-18-35(38)39)28-31-25-32(44-3)27-33(26-31)45-4/h11-14,17-20,23-27H,5-10,15-16,21-22,28H2,1-4H3,(H,40,42)/p+1","GDERYWIOGUTQMC-UHFFFAOYSA-O",null,750]
["D12654",4502,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66469","COc1cc(Cl)c(C)cc1NC(=O)CSc1cc(Cl)ccc1Cl","InChI=1S/C16H14Cl3NO2S/c1-9-5-13(14(22-2)7-12(9)19)20-16(21)8-23-15-6-10(17)3-4-11(15)18/h3-7H,8H2,1-2H3,(H,20,21)","IYOMEVICVFKXQF-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12655",5036,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50283489","COc1cc(F)c(-c2c(C)nn3c(cc(C)nc23)C(F)(F)F)c(F)c1","InChI=1S/C16H12F5N3O/c1-7-4-12(16(19,20)21)24-15(22-7)13(8(2)23-24)14-10(17)5-9(25-3)6-11(14)18/h4-6H,1-3H3","BMRIPGPHKZAYRU-UHFFFAOYSA-N",{"$nulls":3},600]
["D12656",4912,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50531684","COc1cc(F)c(CCCNc2cc(Cl)ccc2-n2cncn2)cc1OC","InChI=1S/C19H20ClFN4O2/c1-26-18-8-13(15(21)10-19(18)27-2)4-3-7-23-16-9-14(20)5-6-17(16)25-12-22-11-24-25/h5-6,8-12,23H,3-4,7H2,1-2H3","BTTUVWXWPWQYAH-UHFFFAOYSA-N",null,">10000"]
["D12657",4856,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50531678","COc1cc(F)c(CCCNc2cc(OC(F)(F)F)ccc2-n2cncn2)cc1OC","InChI=1S/C20H20F4N4O3/c1-29-18-8-13(15(21)10-19(18)30-2)4-3-7-26-16-9-14(31-20(22,23)24)5-6-17(16)28-12-25-11-27-28/h5-6,8-12,26H,3-4,7H2,1-2H3","DUSNTKULOXASFF-UHFFFAOYSA-N",null,1300]
["D12658",4907,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50531685","COc1cc(F)c(OCCNc2cc(Cl)ccc2-n2cncn2)cc1OC","InChI=1S/C18H18ClFN4O3/c1-25-17-8-13(20)16(9-18(17)26-2)27-6-5-22-14-7-12(19)3-4-15(14)24-11-21-10-23-24/h3-4,7-11,22H,5-6H2,1-2H3","IXKGKLRRDBFQDW-UHFFFAOYSA-N",null,">10000"]
["D12659",4849,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50531689","COc1cc(F)c(OCCNc2cc(OC(F)(F)F)ccc2-n2cncn2)cc1OC","InChI=1S/C19H18F4N4O4/c1-28-17-8-13(20)16(9-18(17)29-2)30-6-5-25-14-7-12(31-19(21,22)23)3-4-15(14)27-11-24-10-26-27/h3-4,7-11,25H,5-6H2,1-2H3","PYYIGCOYKBWLCG-UHFFFAOYSA-N",null,1175]
["D12660",5023,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50283478","COc1cc(F)c(cc1Cl)-c1c(C)nn2c(cc(C)nc12)C(F)(F)F","InChI=1S/C16H12ClF4N3O/c1-7-4-13(16(19,20)21)24-15(22-7)14(8(2)23-24)9-5-10(17)12(25-3)6-11(9)18/h4-6H,1-3H3","CEQAJYFDDUETNM-UHFFFAOYSA-N",{"$nulls":3},479]
["D12661",5031,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50283490","COc1cc(F)c(cc1F)-c1c(C)nn2c(cc(C)nc12)C(F)(F)F","InChI=1S/C16H12F5N3O/c1-7-4-13(16(19,20)21)24-15(22-7)14(8(2)23-24)9-5-11(18)12(25-3)6-10(9)17/h4-6H,1-3H3","APUPLOWMTWVDLP-UHFFFAOYSA-N",{"$nulls":3},1023]
["D12662",5084,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50547327","COc1cc(F)cc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N","InChI=1S/C21H18F2N4O/c1-28-19-11-15(22)10-16-20(19)25-13-14(12-24)21(16)27-8-6-26(7-9-27)18-5-3-2-4-17(18)23/h2-5,10-11,13H,6-9H2,1H3","ILGOICKJVGZODR-UHFFFAOYSA-N",{"$nulls":3},1400]
["D12663",15714,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379368","COc1cc(F)ccc1-c1nc2ncc(Br)c(NCCCNC(=O)C3CCC3)c2[nH]1","InChI=1S/C21H23BrFN5O2/c1-30-16-10-13(23)6-7-14(16)19-27-18-17(15(22)11-26-20(18)28-19)24-8-3-9-25-21(29)12-4-2-5-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,25,29)(H2,24,26,27,28)","RYGAYBGVUQJRJA-UHFFFAOYSA-N",null,38]
["D12664",4373,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66305","COc1cc(NC(=O)Nc2ccccc2)c(cc1OC)C(O)=O","InChI=1S/C16H16N2O5/c1-22-13-8-11(15(19)20)12(9-14(13)23-2)18-16(21)17-10-6-4-3-5-7-10/h3-9H,1-2H3,(H,19,20)(H2,17,18,21)","RXKADNGKBUOGSH-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12665",31769,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43569","COc1cc(NC(=O)c2cc(on2)-c2ccco2)c(OC)cc1Cl","InChI=1S/C16H13ClN2O5/c1-21-13-7-10(14(22-2)6-9(13)17)18-16(20)11-8-15(24-19-11)12-4-3-5-23-12/h3-8H,1-2H3,(H,18,20)","CWMTUEXMOZWHSH-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D12666",31802,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43599","COc1cc(NC(=O)c2cc(on2)C(C)C)c(OC)cc1Cl","InChI=1S/C15H17ClN2O4/c1-8(2)12-7-11(18-22-12)15(19)17-10-6-13(20-3)9(16)5-14(10)21-4/h5-8H,1-4H3,(H,17,19)","NQKWRELILZFNQJ-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D12667",32163,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43604","COc1cc(NC(=O)c2cc(on2)C2CC2)c(OC)cc1Cl","InChI=1S/C15H15ClN2O4/c1-20-13-6-10(14(21-2)5-9(13)16)17-15(19)11-7-12(22-18-11)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,17,19)","FMWABCRYNLCXOJ-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D12668",4793,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66712","COc1cc(NC(=O)c2ccc(C)cc2C)ccc1NC(=O)c1cc2ccccc2o1","InChI=1S/C25H22N2O4/c1-15-8-10-19(16(2)12-15)24(28)26-18-9-11-20(22(14-18)30-3)27-25(29)23-13-17-6-4-5-7-21(17)31-23/h4-14H,1-3H3,(H,26,28)(H,27,29)","NMIYHGKZUGTIJZ-UHFFFAOYSA-N",{"$nulls":3},26690]
["D12669",4285,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66390","COc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1-c1cc2ccccc2oc1=O","InChI=1S/C23H15Cl2NO4/c1-29-21-12-15(26-22(27)17-8-6-14(24)11-19(17)25)7-9-16(21)18-10-13-4-2-3-5-20(13)30-23(18)28/h2-12H,1H3,(H,26,27)","CPSFTNZKWJWHAO-UHFFFAOYSA-N",{"$nulls":3},102100]
["D12670",3854,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66780","COc1cc(NC(=O)c2cccc(C)c2)ccc1NC(=O)c1cc2ccccc2o1","InChI=1S/C24H20N2O4/c1-15-6-5-8-17(12-15)23(27)25-18-10-11-19(21(14-18)29-2)26-24(28)22-13-16-7-3-4-9-20(16)30-22/h3-14H,1-2H3,(H,25,27)(H,26,28)","CCNCCGSRFQMVNQ-UHFFFAOYSA-N",{"$nulls":3},59420]
["D12671",32376,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50390658","COc1cc(NC(=O)c2cccc(O)c2)c(cc1OC)C(O)=O","InChI=1S/C16H15NO6/c1-22-13-7-11(16(20)21)12(8-14(13)23-2)17-15(19)9-4-3-5-10(18)6-9/h3-8,18H,1-2H3,(H,17,19)(H,20,21)","HJZFMYQOUXCRHT-UHFFFAOYSA-N",null,50900]
["D12672",4779,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66698","COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Cc1ccc(Br)cc1","InChI=1S/C23H21BrN2O4/c1-29-20-14-19(26-23(28)16-6-4-3-5-7-16)21(30-2)13-18(20)25-22(27)12-15-8-10-17(24)11-9-15/h3-11,13-14H,12H2,1-2H3,(H,25,27)(H,26,28)","XSLSGOLVFOCOGT-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12673",3805,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM61735","COc1cc(NC(=O)c2ccccc2F)ccc1NC(=O)c1cc2ccccc2o1","InChI=1S/C23H17FN2O4/c1-29-20-13-15(25-22(27)16-7-3-4-8-17(16)24)10-11-18(20)26-23(28)21-12-14-6-2-5-9-19(14)30-21/h2-13H,1H3,(H,25,27)(H,26,28)","KTZWEMWLWVEZTN-UHFFFAOYSA-N",{"$nulls":3},48730]
["D12674",4942,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM50293721","COc1cc(NC(=O)c2ccccn2)ccc1Cl","InChI=1S/C13H11ClN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)","ARYUXFNGXHNNDM-UHFFFAOYSA-N",{"$nulls":3},445000]
["D12675",4640,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM61697","COc1cc(NC(=O)c2cccs2)ccc1NC(=O)c1cc2ccccc2o1","InChI=1S/C21H16N2O4S/c1-26-17-12-14(22-21(25)19-7-4-10-28-19)8-9-15(17)23-20(24)18-11-13-5-2-3-6-16(13)27-18/h2-12H,1H3,(H,22,25)(H,23,24)","ZLFAPJWEWBZKED-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12676",3914,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66830","COc1cc(NC(=O)c2nn(C)c-3c2CS(=O)(=O)c2ccccc-32)cc(OC)c1","InChI=1S/C20H19N3O5S/c1-23-19-15-6-4-5-7-17(15)29(25,26)11-16(19)18(22-23)20(24)21-12-8-13(27-2)10-14(9-12)28-3/h4-10H,11H2,1-3H3,(H,21,24)","QEUCVXVLZLYRIM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12677",4203,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67086","COc1cc(NS(=O)(=O)c2cc(ccc2OC)C(=O)NCCc2ccccn2)cc(OC)c1","InChI=1S/C23H25N3O6S/c1-30-19-13-18(14-20(15-19)31-2)26-33(28,29)22-12-16(7-8-21(22)32-3)23(27)25-11-9-17-6-4-5-10-24-17/h4-8,10,12-15,26H,9,11H2,1-3H3,(H,25,27)","FADFAGHPTDGHCK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12678",11765,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87351","COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12","InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)","XCPGHVQEEXUHNC-UHFFFAOYSA-N",null,">442.94"]
["D12679",25926,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM4552","COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl","InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)","UBPYILGKFZZVDX-UHFFFAOYSA-N",null,null,">10000"]
["D12680",17283,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570828","COc1cc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(c2)C#N)cnc1C(=O)N(C)C","InChI=1S/C25H26N6O4/c1-31(2)25(32)24-22(33-3)11-18(14-27-24)30-23-12-20(28-15-29-23)16-4-5-21(17(10-16)13-26)35-19-6-8-34-9-7-19/h4-5,10-12,14-15,19H,6-9H2,1-3H3,(H,28,29,30)","RAFUJJDHOJCDTM-UHFFFAOYSA-N",null,3000]
["D12681",16732,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570831","COc1cc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(c2)C#N)cnc1C1CCN(C)CC1","InChI=1S/C28H32N6O3/c1-34-9-5-19(6-10-34)28-26(35-2)14-22(17-30-28)33-27-15-24(31-18-32-27)20-3-4-25(21(13-20)16-29)37-23-7-11-36-12-8-23/h3-4,13-15,17-19,23H,5-12H2,1-2H3,(H,31,32,33)","MBMXQMPCISCAST-UHFFFAOYSA-N",null,550]
["D12682",16731,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570830","COc1cc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(c2)C#N)cnc1N1CCN(C)CC1","InChI=1S/C27H31N7O3/c1-33-7-9-34(10-8-33)27-25(35-2)14-21(17-29-27)32-26-15-23(30-18-31-26)19-3-4-24(20(13-19)16-28)37-22-5-11-36-12-6-22/h3-4,13-15,17-18,22H,5-12H2,1-2H3,(H,30,31,32)","RHAHFLIAPLIWKN-UHFFFAOYSA-N",null,550]
["D12683",16128,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570827","COc1cc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(c2)C#N)ncc1C(=O)N(C)C","InChI=1S/C25H26N6O4/c1-31(2)25(32)19-14-27-24(12-22(19)33-3)30-23-11-20(28-15-29-23)16-4-5-21(17(10-16)13-26)35-18-6-8-34-9-7-18/h4-5,10-12,14-15,18H,6-9H2,1-3H3,(H,27,28,29,30)","XZKVACVCGPETCD-UHFFFAOYSA-N",null,"<100"]
["D12684",16130,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570832","COc1cc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(c2)C#N)ncc1C1CCN(C)CC1","InChI=1S/C28H32N6O3/c1-34-9-5-19(6-10-34)23-17-30-28(15-26(23)35-2)33-27-14-24(31-18-32-27)20-3-4-25(21(13-20)16-29)37-22-7-11-36-12-8-22/h3-4,13-15,17-19,22H,5-12H2,1-2H3,(H,30,31,32,33)","OISIDUVRJSXCGD-UHFFFAOYSA-N",null,"<100"]
["D12685",16129,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570829","COc1cc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(c2)C#N)ncc1N1CCN(C)CC1","InChI=1S/C27H31N7O3/c1-33-7-9-34(10-8-33)23-17-29-27(15-25(23)35-2)32-26-14-22(30-18-31-26)19-3-4-24(20(13-19)16-28)37-21-5-11-36-12-6-21/h3-4,13-15,17-18,21H,5-12H2,1-2H3,(H,29,30,31,32)","WUUSTFCZHDYSJN-UHFFFAOYSA-N",null,"<100"]
["D12686",25923,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM60665","COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC","InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30)","NHHQJBCNYHBUSI-UHFFFAOYSA-N",null,null,">10000"]
["D12687",16327,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50083641","COc1cc(Nc2nccc(n2)-c2ccc(NCCN)nc2)cc(OC)c1OC","InChI=1S/C20H24N6O3/c1-27-16-10-14(11-17(28-2)19(16)29-3)25-20-23-8-6-15(26-20)13-4-5-18(24-12-13)22-9-7-21/h4-6,8,10-12H,7,9,21H2,1-3H3,(H,22,24)(H,23,25,26)","QNULKTUETCUJKC-UHFFFAOYSA-N",null,160]
["D12688",16316,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278177","COc1cc(Nc2ncnc(n2)-c2ccc(N3C[C@H](O)CCC3=O)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C29H32N8O4/c1-40-26-13-21(3-6-25(26)36-10-8-35(9-11-36)22-16-41-17-22)33-29-32-18-31-28(34-29)19-2-5-24(20(12-19)14-30)37-15-23(38)4-7-27(37)39/h2-3,5-6,12-13,18,22-23,38H,4,7-11,15-17H2,1H3,(H,31,32,33,34)/t23-/m1/s1","RQXYAXKBYIWIHX-HSZRJFAPSA-N",null,152]
["D12689",17073,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278059","COc1cc(Nc2ncnc(n2)-c2ccc(OC3CCN(CC3)C(=O)[C@H](C)O)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C32H38N8O5/c1-21(41)31(42)40-9-7-26(8-10-40)45-28-6-3-22(15-23(28)17-33)30-34-20-35-32(37-30)36-24-4-5-27(29(16-24)43-2)39-13-11-38(12-14-39)25-18-44-19-25/h3-6,15-16,20-21,25-26,41H,7-14,18-19H2,1-2H3,(H,34,35,36,37)/t21-/m0/s1","LZHYQRYIOWHBGM-NRFANRHFSA-N",null,2000,{"$nulls":4},7]
["D12690",17119,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277839","COc1cc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cc(F)c1N1CCN(CC1)C1COC1","InChI=1S/C29H32FN7O4/c1-38-26-14-21(13-24(30)27(26)37-8-6-36(7-9-37)22-16-40-17-22)34-29-33-18-32-28(35-29)19-2-3-25(20(12-19)15-31)41-23-4-10-39-11-5-23/h2-3,12-14,18,22-23H,4-11,16-17H2,1H3,(H,32,33,34,35)","LFMSUPFATQZRJB-UHFFFAOYSA-N",null,2000,{"$nulls":4},7]
["D12691",14982,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277802","COc1cc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cc(OC)c1OC","InChI=1S/C24H25N5O5/c1-30-20-11-17(12-21(31-2)22(20)32-3)28-24-27-14-26-23(29-24)15-4-5-19(16(10-15)13-25)34-18-6-8-33-9-7-18/h4-5,10-12,14,18H,6-9H2,1-3H3,(H,26,27,28,29)","WNPBFIJEFIXYRM-UHFFFAOYSA-N",null,1]
["D12692",17108,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277849","COc1cc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1C(=O)N1CCN(CC1)C1COC1","InChI=1S/C30H33N7O5/c1-39-27-15-22(3-4-25(27)29(38)37-10-8-36(9-11-37)23-17-41-18-23)34-30-33-19-32-28(35-30)20-2-5-26(21(14-20)16-31)42-24-6-12-40-13-7-24/h2-5,14-15,19,23-24H,6-13,17-18H2,1H3,(H,32,33,34,35)","NQVRHDTYGKEBDT-UHFFFAOYSA-N",null,2000,{"$nulls":4},7]
["D12693",14626,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277799","COc1cc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1C(N)=O","InChI=1S/C23H22N6O4/c1-31-20-11-16(3-4-18(20)21(25)30)28-23-27-13-26-22(29-23)14-2-5-19(15(10-14)12-24)33-17-6-8-32-9-7-17/h2-5,10-11,13,17H,6-9H2,1H3,(H2,25,30)(H,26,27,28,29)","BTBPQEMNWVDZLK-UHFFFAOYSA-N",null,4]
["D12694",17111,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277798","COc1cc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1C1CCN(CC1)C1COC1","InChI=1S/C30H34N6O4/c1-37-28-15-23(3-4-26(28)20-6-10-36(11-7-20)24-17-39-18-24)34-30-33-19-32-29(35-30)21-2-5-27(22(14-21)16-31)40-25-8-12-38-13-9-25/h2-5,14-15,19-20,24-25H,6-13,17-18H2,1H3,(H,32,33,34,35)","HUUUYXXLSSGBJH-UHFFFAOYSA-N",null,2000,{"$nulls":4},7]
["D12695",15003,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277778","COc1cc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1N1CCN(C)CC1","InChI=1S/C27H31N7O3/c1-33-9-11-34(12-10-33)23-5-4-21(16-25(23)35-2)31-27-30-18-29-26(32-27)19-3-6-24(20(15-19)17-28)37-22-7-13-36-14-8-22/h3-6,15-16,18,22H,7-14H2,1-2H3,(H,29,30,31,32)","BKKWWJKCPMKOOZ-UHFFFAOYSA-N",null,1]
["D12696",15004,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277785","COc1cc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1N1CCN(CC(F)F)CC1","InChI=1S/C28H31F2N7O3/c1-38-25-15-21(3-4-23(25)37-10-8-36(9-11-37)17-26(29)30)34-28-33-18-32-27(35-28)19-2-5-24(20(14-19)16-31)40-22-6-12-39-13-7-22/h2-5,14-15,18,22,26H,6-13,17H2,1H3,(H,32,33,34,35)","ISBIOLPSKNYCJM-UHFFFAOYSA-N",null,1]
["D12697",14979,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277810","COc1cc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1N1CCN(CC1)C(C)=O","InChI=1S/C28H31N7O4/c1-19(36)34-9-11-35(12-10-34)24-5-4-22(16-26(24)37-2)32-28-31-18-30-27(33-28)20-3-6-25(21(15-20)17-29)39-23-7-13-38-14-8-23/h3-6,15-16,18,23H,7-14H2,1-2H3,(H,30,31,32,33)","CZOQLMDEYNWFSP-UHFFFAOYSA-N",null,1]
["D12698",14968,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277791","COc1cc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C29H33N7O4/c1-37-27-15-22(3-4-25(27)36-10-8-35(9-11-36)23-17-39-18-23)33-29-32-19-31-28(34-29)20-2-5-26(21(14-20)16-30)40-24-6-12-38-13-7-24/h2-5,14-15,19,23-24H,6-13,17-18H2,1H3,(H,31,32,33,34)","XWWHDHOHJJQLEM-UHFFFAOYSA-N",null,1]
["D12699",15022,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277809","COc1cc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1OC(F)F","InChI=1S/C23H21F2N5O4/c1-31-20-11-16(3-5-19(20)34-22(24)25)29-23-28-13-27-21(30-23)14-2-4-18(15(10-14)12-26)33-17-6-8-32-9-7-17/h2-5,10-11,13,17,22H,6-9H2,1H3,(H,27,28,29,30)","PMHQAZQZXRIEPG-UHFFFAOYSA-N",null,9]
["D12700",14627,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277811","COc1cc(Nc2ncnc(n2)-c2ccc(OC3CCS(=O)(=O)CC3)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C29H33N7O5S/c1-39-27-15-22(3-4-25(27)36-10-8-35(9-11-36)23-17-40-18-23)33-29-32-19-31-28(34-29)20-2-5-26(21(14-20)16-30)41-24-6-12-42(37,38)13-7-24/h2-5,14-15,19,23-24H,6-13,17-18H2,1H3,(H,31,32,33,34)","TWKAYMUFDMNKLB-UHFFFAOYSA-N",null,4]
["D12701",14606,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278309","COc1cc(Nc2ncnc(n2)-c2ccc(O[C@@H]3CCC(=O)NC3)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C29H32N8O4/c1-39-26-13-21(3-5-24(26)37-10-8-36(9-11-37)22-16-40-17-22)34-29-33-18-32-28(35-29)19-2-6-25(20(12-19)14-30)41-23-4-7-27(38)31-15-23/h2-3,5-6,12-13,18,22-23H,4,7-11,15-17H2,1H3,(H,31,38)(H,32,33,34,35)/t23-/m1/s1","PDFMRDDQEWFBFY-HSZRJFAPSA-N",null,4]
["D12702",14506,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277800","COc1cc(Nc2ncnc(n2)-c2ccc(O[C@@H]3CCN(C3)C(=O)CO)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C30H34N8O5/c1-41-27-13-22(3-4-25(27)37-10-8-36(9-11-37)23-17-42-18-23)34-30-33-19-32-29(35-30)20-2-5-26(21(12-20)14-31)43-24-6-7-38(15-24)28(40)16-39/h2-5,12-13,19,23-24,39H,6-11,15-18H2,1H3,(H,32,33,34,35)/t24-/m1/s1","ISXLDSOUGCWUBD-XMMPIXPASA-N",null,3]
["D12703",16113,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278338","COc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(CC3(F)F)C(=O)CO)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C31H34F2N8O5/c1-44-26-13-22(3-4-24(26)40-10-8-39(9-11-40)23-16-45-17-23)37-30-36-19-35-29(38-30)20-2-5-25(21(12-20)14-34)46-27-6-7-41(28(43)15-42)18-31(27,32)33/h2-5,12-13,19,23,27,42H,6-11,15-18H2,1H3,(H,35,36,37,38)/t27-/m0/s1","YAFYVCJVEQKTDN-MHZLTWQESA-N",null,2]
["D12704",16618,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278355","COc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(CC3(F)F)C(=O)[C@@H](O)CO)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C32H36F2N8O6/c1-46-27-13-22(3-4-24(27)41-10-8-40(9-11-41)23-16-47-17-23)38-31-37-19-36-29(39-31)20-2-5-26(21(12-20)14-35)48-28-6-7-42(18-32(28,33)34)30(45)25(44)15-43/h2-5,12-13,19,23,25,28,43-44H,6-11,15-18H2,1H3,(H,36,37,38,39)/t25-,28-/m0/s1","VTBKJRBNHBUZNW-LSYYVWMOSA-N",null,2]
["D12705",17153,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278257","COc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(CC3(F)F)C(=O)[C@@H](O)CO)c(c2)C#N)ccn1","InChI=1S/C24H23F2N7O5/c1-37-20-9-16(4-6-28-20)31-23-30-13-29-21(32-23)14-2-3-18(15(8-14)10-27)38-19-5-7-33(12-24(19,25)26)22(36)17(35)11-34/h2-4,6,8-9,13,17,19,34-35H,5,7,11-12H2,1H3,(H,28,29,30,31,32)/t17-,19-/m0/s1","IAQRFOBNZQJZEU-HKUYNNGSSA-N",null,2000,{"$nulls":4},7]
["D12706",16114,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278339","COc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(CC3(F)F)C(=O)[C@H](C)O)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C32H36F2N8O5/c1-20(43)30(44)42-8-7-28(32(33,34)18-42)47-26-6-3-21(13-22(26)15-35)29-36-19-37-31(39-29)38-23-4-5-25(27(14-23)45-2)41-11-9-40(10-12-41)24-16-46-17-24/h3-6,13-14,19-20,24,28,43H,7-12,16-18H2,1-2H3,(H,36,37,38,39)/t20-,28-/m0/s1","IIJFTZPMVMZULD-MMTVBGGISA-N",null,2]
["D12707",17144,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278322","COc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)C3CCC(=O)N3)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C34H38FN9O5/c1-47-30-15-23(3-5-27(30)43-12-10-42(11-13-43)24-18-48-19-24)39-34-38-20-37-32(41-34)21-2-6-28(22(14-21)16-36)49-29-8-9-44(17-25(29)35)33(46)26-4-7-31(45)40-26/h2-3,5-6,14-15,20,24-26,29H,4,7-13,17-19H2,1H3,(H,40,45)(H,37,38,39,41)/t25-,26?,29+/m1/s1","DXLFYQZBZDRHPE-VJHAGTGTSA-N",null,2000,{"$nulls":4},7]
["D12708",14637,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278105","COc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CC#N)c(c2)C#N)ccc1N1CCC(CC1)N1CCOCC1","InChI=1S/C34H38FN9O4/c1-46-31-19-25(3-4-28(31)43-11-7-26(8-12-43)42-14-16-47-17-15-42)40-34-39-22-38-33(41-34)23-2-5-29(24(18-23)20-37)48-30-9-13-44(21-27(30)35)32(45)6-10-36/h2-5,18-19,22,26-27,30H,6-9,11-17,21H2,1H3,(H,38,39,40,41)/t27-,30+/m1/s1","XKBKVVYGYYKNBU-OFSOJUDTSA-N",null,4]
["D12709",16112,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278336","COc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CC#N)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C32H34FN9O4/c1-44-29-15-23(3-4-26(29)41-12-10-40(11-13-41)24-18-45-19-24)38-32-37-20-36-31(39-32)21-2-5-27(22(14-21)16-35)46-28-7-9-42(17-25(28)33)30(43)6-8-34/h2-5,14-15,20,24-25,28H,6-7,9-13,17-19H2,1H3,(H,36,37,38,39)/t25-,28+/m1/s1","FUJGKVVGNLTMJJ-NAKRPHOHSA-N",null,2]
["D12710",17297,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278340","COc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CCO)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C32H37FN8O5/c1-44-29-15-23(3-4-26(29)40-11-9-39(10-12-40)24-18-45-19-24)37-32-36-20-35-31(38-32)21-2-5-27(22(14-21)16-34)46-28-6-8-41(17-25(28)33)30(43)7-13-42/h2-5,14-15,20,24-25,28,42H,6-13,17-19H2,1H3,(H,35,36,37,38)/t25-,28+/m1/s1","ZLNXGZIGBNDPLA-NAKRPHOHSA-N",null,3000,{"$nulls":4},7]
["D12711",17223,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278103","COc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)ccc1N1CCC(CC1)N1CCOCC1","InChI=1S/C33H39FN8O5/c1-45-30-17-24(3-4-27(30)41-9-6-25(7-10-41)40-12-14-46-15-13-40)38-33-37-21-36-32(39-33)22-2-5-28(23(16-22)18-35)47-29-8-11-42(19-26(29)34)31(44)20-43/h2-5,16-17,21,25-26,29,43H,6-15,19-20H2,1H3,(H,36,37,38,39)/t26-,29+/m1/s1","NRBCTDSKRRXYFZ-UHSQPCAPSA-N",null,2000,{"$nulls":4},7]
["D12712",17160,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278286","COc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)ccc1N1CCN(C)C[C@@H]1C","InChI=1S/C30H35FN8O4/c1-19-15-37(2)10-11-39(19)24-6-5-22(13-27(24)42-3)35-30-34-18-33-29(36-30)20-4-7-25(21(12-20)14-32)43-26-8-9-38(16-23(26)31)28(41)17-40/h4-7,12-13,18-19,23,26,40H,8-11,15-17H2,1-3H3,(H,33,34,35,36)/t19-,23+,26-/m0/s1","RTNHWTLGYOUURJ-CNPGNWEMSA-N",null,2000,{"$nulls":4},7]
["D12713",14741,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278170","COc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C31H35FN8O5/c1-43-28-13-22(3-4-25(28)39-10-8-38(9-11-39)23-17-44-18-23)36-31-35-19-34-30(37-31)20-2-5-26(21(12-20)14-33)45-27-6-7-40(15-24(27)32)29(42)16-41/h2-5,12-13,19,23-24,27,41H,6-11,15-18H2,1H3,(H,34,35,36,37)/t24-,27+/m1/s1","LCQOCQFHKRNJIB-SQHAQQRYSA-N",null,5]
["D12714",16619,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278356","COc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@@H](O)CO)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C32H37FN8O6/c1-45-29-13-22(3-4-25(29)40-10-8-39(9-11-40)23-17-46-18-23)37-32-36-19-35-30(38-32)20-2-5-27(21(12-20)14-34)47-28-6-7-41(15-24(28)33)31(44)26(43)16-42/h2-5,12-13,19,23-24,26,28,42-43H,6-11,15-18H2,1H3,(H,35,36,37,38)/t24-,26+,28+/m1/s1","LTWUQUYWPHRFIK-XDIPAPSNSA-N",null,2]
["D12715",14605,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278289","COc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@@H](O)CO)c(c2)C#N)cnc1N1CCN(CC1)C1COC1","InChI=1S/C31H36FN9O6/c1-45-27-11-21(13-34-29(27)40-8-6-39(7-9-40)22-16-46-17-22)37-31-36-18-35-28(38-31)19-2-3-25(20(10-19)12-33)47-26-4-5-41(14-23(26)32)30(44)24(43)15-42/h2-3,10-11,13,18,22-24,26,42-43H,4-9,14-17H2,1H3,(H,35,36,37,38)/t23-,24+,26+/m1/s1","KAKYKHXANDESRF-USZFVNFHSA-N",null,4]
["D12716",17224,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278104","COc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@H](C)O)c(c2)C#N)ccc1N1CCC(CC1)N1CCOCC1","InChI=1S/C34H41FN8O5/c1-22(44)33(45)43-12-9-30(27(35)20-43)48-29-6-3-23(17-24(29)19-36)32-37-21-38-34(40-32)39-25-4-5-28(31(18-25)46-2)42-10-7-26(8-11-42)41-13-15-47-16-14-41/h3-6,17-18,21-22,26-27,30,44H,7-16,20H2,1-2H3,(H,37,38,39,40)/t22-,27+,30-/m0/s1","JDINGZWJTZKCCG-OQTGDVNSSA-N",null,2000,{"$nulls":4},7]
["D12717",17157,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278277","COc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@H](C)O)c(c2)C#N)ccc1N1CCN(C)C[C@@H]1C","InChI=1S/C31H37FN8O4/c1-19-16-38(3)11-12-40(19)25-7-6-23(14-28(25)43-4)36-31-35-18-34-29(37-31)21-5-8-26(22(13-21)15-33)44-27-9-10-39(17-24(27)32)30(42)20(2)41/h5-8,13-14,18-20,24,27,41H,9-12,16-17H2,1-4H3,(H,34,35,36,37)/t19-,20-,24+,27-/m0/s1","QYECLBIGLCTRAG-IDUMMXBFSA-N",null,2000,{"$nulls":4},7]
["D12718",16658,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278167","COc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@H](C)O)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C32H37FN8O5/c1-20(42)31(43)41-8-7-28(25(33)16-41)46-27-6-3-21(13-22(27)15-34)30-35-19-36-32(38-30)37-23-4-5-26(29(14-23)44-2)40-11-9-39(10-12-40)24-17-45-18-24/h3-6,13-14,19-20,24-25,28,42H,7-12,16-18H2,1-2H3,(H,35,36,37,38)/t20-,25+,28-/m0/s1","UOWCUKGLCIGJTB-OUKRDIKDSA-N",null,2]
["D12719",14922,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278261","COc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@H](C)O)c(c2)C#N)ccc1S(C)(=O)=O","InChI=1S/C26H27FN6O6S/c1-15(34)25(35)33-9-8-21(19(27)13-33)39-20-6-4-16(10-17(20)12-28)24-29-14-30-26(32-24)31-18-5-7-23(40(3,36)37)22(11-18)38-2/h4-7,10-11,14-15,19,21,34H,8-9,13H2,1-3H3,(H,29,30,31,32)/t15-,19+,21-/m0/s1","UUYGOKZIAFBEGX-DLVCFXQMSA-N",null,8]
["D12720",14797,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278252","COc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@H](C)O)c(c2)C#N)ccn1","InChI=1S/C24H24FN7O4/c1-14(33)23(34)32-8-6-20(18(25)12-32)36-19-4-3-15(9-16(19)11-26)22-28-13-29-24(31-22)30-17-5-7-27-21(10-17)35-2/h3-5,7,9-10,13-14,18,20,33H,6,8,12H2,1-2H3,(H,27,28,29,30,31)/t14-,18+,20-/m0/s1","QNAQWEYXUVCFQZ-QMIHWGKISA-N",null,6]
["D12721",14480,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278292","COc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@H](C)O)c(c2)C#N)cnc1N1CCN(CC1)C1COC1","InChI=1S/C31H36FN9O5/c1-19(42)30(43)41-6-5-26(24(32)15-41)46-25-4-3-20(11-21(25)13-33)28-35-18-36-31(38-28)37-22-12-27(44-2)29(34-14-22)40-9-7-39(8-10-40)23-16-45-17-23/h3-4,11-12,14,18-19,23-24,26,42H,5-10,15-17H2,1-2H3,(H,35,36,37,38)/t19-,24+,26-/m0/s1","GFUQWWAFJKBDPB-LNXUECGXSA-N",null,3]
["D12722",16620,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278357","COc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@H](O)CO)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C32H37FN8O6/c1-45-29-13-22(3-4-25(29)40-10-8-39(9-11-40)23-17-46-18-23)37-32-36-19-35-30(38-32)20-2-5-27(21(12-20)14-34)47-28-6-7-41(15-24(28)33)31(44)26(43)16-42/h2-5,12-13,19,23-24,26,28,42-43H,6-11,15-18H2,1H3,(H,35,36,37,38)/t24-,26-,28+/m1/s1","LTWUQUYWPHRFIK-INOCPDNRSA-N",null,2]
["D12723",25451,"7e88_L",0.3,"Spike protein S1","DNA polymerase kappa","Homo sapiens","BDBM50375301","COc1cc(O)c2c(c1)c1C(C)CC(=O)c1oc2=O","InChI=1S/C14H12O5/c1-6-3-10(16)13-11(6)8-4-7(18-2)5-9(15)12(8)14(17)19-13/h4-6,15H,3H2,1-2H3","WCUQVKQCPDVPRC-UHFFFAOYSA-N",null,59800]
["D12724",25722,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50470388","COc1cc(OC)c(CNc2cc[n+](CCCCCCCCCC[n+]3ccc(NCc4c(OC)cc(OC)cc4OC)c4ccccc34)c3ccccc23)c(OC)c1","InChI=1S/C48H58N4O6/c1-53-35-29-45(55-3)39(46(30-35)56-4)33-49-41-23-27-51(43-21-15-13-19-37(41)43)25-17-11-9-7-8-10-12-18-26-52-28-24-42(38-20-14-16-22-44(38)52)50-34-40-47(57-5)31-36(54-2)32-48(40)58-6/h13-16,19-24,27-32H,7-12,17-18,25-26,33-34H2,1-6H3/p+2","DGRYUOHWQSFLKW-UHFFFAOYSA-P",null,600]
["D12725",12070,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM79576","COc1cc(OC)c2cc([nH]c2c1)C(=O)NN=Cc1cccc(OC)c1O","InChI=1S/C19H19N3O5/c1-25-12-7-14-13(17(8-12)27-3)9-15(21-14)19(24)22-20-10-11-5-4-6-16(26-2)18(11)23/h4-10,21,23H,1-3H3,(H,22,24)/b20-10+","QJWYEFHYQOOGHV-KEBDBYFISA-N",null,3559]
["D12726",11882,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM33694","COc1cc(OC)cc(c1)-n1nnnc1SCC(=O)Nc1ccc(cc1)C(C)=O","InChI=1S/C19H19N5O4S/c1-12(25)13-4-6-14(7-5-13)20-18(26)11-29-19-21-22-23-24(19)15-8-16(27-2)10-17(9-15)28-3/h4-10H,11H2,1-3H3,(H,20,26)","FDHIYGUPIPFKIF-UHFFFAOYSA-N",{"$nulls":3},8104]
["D12727",4518,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66479","COc1cc(OC)cc(c1)C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)Nc1ccc(C)cc1C","InChI=1S/C24H30N2O6/c1-14(2)22(26-23(28)17-10-18(30-5)12-19(11-17)31-6)24(29)32-13-21(27)25-20-8-7-15(3)9-16(20)4/h7-12,14,22H,13H2,1-6H3,(H,25,27)(H,26,28)/t22-/m0/s1","PBYNBWPJPWQWIB-QFIPXVFZSA-N",{"$nulls":3},">350000"]
["D12728",32067,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46353","COc1cc(OC)cc(c1)C(=O)Nc1ccc(cc1)-c1nc2ccccc2o1","InChI=1S/C22H18N2O4/c1-26-17-11-15(12-18(13-17)27-2)21(25)23-16-9-7-14(8-10-16)22-24-19-5-3-4-6-20(19)28-22/h3-13H,1-2H3,(H,23,25)","JWBPRZWEKRGVEE-UHFFFAOYSA-N",null,">55700"]
["D12729",3788,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66721","COc1cc(OC)cc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1","InChI=1S/C19H22N2O6S/c1-25-16-11-14(12-17(13-16)26-2)19(22)20-15-3-5-18(6-4-15)28(23,24)21-7-9-27-10-8-21/h3-6,11-13H,7-10H2,1-2H3,(H,20,22)","VJIORYWZQGTYMS-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12730",32109,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46402","COc1cc(OC)cc(c1)C(=O)Nc1nnc(NC(=S)Nc2ccccc2)s1","InChI=1S/C18H17N5O3S2/c1-25-13-8-11(9-14(10-13)26-2)15(24)20-17-22-23-18(28-17)21-16(27)19-12-6-4-3-5-7-12/h3-10H,1-2H3,(H,20,22,24)(H2,19,21,23,27)","FFCQBANGSZWTMH-UHFFFAOYSA-N",null,">55700"]
["D12731",25963,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481457","COc1cc(OC)cc(c1)C(N1CCN(CC1)C(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1","InChI=1S/C34H36N2O3/c1-38-30-22-29(23-31(24-30)39-2)34(28-16-10-5-11-17-28)36-20-18-35(19-21-36)33(37)25-32(26-12-6-3-7-13-26)27-14-8-4-9-15-27/h3-17,22-24,32,34H,18-21,25H2,1-2H3","RPLRXHLXRQIHHQ-UHFFFAOYSA-N",null,210]
["D12732",25920,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM50355494","COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1","InChI=1S/C24H24N4O5S/c1-14(23-26-9-10-34-23)27-24(29)28-17-6-5-15(11-20(17)30-2)33-19-7-8-25-18-13-22(32-4)21(31-3)12-16(18)19/h5-14H,1-4H3,(H2,27,28,29)","SHPFDGWALWEPGS-UHFFFAOYSA-N",null,null,">10000"]
["D12733",4452,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM43075","COc1cc(SC#N)ccc1N=Cc1c(C)[nH]n(-c2ccc(C)cc2)c1=O","InChI=1S/C20H18N4O2S/c1-13-4-6-15(7-5-13)24-20(25)17(14(2)23-24)11-22-18-9-8-16(27-12-21)10-19(18)26-3/h4-11,23H,1-3H3","UMCJZLUBGYOXLU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12734",4301,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66401","COc1cc(\\C=C(\\C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccccc1F","InChI=1S/C28H24FN3O3/c1-34-27-15-19(10-11-26(27)35-18-21-6-2-4-8-24(21)29)14-22(16-30)28(33)31-13-12-20-17-32-25-9-5-3-7-23(20)25/h2-11,14-15,17,32H,12-13,18H2,1H3,(H,31,33)/b22-14-","YZHUUWXJCMXZCW-HMAPJEAMSA-N",{"$nulls":3},">350000"]
["D12735",4543,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66499","COc1cc(\\C=C(\\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1Oc1nc(Cl)ncc1F","InChI=1S/C21H13Cl2FN4O3/c1-30-18-9-12(2-7-17(18)31-20-16(24)11-26-21(23)28-20)8-13(10-25)19(29)27-15-5-3-14(22)4-6-15/h2-9,11H,1H3,(H,27,29)/b13-8-","HPKSXDNBGSQVCZ-JYRVWZFOSA-N",{"$nulls":3},91190]
["D12736",4297,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66398","COc1cc(\\C=C(\\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccccc1C","InChI=1S/C26H22N4O3/c1-17-7-3-4-8-20(17)28-25(31)16-33-23-12-11-18(14-24(23)32-2)13-19(15-27)26-29-21-9-5-6-10-22(21)30-26/h3-14H,16H2,1-2H3,(H,28,31)(H,29,30)/b19-13-","XVAKBFGFQSCBJZ-UYRXBGFRSA-N",{"$nulls":3},4300]
["D12737",4307,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66406","COc1cc(\\C=C(\\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccccc1C(C)C","InChI=1S/C28H26N4O3/c1-18(2)21-8-4-5-9-22(21)30-27(33)17-35-25-13-12-19(15-26(25)34-3)14-20(16-29)28-31-23-10-6-7-11-24(23)32-28/h4-15,18H,17H2,1-3H3,(H,30,33)(H,31,32)/b20-14-","HQOJPEQZHHGUCC-ZHZULCJRSA-N",{"$nulls":3},14570]
["D12738",4430,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66344","COc1cc(\\C=C2/C(=O)N=C3SC=CN3C2=N)ccc1OCCCOc1cc(C)ccc1C","InChI=1S/C25H25N3O4S/c1-16-5-6-17(2)21(13-16)32-11-4-10-31-20-8-7-18(15-22(20)30-3)14-19-23(26)28-9-12-33-25(28)27-24(19)29/h5-9,12-15,26H,4,10-11H2,1-3H3/b19-14-,26-23?","LKYBOTWSOCNPPH-RSPUHVBCSA-N",{"$nulls":3},7284]
["D12739",12317,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM54424","COc1cc(\\C=C2/CC(C\\C(=C/c3cc(OC)c(OC)c(OC)c3)C2=O)C(C)(C)C)cc(OC)c1OC","InChI=1S/C30H38O7/c1-30(2,3)22-16-20(10-18-12-23(32-4)28(36-8)24(13-18)33-5)27(31)21(17-22)11-19-14-25(34-6)29(37-9)26(15-19)35-7/h10-15,22H,16-17H2,1-9H3/b20-10+,21-11+","MVFZFKNUNYNNOG-CLVAPQHMSA-N",null,">35870"]
["D12740",25781,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Sarcoplasmic/endoplasmic reticulum calcium ATPase 2","Rattus norvegicus","BDBM50140172","COc1cc(\\C=C\\C(=O)CC(=O)\\C=C\\c2ccc(O)c(OC)c2)ccc1O","InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+","VFLDPWHFBUODDF-FCXRPNKRSA-N",53000]
["D12741",4052,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM58859","COc1cc(\\C=C\\C(=O)c2ccc(o2)[N+]([O-])=O)ccc1O","InChI=1S/C14H11NO6/c1-20-13-8-9(3-5-11(13)17)2-4-10(16)12-6-7-14(21-12)15(18)19/h2-8,17H,1H3/b4-2+","FVJVZKRVTOCVQA-DUXPYHPUSA-N",{"$nulls":3},">350000"]
["D12742",3795,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66727","COc1cc(\\C=C\\[N+]([O-])=O)ccc1OC(=O)c1cccnc1","InChI=1S/C15H12N2O5/c1-21-14-9-11(6-8-17(19)20)4-5-13(14)22-15(18)12-3-2-7-16-10-12/h2-10H,1H3/b8-6+","KKVVHBHJHDOMJJ-SOFGYWHQSA-N",{"$nulls":3},12520]
["D12743",16376,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478289","COc1cc(c(F)cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C27H28FN7O2/c1-37-25-14-20(21(28)15-30-25)19-4-5-22-23(13-19)32-27(31-22)33-24-12-17(6-7-29-24)16-34-8-10-35(11-9-34)26(36)18-2-3-18/h4-7,12-15,18H,2-3,8-11,16H2,1H3,(H2,29,31,32,33)","NTOCHHFWXPYLDH-UHFFFAOYSA-N",null,198]
["D12744",16472,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478291","COc1cc(c(F)cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CCC4)ccn3)[nH]c2c1","InChI=1S/C28H30FN7O2/c1-38-26-15-21(22(29)16-31-26)20-5-6-23-24(14-20)33-28(32-23)34-25-13-18(7-8-30-25)17-35-9-11-36(12-10-35)27(37)19-3-2-4-19/h5-8,13-16,19H,2-4,9-12,17H2,1H3,(H2,30,32,33,34)","JNCQLAAWMMZOPB-UHFFFAOYSA-N",null,279]
["D12745",16423,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478290","COc1cc(c(F)cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C26H25F4N7O2/c1-39-23-12-18(19(27)14-32-23)17-2-3-20-21(11-17)34-25(33-20)35-22-10-16(4-5-31-22)15-36-6-8-37(9-7-36)24(38)13-26(28,29)30/h2-5,10-12,14H,6-9,13,15H2,1H3,(H2,31,33,34,35)","REVSKYQGJHJXSG-UHFFFAOYSA-N",null,232]
["D12746",16482,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478292","COc1cc(c(F)cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC4CC4)ccn3)[nH]c2c1","InChI=1S/C28H30FN7O2/c1-38-26-15-21(22(29)16-31-26)20-4-5-23-24(14-20)33-28(32-23)34-25-12-19(6-7-30-25)17-35-8-10-36(11-9-35)27(37)13-18-2-3-18/h4-7,12,14-16,18H,2-3,8-11,13,17H2,1H3,(H2,30,32,33,34)","JHIPAFATQSWEKF-UHFFFAOYSA-N",null,288]
["D12747",4951,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM196911","COc1cc(cc(Cl)c1OCC(O)=O)C(O)P(O)(=O)CC[C@@H](N)C(O)=O","InChI=1S/C14H19ClNO9P/c1-24-10-5-7(4-8(15)12(10)25-6-11(17)18)14(21)26(22,23)3-2-9(16)13(19)20/h4-5,9,14,21H,2-3,6,16H2,1H3,(H,17,18)(H,19,20)(H,22,23)/t9-,14?/m1/s1","CITKLHPQBXWCKK-UCWRFOARSA-N",{"$nulls":3},11400]
["D12748",4932,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50523873","COc1cc(cc(F)c1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-n1cncn1","InChI=1S/C19H13F4N5O4/c1-29-15-6-10(5-13(20)16(15)30-2)17-26-27-18(31-17)12-7-11(32-19(21,22)23)3-4-14(12)28-9-24-8-25-28/h3-9H,1-2H3","DSFYAKSOPUSCOE-UHFFFAOYSA-N",null,">30000"]
["D12749",4950,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM196910","COc1cc(cc(F)c1OCC(O)=O)C(O)P(O)(=O)CC[C@@H](N)C(O)=O","InChI=1S/C14H19FNO9P/c1-24-10-5-7(4-8(15)12(10)25-6-11(17)18)14(21)26(22,23)3-2-9(16)13(19)20/h4-5,9,14,21H,2-3,6,16H2,1H3,(H,17,18)(H,19,20)(H,22,23)/t9-,14?/m1/s1","CBQXGRKXMPLXLY-UCWRFOARSA-N",{"$nulls":3},3500]
["D12750",4952,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM196912","COc1cc(cc(I)c1OCC(O)=O)C(O)P(O)(=O)CC[C@@H](N)C(O)=O","InChI=1S/C14H19INO9P/c1-24-10-5-7(4-8(15)12(10)25-6-11(17)18)14(21)26(22,23)3-2-9(16)13(19)20/h4-5,9,14,21H,2-3,6,16H2,1H3,(H,17,18)(H,19,20)(H,22,23)/t9-,14?/m1/s1","ZSCCFTCROHWQGM-UCWRFOARSA-N",{"$nulls":3},6600]
["D12751",11761,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87330","COc1cc(cc(OC)c1O)C1C2C(COC2=O)C(OC2OC3COC(OC3C(O)C2O)c2cccs2)c2cc3OCOc3cc12","InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3","NRUKOCRGYNPUPR-UHFFFAOYSA-N",null,91.26]
["D12752",11798,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM50127140","COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12","InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1","VJJPUSNTGOMMGY-MRVIYFEKSA-N",null,2482]
["D12753",11896,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43043","COc1cc(cc(OC)c1OC(=O)c1cc(c(C)c(c1)[N+]([O-])=O)[N+]([O-])=O)C(=S)N1CCOCC1","InChI=1S/C21H21N3O9S/c1-12-15(23(26)27)8-14(9-16(12)24(28)29)21(25)33-19-17(30-2)10-13(11-18(19)31-3)20(34)22-4-6-32-7-5-22/h8-11H,4-7H2,1-3H3","AYMMYZDHJQLGIS-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D12754",3755,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66370","COc1cc(cc(OC)c1OC)-c1cc(nc(SCC(=O)Nc2nccs2)c1C#N)-c1ccccc1","InChI=1S/C26H22N4O4S2/c1-32-21-11-17(12-22(33-2)24(21)34-3)18-13-20(16-7-5-4-6-8-16)29-25(19(18)14-27)36-15-23(31)30-26-28-9-10-35-26/h4-13H,15H2,1-3H3,(H,28,30,31)","YEHQKHOLHKUBLD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12755",4040,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66941","COc1cc(cc(OC)c1OC)-c1nnc(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)o1","InChI=1S/C20H20FN3O7S/c1-28-15-10-12(11-16(29-2)18(15)30-3)19-23-24-20(31-19)22-17(25)8-9-32(26,27)14-6-4-13(21)5-7-14/h4-7,10-11H,8-9H2,1-3H3,(H,22,24,25)","CRUZQXDUNMWFBO-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12756",12400,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42923","COc1cc(cc(OC)c1OC)C(=O)CSc1nc2ccccc2o1","InChI=1S/C18H17NO5S/c1-21-15-8-11(9-16(22-2)17(15)23-3)13(20)10-25-18-19-12-6-4-5-7-14(12)24-18/h4-9H,10H2,1-3H3","DQWFUVBFIVDEDI-UHFFFAOYSA-N",{"$nulls":3},21760]
["D12757",26047,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1/alpha-1B/alpha-2/delta-1","Rattus norvegicus","BDBM50481867","COc1cc(cc(OC)c1OC)C(=O)N1CCN(CC1)C(=O)CCCCC(c1ccc(F)cc1)c1ccc(F)cc1","InChI=1S/C32H36F2N2O5/c1-39-28-20-24(21-29(40-2)31(28)41-3)32(38)36-18-16-35(17-19-36)30(37)7-5-4-6-27(22-8-12-25(33)13-9-22)23-10-14-26(34)15-11-23/h8-15,20-21,27H,4-7,16-19H2,1-3H3","LNUFLBXUQBLZHK-UHFFFAOYSA-N",null,540]
["D12758",26037,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1/alpha-1B/alpha-2/delta-1","Rattus norvegicus","BDBM50481858","COc1cc(cc(OC)c1OC)C(=O)N1CCN(CCCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1","InChI=1S/C32H38F2N2O4/c1-38-29-21-25(22-30(39-2)31(29)40-3)32(37)36-19-17-35(18-20-36)16-6-4-5-7-28(23-8-12-26(33)13-9-23)24-10-14-27(34)15-11-24/h8-15,21-22,28H,4-7,16-20H2,1-3H3","PVRUBEUPMQSJRW-UHFFFAOYSA-N",null,110]
["D12759",12071,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM4834","COc1cc(cc(OC)c1OC)C(=O)NC(=S)NNC(=O)c1cnccn1","InChI=1S/C16H17N5O5S/c1-24-11-6-9(7-12(25-2)13(11)26-3)14(22)19-16(27)21-20-15(23)10-8-17-4-5-18-10/h4-8H,1-3H3,(H,20,23)(H2,19,21,22,27)","YKNJJKREQZTLPY-UHFFFAOYSA-N",null,3577]
["D12760",4623,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66570","COc1cc(cc(OC)c1OC)C(=O)NCc1cc(C)nc2ccccc12","InChI=1S/C21H22N2O4/c1-13-9-15(16-7-5-6-8-17(16)23-13)12-22-21(24)14-10-18(25-2)20(27-4)19(11-14)26-3/h5-11H,12H2,1-4H3,(H,22,24)","ODUGFQDWCIRVMO-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12761",12213,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87284","COc1cc(cc(OC)c1OC)C(=O)N\\N=C(/c1ccccc1)c1ccccn1","InChI=1S/C22H21N3O4/c1-27-18-13-16(14-19(28-2)21(18)29-3)22(26)25-24-20(15-9-5-4-6-10-15)17-11-7-8-12-23-17/h4-14H,1-3H3,(H,25,26)/b24-20+","BMBLOFIHDPHYHB-HIXSDJFHSA-N",null,9582]
["D12762",4378,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM44424","COc1cc(cc(OC)c1OC)C(=O)Nc1cc(n[nH]1)-c1ccccc1","InChI=1S/C19H19N3O4/c1-24-15-9-13(10-16(25-2)18(15)26-3)19(23)20-17-11-14(21-22-17)12-7-5-4-6-8-12/h4-11H,1-3H3,(H2,20,21,22,23)","UOJCQLKDQQMPRY-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12763",3971,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66878","COc1cc(cc(OC)c1OC)C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCCC1","InChI=1S/C24H30N4O5/c1-26-18-13-16(17(28-9-7-6-8-10-28)14-19(18)27(2)24(26)30)25-23(29)15-11-20(31-3)22(33-5)21(12-15)32-4/h11-14H,6-10H2,1-5H3,(H,25,29)","SBRVXDQMDGFAKD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12764",12328,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87312","COc1cc(cc(OC)c1OC)C(=O)OCC(=O)Nc1sccc1C(N)=O","InChI=1S/C17H18N2O7S/c1-23-11-6-9(7-12(24-2)14(11)25-3)17(22)26-8-13(20)19-16-10(15(18)21)4-5-27-16/h4-7H,8H2,1-3H3,(H2,18,21)(H,19,20)","QMPAFEQKRJJCLB-UHFFFAOYSA-N",null,">35874"]
["D12765",25983,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481483","COc1cc(cc(OC)c1OC)C(N1CCN(CC1)C(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1","InChI=1S/C35H38N2O4/c1-39-31-23-29(24-32(40-2)35(31)41-3)34(28-17-11-6-12-18-28)37-21-19-36(20-22-37)33(38)25-30(26-13-7-4-8-14-26)27-15-9-5-10-16-27/h4-18,23-24,30,34H,19-22,25H2,1-3H3","RFHHKLHLLXMGOX-UHFFFAOYSA-N",null,510]
["D12766",4948,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM196908","COc1cc(cc(OC)c1OCC(O)=O)C(O)P(O)(=O)CC[C@@H](N)C(O)=O","InChI=1S/C15H22NO10P/c1-24-10-5-8(6-11(25-2)13(10)26-7-12(17)18)15(21)27(22,23)4-3-9(16)14(19)20/h5-6,9,15,21H,3-4,7,16H2,1-2H3,(H,17,18)(H,19,20)(H,22,23)/t9-,15?/m1/s1","JDWNQHDRUKKAKP-WXMRUQJCSA-N",{"$nulls":3},127000]
["D12767",15204,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276847","COc1cc(cc(c1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1)C#N","InChI=1S/C25H22N4O2/c1-30-21-13-17(16-26)12-19(14-21)22-6-7-27-25-23(22)15-24(28-25)18-2-4-20(5-3-18)29-8-10-31-11-9-29/h2-7,12-15H,8-11H2,1H3,(H,27,28)","IUVHQFNEWHGXIN-UHFFFAOYSA-N",null,14.5,{"$nulls":4},7]
["D12768",15944,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277883","COc1cc(cc(c1)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C#N","InChI=1S/C24H25N7O2/c1-32-22-11-17(13-25)10-18(12-22)23-26-16-27-24(29-23)28-19-2-4-20(5-3-19)30-6-8-31(9-7-30)21-14-33-15-21/h2-5,10-12,16,21H,6-9,14-15H2,1H3,(H,26,27,28,29)","FZUUBSLIODIIES-UHFFFAOYSA-N",null,79]
["D12769",3651,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50446782","COc1cc(cc(c1O)[N+]([O-])=O)C(=O)P(O)(O)CC[C@H](N)C(O)=O","InChI=1S/C12H17N2O9P/c1-23-9-5-6(4-8(10(9)15)14(19)20)12(18)24(21,22)3-2-7(13)11(16)17/h4-5,7,15,21-22,24H,2-3,13H2,1H3,(H,16,17)/t7-/m0/s1","VTLCVNMSKLAHKI-ZETCQYMHSA-N",{"$nulls":3},101000]
["D12770",3646,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50255347","COc1cc(cc(c1O)[N+]([O-])=O)[C@@H](O)P(O)(=O)CC[C@H](N)C(O)=O","InChI=1S/C12H17N2O9P/c1-23-9-5-6(4-8(10(9)15)14(19)20)12(18)24(21,22)3-2-7(13)11(16)17/h4-5,7,12,15,18H,2-3,13H2,1H3,(H,16,17)(H,21,22)/t7-,12-/m0/s1","PEXVMHLARUAHNC-MADCSZMMSA-N",{"$nulls":3},63000]
["D12771",3720,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50255348","COc1cc(cc(c1O)[N+]([O-])=O)[C@H](O)P(O)(=O)CC[C@H](N)C(O)=O","InChI=1S/C12H17N2O9P/c1-23-9-5-6(4-8(10(9)15)14(19)20)12(18)24(21,22)3-2-7(13)11(16)17/h4-5,7,12,15,18H,2-3,13H2,1H3,(H,16,17)(H,21,22)/t7-,12+/m0/s1","PEXVMHLARUAHNC-JVXZTZIISA-N",{"$nulls":3},100000]
["D12772",4949,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM196909","COc1cc(cc(c1OCC(O)=O)[N+]([O-])=O)C(O)P(O)(=O)CC[C@@H](N)C(O)=O","InChI=1S/C14H19N2O11P/c1-26-10-5-7(4-9(16(22)23)12(10)27-6-11(17)18)14(21)28(24,25)3-2-8(15)13(19)20/h4-5,8,14,21H,2-3,6,15H2,1H3,(H,17,18)(H,19,20)(H,24,25)/t8-,14?/m1/s1","OCWGTIQPGGIBEM-ZSYIFEHUSA-N",{"$nulls":3},">100000"]
["D12773",17955,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569939","COc1cc(ccc1-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NC(C)C(CO)CO4)cc3F)c12)C#N",{"$nulls":3},">20000"]
["D12774",17928,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569911","COc1cc(ccc1-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12)C#N",{"$nulls":3},">20000"]
["D12775",15054,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276961","COc1cc(ccc1-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N)N1CCOCC1","InChI=1S/C29H29N5O4/c1-35-27-15-21(34-8-12-37-13-9-34)3-4-23(27)25-16-24-28(31-18-32-29(24)33-25)19-2-5-26(20(14-19)17-30)38-22-6-10-36-11-7-22/h2-5,14-16,18,22H,6-13H2,1H3,(H,31,32,33)","ZNZQEKQKXAOGDX-UHFFFAOYSA-N",null,9.78]
["D12776",17949,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569933","COc1cc(ccc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NC(C)C(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D12777",17942,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569926","COc1cc(ccc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D12778",17918,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570027","COc1cc(ccc1C(F)(F)F)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(F)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D12779",3613,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565015","COc1cc(ccc1C)C1CCc2c(C1)cnn(-c1ccccn1)c2=O","InChI=1S/C21H21N3O2/c1-14-6-7-16(12-19(14)26-2)15-8-9-18-17(11-15)13-23-24(21(18)25)20-5-3-4-10-22-20/h3-7,10,12-13,15H,8-9,11H2,1-2H3","XTRQXGKNZVLWEK-UHFFFAOYSA-N",null,15500]
["D12780",17917,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570026","COc1cc(ccc1F)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(F)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D12781",4937,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50523880","COc1cc(ccc1F)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-n1cncn1","InChI=1S/C18H11F4N5O3/c1-28-15-6-10(2-4-13(15)19)16-25-26-17(29-16)12-7-11(30-18(20,21)22)3-5-14(12)27-9-23-8-24-27/h2-9H,1H3","FITUGJRIUVEMJS-UHFFFAOYSA-N",null,">30000"]
["D12782",4611,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66560","COc1cc(ccc1F)S(=O)(=O)Nc1ccncc1","InChI=1S/C12H11FN2O3S/c1-18-12-8-10(2-3-11(12)13)19(16,17)15-9-4-6-14-7-5-9/h2-8H,1H3,(H,14,15)","SVMJGTPCPPSBGO-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12783",15015,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276958","COc1cc(ccc1N1CCN(CC1)C(=O)CO)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C31H32N6O5/c1-40-28-15-20(2-4-26(28)36-8-10-37(11-9-36)29(39)18-38)25-16-24-30(33-19-34-31(24)35-25)21-3-5-27(22(14-21)17-32)42-23-6-12-41-13-7-23/h2-5,14-16,19,23,38H,6-13,18H2,1H3,(H,33,34,35)","CRTQNZPWVJVSDE-UHFFFAOYSA-N",null,1.09,{"$nulls":4},7]
["D12784",17744,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276966","COc1cc(ccc1N1CCN(CC1)C1COC1)-c1cc2c(ncnc2[nH]1)-c1ccc(N2CC[C@@H](O)C2)c(c1)C#N","InChI=1S/C31H33N7O3/c1-40-29-13-20(2-5-28(29)37-10-8-36(9-11-37)23-17-41-18-23)26-14-25-30(33-19-34-31(25)35-26)21-3-4-27(22(12-21)15-32)38-7-6-24(39)16-38/h2-5,12-14,19,23-24,39H,6-11,16-18H2,1H3,(H,33,34,35)/t24-/m1/s1","PPLYZIXDSCRZFR-XMMPIXPASA-N",null,2.03]
["D12785",14444,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276965","COc1cc(ccc1N1CCN(CC1)C1COC1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2(F)F)C(=O)CO)c(c1)C#N","InChI=1S/C34H35F2N7O5/c1-46-29-13-21(2-4-27(29)42-10-8-41(9-11-42)24-17-47-18-24)26-14-25-32(38-20-39-33(25)40-26)22-3-5-28(23(12-22)15-37)48-30-6-7-43(31(45)16-44)19-34(30,35)36/h2-5,12-14,20,24,30,44H,6-11,16-19H2,1H3,(H,38,39,40)","LNIVPTBCCJSTCB-UHFFFAOYSA-N",null,0.763,{"$nulls":4},7]
["D12786",14563,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276964","COc1cc(ccc1N1CCN(CC1)C1COC1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCNCC2(F)F)c(c1)C#N","InChI=1S/C32H33F2N7O3/c1-42-28-13-20(2-4-26(28)41-10-8-40(9-11-41)23-16-43-17-23)25-14-24-30(37-19-38-31(24)39-25)21-3-5-27(22(12-21)15-35)44-29-6-7-36-18-32(29,33)34/h2-5,12-14,19,23,29,36H,6-11,16-18H2,1H3,(H,37,38,39)","WTRFGRRHMCNXPV-UHFFFAOYSA-N",null,3.55]
["D12787",15010,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276967","COc1cc(ccc1N1CCN(CC1)C1COC1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C32H34N6O4/c1-39-30-15-21(2-4-28(30)38-10-8-37(9-11-38)24-18-41-19-24)27-16-26-31(34-20-35-32(26)36-27)22-3-5-29(23(14-22)17-33)42-25-6-12-40-13-7-25/h2-5,14-16,20,24-25H,6-13,18-19H2,1H3,(H,34,35,36)","NRQATTKRQXGWKI-UHFFFAOYSA-N",null,1.02]
["D12788",14570,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276963","COc1cc(ccc1N1CCN(CC1)C1COC1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCS(=O)(=O)CC2)c(c1)C#N","InChI=1S/C32H34N6O5S/c1-41-30-15-21(2-4-28(30)38-10-8-37(9-11-38)24-18-42-19-24)27-16-26-31(34-20-35-32(26)36-27)22-3-5-29(23(14-22)17-33)43-25-6-12-44(39,40)13-7-25/h2-5,14-16,20,24-25H,6-13,18-19H2,1H3,(H,34,35,36)","OWTXNTZZHGTTPX-UHFFFAOYSA-N",null,3.68]
["D12789",15012,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276969","COc1cc(ccc1N1CCN(CC1)C1COC1)-c1cc2c(ncnc2[nH]1)-c1ccc(O[C@H]2CCN(C[C@H]2F)C(=O)CO)c(c1)C#N","InChI=1S/C34H36FN7O5/c1-45-31-13-21(2-4-28(31)41-10-8-40(9-11-41)24-18-46-19-24)27-14-25-33(37-20-38-34(25)39-27)22-3-5-29(23(12-22)15-36)47-30-6-7-42(16-26(30)35)32(44)17-43/h2-5,12-14,20,24,26,30,43H,6-11,16-19H2,1H3,(H,37,38,39)/t26-,30+/m1/s1","HVZSQXWYDLQJTQ-VIZCGCQYSA-N",null,1.05]
["D12790",14836,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276968","COc1cc(ccc1N1CCN(CC1)C1COC1)-c1cc2c(ncnc2[nH]1)-c1ccc(O[C@H]2CCNC[C@H]2F)c(c1)C#N","InChI=1S/C32H34FN7O3/c1-41-30-13-20(2-4-27(30)40-10-8-39(9-11-40)23-17-42-18-23)26-14-24-31(36-19-37-32(24)38-26)21-3-5-28(22(12-21)15-34)43-29-6-7-35-16-25(29)33/h2-5,12-14,19,23,25,29,35H,6-11,16-18H2,1H3,(H,36,37,38)/t25-,29+/m1/s1","BGXAJMOKNLNIKN-IRPSRAIASA-N",null,6.17]
["D12791",18266,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276959","COc1cc(ccc1N1CCN(CC1)S(C)(=O)=O)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C30H32N6O5S/c1-39-28-16-20(3-5-26(28)35-9-11-36(12-10-35)42(2,37)38)25-17-24-29(32-19-33-30(24)34-25)21-4-6-27(22(15-21)18-31)41-23-7-13-40-14-8-23/h3-6,15-17,19,23H,7-14H2,1-2H3,(H,32,33,34)","BONUPFNAVKLWCH-UHFFFAOYSA-N",null,2.28]
["D12792",15633,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276995","COc1cc(ccc1N1CCOCC1)-c1cc2c(c(F)cnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C30H29FN4O4/c1-36-28-15-19(2-4-26(28)35-8-12-38-13-9-35)25-16-23-29(24(31)18-33-30(23)34-25)20-3-5-27(21(14-20)17-32)39-22-6-10-37-11-7-22/h2-5,14-16,18,22H,6-13H2,1H3,(H,33,34)","BGAUWQRNGCAKTK-UHFFFAOYSA-N",null,30.2,{"$nulls":4},7]
["D12793",14459,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276949","COc1cc(ccc1N1CCOCC1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)CO)c(c1)C#N","InChI=1S/C31H32N6O5/c1-40-28-15-20(2-4-26(28)36-10-12-41-13-11-36)25-16-24-30(33-19-34-31(24)35-25)21-3-5-27(22(14-21)17-32)42-23-6-8-37(9-7-23)29(39)18-38/h2-5,14-16,19,23,38H,6-13,18H2,1H3,(H,33,34,35)","XZIIRCPKAFVFHW-UHFFFAOYSA-N",null,0.9]
["D12794",15389,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276946","COc1cc(ccc1N1CCOCC1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCNCC2)c(c1)C#N","InChI=1S/C29H30N6O3/c1-36-27-15-19(2-4-25(27)35-10-12-37-13-11-35)24-16-23-28(32-18-33-29(23)34-24)20-3-5-26(21(14-20)17-30)38-22-6-8-31-9-7-22/h2-5,14-16,18,22,31H,6-13H2,1H3,(H,32,33,34)","AZBYFLYSUMYTKS-UHFFFAOYSA-N",null,21.2]
["D12795",14980,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276960","COc1cc(ccc1N1CCOCC1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C29H29N5O4/c1-35-27-15-19(2-4-25(27)34-8-12-37-13-9-34)24-16-23-28(31-18-32-29(23)33-24)20-3-5-26(21(14-20)17-30)38-22-6-10-36-11-7-22/h2-5,14-16,18,22H,6-13H2,1H3,(H,31,32,33)","LZVZBSNKTPVPEB-UHFFFAOYSA-N",null,1]
["D12796",25929,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM482158","COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1","InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)","QQWUGDVOUVUTOY-UHFFFAOYSA-N",null,null,">10000"]
["D12797",4840,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50280372","COc1cc(ccc1OC(C)C)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1","InChI=1S/C20H19F3N4O4/c1-12(2)30-17-7-4-13(8-18(17)29-3)19(28)26-15-9-14(31-20(21,22)23)5-6-16(15)27-11-24-10-25-27/h4-12H,1-3H3,(H,26,28)","PLBFRTZUKAUTAA-UHFFFAOYSA-N",null,776]
["D12798",3888,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM47907","COc1cc(ccc1OC(F)F)C1CC(=NN1C(=O)CCl)c1cccs1","InChI=1S/C17H15ClF2N2O3S/c1-24-14-7-10(4-5-13(14)25-17(19)20)12-8-11(15-3-2-6-26-15)21-22(12)16(23)9-18/h2-7,12,17H,8-9H2,1H3","DUDITNSSGPGFJY-UHFFFAOYSA-N",{"$nulls":3},50550]
["D12799",4834,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50280370","COc1cc(ccc1OC1CC1)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1","InChI=1S/C20H17F3N4O4/c1-29-18-8-12(2-7-17(18)30-13-3-4-13)19(28)26-15-9-14(31-20(21,22)23)5-6-16(15)27-11-24-10-25-27/h2,5-11,13H,3-4H2,1H3,(H,26,28)","NKFXNBZYAWFRIF-UHFFFAOYSA-N",null,708]
["D12800",4868,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50523889","COc1cc(ccc1OC1CCC1)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-n1cncn1","InChI=1S/C22H18F3N5O4/c1-31-19-9-13(5-8-18(19)32-14-3-2-4-14)20-28-29-21(33-20)16-10-15(34-22(23,24)25)6-7-17(16)30-12-26-11-27-30/h5-12,14H,2-4H2,1H3","UHDQBUUFXYSLNU-UHFFFAOYSA-N",null,1550]
["D12801",4861,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50280367","COc1cc(ccc1OC1CCCC1)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1","InChI=1S/C22H21F3N4O4/c1-31-20-10-14(6-9-19(20)32-15-4-2-3-5-15)21(30)28-17-11-16(33-22(23,24)25)7-8-18(17)29-13-26-12-27-29/h6-13,15H,2-5H2,1H3,(H,28,30)","CMYVXIGUBXGCLK-UHFFFAOYSA-N",null,1349]
["D12802",4914,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50531688","COc1cc(ccc1OCC(C)(C)C)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1","InChI=1S/C22H23F3N4O4/c1-21(2,3)11-32-18-8-5-14(9-19(18)31-4)20(30)28-16-10-15(33-22(23,24)25)6-7-17(16)29-13-26-12-27-29/h5-10,12-13H,11H2,1-4H3,(H,28,30)","CCVWKNAWSWXFGT-UHFFFAOYSA-N",null,"<10000"]
["D12803",4851,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50531680","COc1cc(ccc1OCC(C)C)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1","InChI=1S/C21H21F3N4O4/c1-13(2)10-31-18-7-4-14(8-19(18)30-3)20(29)27-16-9-15(32-21(22,23)24)5-6-17(16)28-12-25-11-26-28/h4-9,11-13H,10H2,1-3H3,(H,27,29)","PXTYVRGVEDPVEG-UHFFFAOYSA-N",null,1200]
["D12804",4939,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50531679","COc1cc(ccc1OCC(F)(F)F)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1","InChI=1S/C19H14F6N4O4/c1-31-16-6-11(2-5-15(16)32-8-18(20,21)22)17(30)28-13-7-12(33-19(23,24)25)3-4-14(13)29-10-26-9-27-29/h2-7,9-10H,8H2,1H3,(H,28,30)","TYXNXDGXXLIIGR-UHFFFAOYSA-N",null,"<31623"]
["D12805",4947,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM196907","COc1cc(ccc1OCC(O)=O)C(O)P(O)(=O)CC[C@@H](N)C(O)=O","InChI=1S/C14H20NO9P/c1-23-11-6-8(2-3-10(11)24-7-12(16)17)14(20)25(21,22)5-4-9(15)13(18)19/h2-3,6,9,14,20H,4-5,7,15H2,1H3,(H,16,17)(H,18,19)(H,21,22)/t9-,14?/m1/s1","LNLCIHWIBXKXQU-UCWRFOARSA-N",{"$nulls":3},11500]
["D12806",4857,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50523878","COc1cc(ccc1OCC1CC1)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-n1cncn1","InChI=1S/C22H18F3N5O4/c1-31-19-8-14(4-7-18(19)32-10-13-2-3-13)20-28-29-21(33-20)16-9-15(34-22(23,24)25)5-6-17(16)30-12-26-11-27-30/h4-9,11-13H,2-3,10H2,1H3","RLFCRRZRBILIJF-UHFFFAOYSA-N",null,1310]
["D12807",4817,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50531687","COc1cc(ccc1OCC1CC1)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1","InChI=1S/C21H19F3N4O4/c1-30-19-8-14(4-7-18(19)31-10-13-2-3-13)20(29)27-16-9-15(32-21(22,23)24)5-6-17(16)28-12-25-11-26-28/h4-9,11-13H,2-3,10H2,1H3,(H,27,29)","IQNLJJLZIVCGFI-UHFFFAOYSA-N",null,347]
["D12808",4863,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50531681","COc1cc(ccc1OCC1CCC1)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1","InChI=1S/C22H21F3N4O4/c1-31-20-9-15(5-8-19(20)32-11-14-3-2-4-14)21(30)28-17-10-16(33-22(23,24)25)6-7-18(17)29-13-26-12-27-29/h5-10,12-14H,2-4,11H2,1H3,(H,28,30)","POHUKMIUKAFPEH-UHFFFAOYSA-N",null,1400]
["D12809",4881,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50531682","COc1cc(ccc1OCC1CCCC1)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1","InChI=1S/C23H23F3N4O4/c1-32-21-10-16(6-9-20(21)33-12-15-4-2-3-5-15)22(31)29-18-11-17(34-23(24,25)26)7-8-19(18)30-14-27-13-28-30/h6-11,13-15H,2-5,12H2,1H3,(H,29,31)","IEIVDJOQPSGERM-UHFFFAOYSA-N",null,2800]
["D12810",4886,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50531683","COc1cc(ccc1OCc1ccccc1)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1","InChI=1S/C24H19F3N4O4/c1-33-22-11-17(7-10-21(22)34-13-16-5-3-2-4-6-16)23(32)30-19-12-18(35-24(25,26)27)8-9-20(19)31-15-28-14-29-31/h2-12,14-15H,13H2,1H3,(H,30,32)","DDCRMMMYFUJBST-UHFFFAOYSA-N",null,3090]
["D12811",11850,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43002","COc1cc(ccc1OCc1ccccc1)C1CC(=O)N2CN(Cc3ccccc3)CSC2=C1C#N","InChI=1S/C29H27N3O3S/c1-34-27-14-23(12-13-26(27)35-18-22-10-6-3-7-11-22)24-15-28(33)32-19-31(17-21-8-4-2-5-9-21)20-36-29(32)25(24)16-30/h2-14,24H,15,17-20H2,1H3","LZLBQWNYNRVULB-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D12812",15636,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478285","COc1cc(ccn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C27H29N7O2/c1-36-25-16-21(7-9-29-25)20-4-5-22-23(15-20)31-27(30-22)32-24-14-18(6-8-28-24)17-33-10-12-34(13-11-33)26(35)19-2-3-19/h4-9,14-16,19H,2-3,10-13,17H2,1H3,(H2,28,30,31,32)","TWQGUVTUFXOUCF-UHFFFAOYSA-N",null,30.7]
["D12813",16402,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478526","COc1cc(ccn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1OCC(C)C","InChI=1S/C31H37N7O3/c1-20(2)19-41-29-24(23-9-11-33-27(17-23)40-3)6-7-25-28(29)36-31(34-25)35-26-16-21(8-10-32-26)18-37-12-14-38(15-13-37)30(39)22-4-5-22/h6-11,16-17,20,22H,4-5,12-15,18-19H2,1-3H3,(H2,32,34,35,36)","ZECSKZYAHHQBPI-UHFFFAOYSA-N",null,217]
["D12814",15761,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478287","COc1cc(ccn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CCC4)ccn3)[nH]c2c1","InChI=1S/C28H31N7O2/c1-37-26-17-22(8-10-30-26)21-5-6-23-24(16-21)32-28(31-23)33-25-15-19(7-9-29-25)18-34-11-13-35(14-12-34)27(36)20-3-2-4-20/h5-10,15-17,20H,2-4,11-14,18H2,1H3,(H2,29,31,32,33)","WPRNEENGDFTGSD-UHFFFAOYSA-N",null,43.4]
["D12815",15701,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478286","COc1cc(ccn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C26H26F3N7O2/c1-38-23-14-19(5-7-31-23)18-2-3-20-21(13-18)33-25(32-20)34-22-12-17(4-6-30-22)16-35-8-10-36(11-9-35)24(37)15-26(27,28)29/h2-7,12-14H,8-11,15-16H2,1H3,(H2,30,32,33,34)","WIKKZRKBGSMRPL-UHFFFAOYSA-N",null,36.8]
["D12816",15800,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478288","COc1cc(ccn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC4CC4)ccn3)[nH]c2c1","InChI=1S/C28H31N7O2/c1-37-26-17-22(7-9-30-26)21-4-5-23-24(16-21)32-28(31-23)33-25-14-20(6-8-29-25)18-34-10-12-35(13-11-34)27(36)15-19-2-3-19/h4-9,14,16-17,19H,2-3,10-13,15,18H2,1H3,(H2,29,31,32,33)","NNZNULMUOVHEIZ-UHFFFAOYSA-N",null,49.8]
["D12817",16282,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478284","COc1cc(ccn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C28H33N7O3/c1-28(2,3)38-27(36)35-13-11-34(12-14-35)18-19-7-9-29-24(15-19)33-26-31-22-6-5-20(16-23(22)32-26)21-8-10-30-25(17-21)37-4/h5-10,15-17H,11-14,18H2,1-4H3,(H2,29,31,32,33)","DUPJDZHVCQHPTO-UHFFFAOYSA-N",null,131]
["D12818",4892,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50523888","COc1cc(cnc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-n1cncn1","InChI=1S/C18H13F3N6O4/c1-28-14-5-10(7-23-17(14)29-2)15-25-26-16(30-15)12-6-11(31-18(19,20)21)3-4-13(12)27-9-22-8-24-27/h3-9H,1-2H3","AWOCZGDZTBWFLA-UHFFFAOYSA-N",null,4380]
["D12819",17406,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478887","COc1cc(nc(C)n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C26H27F3N8O2/c1-16-31-20(13-23(32-16)39-2)18-3-4-19-21(12-18)34-25(33-19)35-22-11-17(5-6-30-22)15-36-7-9-37(10-8-36)24(38)14-26(27,28)29/h3-6,11-13H,7-10,14-15H2,1-2H3,(H2,30,33,34,35)","CIWKGGJXOAJSPC-UHFFFAOYSA-N",null,3580]
["D12820",15317,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478833","COc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C26H28N8O2/c1-36-24-14-21(28-16-29-24)19-4-5-20-22(13-19)31-26(30-20)32-23-12-17(6-7-27-23)15-33-8-10-34(11-9-33)25(35)18-2-3-18/h4-7,12-14,16,18H,2-3,8-11,15H2,1H3,(H2,27,30,31,32)","KYNRVYYSUJVHHD-UHFFFAOYSA-N",null,18]
["D12821",15335,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478832","COc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C25H25F3N8O2/c1-38-22-12-19(30-15-31-22)17-2-3-18-20(11-17)33-24(32-18)34-21-10-16(4-5-29-21)14-35-6-8-36(9-7-35)23(37)13-25(26,27)28/h2-5,10-12,15H,6-9,13-14H2,1H3,(H2,29,32,33,34)","SXBLGEJAGSAORX-UHFFFAOYSA-N",null,19]
["D12822",15815,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478445","COc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C27H32N8O3/c1-27(2,3)38-26(36)35-11-9-34(10-12-35)16-18-7-8-28-23(13-18)33-25-31-20-6-5-19(14-22(20)32-25)21-15-24(37-4)30-17-29-21/h5-8,13-15,17H,9-12,16H2,1-4H3,(H2,28,31,32,33)","INLIZUNBQFWAFO-UHFFFAOYSA-N",null,50.6]
["D12823",15028,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478447","COc1cc(ncn1)-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)C3CC3)[nH]c2c1",{"$nulls":3},9.1]
["D12824",15146,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478446","COc1cc(ncn1)-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)CC(F)(F)F)[nH]c2c1",{"$nulls":3},12.4]
["D12825",15788,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478450","COc1cc(ncn1)-c1ccc2nc(Nc3cc(ccn3)[C@@H](C)N3CCN(CC3)C(=O)C3CC3)[nH]c2c1",{"$nulls":3},46.4]
["D12826",15140,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478448","COc1cc(ncn1)-c1ccc2nc(Nc3cc(ccn3)[C@@H](C)N3CCN(CC3)C(=O)CC(F)(F)F)[nH]c2c1",{"$nulls":3},12.1]
["D12827",14896,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478451","COc1cc(ncn1)-c1ccc2nc(Nc3cc(ccn3)[C@H](C)N3CCN(CC3)C(=O)C3CC3)[nH]c2c1",{"$nulls":3},7.22]
["D12828",15813,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478449","COc1cc(ncn1)-c1ccc2nc(Nc3cc(ccn3)[C@H](C)N3CCN(CC3)C(=O)CC(F)(F)F)[nH]c2c1",{"$nulls":3},50.1]
["D12829",11802,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM6761","COc1cc2C(CNC(=O)c2cc1OC)NC(=O)C(F)(F)F","InChI=1S/C13H13F3N2O4/c1-21-9-3-6-7(4-10(9)22-2)11(19)17-5-8(6)18-12(20)13(14,15)16/h3-4,8H,5H2,1-2H3,(H,17,19)(H,18,20)","SGZWNPAIMZNPEF-UHFFFAOYSA-N",null,2621]
["D12830",4767,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66687","COc1cc2CC(=O)NC(c3ccccc3Br)c2cc1OC","InChI=1S/C17H16BrNO3/c1-21-14-7-10-8-16(20)19-17(12(10)9-15(14)22-2)11-5-3-4-6-13(11)18/h3-7,9,17H,8H2,1-2H3,(H,19,20)","WSMLFFKXPIRZOB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12831",11948,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43081","COc1cc2CC(C)(C)N=C(Nc3ccc(cc3)S(N)(=O)=O)c2cc1OC","InChI=1S/C19H23N3O4S/c1-19(2)11-12-9-16(25-3)17(26-4)10-15(12)18(22-19)21-13-5-7-14(8-6-13)27(20,23)24/h5-10H,11H2,1-4H3,(H,21,22)(H2,20,23,24)","OSHJRPYLZGBDIW-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D12832",3859,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66784","COc1cc2CCC(NC(C)=O)c3cc(=O)c(O)ccc3-c2c(OC)c1OC","InChI=1S/C21H23NO6/c1-11(23)22-15-7-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13-6-8-16(24)17(25)10-14(13)15/h6,8-10,15H,5,7H2,1-4H3,(H,22,23)(H,24,25)","PRGILOMAMBLWNG-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12833",4491,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66459","COc1cc2CCN(C(C)c2cc1OC)C(=O)c1cc2COc3ccccc3-c2s1","InChI=1S/C24H23NO4S/c1-14-18-12-21(28-3)20(27-2)10-15(18)8-9-25(14)24(26)22-11-16-13-29-19-7-5-4-6-17(19)23(16)30-22/h4-7,10-12,14H,8-9,13H2,1-3H3","USRNXPXBHWOPRO-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12834",12168,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87304","COc1cc2CCN(C(C)c2cc1OC)C(=O)c1cccc(c1)[N+]([O-])=O","InChI=1S/C19H20N2O5/c1-12-16-11-18(26-3)17(25-2)10-13(16)7-8-20(12)19(22)14-5-4-6-15(9-14)21(23)24/h4-6,9-12H,7-8H2,1-3H3","AWWIWXNJNCIQQU-UHFFFAOYSA-N",null,7215]
["D12835",28448,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50377863","COc1cc2CCN(C)[C@@H](CCC[C@@H]3N(C)CCc4cc(OC)c(OC)cc34)c2cc1OC","InChI=1S/C27H38N2O4/c1-28-12-10-18-14-24(30-3)26(32-5)16-20(18)22(28)8-7-9-23-21-17-27(33-6)25(31-4)15-19(21)11-13-29(23)2/h14-17,22-23H,7-13H2,1-6H3/t22-,23-/m0/s1","MULXFGRQRGZGNO-GOTSBHOMSA-N",null,3000]
["D12836",32352,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396668","COc1cc2CCN(Cc2cc1OC)S(=O)(=O)c1cccc(c1)C(O)=O","InChI=1S/C18H19NO6S/c1-24-16-9-12-6-7-19(11-14(12)10-17(16)25-2)26(22,23)15-5-3-4-13(8-15)18(20)21/h3-5,8-10H,6-7,11H2,1-2H3,(H,20,21)","SVZVMJLYVBNRKX-UHFFFAOYSA-N",null,">30000"]
["D12837",25758,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50366799","COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4","InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1/t28-,29+/m0/s1","JFJZZMVDLULRGK-URLMMPGGSA-O",null,7500]
["D12838",12349,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87277","COc1cc2[nH]c3c(Cl)ncnc3c2cc1OC","InChI=1S/C12H10ClN3O2/c1-17-8-3-6-7(4-9(8)18-2)16-11-10(6)14-5-15-12(11)13/h3-5,16H,1-2H3","ZYTJYVLZFZPVOG-UHFFFAOYSA-N",null,">35907"]
["D12839",25452,"7e88_L",0.3,"Spike protein S1","DNA polymerase kappa","Homo sapiens","BDBM50375300","COc1cc2c(C(=O)OC22C(C)CC(=O)C2=O)c(O)c1","InChI=1S/C14H12O6/c1-6-3-10(16)12(17)14(6)8-4-7(19-2)5-9(15)11(8)13(18)20-14/h4-6,15H,3H2,1-2H3","RHTVEOLOMRDENY-UHFFFAOYSA-N",null,86500]
["D12840",25930,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM21","COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1","InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)","UHTHHESEBZOYNR-UHFFFAOYSA-N",null,null,">10000"]
["D12841",25907,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM50355504","COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1","InChI=1S/C34H36F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3,5-9,12,19-22H,2,4,10-11,13-18H2,1H3,(H,38,41)(H,39,42)","SEJGTFPOEJWEGG-UHFFFAOYSA-N",null,null,">10000"]
["D12842",25910,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM50331096","COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1","InChI=1S/C25H27FN4O3/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30/h6-7,12-15,29H,3-5,8-11H2,1-2H3","XXJWYDDUDKYVKI-UHFFFAOYSA-N",null,null,">10000"]
["D12843",4773,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66693","COc1cc2c(c(C)oc2cc1C=NNC(N)=S)-c1ccccc1","InChI=1S/C18H17N3O2S/c1-11-17(12-6-4-3-5-7-12)14-9-15(22-2)13(8-16(14)23-11)10-20-21-18(19)24/h3-10H,1-2H3,(H3,19,21,24)","GHMMMPFXCQHEHS-UHFFFAOYSA-N",{"$nulls":3},133700]
["D12844",4487,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66456","COc1cc2c(cc1NC(=O)COC(=O)\\C=C\\c1ccccc1)oc1ccccc21","InChI=1S/C24H19NO5/c1-28-22-13-18-17-9-5-6-10-20(17)30-21(18)14-19(22)25-23(26)15-29-24(27)12-11-16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,25,26)/b12-11+","IYLYMRXZRNIDDB-VAWYXSNFSA-N",{"$nulls":3},74040]
["D12845",12284,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM50579","COc1cc2c(ccc3cc(OC)c(OC)c(O)c23)cc1O","InChI=1S/C17H16O5/c1-20-13-8-11-9(6-12(13)18)4-5-10-7-14(21-2)17(22-3)16(19)15(10)11/h4-8,18-19H,1-3H3","RFECGRRPIZBKMD-UHFFFAOYSA-N",null,26733]
["D12846",25893,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM13535","COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1","InChI=1S/C31H42N6O4/c1-23(2)41-25-10-8-24(9-11-25)34-31(38)37-17-15-36(16-18-37)30-26-20-28(39-3)29(21-27(26)32-22-33-30)40-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,38)","UXXQOJXBIDBUAC-UHFFFAOYSA-N",null,null,">10000"]
["D12847",3806,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66737","COc1cc2c3CCNC(=O)c3[nH]c2cc1F","InChI=1S/C12H11FN2O2/c1-17-10-4-7-6-2-3-14-12(16)11(6)15-9(7)5-8(10)13/h4-5,15H,2-3H2,1H3,(H,14,16)","XXHZZFPPMBYCIH-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12848",4146,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67032","COc1cc2cnc(-c3ccccc3)c(-c3cccc(c3)C(F)(F)F)c2cc1OC","InChI=1S/C24H18F3NO2/c1-29-20-12-17-14-28-23(15-7-4-3-5-8-15)22(19(17)13-21(20)30-2)16-9-6-10-18(11-16)24(25,26)27/h3-14H,1-2H3","NOPDHOZGIJMWDL-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12849",32027,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67140","COc1cc2nc(CN3CCOCC3)n(Cc3cc(no3)-c3ccccc3OC)c(=O)c2cc1OC","InChI=1S/C26H28N4O6/c1-32-22-7-5-4-6-18(22)21-12-17(36-28-21)15-30-25(16-29-8-10-35-11-9-29)27-20-14-24(34-3)23(33-2)13-19(20)26(30)31/h4-7,12-14H,8-11,15-16H2,1-3H3","YALFILZXFILKCV-UHFFFAOYSA-N",null,">55690"]
["D12850",32026,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67139","COc1cc2nc(CN3CCOCC3)n(Cc3coc(n3)-c3ccccc3)c(=O)c2cc1OC","InChI=1S/C25H26N4O5/c1-31-21-12-19-20(13-22(21)32-2)27-23(15-28-8-10-33-11-9-28)29(25(19)30)14-18-16-34-24(26-18)17-6-4-3-5-7-17/h3-7,12-13,16H,8-11,14-15H2,1-2H3","NELKEAWFPPEHQD-UHFFFAOYSA-N",null,">55690"]
["D12851",32025,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67138","COc1cc2nc(CN3CCOCC3)n(Cc3nnc(o3)-c3ccc(Cl)cc3)c(=O)c2cc1OC","InChI=1S/C24H24ClN5O5/c1-32-19-11-17-18(12-20(19)33-2)26-21(13-29-7-9-34-10-8-29)30(24(17)31)14-22-27-28-23(35-22)15-3-5-16(25)6-4-15/h3-6,11-12H,7-10,13-14H2,1-2H3","MIFDHNGLWHIPER-UHFFFAOYSA-N",null,">55690"]
["D12852",15922,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM27452","COc1cc2ncn(-c3cc(OCc4ccccc4S(C)(=O)=O)c(s3)C#N)c2cc1OC","InChI=1S/C22H19N3O5S2/c1-28-17-8-15-16(9-18(17)29-2)25(13-24-15)22-10-19(20(11-23)31-22)30-12-14-6-4-5-7-21(14)32(3,26)27/h4-10,13H,12H2,1-3H3","LDTAHRLHGHFHKP-UHFFFAOYSA-N",null,72]
["D12853",3834,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM50177114","COc1cc2ncnc(NCc3ccc(F)cc3)c2cc1OC","InChI=1S/C17H16FN3O2/c1-22-15-7-13-14(8-16(15)23-2)20-10-21-17(13)19-9-11-3-5-12(18)6-4-11/h3-8,10H,9H2,1-2H3,(H,19,20,21)","LASSDHMCHFNZJI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12854",25886,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM5447","COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1","InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)","XGALLCVXEZPNRQ-UHFFFAOYSA-N",null,null,">10000"]
["D12855",12113,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87357","COc1cc2oc(=O)cc(-c3ccc(cc3)-c3ccc(CO)cc3)c2c(OC)c1OC","InChI=1S/C25H22O6/c1-28-21-13-20-23(25(30-3)24(21)29-2)19(12-22(27)31-20)18-10-8-17(9-11-18)16-6-4-15(14-26)5-7-16/h4-13,26H,14H2,1-3H3","MRSPXNJWQUJJQK-UHFFFAOYSA-N",null,4569]
["D12856",4175,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67058","COc1cc2sc(c(C(=O)NCCCCO)c2cc1OC)-c1ccc(cc1)S(C)(=O)=O","InChI=1S/C22H25NO6S2/c1-28-17-12-16-19(13-18(17)29-2)30-21(20(16)22(25)23-10-4-5-11-24)14-6-8-15(9-7-14)31(3,26)27/h6-9,12-13,24H,4-5,10-11H2,1-3H3,(H,23,25)","FTSJIFLMLWRMMN-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12857",3825,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66754","COc1cc2sc3ccc(cc3c(=O)c2cc1OC)C#Cc1ccc(N)cc1","InChI=1S/C23H17NO3S/c1-26-19-12-18-22(13-20(19)27-2)28-21-10-7-15(11-17(21)23(18)25)4-3-14-5-8-16(24)9-6-14/h5-13H,24H2,1-2H3","QPNBICQUNGLKFI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12858",15123,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM10111","COc1cc[nH]c1\\C=C1/C(=O)Nc2ccc(F)c(C#CC3(O)CCNCC3)c12","InChI=1S/C21H20FN3O3/c1-28-18-5-9-24-17(18)12-14-19-13(4-6-21(27)7-10-23-11-8-21)15(22)2-3-16(19)25-20(14)26/h2-3,5,9,12,23-24,27H,7-8,10-11H2,1H3,(H,25,26)/b14-12-","OIINJADYHQPDPP-OWBHPGMISA-N",null,12]
["D12859",15765,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153753","COc1cc[nH]c1\\C=C1/C(=O)Nc2ccc(F)c(C#C[C@H](O)[C@H](N)[C@H](C)O)c12",{"$nulls":3},44]
["D12860",14486,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153755","COc1cc[nH]c1\\C=C1/C(=O)Nc2ccc(c(N3CC[C@H](O)C3)c12)[N+]([O-])=O",{"$nulls":3},3]
["D12861",5021,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50283484","COc1ccc(-c2c(C)nn3c(cc(C)nc23)C(F)(F)F)c(F)c1","InChI=1S/C16H13F4N3O/c1-8-6-13(16(18,19)20)23-15(21-8)14(9(2)22-23)11-5-4-10(24-3)7-12(11)17/h4-7H,1-3H3","TWINRHZBWTXHQZ-UHFFFAOYSA-N",{"$nulls":3},1660]
["D12862",5042,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50283472","COc1ccc(-c2c(C)nn3c(cc(C)nc23)C(F)(F)F)c(F)c1F","InChI=1S/C16H12F5N3O/c1-7-6-11(16(19,20)21)24-15(22-7)12(8(2)23-24)9-4-5-10(25-3)14(18)13(9)17/h4-6H,1-3H3","NYBZCKAQIIPSDS-UHFFFAOYSA-N",{"$nulls":3},646]
["D12863",16309,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569865","COc1ccc(-c2c[nH]c3nccc(Oc4c(F)cc(NC5=NCC(C)(CO)CO5)cc4F)c23)c(F)c1",{"$nulls":3},150]
["D12864",17945,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569929","COc1ccc(-c2c[nH]c3nccc(Oc4c(F)cc(NC5=NCC(C)(CO)CO5)cc4F)c23)c(c1)C#N",{"$nulls":3},">20000"]
["D12865",14769,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276955","COc1ccc(-c2cc3c(ncnc3[nH]2)-c2ccc(OC3CCN(CC3)C(=O)CO)c(c2)C#N)c(C)c1","InChI=1S/C28H27N5O4/c1-17-11-21(36-2)4-5-22(17)24-13-23-27(30-16-31-28(23)32-24)18-3-6-25(19(12-18)14-29)37-20-7-9-33(10-8-20)26(35)15-34/h3-6,11-13,16,20,34H,7-10,15H2,1-2H3,(H,30,31,32)","MZUYZYAQDFGDQX-UHFFFAOYSA-N",null,5.68]
["D12866",3866,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66790","COc1ccc(-c2csc(NC(=O)Cc3ccccc3F)n2)c(OC)c1","InChI=1S/C19H17FN2O3S/c1-24-13-7-8-14(17(10-13)25-2)16-11-26-19(21-16)22-18(23)9-12-5-3-4-6-15(12)20/h3-8,10-11H,9H2,1-2H3,(H,21,22,23)","TYXMIOCZZCLLLS-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12867",4931,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50523883","COc1ccc(-c2nnc(o2)-c2cc(OC(F)(F)F)ccc2-n2cncn2)c(F)c1F","InChI=1S/C18H10F5N5O3/c1-29-13-5-3-10(14(19)15(13)20)16-26-27-17(30-16)11-6-9(31-18(21,22)23)2-4-12(11)28-8-24-7-25-28/h2-8H,1H3","GQSIJIZTJDSDQV-UHFFFAOYSA-N",null,">30000"]
["D12868",12047,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43178","COc1ccc(Br)cc1C(=O)N\\N=C\\c1ccc(cc1)[N+]([O-])=O","InChI=1S/C15H12BrN3O4/c1-23-14-7-4-11(16)8-13(14)15(20)18-17-9-10-2-5-12(6-3-10)19(21)22/h2-9H,1H3,(H,18,20)/b17-9+","WZOUDNOILSMWED-RQZCQDPDSA-N",{"$nulls":3},">79370"]
["D12869",32167,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43607","COc1ccc(Br)cc1C(=O)Nc1cccc(C)c1","InChI=1S/C15H14BrNO2/c1-10-4-3-5-12(8-10)17-15(18)13-9-11(16)6-7-14(13)19-2/h3-9H,1-2H3,(H,17,18)","BNFHUDLXTLRZHV-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D12870",32075,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46360","COc1ccc(Br)cc1C(C)=NNC1=NCCN1","InChI=1S/C12H15BrN4O/c1-8(16-17-12-14-5-6-15-12)10-7-9(13)3-4-11(10)18-2/h3-4,7H,5-6H2,1-2H3,(H2,14,15,17)","WECQZDGNZQWMJJ-UHFFFAOYSA-N",null,">55700"]
["D12871",4065,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66959","COc1ccc(C(=O)COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c(OC)c1","InChI=1S/C20H18N2O7/c1-27-12-7-8-15(17(9-12)28-2)16(23)11-29-18(24)10-22-20(26)14-6-4-3-5-13(14)19(25)21-22/h3-9H,10-11H2,1-2H3,(H,21,25)","BUJPNXVKPYMLAG-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12872",4558,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66510","COc1ccc(C(=O)\\C=C\\C(=O)N(CC(=O)NC2CCCCC2)Cc2cccs2)c(O)c1","InChI=1S/C24H28N2O5S/c1-31-18-9-10-20(22(28)14-18)21(27)11-12-24(30)26(15-19-8-5-13-32-19)16-23(29)25-17-6-3-2-4-7-17/h5,8-14,17,28H,2-4,6-7,15-16H2,1H3,(H,25,29)/b12-11+","GMGQPJXAWKHBEW-VAWYXSNFSA-N",{"$nulls":3},">350000"]
["D12873",3488,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565013","COc1ccc(C)c(c1)C1CCc2c(C1)cnn(-c1ccccn1)c2=O","InChI=1S/C21H21N3O2/c1-14-6-8-17(26-2)12-19(14)15-7-9-18-16(11-15)13-23-24(21(18)25)20-5-3-4-10-22-20/h3-6,8,10,12-13,15H,7,9,11H2,1-2H3","GAYCQEHVGJGNBH-UHFFFAOYSA-N",null,"<500"]
["D12874",3475,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564999","COc1ccc(C)c(c1)C1CCc2c(C1)cnn(-c1ncc(C)cn1)c2=O","InChI=1S/C21H22N4O2/c1-13-10-22-21(23-11-13)25-20(26)18-7-5-15(8-16(18)12-24-25)19-9-17(27-3)6-4-14(19)2/h4,6,9-12,15H,5,7-8H2,1-3H3","QDTUVWIOCHOXPH-UHFFFAOYSA-N",null,"<500"]
["D12875",3476,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565001","COc1ccc(C)c(c1)C1CCc2c(C1)cnn(-c1ncc(Cl)cn1)c2=O","InChI=1S/C20H19ClN4O2/c1-12-3-5-16(27-2)8-18(12)13-4-6-17-14(7-13)9-24-25(19(17)26)20-22-10-15(21)11-23-20/h3,5,8-11,13H,4,6-7H2,1-2H3","MOAWBANGDSMKID-UHFFFAOYSA-N",null,"<500"]
["D12876",3581,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565058","COc1ccc(C)c(c1)C1CCc2c(C1)cnn(-c1ncc(cn1)C1CC1)c2=O","InChI=1S/C23H24N4O2/c1-14-3-7-19(29-2)10-21(14)16-6-8-20-17(9-16)13-26-27(22(20)28)23-24-11-18(12-25-23)15-4-5-15/h3,7,10-13,15-16H,4-6,8-9H2,1-2H3","GWOQZTZHUIHJFK-UHFFFAOYSA-N",null,750]
["D12877",3498,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565031","COc1ccc(C)c(c1)C1CCc2c(C1)cnn(-c1ncccn1)c2=O","InChI=1S/C20H20N4O2/c1-13-4-6-16(26-2)11-18(13)14-5-7-17-15(10-14)12-23-24(19(17)25)20-21-8-3-9-22-20/h3-4,6,8-9,11-12,14H,5,7,10H2,1-2H3","HGORVKOIZOQNCP-UHFFFAOYSA-N",null,"<500"]
["D12878",32047,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46342","COc1ccc(C)cc1-n1nnnc1SCn1nnc2ccccc2c1=O","InChI=1S/C17H15N7O2S/c1-11-7-8-15(26-2)14(9-11)24-17(19-20-22-24)27-10-23-16(25)12-5-3-4-6-13(12)18-21-23/h3-9H,10H2,1-2H3","HLDJHWGOBLAADY-UHFFFAOYSA-N",null,">55700"]
["D12879",3494,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565027","COc1ccc(C)cc1C1CCc2c(C1)cnn(-c1ncccn1)c2=O","InChI=1S/C20H20N4O2/c1-13-4-7-18(26-2)17(10-13)14-5-6-16-15(11-14)12-23-24(19(16)25)20-21-8-3-9-22-20/h3-4,7-10,12,14H,5-6,11H2,1-2H3","HEUSLVOJIIFWBD-UHFFFAOYSA-N",null,"<500"]
["D12880",32000,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67106","COc1ccc(C)cc1NC(=O)C(N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1)c1ccccc1","InChI=1S/C26H28FN3O4S/c1-19-8-13-24(34-2)23(18-19)28-26(31)25(20-6-4-3-5-7-20)29-14-16-30(17-15-29)35(32,33)22-11-9-21(27)10-12-22/h3-13,18,25H,14-17H2,1-2H3,(H,28,31)","YLVBBJIYRSQDDG-UHFFFAOYSA-N",null,">55690"]
["D12881",31755,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM30793","COc1ccc(C)cc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C","InChI=1S/C17H20N2O3/c1-9-6-7-14(22-5)13(8-9)19-17(21)16-10(2)15(12(4)20)11(3)18-16/h6-8,18H,1-5H3,(H,19,21)","RSDXSMRSFNWWSD-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D12882",12228,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87272","COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2cc(ccc2C)[N+]([O-])=O)S(C)(=O)=O)cc1","InChI=1S/C24H26N4O8S2/c1-16-5-12-23(36-3)21(13-16)26-38(34,35)20-10-7-18(8-11-20)25-24(29)15-27(37(4,32)33)22-14-19(28(30)31)9-6-17(22)2/h5-14,26H,15H2,1-4H3,(H,25,29)","AIHXAEAQXONHQA-UHFFFAOYSA-N",null,10901]
["D12883",30,"7dx1_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403038","COc1ccc(C)cc1S(=O)(=O)N1CCCc2ccc(cc12)C(=O)Nc1ccc(CC(O)=O)cc1","InChI=1S/C26H26N2O6S/c1-17-5-12-23(34-2)24(14-17)35(32,33)28-13-3-4-19-8-9-20(16-22(19)28)26(31)27-21-10-6-18(7-11-21)15-25(29)30/h5-12,14,16H,3-4,13,15H2,1-2H3,(H,27,31)(H,29,30)","SQOXYOBZJLLXKB-UHFFFAOYSA-N",null,2800]
["D12884",4791,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66710","COc1ccc(C)cc1S(=O)(=O)n1cnc2ccccc12","InChI=1S/C15H14N2O3S/c1-11-7-8-14(20-2)15(9-11)21(18,19)17-10-16-12-5-3-4-6-13(12)17/h3-10H,1-2H3","BCZAVYVHCOLHTM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12885",4377,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM49341","COc1ccc(C2CC(=NCCS2)c2c(O)cc(C)oc2=O)c(OC)c1","InChI=1S/C19H21NO5S/c1-11-8-15(21)18(19(22)25-11)14-10-17(26-7-6-20-14)13-5-4-12(23-2)9-16(13)24-3/h4-5,8-9,17,21H,6-7,10H2,1-3H3","NHFIAAAMCYVRIW-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12886",3501,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565038","COc1ccc(C2CCc3c(C2)cnn(-c2ncccn2)c3=O)c(C)c1","InChI=1S/C20H20N4O2/c1-13-10-16(26-2)5-7-17(13)14-4-6-18-15(11-14)12-23-24(19(18)25)20-21-8-3-9-22-20/h3,5,7-10,12,14H,4,6,11H2,1-2H3","PYQPHXWSJNDFJB-UHFFFAOYSA-N",null,"<500"]
["D12887",32201,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43640","COc1ccc(C2N(CCc3c2[nH]c2ccccc32)C(=O)c2cc3ncccn3n2)c(F)c1","InChI=1S/C25H20FN5O2/c1-33-15-7-8-18(19(26)13-15)24-23-17(16-5-2-3-6-20(16)28-23)9-12-30(24)25(32)21-14-22-27-10-4-11-31(22)29-21/h2-8,10-11,13-14,24,28H,9,12H2,1H3","ZHAHLWWSJCREDB-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D12888",32197,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43636","COc1ccc(C2N(CCc3c2[nH]c2ccccc32)C(=O)c2ccc(=O)n(C)n2)c(F)c1","InChI=1S/C24H21FN4O3/c1-28-21(30)10-9-20(27-28)24(31)29-12-11-16-15-5-3-4-6-19(15)26-22(16)23(29)17-8-7-14(32-2)13-18(17)25/h3-10,13,23,26H,11-12H2,1-2H3","NWMQZMNBUNZAKF-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D12889",4766,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM61114","COc1ccc(C=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)cc1OC","InChI=1S/C23H30O3/c1-22(2,3)17-12-16(13-18(21(17)24)23(4,5)6)11-15-9-10-19(25-7)20(14-15)26-8/h9-14H,1-8H3","HMZXLCKUQUILES-UHFFFAOYSA-N",{"$nulls":3},5770]
["D12890",31874,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46422","COc1ccc(C=NNC(=S)Nc2cccc(c2)C(O)=O)cc1","InChI=1S/C16H15N3O3S/c1-22-14-7-5-11(6-8-14)10-17-19-16(23)18-13-4-2-3-12(9-13)15(20)21/h2-10H,1H3,(H,20,21)(H2,18,19,23)","OTUKGIWQURYYMZ-UHFFFAOYSA-N",null,32590]
["D12891",32107,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46400","COc1ccc(C=NNC(=S)Nc2ccccc2[N+]([O-])=O)cc1O","InChI=1S/C15H14N4O4S/c1-23-14-7-6-10(8-13(14)20)9-16-18-15(24)17-11-4-2-3-5-12(11)19(21)22/h2-9,20H,1H3,(H2,17,18,24)","BTFZMLMPBYKRGU-UHFFFAOYSA-N",null,">55700"]
["D12892",3840,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66766","COc1ccc(CC(=O)NCCN2CCOCC2)cc1","InChI=1S/C15H22N2O3/c1-19-14-4-2-13(3-5-14)12-15(18)16-6-7-17-8-10-20-11-9-17/h2-5H,6-12H2,1H3,(H,16,18)","OXDKSCXAFCESTP-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12893",12014,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43145","COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3cccc(F)c3)n2C)cc1","InChI=1S/C21H22FN5O3S/c1-27-18(12-23-19(28)10-14-6-8-17(30-2)9-7-14)25-26-21(27)31-13-20(29)24-16-5-3-4-15(22)11-16/h3-9,11H,10,12-13H2,1-2H3,(H,23,28)(H,24,29)","WVKBSHCMPSEFRW-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D12894",4253,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66254","COc1ccc(CC(=O)Nc2ccc3CCCc3c2)cc1S(=O)(=O)N1CCOCC1","InChI=1S/C22H26N2O5S/c1-28-20-8-5-16(13-21(20)30(26,27)24-9-11-29-12-10-24)14-22(25)23-19-7-6-17-3-2-4-18(17)15-19/h5-8,13,15H,2-4,9-12,14H2,1H3,(H,23,25)","LUXASBNHNAQRQV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12895",32134,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46427","COc1ccc(CC(=O)Nc2cccc(SC)c2)cc1OC","InChI=1S/C17H19NO3S/c1-20-15-8-7-12(9-16(15)21-2)10-17(19)18-13-5-4-6-14(11-13)22-3/h4-9,11H,10H2,1-3H3,(H,18,19)","BTWQQJSPCWAOAO-UHFFFAOYSA-N",null,">55700"]
["D12896",31715,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM31347","COc1ccc(CC(=O)Nc2cccc(c2)-c2nnc(o2)-c2cccc(C)c2)cc1OC","InChI=1S/C25H23N3O4/c1-16-6-4-7-18(12-16)24-27-28-25(32-24)19-8-5-9-20(15-19)26-23(29)14-17-10-11-21(30-2)22(13-17)31-3/h4-13,15H,14H2,1-3H3,(H,26,29)","NZNDHONHDGUXHY-UHFFFAOYSA-N",null,11350]
["D12897",25659,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50476030","COc1ccc(CC2N(C)CCc3cc(OC)c(OC)c(OC)c23)cc1OC","InChI=1S/C22H29NO5/c1-23-10-9-15-13-19(26-4)21(27-5)22(28-6)20(15)16(23)11-14-7-8-17(24-2)18(12-14)25-3/h7-8,12-13,16H,9-11H2,1-6H3","LLALSPNIDWQWQM-UHFFFAOYSA-N",5800]
["D12898",28578,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM92478","COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3C2Cc2ccc(OC)c(OC)c2)cc1OC","InChI=1S/C53H72N2O12/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3/q+2","YXSLJKQTIDHPOT-UHFFFAOYSA-N",5900]
["D12899",25656,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50475212","COc1ccc(CC2c3cccc(Br)c3CC[N+]2(C)C)cc1OC","InChI=1S/C20H25BrNO2/c1-22(2)11-10-15-16(6-5-7-17(15)21)18(22)12-14-8-9-19(23-3)20(13-14)24-4/h5-9,13,18H,10-12H2,1-4H3/q+1","DFZPTBCGDPDLJR-UHFFFAOYSA-N",4900]
["D12900",25661,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50475207","COc1ccc(CC2c3cccc(Cl)c3CC[N+]2(C)C)cc1OC","InChI=1S/C20H25ClNO2/c1-22(2)11-10-15-16(6-5-7-17(15)21)18(22)12-14-8-9-19(23-3)20(13-14)24-4/h5-9,13,18H,10-12H2,1-4H3/q+1","QXLBOXZJSUKEDU-UHFFFAOYSA-N",7600]
["D12901",4911,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50531677","COc1ccc(CCCNc2cc(Cl)ccc2-n2cncn2)cc1OC","InChI=1S/C19H21ClN4O2/c1-25-18-8-5-14(10-19(18)26-2)4-3-9-22-16-11-15(20)6-7-17(16)24-13-21-12-23-24/h5-8,10-13,22H,3-4,9H2,1-2H3","JWPZKNKCBMPDDI-UHFFFAOYSA-N",null,">10000"]
["D12902",4870,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50531691","COc1ccc(CCCNc2cc(OC(F)(F)F)ccc2-n2cncn2)cc1OC","InChI=1S/C20H21F3N4O3/c1-28-18-8-5-14(10-19(18)29-2)4-3-9-25-16-11-15(30-20(21,22)23)6-7-17(16)27-13-24-12-26-27/h5-8,10-13,25H,3-4,9H2,1-2H3","FHCSGFCICRLMJX-UHFFFAOYSA-N",null,1600]
["D12903",12360,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42892","COc1ccc(CCN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)c2ccco2)cc1OC","InChI=1S/C24H23N3O5/c1-30-19-10-9-16(14-21(19)31-2)11-12-27(24(29)20-8-5-13-32-20)15-22-25-18-7-4-3-6-17(18)23(28)26-22/h3-10,13-14H,11-12,15H2,1-2H3,(H,25,26,28)","DGTDSQWQYNGFBG-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D12904",4248,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM37551","COc1ccc(CCNC(=O)C2=COCCO2)cc1","InChI=1S/C14H17NO4/c1-17-12-4-2-11(3-5-12)6-7-15-14(16)13-10-18-8-9-19-13/h2-5,10H,6-9H2,1H3,(H,15,16)","VTJYCOVVGVZHRG-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12905",3800,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66732","COc1ccc(CCNC(=O)C2CCCN2C(=O)Nc2ccc(Cl)cc2)cc1OC","InChI=1S/C22H26ClN3O4/c1-29-19-10-5-15(14-20(19)30-2)11-12-24-21(27)18-4-3-13-26(18)22(28)25-17-8-6-16(23)7-9-17/h5-10,14,18H,3-4,11-13H2,1-2H3,(H,24,27)(H,25,28)","IKJSJGKGRNUBSF-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12906",4006,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66909","COc1ccc(CCNC(=O)CCOc2ccc(C)cc2)cc1OC","InChI=1S/C20H25NO4/c1-15-4-7-17(8-5-15)25-13-11-20(22)21-12-10-16-6-9-18(23-2)19(14-16)24-3/h4-9,14H,10-13H2,1-3H3,(H,21,22)","BZJBAKQMOVGJJW-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12907",4194,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67077","COc1ccc(CCNC(=O)COC(=O)c2cnc(Cl)c(Cl)c2)cc1","InChI=1S/C17H16Cl2N2O4/c1-24-13-4-2-11(3-5-13)6-7-20-15(22)10-25-17(23)12-8-14(18)16(19)21-9-12/h2-5,8-9H,6-7,10H2,1H3,(H,20,22)","VSOOACOIJIZKKX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12908",4444,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66422","COc1ccc(CCNC(=O)CSc2nc(ccc2C#N)-c2ccc(OC)c(OC)c2)cc1","InChI=1S/C25H25N3O4S/c1-30-20-8-4-17(5-9-20)12-13-27-24(29)16-33-25-19(15-26)6-10-21(28-25)18-7-11-22(31-2)23(14-18)32-3/h4-11,14H,12-13,16H2,1-3H3,(H,27,29)","JKILBFWBXCIJCD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12909",31814,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43522","COc1ccc(CCNC(=O)Cn2c3ccsc3c(=O)n(-c3ccc(F)cc3)c2=O)cc1OC","InChI=1S/C24H22FN3O5S/c1-32-19-8-3-15(13-20(19)33-2)9-11-26-21(29)14-27-18-10-12-34-22(18)23(30)28(24(27)31)17-6-4-16(25)5-7-17/h3-8,10,12-13H,9,11,14H2,1-2H3,(H,26,29)","OIQDCULIPTUVMZ-UHFFFAOYSA-N",null,14050]
["D12910",32383,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50509745","COc1ccc(CCNC(=O)c2cc(CC=C(C)C)cc(\\C=C\\C(O)=O)c2)cc1","InChI=1S/C24H27NO4/c1-17(2)4-5-19-14-20(8-11-23(26)27)16-21(15-19)24(28)25-13-12-18-6-9-22(29-3)10-7-18/h4,6-11,14-16H,5,12-13H2,1-3H3,(H,25,28)(H,26,27)/b11-8+","XJXJDTCRWFDELL-DHZHZOJOSA-N",null,72000]
["D12911",12304,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM62681","COc1ccc(CCNC(=O)c2nnn(c2N)-c2ccc3OCCOc3c2)cc1OC","InChI=1S/C21H23N5O5/c1-28-15-5-3-13(11-17(15)29-2)7-8-23-21(27)19-20(22)26(25-24-19)14-4-6-16-18(12-14)31-10-9-30-16/h3-6,11-12H,7-10,22H2,1-2H3,(H,23,27)","GFTDUGFNPKHYDV-UHFFFAOYSA-N",null,">35866"]
["D12912",3885,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66807","COc1ccc(CCNCC(C)c2ccccc2)cc1","InChI=1S/C18H23NO/c1-15(17-6-4-3-5-7-17)14-19-13-12-16-8-10-18(20-2)11-9-16/h3-11,15,19H,12-14H2,1-2H3","NFKCMKGPQFAQSP-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12913",32345,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396712","COc1ccc(CCNS(=O)(=O)c2cccc(c2)C(O)=O)cc1","InChI=1S/C16H17NO5S/c1-22-14-7-5-12(6-8-14)9-10-17-23(20,21)15-4-2-3-13(11-15)16(18)19/h2-8,11,17H,9-10H2,1H3,(H,18,19)","MGQWOBOTHZAJFG-UHFFFAOYSA-N",null,">30000"]
["D12914",3442,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Microtubule-associated protein tau","Bos taurus","BDBM142852","COc1ccc(CCNc2nc(cc(=O)n2C)-c2ncncc2F)cc1OC","InChI=1S/C19H20FN5O3/c1-25-17(26)9-14(18-13(20)10-21-11-23-18)24-19(25)22-7-6-12-4-5-15(27-2)16(8-12)28-3/h4-5,8-11H,6-7H2,1-3H3,(H,22,24)","YLMQKVFDDXTWFZ-UHFFFAOYSA-N",null,75.3,{"$nulls":4},6.5,"25.00 C"]
["D12915",32115,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43535","COc1ccc(CCNc2ncnc3cc(OC)c(OC)cc23)cc1OC","InChI=1S/C20H23N3O4/c1-24-16-6-5-13(9-17(16)25-2)7-8-21-20-14-10-18(26-3)19(27-4)11-15(14)22-12-23-20/h5-6,9-12H,7-8H2,1-4H3,(H,21,22,23)","QECYXZZAYWHQKA-UHFFFAOYSA-N",null,">55700"]
["D12916",4423,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66338","COc1ccc(CN2CCCCC2C)cc1C","InChI=1S/C15H23NO/c1-12-10-14(7-8-15(12)17-3)11-16-9-5-4-6-13(16)2/h7-8,10,13H,4-6,9,11H2,1-3H3","MKJXJNCXFZHYPV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12917",26035,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1/alpha-1B/alpha-2/delta-1","Rattus norvegicus","BDBM50095765","COc1ccc(CN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)c(OC)c1OC","InChI=1S/C27H30F2N2O3/c1-32-24-13-8-21(26(33-2)27(24)34-3)18-30-14-16-31(17-15-30)25(19-4-9-22(28)10-5-19)20-6-11-23(29)12-7-20/h4-13,25H,14-18H2,1-3H3","JQSAYKKFZOSZGJ-UHFFFAOYSA-N",null,90]
["D12918",31804,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43601","COc1ccc(CN2CCN(CC2)S(=O)(=O)c2ccc(C)cc2)cc1Br","InChI=1S/C19H23BrN2O3S/c1-15-3-6-17(7-4-15)26(23,24)22-11-9-21(10-12-22)14-16-5-8-19(25-2)18(20)13-16/h3-8,13H,9-12,14H2,1-2H3","MXPFZKGBTAPXGI-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D12919",4768,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66688","COc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2CCO)c(F)c1","InChI=1S/C23H27FN2O3/c1-28-20-7-6-18(22(24)13-20)14-26-10-9-25(15-19(26)8-11-27)16-21-12-17-4-2-3-5-23(17)29-21/h2-7,12-13,19,27H,8-11,14-16H2,1H3","ZSPPXBJXVAIHRA-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12920",39,"7dx1_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM80613","COc1ccc(CN2CCNCC2)c(OC)c1OC","InChI=1S/C14H22N2O3/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16/h4-5,15H,6-10H2,1-3H3","UHWVSEOVJBQKBE-UHFFFAOYSA-N",null,">100000"]
["D12921",669,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575756","COc1ccc(CN2CCP(O)(=O)C(CCCCN)(C2)C(O)=O)cc1","InChI=1S/C17H27N2O5P/c1-24-15-6-4-14(5-7-15)12-19-10-11-25(22,23)17(13-19,16(20)21)8-2-3-9-18/h4-7H,2-3,8-13,18H2,1H3,(H,20,21)(H,22,23)","FXOKEWONEPPFLB-UHFFFAOYSA-N",null,3104]
["D12922",13875,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19307346","COc1ccc(CN2CCP(O)(=O)C(CCCCN)(C2)C(O)=O)cc2","InChI=1S/C17H27N2O5P/c1-24-15-6-4-14(5-7-15)12-19-10-11-25(22,23)17(13-19,16(20)21)8-2-3-9-18/h4-7H,2-3,8-13,18H2,1H3,(H,20,21)(H,22,23)","FXOKEWONEPPFLB-UHFFFAOYSA-N",-33509.0477574561,9386.60229885058,33780.954095814,{"$nulls":3},6.73738348974734]
["D12923",4426,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66340","COc1ccc(CNC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1","InChI=1S/C23H23ClN2O4S/c1-30-21-13-9-18(10-14-21)15-25-23(27)17-26(16-19-7-11-20(24)12-8-19)31(28,29)22-5-3-2-4-6-22/h2-14H,15-17H2,1H3,(H,25,27)","IMNQHPILJNJHSI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12924",3900,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66821","COc1ccc(CNC(=O)Cc2cccs2)cc1OC","InChI=1S/C15H17NO3S/c1-18-13-6-5-11(8-14(13)19-2)10-16-15(17)9-12-4-3-7-20-12/h3-8H,9-10H2,1-2H3,(H,16,17)","STRNETJOZOQLLA-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12925",633,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089738","COc1ccc(CNC(=O)[C@@H](CC2CCCCC2)NC(=O)N[C@@H](CCCCN)C(O)=O)cc1","InChI=1S/C24H38N4O5/c1-33-19-12-10-18(11-13-19)16-26-22(29)21(15-17-7-3-2-4-8-17)28-24(32)27-20(23(30)31)9-5-6-14-25/h10-13,17,20-21H,2-9,14-16,25H2,1H3,(H,26,29)(H,30,31)(H2,27,28,32)/t20-,21+/m0/s1","VEDZNKIGSSHCLR-LEWJYISDSA-N",null,900]
["D12926",13839,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19300324","COc1ccc(CNC(=O)[C@@H](CC2CCCCC2)NC(=O)N[C@@H](CCCCN)C(O)=O)cc2","InChI=1S/C24H38N4O5/c1-33-19-12-10-18(11-13-19)16-26-22(29)21(15-17-7-3-2-4-8-17)28-24(32)27-20(23(30)31)9-5-6-14-25/h10-13,17,20-21H,2-9,14-16,25H2,1H3,(H,26,29)(H,30,31)(H2,27,28,32)/t20-,21+/m0/s2","VEDZNKIGSSHCLR-LEWJYISDSA-N",-29831.2739468138,3082.24529526282,33758.1124847765,{"$nulls":3},6.73736760036101]
["D12927",32379,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50509763","COc1ccc(CNC(=O)c2cc(CC=C(C)C)cc(\\C=C\\C(O)=O)c2)cc1","InChI=1S/C23H25NO4/c1-16(2)4-5-18-12-19(8-11-22(25)26)14-20(13-18)23(27)24-15-17-6-9-21(28-3)10-7-17/h4,6-14H,5,15H2,1-3H3,(H,24,27)(H,25,26)/b11-8+","PTODWLIUCPDCTN-DHZHZOJOSA-N",null,60000]
["D12928",3810,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66741","COc1ccc(CNCc2ccc(cc2)[N+]([O-])=O)cc1OC","InChI=1S/C16H18N2O4/c1-21-15-8-5-13(9-16(15)22-2)11-17-10-12-3-6-14(7-4-12)18(19)20/h3-9,17H,10-11H2,1-2H3","LHKGKXFAHOOVHB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12929",4752,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66676","COc1ccc(CNS(=O)(=O)c2ccccc2Br)cc1","InChI=1S/C14H14BrNO3S/c1-19-12-8-6-11(7-9-12)10-16-20(17,18)14-5-3-2-4-13(14)15/h2-9,16H,10H2,1H3","OAULOUZAWYTKAF-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12930",4904,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50531690","COc1ccc(CNc2cc(Cl)ccc2-n2cncn2)cc1OC","InChI=1S/C17H17ClN4O2/c1-23-16-6-3-12(7-17(16)24-2)9-20-14-8-13(18)4-5-15(14)22-11-19-10-21-22/h3-8,10-11,20H,9H2,1-2H3","QQMXZFDAWDECOG-UHFFFAOYSA-N",null,7900]
["D12931",4900,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50531686","COc1ccc(CNc2cc(OC(F)(F)F)ccc2-n2cncn2)cc1OC","InChI=1S/C18H17F3N4O3/c1-26-16-6-3-12(7-17(16)27-2)9-23-14-8-13(28-18(19,20)21)4-5-15(14)25-11-22-10-24-25/h3-8,10-11,23H,9H2,1-2H3","IMBMYMGPIPOBBY-UHFFFAOYSA-N",null,5888]
["D12932",12240,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM7572","COc1ccc(CNc2ncc(-c3ccc(F)cc3)n2C)c2ccccc12","InChI=1S/C22H20FN3O/c1-26-20(15-7-10-17(23)11-8-15)14-25-22(26)24-13-16-9-12-21(27-2)19-6-4-3-5-18(16)19/h3-12,14H,13H2,1-2H3,(H,24,25)","SFFVPSXFJCQJCA-UHFFFAOYSA-N",null,11606]
["D12933",31884,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43537","COc1ccc(CNc2ncnc3cc(Cl)ccc23)cc1OC","InChI=1S/C17H16ClN3O2/c1-22-15-6-3-11(7-16(15)23-2)9-19-17-13-5-4-12(18)8-14(13)20-10-21-17/h3-8,10H,9H2,1-2H3,(H,19,20,21)","BHSLTHRDHTUJHS-UHFFFAOYSA-N",null,42630]
["D12934",12177,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87335","COc1ccc(COC(=O)C2C(NC(=O)N=C2C)c2ccc(F)cc2)cc1","InChI=1S/C20H19FN2O4/c1-12-17(19(24)27-11-13-3-9-16(26-2)10-4-13)18(23-20(25)22-12)14-5-7-15(21)8-6-14/h3-10,17-18H,11H2,1-2H3,(H,23,25)","ZGOWFDNGFMMSOX-UHFFFAOYSA-N",null,7714]
["D12935",25917,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM32362","COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1","InChI=1S/C20H22N4O3/c1-25-16-6-3-13(4-7-16)12-27-17-8-5-14(10-18(17)26-2)9-15-11-23-20(22)24-19(15)21/h3-8,10-11H,9,12H2,1-2H3,(H4,21,22,23,24)","MYQAUKPBNJWPIE-UHFFFAOYSA-N",null,null,">10000"]
["D12936",4757,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM63919","COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)cc1","InChI=1S/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/t12-,13+,14+/m1/s1","YKJYKKNCCRKFSL-RDBSUJKOSA-N",{"$nulls":3},">350000"]
["D12937",25644,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50199404","COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)C)cc1OC","InChI=1S/C22H30NO4/c1-23(2)10-9-16-13-21(26-5)22(27-6)14-17(16)18(23)11-15-7-8-19(24-3)20(12-15)25-4/h7-8,12-14,18H,9-11H2,1-6H3/q+1/t18-/m0/s1","RVBHVIRGZXRPRX-SFHVURJKSA-N",1295]
["D12938",12134,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM6284","COc1ccc(Cc2nnc(SCc3ccc(cc3)[N+]([O-])=O)o2)cc1","InChI=1S/C17H15N3O4S/c1-23-15-8-4-12(5-9-15)10-16-18-19-17(24-16)25-11-13-2-6-14(7-3-13)20(21)22/h2-9H,10-11H2,1H3","TUTFKQIOTHPXAR-UHFFFAOYSA-N",null,5527]
["D12939",3493,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565026","COc1ccc(Cl)c(c1)C1CCc2c(C1)cnn(-c1ncccn1)c2=O","InChI=1S/C19H17ClN4O2/c1-26-14-4-6-17(20)16(10-14)12-3-5-15-13(9-12)11-23-24(18(15)25)19-21-7-2-8-22-19/h2,4,6-8,10-12H,3,5,9H2,1H3","QAWNKOBTMJCJEA-UHFFFAOYSA-N",null,"<500"]
["D12940",31780,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43578","COc1ccc(Cl)cc1-c1nc(no1)-c1ccc(Br)o1","InChI=1S/C13H8BrClN2O3/c1-18-9-3-2-7(15)6-8(9)13-16-12(17-20-13)10-4-5-11(14)19-10/h2-6H,1H3","LJXLLSYFTLNIAS-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D12941",31803,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43600","COc1ccc(Cl)cc1NC(=O)Nc1ccc(Br)cn1","InChI=1S/C13H11BrClN3O2/c1-20-11-4-3-9(15)6-10(11)17-13(19)18-12-5-2-8(14)7-16-12/h2-7H,1H3,(H2,16,17,18,19)","KCIQJNQNZPMFAT-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D12942",31765,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM40021","COc1ccc(Cl)cc1NC(=O)c1oc(C)nc1C","InChI=1S/C13H13ClN2O3/c1-7-12(19-8(2)15-7)13(17)16-10-6-9(14)4-5-11(10)18-3/h4-6H,1-3H3,(H,16,17)","QDTHQOSTOYYFHN-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D12943",40,"7dx1_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403039","COc1ccc(Cl)cc1S(=O)(=O)N1CC(Oc2ccc(cc12)C(=O)Nc1cccc(F)c1)C(O)=O","InChI=1S/C23H18ClFN2O7S/c1-33-19-8-6-14(24)10-21(19)35(31,32)27-12-20(23(29)30)34-18-7-5-13(9-17(18)27)22(28)26-16-4-2-3-15(25)11-16/h2-11,20H,12H2,1H3,(H,26,28)(H,29,30)","RMZZHWOSLFWWAJ-UHFFFAOYSA-N",null,">100000"]
["D12944",29,"7dx1_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403040","COc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccc(cc12)C(=O)Nc1ccc(cc1)C(O)=O","InChI=1S/C23H19ClN2O6S/c1-32-20-9-6-17(24)13-21(20)33(30,31)26-11-10-14-2-3-16(12-19(14)26)22(27)25-18-7-4-15(5-8-18)23(28)29/h2-9,12-13H,10-11H2,1H3,(H,25,27)(H,28,29)","SPZKHICEEDMLAD-UHFFFAOYSA-N",null,740]
["D12945",4282,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM51805","COc1ccc(Cn2c(SCc3ccc(C)cc3)nc3cc(OC)c(OC)cc3c2=N)cc1Cl","InChI=1S/C26H26ClN3O3S/c1-16-5-7-17(8-6-16)15-34-26-29-21-13-24(33-4)23(32-3)12-19(21)25(28)30(26)14-18-9-10-22(31-2)20(27)11-18/h5-13,28H,14-15H2,1-4H3","NQYGTTYTHFNECU-UHFFFAOYSA-N",{"$nulls":3},40490]
["D12946",11946,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43079","COc1ccc(Cn2c(nc3n(C)c4ccccc4c(=O)c3c2=O)-c2ccc(C)cc2)cc1","InChI=1S/C27H23N3O3/c1-17-8-12-19(13-9-17)25-28-26-23(24(31)21-6-4-5-7-22(21)29(26)2)27(32)30(25)16-18-10-14-20(33-3)15-11-18/h4-15H,16H2,1-3H3","IOSDOFGJEOWJHD-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D12947",3503,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565041","COc1ccc(F)c(C2CCc3c(C2)cnn(-c2ncccn2)c3=O)c1F","InChI=1S/C19H16F2N4O2/c1-27-15-6-5-14(20)16(17(15)21)11-3-4-13-12(9-11)10-24-25(18(13)26)19-22-7-2-8-23-19/h2,5-8,10-11H,3-4,9H2,1H3","QXSARNOVZDDKOU-UHFFFAOYSA-N",null,"<500"]
["D12948",25881,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM12621","COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N","InChI=1S/C18H21F2N5O4S/c1-29-13-4-3-12(19)15(20)14(13)16(26)11-9-22-18(24-17(11)21)23-10-5-7-25(8-6-10)30(2,27)28/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24)","JRNJNYBQQYBCLE-UHFFFAOYSA-N",null,null,">10000"]
["D12949",3492,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565025","COc1ccc(F)c(c1)C1CCc2c(C1)cnn(-c1ncccn1)c2=O","InChI=1S/C19H17FN4O2/c1-26-14-4-6-17(20)16(10-14)12-3-5-15-13(9-12)11-23-24(18(15)25)19-21-7-2-8-22-19/h2,4,6-8,10-12H,3,5,9H2,1H3","AAMZOYABWIGNHK-UHFFFAOYSA-N",null,"<500"]
["D12950",5082,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50547325","COc1ccc(F)c2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N","InChI=1S/C21H18F2N4O/c1-28-18-7-6-16(23)19-20(18)25-13-14(12-24)21(19)27-10-8-26(9-11-27)17-5-3-2-4-15(17)22/h2-7,13H,8-11H2,1H3","RGMNAZCIPIHYKY-UHFFFAOYSA-N",{"$nulls":3},">10000"]
["D12951",15739,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379367","COc1ccc(F)cc1-c1nc2ncc(Br)c(NCCCNC(=O)C3CCC3)c2[nH]1","InChI=1S/C21H23BrFN5O2/c1-30-16-7-6-13(23)10-14(16)19-27-18-17(15(22)11-26-20(18)28-19)24-8-3-9-25-21(29)12-4-2-5-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,25,29)(H2,24,26,27,28)","RWFVTYXPQZEJCN-UHFFFAOYSA-N",null,40]
["D12952",4466,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66437","COc1ccc(N=C(NC(=O)Nc2ccc(Cl)c(Cl)c2)Nc2nc(C)cc(C)n2)c(OC)c1","InChI=1S/C22H22Cl2N6O3/c1-12-9-13(2)26-20(25-12)29-21(28-18-8-6-15(32-3)11-19(18)33-4)30-22(31)27-14-5-7-16(23)17(24)10-14/h5-11H,1-4H3,(H3,25,26,27,28,29,30,31)","VVSOQKOHTCASCG-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12953",4786,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66705","COc1ccc(NC(=O)C(=O)NN=Cc2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)c(OC)c1","InChI=1S/C26H27N5O7/c1-15-5-6-17(11-16(15)2)29-24(33)23(32)27-13-19-7-8-20(38-19)14-28-31-26(35)25(34)30-21-10-9-18(36-3)12-22(21)37-4/h5-12,14H,13H2,1-4H3,(H,27,32)(H,29,33)(H,30,34)(H,31,35)","NSOLINYWDYMPAC-UHFFFAOYSA-N",{"$nulls":3},14340]
["D12954",4403,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM41591","COc1ccc(NC(=O)C(Cl)=C(Cl)S(=O)Cc2ccc(C)cc2)cn1","InChI=1S/C17H16Cl2N2O3S/c1-11-3-5-12(6-4-11)10-25(23)16(19)15(18)17(22)21-13-7-8-14(24-2)20-9-13/h3-9H,10H2,1-2H3,(H,21,22)","UKBGNIASULYWLD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12955",4281,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66387","COc1ccc(NC(=O)C(NC(C)=O)C(=O)NCc2ccccc2Cl)cc1","InChI=1S/C19H20ClN3O4/c1-12(24)22-17(18(25)21-11-13-5-3-4-6-16(13)20)19(26)23-14-7-9-15(27-2)10-8-14/h3-10,17H,11H2,1-2H3,(H,21,25)(H,22,24)(H,23,26)","TXOFVFQMFYRMNE-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12956",4072,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66966","COc1ccc(NC(=O)CN(C)C(=O)\\C=C\\c2ccc(cc2)S(=O)(=O)N2CCCCCC2)cc1","InChI=1S/C25H31N3O5S/c1-27(19-24(29)26-21-10-12-22(33-2)13-11-21)25(30)16-9-20-7-14-23(15-8-20)34(31,32)28-17-5-3-4-6-18-28/h7-16H,3-6,17-19H2,1-2H3,(H,26,29)/b16-9+","YKIWOYNIBWQAOT-CXUHLZMHSA-N",{"$nulls":3},">350000"]
["D12957",3801,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66733","COc1ccc(NC(=O)CN2CCC(CC2)NC(=O)c2ccc(OC)cc2)cc1","InChI=1S/C22H27N3O4/c1-28-19-7-3-16(4-8-19)22(27)24-18-11-13-25(14-12-18)15-21(26)23-17-5-9-20(29-2)10-6-17/h3-10,18H,11-15H2,1-2H3,(H,23,26)(H,24,27)","KBTKFJGPBVXKNZ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12958",4268,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66263","COc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1Cl","InChI=1S/C21H24Cl2N4O3/c1-30-19-7-6-15(12-17(19)23)24-20(28)13-26-8-10-27(11-9-26)14-21(29)25-18-5-3-2-4-16(18)22/h2-7,12H,8-11,13-14H2,1H3,(H,24,28)(H,25,29)","CSWNAIQISZHXCX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12959",11933,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43193","COc1ccc(NC(=O)COC(=O)c2cccc(c2)S(=O)(=O)N(C)C)cc1","InChI=1S/C18H20N2O6S/c1-20(2)27(23,24)16-6-4-5-13(11-16)18(22)26-12-17(21)19-14-7-9-15(25-3)10-8-14/h4-11H,12H2,1-3H3,(H,19,21)","NELBHZCZNQLZPK-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D12960",11883,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43031","COc1ccc(NC(=O)CSc2ccc3-c4ccccc4C(=O)c4cccc2c34)cc1","InChI=1S/C26H19NO3S/c1-30-17-11-9-16(10-12-17)27-24(28)15-31-23-14-13-19-18-5-2-3-6-20(18)26(29)22-8-4-7-21(23)25(19)22/h2-14H,15H2,1H3,(H,27,28)","DHGLAYBCLKFLFD-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D12961",3928,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66843","COc1ccc(NC(=O)CSc2nc3ccc(Nc4nc(nc(n4)N4CCOCC4)N4CCOCC4)cc3s2)cc1","InChI=1S/C27H30N8O4S2/c1-37-20-5-2-18(3-6-20)28-23(36)17-40-27-30-21-7-4-19(16-22(21)41-27)29-24-31-25(34-8-12-38-13-9-34)33-26(32-24)35-10-14-39-15-11-35/h2-7,16H,8-15,17H2,1H3,(H,28,36)(H,29,31,32,33)","XAYBGZWXMSUFMR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12962",31777,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43575","COc1ccc(NC(=O)N2CCn3c2nc2ccccc32)cc1","InChI=1S/C17H16N4O2/c1-23-13-8-6-12(7-9-13)18-17(22)21-11-10-20-15-5-3-2-4-14(15)19-16(20)21/h2-9H,10-11H2,1H3,(H,18,22)","DFTBODKHIZJKOZ-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D12963",4746,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66670","COc1ccc(NC(=O)\\C=C\\C(O)=O)c(c1)[N+]([O-])=O","InChI=1S/C11H10N2O6/c1-19-7-2-3-8(9(6-7)13(17)18)12-10(14)4-5-11(15)16/h2-6H,1H3,(H,12,14)(H,15,16)/b5-4+","ZKDLZLOZDAKBIO-SNAWJCMRSA-N",{"$nulls":3},">350000"]
["D12964",16844,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209679","COc1ccc(NC(=O)c2cc(cnc2N)-c2ccc(CN3CCOCC3)s2)cc1","InChI=1S/C22H24N4O3S/c1-28-17-4-2-16(3-5-17)25-22(27)19-12-15(13-24-21(19)23)20-7-6-18(30-20)14-26-8-10-29-11-9-26/h2-7,12-13H,8-11,14H2,1H3,(H2,23,24)(H,25,27)","UANVBHMEXMGHSB-UHFFFAOYSA-N",null,910,{"$nulls":4},7.5,"30.00 C"]
["D12965",4130,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67016","COc1ccc(NC(=O)c2cccc3c2C(=O)c2ccc(cc2S3(=O)=O)-c2ccc(F)cc2OCc2ccccc2)cc1","InChI=1S/C34H24FNO6S/c1-41-25-14-12-24(13-15-25)36-34(38)28-8-5-9-30-32(28)33(37)27-16-10-22(18-31(27)43(30,39)40)26-17-11-23(35)19-29(26)42-20-21-6-3-2-4-7-21/h2-19H,20H2,1H3,(H,36,38)","FHEOHOAKCIZCGJ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12966",4001,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66904","COc1ccc(NC(=O)c2ccco2)c(NC(=O)c2ccc(cc2)[N+]([O-])=O)c1","InChI=1S/C19H15N3O6/c1-27-14-8-9-15(20-19(24)17-3-2-10-28-17)16(11-14)21-18(23)12-4-6-13(7-5-12)22(25)26/h2-11H,1H3,(H,20,24)(H,21,23)","NLHKSOASBJKCDF-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12967",4276,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66270","COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CC2)cc1","InChI=1S/C20H18N2O4/c1-25-14-10-8-13(9-11-14)21-20(24)18-17(22-19(23)12-6-7-12)15-4-2-3-5-16(15)26-18/h2-5,8-12H,6-7H2,1H3,(H,21,24)(H,22,23)","NXOFLKSZXPKUKS-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12968",4300,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66400","COc1ccc(NC(=S)NC(NC(=O)C=Cc2ccccc2)C(Cl)(Cl)Cl)cc1","InChI=1S/C19H18Cl3N3O2S/c1-27-15-10-8-14(9-11-15)23-18(28)25-17(19(20,21)22)24-16(26)12-7-13-5-3-2-4-6-13/h2-12,17H,1H3,(H,24,26)(H2,23,25,28)","TXELNSOHDLUYGH-UHFFFAOYSA-N",{"$nulls":3},45220]
["D12969",11817,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42974","COc1ccc(NCCNc2ccc(OC)cc2)cc1","InChI=1S/C16H20N2O2/c1-19-15-7-3-13(4-8-15)17-11-12-18-14-5-9-16(20-2)10-6-14/h3-10,17-18H,11-12H2,1-2H3","MAFJXAYWVBYUEH-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D12970",12452,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42965","COc1ccc(NS(=O)(=O)c2c(C)n(C)c(=O)n(C)c2=O)cc1OC","InChI=1S/C15H19N3O6S/c1-9-13(14(19)18(3)15(20)17(9)2)25(21,22)16-10-6-7-11(23-4)12(8-10)24-5/h6-8,16H,1-5H3","QGBSYYZYIBWJPO-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D12971",4186,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67069","COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(Cl)cc3)ccc2N2CCOCC2)cc1","InChI=1S/C24H24ClN3O5S/c1-32-21-9-6-19(7-10-21)27-34(30,31)23-16-20(8-11-22(23)28-12-14-33-15-13-28)26-24(29)17-2-4-18(25)5-3-17/h2-11,16,27H,12-15H2,1H3,(H,26,29)","LYBMZQCVMDMKFI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12972",32104,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46394","COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(cc3)N(C)S(C)(=O)=O)cc2)cc1","InChI=1S/C22H23N3O6S2/c1-25(32(3,27)28)19-10-4-16(5-11-19)22(26)23-17-8-14-21(15-9-17)33(29,30)24-18-6-12-20(31-2)13-7-18/h4-15,24H,1-3H3,(H,23,26)","LECNAJNIZJTMOA-UHFFFAOYSA-N",null,">55700"]
["D12973",4201,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67084","COc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1","InChI=1S/C22H22N4O8S/c1-25-19(23)18(20(28)26(2)22(25)30)17(27)12-34-21(29)13-5-4-6-16(11-13)35(31,32)24-14-7-9-15(33-3)10-8-14/h4-11,24H,12,23H2,1-3H3","SSTFYCWUVJWXMW-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12974",3815,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66745","COc1ccc(Nc2cc3-c4cc(OC)c(OC)cc4CCn3c(=O)n2)c(C)c1","InChI=1S/C22H23N3O4/c1-13-9-15(27-2)5-6-17(13)23-21-12-18-16-11-20(29-4)19(28-3)10-14(16)7-8-25(18)22(26)24-21/h5-6,9-12H,7-8H2,1-4H3,(H,23,24,26)","ARCOCPBTEZQQOK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12975",32248,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50385688","COc1ccc(Nc2cccc(c2)C(O)=O)c(c1)[N+]([O-])=O","InChI=1S/C14H12N2O5/c1-21-11-5-6-12(13(8-11)16(19)20)15-10-4-2-3-9(7-10)14(17)18/h2-8,15H,1H3,(H,17,18)","ZUDZDQKQVGCTJF-UHFFFAOYSA-N",null,20400]
["D12976",12128,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87295","COc1ccc(Nc2ccncc2[N+]([O-])=O)cc1","InChI=1S/C12H11N3O3/c1-18-10-4-2-9(3-5-10)14-11-6-7-13-8-12(11)15(16)17/h2-8H,1H3,(H,13,14)","OMEVNEQOORPVLT-UHFFFAOYSA-N",null,5316]
["D12977",11956,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43089","COc1ccc(Nc2nc(c(Cl)s2)S(=O)(=O)c2ccc(C)cc2)cc1","InChI=1S/C17H15ClN2O3S2/c1-11-3-9-14(10-4-11)25(21,22)16-15(18)24-17(20-16)19-12-5-7-13(23-2)8-6-12/h3-10H,1-2H3,(H,19,20)","UVGQCXVGBXAKND-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D12978",15580,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148090","COc1ccc(Nc2nccc(n2)-c2ccc(N3CCCC3)c(c2)C#N)cn1","InChI=1S/C21H20N6O/c1-28-20-7-5-17(14-24-20)25-21-23-9-8-18(26-21)15-4-6-19(16(12-15)13-22)27-10-2-3-11-27/h4-9,12,14H,2-3,10-11H2,1H3,(H,23,25,26)","FHKAUBRSHCUQET-UHFFFAOYSA-N",null,"<30",{"$nulls":4},7.5]
["D12979",14726,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277850","COc1ccc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cc1","InChI=1S/C22H21N5O3/c1-28-18-5-3-17(4-6-18)26-22-25-14-24-21(27-22)15-2-7-20(16(12-15)13-23)30-19-8-10-29-11-9-19/h2-7,12,14,19H,8-11H2,1H3,(H,24,25,26,27)","FJAVKPCYPORWLI-UHFFFAOYSA-N",null,5]
["D12980",15384,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277855","COc1ccc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1","InChI=1S/C21H20N6O3/c1-28-19-5-3-16(12-23-19)26-21-25-13-24-20(27-21)14-2-4-18(15(10-14)11-22)30-17-6-8-29-9-7-17/h2-5,10,12-13,17H,6-9H2,1H3,(H,24,25,26,27)","SIMRMBMUTPELDR-UHFFFAOYSA-N",null,21]
["D12981",11806,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM64005","COc1ccc(Nc2ncnc3ccc(Br)cc23)c(OC)c1","InChI=1S/C16H14BrN3O2/c1-21-11-4-6-14(15(8-11)22-2)20-16-12-7-10(17)3-5-13(12)18-9-19-16/h3-9H,1-2H3,(H,18,19,20)","LTLPHMSJMFUGED-UHFFFAOYSA-N",null,2751]
["D12982",11801,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM4411","COc1ccc(Nc2ncnc3ccc(C)cc23)cc1","InChI=1S/C16H15N3O/c1-11-3-8-15-14(9-11)16(18-10-17-15)19-12-4-6-13(20-2)7-5-12/h3-10H,1-2H3,(H,17,18,19)","DGKCFCAEKHZWMW-UHFFFAOYSA-N",null,2615]
["D12983",4620,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM45643","COc1ccc(OC)c(CNc2ccc(cc2C)[N+]([O-])=O)c1","InChI=1S/C16H18N2O4/c1-11-8-13(18(19)20)4-6-15(11)17-10-12-9-14(21-2)5-7-16(12)22-3/h4-9,17H,10H2,1-3H3","QITGCGNZEURVBM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12984",4674,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM44654","COc1ccc(OC)c(NC(=O)CSc2nnc(CNC(=O)COc3ccc(Cl)cc3)o2)c1","InChI=1S/C21H21ClN4O6S/c1-29-15-7-8-17(30-2)16(9-15)24-19(28)12-33-21-26-25-20(32-21)10-23-18(27)11-31-14-5-3-13(22)4-6-14/h3-9H,10-12H2,1-2H3,(H,23,27)(H,24,28)","LBRFYDPQSPUZQS-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12985",12445,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42959","COc1ccc(OC)c(NC(=O)CSc2nnc(N)s2)c1","InChI=1S/C12H14N4O3S2/c1-18-7-3-4-9(19-2)8(5-7)14-10(17)6-20-12-16-15-11(13)21-12/h3-5H,6H2,1-2H3,(H2,13,15)(H,14,17)","QJOTVARSKURASV-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D12986",3853,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66779","COc1ccc(OC)c(NC(=O)c2cc(n[nH]2)-c2cc(C)ccc2O)c1","InChI=1S/C19H19N3O4/c1-11-4-6-17(23)13(8-11)14-10-16(22-21-14)19(24)20-15-9-12(25-2)5-7-18(15)26-3/h4-10,23H,1-3H3,(H,20,24)(H,21,22)","XWEZGSVWAGSGLC-UHFFFAOYSA-N",{"$nulls":3},46430]
["D12987",4461,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66433","COc1ccc(OC)c(NC(=O)c2cc3c(Cl)nc4ccccc4c3s2)c1","InChI=1S/C20H15ClN2O3S/c1-25-11-7-8-16(26-2)15(9-11)23-20(24)17-10-13-18(27-17)12-5-3-4-6-14(12)22-19(13)21/h3-10H,1-2H3,(H,23,24)","SXDDMIKWLKMXRF-UHFFFAOYSA-N",{"$nulls":3},77880]
["D12988",4516,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66477","COc1ccc(OC)c(\\C=C\\C(=O)N(C)CC(=O)Nc2cc(C)ccc2C)c1","InChI=1S/C22H26N2O4/c1-15-6-7-16(2)19(12-15)23-21(25)14-24(3)22(26)11-8-17-13-18(27-4)9-10-20(17)28-5/h6-13H,14H2,1-5H3,(H,23,25)/b11-8+","XGNFFMKBUKZLCC-DHZHZOJOSA-N",{"$nulls":3},">350000"]
["D12989",4213,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66224","COc1ccc(OC)c(c1)C1C(C(C)=O)C(=O)C(=O)N1Cc1cccnc1","InChI=1S/C20H20N2O5/c1-12(23)17-18(15-9-14(26-2)6-7-16(15)27-3)22(20(25)19(17)24)11-13-5-4-8-21-10-13/h4-10,17-18H,11H2,1-3H3","QASLCQTYYOBWGT-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12990",4515,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66476","COc1ccc(OC)c(c1)N(C(=O)Nc1ccc(Cl)cc1)C1=NCCS1","InChI=1S/C18H18ClN3O3S/c1-24-14-7-8-16(25-2)15(11-14)22(18-20-9-10-26-18)17(23)21-13-5-3-12(19)4-6-13/h3-8,11H,9-10H2,1-2H3,(H,21,23)","UREBHOUXGDLCHT-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12991",3776,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM63097","COc1ccc(OC)c(c1)N(C(C(=O)NC1CCCC1)c1cccs1)C(=O)C#C","InChI=1S/C22H24N2O4S/c1-4-20(25)24(17-14-16(27-2)11-12-18(17)28-3)21(19-10-7-13-29-19)22(26)23-15-8-5-6-9-15/h1,7,10-15,21H,5-6,8-9H2,2-3H3,(H,23,26)","XFZISNSMDWZRLJ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12992",12288,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM63948","COc1ccc(OC)c(c1)N=CCC(=O)c1ccccc1","InChI=1S/C17H17NO3/c1-20-14-8-9-17(21-2)15(12-14)18-11-10-16(19)13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3","FFRHAYNFZQGDMV-UHFFFAOYSA-N",null,33933]
["D12993",4112,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66999","COc1ccc(OC)c(c1)S(=O)(=O)NC(C)c1ccc(cc1)-n1ccnc1","InChI=1S/C19H21N3O4S/c1-14(15-4-6-16(7-5-15)22-11-10-20-13-22)21-27(23,24)19-12-17(25-2)8-9-18(19)26-3/h4-14,21H,1-3H3","JBCIHWMMLFETPZ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12994",3817,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66747","COc1ccc(OC)c2[nH]c(cc12)C(=O)N1CCC(CC1)C(O)=O","InChI=1S/C17H20N2O5/c1-23-13-3-4-14(24-2)15-11(13)9-12(18-15)16(20)19-7-5-10(6-8-19)17(21)22/h3-4,9-10,18H,5-8H2,1-2H3,(H,21,22)","UQXHTYXPPDAISS-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12995",12453,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42966","COc1ccc(OC)c2n(C)\\c(=N\\C(=O)C(C)(C)C)sc12","InChI=1S/C15H20N2O3S/c1-15(2,3)13(18)16-14-17(4)11-9(19-5)7-8-10(20-6)12(11)21-14/h7-8H,1-6H3/b16-14-","AGDCWSWZMAYUTP-PEZBUJJGSA-N",{"$nulls":3},">79370"]
["D12996",4046,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM64465","COc1ccc(OC)c2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1","InChI=1S/C30H34N4O5S2/c1-32(2)17-7-18-34(30-31-27-25(38-3)14-15-26(39-4)28(27)40-30)29(35)22-10-12-24(13-11-22)41(36,37)33-19-16-21-8-5-6-9-23(21)20-33/h5-6,8-15H,7,16-20H2,1-4H3","YFXPCYDYMNVYEV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D12997",11864,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM32740","COc1ccc(OCC(=O)Nc2cc(ccc2OC)-c2nn(C)c(=O)c3ccccc23)cc1","InChI=1S/C25H23N3O5/c1-28-25(30)20-7-5-4-6-19(20)24(27-28)16-8-13-22(32-3)21(14-16)26-23(29)15-33-18-11-9-17(31-2)10-12-18/h4-14H,15H2,1-3H3,(H,26,29)","FTWWXBRJAWFLBD-UHFFFAOYSA-N",{"$nulls":3},76570]
["D12998",4127,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67013","COc1ccc(OC[C@@H](O)CNC(=O)c2cccc3c2C(=O)c2ccc(cc2S3(=O)=O)-c2ccc(F)cc2OCc2ccccc2)cc1","InChI=1S/C37H30FNO8S/c1-45-27-12-14-28(15-13-27)46-22-26(40)20-39-37(42)31-8-5-9-33-35(31)36(41)30-16-10-24(18-34(30)48(33,43)44)29-17-11-25(38)19-32(29)47-21-23-6-3-2-4-7-23/h2-19,26,40H,20-22H2,1H3,(H,39,42)/t26-/m0/s1","DDVWCRQXQALMIQ-SANMLTNESA-N",{"$nulls":3},">350000"]
["D12999",3749,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM63064","COc1ccc(Oc2cc(NC(=O)c3nn(C)cc3[N+]([O-])=O)cc(c2)[N+]([O-])=O)cc1","InChI=1S/C18H15N5O7/c1-21-10-16(23(27)28)17(20-21)18(24)19-11-7-12(22(25)26)9-15(8-11)30-14-5-3-13(29-2)4-6-14/h3-10H,1-2H3,(H,19,24)","FRZIAIPAFVZFID-UHFFFAOYSA-N",{"$nulls":3},72090]
["D13000",16769,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153722","COc1ccc(Oc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1","InChI=1S/C20H25N7O2/c1-14-12-18(25-24-14)21-17-13-19(27-10-8-26(2)9-11-27)23-20(22-17)29-16-6-4-15(28-3)5-7-16/h4-7,12-13H,8-11H2,1-3H3,(H2,21,22,23,24,25)","SCFDBTRULYKOGY-UHFFFAOYSA-N",null,650]
["D13001",12180,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87586","COc1ccc(Oc2nc3n(C)c(=O)n(C)c(=O)c3n2C)cc1","InChI=1S/C15H16N4O4/c1-17-11-12(18(2)15(21)19(3)13(11)20)16-14(17)23-10-7-5-9(22-4)6-8-10/h5-8H,1-4H3","GWBNWRNVIHHFRS-UHFFFAOYSA-N",null,7762]
["D13002",12148,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM79412","COc1ccc(\\C=C2/CC\\C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1OC","InChI=1S/C23H24O5/c1-25-19-9-5-15(13-21(19)27-3)11-17-7-8-18(23(17)24)12-16-6-10-20(26-2)22(14-16)28-4/h5-6,9-14H,7-8H2,1-4H3/b17-11+,18-12+","NADUQCROZYTGPH-JYFOCSDGSA-N",null,5957]
["D13003",12303,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM72918","COc1ccc(\\C=C2/CN(Cc3ccccc3)C\\C(=C/c3ccc(OC)c(O)c3)C2=O)cc1O","InChI=1S/C28H27NO5/c1-33-26-10-8-20(14-24(26)30)12-22-17-29(16-19-6-4-3-5-7-19)18-23(28(22)32)13-21-9-11-27(34-2)25(31)15-21/h3-15,30-31H,16-18H2,1-2H3/b22-12+,23-13+","QQALCZKCRPGYCZ-FWSOMWAYSA-N",null,">35866"]
["D13004",4035,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66936","COc1ccc(\\C=C2/SC(=O)N(CCC(=O)N(C)C3CCS(=O)(=O)C3)C2=O)cc1","InChI=1S/C19H22N2O6S2/c1-20(14-8-10-29(25,26)12-14)17(22)7-9-21-18(23)16(28-19(21)24)11-13-3-5-15(27-2)6-4-13/h3-6,11,14H,7-10,12H2,1-2H3/b16-11-","HISNUMGDGYSLQC-WJDWOHSUSA-N",{"$nulls":3},">350000"]
["D13005",11770,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87066","COc1ccc(\\C=C2\\SC(=S)N(CCC(O)=O)C2=O)cc1","InChI=1S/C14H13NO4S2/c1-19-10-4-2-9(3-5-10)8-11-13(18)15(14(20)21-11)7-6-12(16)17/h2-5,8H,6-7H2,1H3,(H,16,17)/b11-8+","RBFAZZXBOAKXHR-DHZHZOJOSA-N",null,1072]
["D13006",26036,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1/alpha-1B/alpha-2/delta-1","Rattus norvegicus","BDBM50481862","COc1ccc(\\C=C\\C(=O)N2CCN(CC2)C(=O)CCCCC(c2ccccc2)c2ccccc2)cc1","InChI=1S/C32H36N2O3/c1-37-29-19-16-26(17-20-29)18-21-32(36)34-24-22-33(23-25-34)31(35)15-9-8-14-30(27-10-4-2-5-11-27)28-12-6-3-7-13-28/h2-7,10-13,16-21,30H,8-9,14-15,22-25H2,1H3/b21-18+","IZKYUKHROWESFM-DYTRJAOYSA-N",null,90]
["D13007",4291,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM63120","COc1ccc(\\C=C\\C(=O)NC(=S)NCCc2ccc(OC)c(OC)c2)cc1","InChI=1S/C21H24N2O4S/c1-25-17-8-4-15(5-9-17)7-11-20(24)23-21(28)22-13-12-16-6-10-18(26-2)19(14-16)27-3/h4-11,14H,12-13H2,1-3H3,(H2,22,23,24,28)/b11-7+","HBESTCBHMTZDAB-YRNVUSSQSA-N",{"$nulls":3},">350000"]
["D13008",26045,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1/alpha-1B/alpha-2/delta-1","Rattus norvegicus","BDBM50481861","COc1ccc(\\C=C\\CN2CCN(CC2)C(=O)CCCCC(c2ccccc2)c2ccccc2)cc1","InChI=1S/C32H38N2O2/c1-36-30-20-18-27(19-21-30)11-10-22-33-23-25-34(26-24-33)32(35)17-9-8-16-31(28-12-4-2-5-13-28)29-14-6-3-7-15-29/h2-7,10-15,18-21,31H,8-9,16-17,22-26H2,1H3/b11-10+","WAGKNCTULDCRRT-ZHACJKMWSA-N",null,190]
["D13009",32249,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM220124","COc1ccc(c(Nc2ccccc2C(O)=O)c1)N(=O)=O","InChI=1S/C14H12N2O5/c1-21-9-6-7-13(16(19)20)12(8-9)15-11-5-3-2-4-10(11)14(17)18/h2-8,15H,1H3,(H,17,18)","WAXURAGLQIGKCE-UHFFFAOYSA-N",null,20400]
["D13010",3612,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565024","COc1ccc(c(c1)C1CCc2c(C1)cnn(-c1ncccn1)c2=O)C(F)(F)F","InChI=1S/C20H17F3N4O2/c1-29-14-4-6-17(20(21,22)23)16(10-14)12-3-5-15-13(9-12)11-26-27(18(15)28)19-24-7-2-8-25-19/h2,4,6-8,10-12H,3,5,9H2,1H3","FLWAFPWOZWDVMQ-UHFFFAOYSA-N",null,15500]
["D13011",11952,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43085","COc1ccc(cc1)-c1[nH]c2ccccc2c1SCCNC(=O)c1ccccc1","InChI=1S/C24H22N2O2S/c1-28-19-13-11-17(12-14-19)22-23(20-9-5-6-10-21(20)26-22)29-16-15-25-24(27)18-7-3-2-4-8-18/h2-14,26H,15-16H2,1H3,(H,25,27)","ZMHYIFLOCUBTEE-UHFFFAOYSA-N",{"$nulls":3},"<79370"]
["D13012",4749,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66673","COc1ccc(cc1)-c1c(C#N)c(N)nc(Sc2ccc(Cl)cc2)c1C#N","InChI=1S/C20H13ClN4OS/c1-26-14-6-2-12(3-7-14)18-16(10-22)19(24)25-20(17(18)11-23)27-15-8-4-13(21)5-9-15/h2-9H,1H3,(H2,24,25)","MKNXICMRXZJQQV-UHFFFAOYSA-N",{"$nulls":3},95990]
["D13013",5020,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50283483","COc1ccc(cc1)-c1c(C)nn2c(cc(C)nc12)C(F)(F)F","InChI=1S/C16H14F3N3O/c1-9-8-13(16(17,18)19)22-15(20-9)14(10(2)21-22)11-4-6-12(23-3)7-5-11/h4-8H,1-3H3","KEULBIUOYVYXRG-UHFFFAOYSA-N",{"$nulls":3},3311]
["D13014",11857,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM40558","COc1ccc(cc1)-c1c2C(=O)c3ccccc3-c2nc(C)c1C#N","InChI=1S/C21H14N2O2/c1-12-17(11-22)18(13-7-9-14(25-2)10-8-13)19-20(23-12)15-5-3-4-6-16(15)21(19)24/h3-10H,1-2H3","UMIONWWTGWTKKI-UHFFFAOYSA-N",{"$nulls":3},48340]
["D13015",16235,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570010","COc1ccc(cc1)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},110]
["D13016",11808,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87336","COc1ccc(cc1)-c1c[nH]nc1-c1ccc(OC)cc1O","InChI=1S/C17H16N2O3/c1-21-12-5-3-11(4-6-12)15-10-18-19-17(15)14-8-7-13(22-2)9-16(14)20/h3-10,20H,1-2H3,(H,18,19)","HSFFXTIWNUXDGF-UHFFFAOYSA-N",null,2887]
["D13017",11862,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43013","COc1ccc(cc1)-c1cc(-c2cccs2)c(C#N)c(SCC(=O)NCc2ccccc2)n1","InChI=1S/C26H21N3O2S2/c1-31-20-11-9-19(10-12-20)23-14-21(24-8-5-13-32-24)22(15-27)26(29-23)33-17-25(30)28-16-18-6-3-2-4-7-18/h2-14H,16-17H2,1H3,(H,28,30)","VBQGDNHDZHBCOX-UHFFFAOYSA-N",{"$nulls":3},22210]
["D13018",11859,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43010","COc1ccc(cc1)-c1cc(-c2cccs2)c(C#N)c(SCC(=O)NCc2ccccc2OC)n1","InChI=1S/C27H23N3O3S2/c1-32-20-11-9-18(10-12-20)23-14-21(25-8-5-13-34-25)22(15-28)27(30-23)35-17-26(31)29-16-19-6-3-4-7-24(19)33-2/h3-14H,16-17H2,1-2H3,(H,29,31)","RAQWYGYEGUADAI-UHFFFAOYSA-N",{"$nulls":3},12970]
["D13019",12247,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM4204","COc1ccc(cc1)-c1cc(=O)oc2c(C)c(O)c(CN(C)C)cc12","InChI=1S/C20H21NO4/c1-12-19(23)14(11-21(2)3)9-17-16(10-18(22)25-20(12)17)13-5-7-15(24-4)8-6-13/h5-10,23H,11H2,1-4H3","CJLPBRABBONKIB-UHFFFAOYSA-N",null,12077]
["D13020",4313,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66411","COc1ccc(cc1)-c1cc(=O)oc2c(C)c(OC(=O)c3cccs3)ccc12","InChI=1S/C22H16O5S/c1-13-18(26-22(24)19-4-3-11-28-19)10-9-16-17(12-20(23)27-21(13)16)14-5-7-15(25-2)8-6-14/h3-12H,1-2H3","LAPIFNRGJPLMSF-UHFFFAOYSA-N",{"$nulls":3},75900]
["D13021",11991,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43123","COc1ccc(cc1)-c1cc(C(F)F)n2ncc(C(=O)N3CCCc4ccccc34)c2n1","InChI=1S/C24H20F2N4O2/c1-32-17-10-8-15(9-11-17)19-13-21(22(25)26)30-23(28-19)18(14-27-30)24(31)29-12-4-6-16-5-2-3-7-20(16)29/h2-3,5,7-11,13-14,22H,4,6,12H2,1H3","TYBLOORSFYJHAB-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D13022",31735,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43736","COc1ccc(cc1)-c1cc(C)nc2c(cnn12)-c1ccccc1","InChI=1S/C20H17N3O/c1-14-12-19(16-8-10-17(24-2)11-9-16)23-20(22-14)18(13-21-23)15-6-4-3-5-7-15/h3-13H,1-2H3","DNXIOVRFAHLVLH-UHFFFAOYSA-N",{"$nulls":3},4037]
["D13023",416,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575777","COc1ccc(cc1)-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O","InChI=1S/C23H30FN2O5P/c1-31-20-8-5-17(6-9-20)21-14-19(24)7-4-18(21)15-26-12-13-32(29,30)23(16-26,22(27)28)10-2-3-11-25/h4-9,14H,2-3,10-13,15-16,25H2,1H3,(H,27,28)(H,29,30)/t23-/m0/s1","FEJKEWIWGSFZML-QHCPKHFHSA-N",null,8]
["D13024",25831,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246336","COc1ccc(cc1)-c1cc(OC2CC(C)(C)OC(C)(C)C2)nn1-c1ccccc1OC","InChI=1S/C26H32N2O4/c1-25(2)16-20(17-26(3,4)32-25)31-24-15-22(18-11-13-19(29-5)14-12-18)28(27-24)21-9-7-8-10-23(21)30-6/h7-15,20H,16-17H2,1-6H3","YEOAYGDVMJPHGG-UHFFFAOYSA-N",null,9.4]
["D13025",25819,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246338","COc1ccc(cc1)-c1cc(OC2CC(C)(C)S(=O)(=O)C(C)(C)C2)nn1-c1ccccc1OC","InChI=1S/C26H32N2O5S/c1-25(2)16-20(17-26(3,4)34(25,29)30)33-24-15-22(18-11-13-19(31-5)14-12-18)28(27-24)21-9-7-8-10-23(21)32-6/h7-15,20H,16-17H2,1-6H3","TYXGRJPOMQEXJV-UHFFFAOYSA-N",null,3]
["D13026",25824,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246337","COc1ccc(cc1)-c1cc(OC2CC(C)(C)SC(C)(C)C2)nn1-c1ccccc1OC","InChI=1S/C26H32N2O3S/c1-25(2)16-20(17-26(3,4)32-25)31-24-15-22(18-11-13-19(29-5)14-12-18)28(27-24)21-9-7-8-10-23(21)30-6/h7-15,20H,16-17H2,1-6H3","JWZPZXKJEUAZFV-UHFFFAOYSA-N",null,6]
["D13027",25822,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246339","COc1ccc(cc1)-c1cc(OC2CC(C)(C)[S@+]([O-])C(C)(C)C2)nn1-c1ccccc1OC","InChI=1S/C26H32N2O4S/c1-25(2)16-20(17-26(3,4)33(25)29)32-24-15-22(18-11-13-19(30-5)14-12-18)28(27-24)21-9-7-8-10-23(21)31-6/h7-15,20H,16-17H2,1-6H3/t20?,33-","HACCLYCGUNUBJY-DWWHJWNJSA-N",null,4.5]
["D13028",15546,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276950","COc1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)CO)c(c1)C#N","InChI=1S/C27H25N5O4/c1-35-20-5-2-17(3-6-20)23-13-22-26(29-16-30-27(22)31-23)18-4-7-24(19(12-18)14-28)36-21-8-10-32(11-9-21)25(34)15-33/h2-7,12-13,16,21,33H,8-11,15H2,1H3,(H,29,30,31)","ABZIEHMTFVZXNY-UHFFFAOYSA-N",null,1.34]
["D13029",15401,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276947","COc1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCNCC2)c(c1)C#N","InChI=1S/C25H23N5O2/c1-31-19-5-2-16(3-6-19)22-13-21-24(28-15-29-25(21)30-22)17-4-7-23(18(12-17)14-26)32-20-8-10-27-11-9-20/h2-7,12-13,15,20,27H,8-11H2,1H3,(H,28,29,30)","SQZVSGZHYGZMTP-UHFFFAOYSA-N",null,22.4,{"$nulls":4},7]
["D13030",4804,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50196289","COc1ccc(cc1)-c1cc2onc(-c3ccccc3)c2c(=O)n1C","InChI=1S/C20H16N2O3/c1-22-16(13-8-10-15(24-2)11-9-13)12-17-18(20(22)23)19(21-25-17)14-6-4-3-5-7-14/h3-12H,1-2H3","QCKTZIBCJPYKHO-UHFFFAOYSA-N",null,22]
["D13031",4805,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50305877","COc1ccc(cc1)-c1cc2onc(-c3ccncc3)c2c(=O)n1C","InChI=1S/C19H15N3O3/c1-22-15(12-3-5-14(24-2)6-4-12)11-16-17(19(22)23)18(21-25-16)13-7-9-20-10-8-13/h3-11H,1-2H3","PDWYBOZNEVALOV-UHFFFAOYSA-N",null,26]
["D13032",498,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575778","COc1ccc(cc1)-c1cccc(F)c1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O","InChI=1S/C23H30FN2O5P/c1-31-18-9-7-17(8-10-18)19-5-4-6-21(24)20(19)15-26-13-14-32(29,30)23(16-26,22(27)28)11-2-3-12-25/h4-10H,2-3,11-16,25H2,1H3,(H,27,28)(H,29,30)/t23-/m0/s1","ODYNRMOUMKLRNU-QHCPKHFHSA-N",null,31]
["D13033",17424,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50031747","COc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12","InChI=1S/C17H16N4O2/c1-23-13-9-7-11(8-10-13)14-3-2-4-15-18-17(20-21(14)15)19-16(22)12-5-6-12/h2-4,7-10,12H,5-6H2,1H3,(H,19,20,22)","PFUHEDXCYMUYNJ-UHFFFAOYSA-N",null,">4000"]
["D13034",12166,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM40958","COc1ccc(cc1)-c1cnc(N)nc1-c1ccc(OC)cc1O","InChI=1S/C18H17N3O3/c1-23-12-5-3-11(4-6-12)15-10-20-18(19)21-17(15)14-8-7-13(24-2)9-16(14)22/h3-10,22H,1-2H3,(H2,19,20,21)","CKQBIKHXMSBFTE-UHFFFAOYSA-N",null,7068]
["D13035",32152,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43697","COc1ccc(cc1)-c1csc(n1)-n1c(O)c[nH]c1=S","InChI=1S/C13H11N3O2S2/c1-18-9-4-2-8(3-5-9)10-7-20-13(15-10)16-11(17)6-14-12(16)19/h2-7,17H,1H3,(H,14,19)","DEDXOELQYHNPFM-UHFFFAOYSA-N",{"$nulls":3},2011]
["D13036",4496,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66463","COc1ccc(cc1)-c1nc(NC(=O)c2n[nH]c(=O)c3ccccc23)sc1C","InChI=1S/C20H16N4O3S/c1-11-16(12-7-9-13(27-2)10-8-12)21-20(28-11)22-19(26)17-14-5-3-4-6-15(14)18(25)24-23-17/h3-10H,1-2H3,(H,24,25)(H,21,22,26)","WLYWRIOHVNGMHG-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13037",14695,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276970","COc1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C24H21N5O3/c1-30-18-5-2-15(3-6-18)23-28-22-21(26-14-27-24(22)29-23)16-4-7-20(17(12-16)13-25)32-19-8-10-31-11-9-19/h2-7,12,14,19H,8-11H2,1H3,(H,26,27,28,29)","DUEQRTNLBPJYPF-UHFFFAOYSA-N",null,4.71]
["D13038",16674,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50448979","COc1ccc(cc1)-c1nc2ncc(-c3csc(c3)C(O)=O)c(OCCCNC(=O)C3CCCC3)c2[nH]1","InChI=1S/C27H28N4O5S/c1-35-19-9-7-16(8-10-19)24-30-22-23(36-12-4-11-28-26(32)17-5-2-3-6-17)20(14-29-25(22)31-24)18-13-21(27(33)34)37-15-18/h7-10,13-15,17H,2-6,11-12H2,1H3,(H,28,32)(H,33,34)(H,29,30,31)","DGFPVDWEMXBLRG-UHFFFAOYSA-N",null,460]
["D13039",16275,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50448977","COc1ccc(cc1)-c1nc2ncc(-c3nc(cs3)C(=O)NCC(C)C)c(NCCCNC(=O)C3CCCC3)c2[nH]1","InChI=1S/C30H37N7O3S/c1-18(2)15-34-29(39)23-17-41-30(35-23)22-16-33-27-25(36-26(37-27)19-9-11-21(40-3)12-10-19)24(22)31-13-6-14-32-28(38)20-7-4-5-8-20/h9-12,16-18,20H,4-8,13-15H2,1-3H3,(H,32,38)(H,34,39)(H2,31,33,36,37)","YSDVXKUGVXDCHH-UHFFFAOYSA-N",null,128]
["D13040",14876,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50448992","COc1ccc(cc1)-c1nc2ncc(-c3nc(cs3)C(N)=O)c(NCCCNC(=O)C3CCCC3)c2[nH]1","InChI=1S/C26H29N7O3S/c1-36-17-9-7-15(8-10-17)23-32-21-20(28-11-4-12-29-25(35)16-5-2-3-6-16)18(13-30-24(21)33-23)26-31-19(14-37-26)22(27)34/h7-10,13-14,16H,2-6,11-12H2,1H3,(H2,27,34)(H,29,35)(H2,28,30,32,33)","DNGHYRYQEMRIDG-UHFFFAOYSA-N",null,7]
["D13041",15698,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50448988","COc1ccc(cc1)-c1nc2ncc(-c3nc(cs3)C(O)=O)c(NCCCNC(=O)C3CCCC3)c2[nH]1","InChI=1S/C26H28N6O4S/c1-36-17-9-7-15(8-10-17)22-31-21-20(27-11-4-12-28-24(33)16-5-2-3-6-16)18(13-29-23(21)32-22)25-30-19(14-37-25)26(34)35/h7-10,13-14,16H,2-6,11-12H2,1H3,(H,28,33)(H,34,35)(H2,27,29,31,32)","LLHGFGUOUWJTLQ-UHFFFAOYSA-N",null,36]
["D13042",15849,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379350","COc1ccc(cc1)-c1nc2ncc(Br)c(NCC3CCNCC3)c2[nH]1","InChI=1S/C19H22BrN5O/c1-26-14-4-2-13(3-5-14)18-24-17-16(15(20)11-23-19(17)25-18)22-10-12-6-8-21-9-7-12/h2-5,11-12,21H,6-10H2,1H3,(H2,22,23,24,25)","WOTWXKACTZFRQE-UHFFFAOYSA-N",null,57]
["D13043",14717,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379358","COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCN(C)C(=O)C3CCC3)c2[nH]1","InChI=1S/C22H26BrN5O2/c1-28(22(29)15-5-3-6-15)12-4-11-24-18-17(23)13-25-21-19(18)26-20(27-21)14-7-9-16(30-2)10-8-14/h7-10,13,15H,3-6,11-12H2,1-2H3,(H2,24,25,26,27)","OFEARPZEWOLQGZ-UHFFFAOYSA-N",null,5]
["D13044",14875,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379354","COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C(C)(C)C)c2[nH]1","InChI=1S/C21H26BrN5O2/c1-21(2,3)20(28)24-11-5-10-23-16-15(22)12-25-19-17(16)26-18(27-19)13-6-8-14(29-4)9-7-13/h6-9,12H,5,10-11H2,1-4H3,(H,24,28)(H2,23,25,26,27)","CZBLMYRJPRLVRE-UHFFFAOYSA-N",null,7]
["D13045",15060,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379353","COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C(C)C)c2[nH]1","InChI=1S/C20H24BrN5O2/c1-12(2)20(27)23-10-4-9-22-16-15(21)11-24-19-17(16)25-18(26-19)13-5-7-14(28-3)8-6-13/h5-8,11-12H,4,9-10H2,1-3H3,(H,23,27)(H2,22,24,25,26)","VLQLXNFFVREKBK-UHFFFAOYSA-N",null,10]
["D13046",14614,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379356","COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3(CN)CC3)c2[nH]1","InChI=1S/C21H25BrN6O2/c1-30-14-5-3-13(4-6-14)18-27-17-16(15(22)11-26-19(17)28-18)24-9-2-10-25-20(29)21(12-23)7-8-21/h3-6,11H,2,7-10,12,23H2,1H3,(H,25,29)(H2,24,26,27,28)","XUELBKVSGYWSKD-UHFFFAOYSA-N",null,4]
["D13047",14938,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379359","COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CC(O)C3)c2[nH]1","InChI=1S/C21H24BrN5O3/c1-30-15-5-3-12(4-6-15)19-26-18-17(16(22)11-25-20(18)27-19)23-7-2-8-24-21(29)13-9-14(28)10-13/h3-6,11,13-14,28H,2,7-10H2,1H3,(H,24,29)(H2,23,25,26,27)","WHHJYUVJNITNFN-UHFFFAOYSA-N",null,8]
["D13048",15316,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379355","COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CC3)c2[nH]1","InChI=1S/C20H22BrN5O2/c1-28-14-7-5-12(6-8-14)18-25-17-16(15(21)11-24-19(17)26-18)22-9-2-10-23-20(27)13-3-4-13/h5-8,11,13H,2-4,9-10H2,1H3,(H,23,27)(H2,22,24,25,26)","GFHRPONHRZBFNC-UHFFFAOYSA-N",null,18]
["D13049",14615,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379357","COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CCC3)c2[nH]1","InChI=1S/C21H24BrN5O2/c1-29-15-8-6-13(7-9-15)19-26-18-17(16(22)12-25-20(18)27-19)23-10-3-11-24-21(28)14-4-2-5-14/h6-9,12,14H,2-5,10-11H2,1H3,(H,24,28)(H2,23,25,26,27)","DECBFIYBUIMGPR-UHFFFAOYSA-N",null,4]
["D13050",14936,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379337","COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CCCC3)c2[nH]1","InChI=1S/C22H26BrN5O2/c1-30-16-9-7-14(8-10-16)20-27-19-18(17(23)13-26-21(19)28-20)24-11-4-12-25-22(29)15-5-2-3-6-15/h7-10,13,15H,2-6,11-12H2,1H3,(H,25,29)(H2,24,26,27,28)","JUWVGQDRIAVTIK-UHFFFAOYSA-N",null,8]
["D13051",16229,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379360","COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)c3ccccc3)c2[nH]1","InChI=1S/C23H22BrN5O2/c1-31-17-10-8-15(9-11-17)21-28-20-19(18(24)14-27-22(20)29-21)25-12-5-13-26-23(30)16-6-3-2-4-7-16/h2-4,6-11,14H,5,12-13H2,1H3,(H,26,30)(H2,25,27,28,29)","GRIONNZJVZNNLU-UHFFFAOYSA-N",null,106]
["D13052",15857,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379361","COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)c3cccnc3)c2[nH]1","InChI=1S/C22H21BrN6O2/c1-31-16-7-5-14(6-8-16)20-28-19-18(17(23)13-27-21(19)29-20)25-10-3-11-26-22(30)15-4-2-9-24-12-15/h2,4-9,12-13H,3,10-11H2,1H3,(H,26,30)(H2,25,27,28,29)","ZEEVDVUFURMNEH-UHFFFAOYSA-N",null,59]
["D13053",15784,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379362","COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)c3cccs3)c2[nH]1","InChI=1S/C21H20BrN5O2S/c1-29-14-7-5-13(6-8-14)19-26-18-17(15(22)12-25-20(18)27-19)23-9-3-10-24-21(28)16-4-2-11-30-16/h2,4-8,11-12H,3,9-10H2,1H3,(H,24,28)(H2,23,25,26,27)","NSNZIHNPWOUVQN-UHFFFAOYSA-N",null,46]
["D13054",15915,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379352","COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(C)=O)c2[nH]1","InChI=1S/C18H20BrN5O2/c1-11(25)20-8-3-9-21-15-14(19)10-22-18-16(15)23-17(24-18)12-4-6-13(26-2)7-5-12/h4-7,10H,3,8-9H2,1-2H3,(H,20,25)(H2,21,22,23,24)","CFBXWHPXNROFFK-UHFFFAOYSA-N",null,70]
["D13055",15726,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379351","COc1ccc(cc1)-c1nc2ncc(Br)c(OCC3CCNCC3)c2[nH]1","InChI=1S/C19H21BrN4O2/c1-25-14-4-2-13(3-5-14)18-23-16-17(15(20)10-22-19(16)24-18)26-11-12-6-8-21-9-7-12/h2-5,10,12,21H,6-9,11H2,1H3,(H,22,23,24)","XVLUNMSWJVTNRP-UHFFFAOYSA-N",null,39]
["D13056",16801,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50448980","COc1ccc(cc1)-c1nc2ncc(Br)c(OCCCNC(=O)C3CCCC3)c2[nH]1","InChI=1S/C22H25BrN4O3/c1-29-16-9-7-14(8-10-16)20-26-18-19(17(23)13-25-21(18)27-20)30-12-4-11-24-22(28)15-5-2-3-6-15/h7-10,13,15H,2-6,11-12H2,1H3,(H,24,28)(H,25,26,27)","WTQDVZNJLFUQDW-UHFFFAOYSA-N",null,759]
["D13057",15027,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379365","COc1ccc(cc1)-c1nc2ncc(C(N)=O)c(NCCCNC(=O)C3CCCC3)c2[nH]1","InChI=1S/C23H28N6O3/c1-32-16-9-7-14(8-10-16)21-28-19-18(17(20(24)30)13-27-22(19)29-21)25-11-4-12-26-23(31)15-5-2-3-6-15/h7-10,13,15H,2-6,11-12H2,1H3,(H2,24,30)(H,26,31)(H2,25,27,28,29)","XHNAYNYWJBNROG-UHFFFAOYSA-N",null,9]
["D13058",15782,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50448978","COc1ccc(cc1)-c1nc2ncc(C(N)=S)c(NCCCNC(=O)C3CCCC3)c2[nH]1","InChI=1S/C23H28N6O2S/c1-31-16-9-7-14(8-10-16)21-28-19-18(17(20(24)32)13-27-22(19)29-21)25-11-4-12-26-23(30)15-5-2-3-6-15/h7-10,13,15H,2-6,11-12H2,1H3,(H2,24,32)(H,26,30)(H2,25,27,28,29)","UOFZOMWGIVJIKW-UHFFFAOYSA-N",null,46]
["D13059",16968,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50448974","COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1cc(co1)C(O)=O","InChI=1S/C18H13N3O4/c1-24-13-4-2-10(3-5-13)16-20-14-6-11(8-19-17(14)21-16)15-7-12(9-25-15)18(22)23/h2-9H,1H3,(H,22,23)(H,19,20,21)","JDJAIINKPORJAW-UHFFFAOYSA-N",null,1050]
["D13060",16278,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50448975","COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1cc(cs1)C(O)=O","InChI=1S/C18H13N3O3S/c1-24-13-4-2-10(3-5-13)16-20-14-6-11(8-19-17(14)21-16)15-7-12(9-25-15)18(22)23/h2-9H,1H3,(H,22,23)(H,19,20,21)","NKTGILZAOLEZPR-UHFFFAOYSA-N",null,129]
["D13061",16448,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50448976","COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1ccc(s1)C(O)=O","InChI=1S/C18H13N3O3S/c1-24-12-4-2-10(3-5-12)16-20-13-8-11(9-19-17(13)21-16)14-6-7-15(25-14)18(22)23/h2-9H,1H3,(H,22,23)(H,19,20,21)","LTKDDAVQVRFMKQ-UHFFFAOYSA-N",null,256]
["D13062",18062,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50448983","COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C#N","InChI=1S/C18H12N4OS/c1-23-14-4-2-11(3-5-14)17-21-16-7-12(9-20-18(16)22-17)13-6-15(8-19)24-10-13/h2-7,9-10H,1H3,(H,20,21,22)","VHPQESZVBQCVDM-UHFFFAOYSA-N",null,">30000"]
["D13063",15608,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50448981","COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(=O)NCC(C)(C)C","InChI=1S/C23H24N4O2S/c1-23(2,3)13-25-22(28)19-10-16(12-30-19)15-9-18-21(24-11-15)27-20(26-18)14-5-7-17(29-4)8-6-14/h5-12H,13H2,1-4H3,(H,25,28)(H,24,26,27)","SMAIRFQFHKTXBK-UHFFFAOYSA-N",null,30]
["D13064",16050,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50448986","COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(=O)NCC(C)(C)CO","InChI=1S/C23H24N4O3S/c1-23(2,13-28)12-25-22(29)19-9-16(11-31-19)15-8-18-21(24-10-15)27-20(26-18)14-4-6-17(30-3)7-5-14/h4-11,28H,12-13H2,1-3H3,(H,25,29)(H,24,26,27)","SSAAGCQGRIMQSH-UHFFFAOYSA-N",null,100]
["D13065",15709,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50448984","COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(=O)NCC(C)C","InChI=1S/C22H22N4O2S/c1-13(2)10-24-22(27)19-9-16(12-29-19)15-8-18-21(23-11-15)26-20(25-18)14-4-6-17(28-3)7-5-14/h4-9,11-13H,10H2,1-3H3,(H,24,27)(H,23,25,26)","KMIUIHAGKAMAMN-UHFFFAOYSA-N",null,37]
["D13066",15940,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50448982","COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(=O)NCCC(C)C","InChI=1S/C23H24N4O2S/c1-14(2)8-9-24-23(28)20-11-17(13-30-20)16-10-19-22(25-12-16)27-21(26-19)15-4-6-18(29-3)7-5-15/h4-7,10-14H,8-9H2,1-3H3,(H,24,28)(H,25,26,27)","TVWMRPWVPSKLOP-UHFFFAOYSA-N",null,78]
["D13067",16768,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50448989","COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(C)=O","InChI=1S/C19H15N3O2S/c1-11(23)17-8-14(10-25-17)13-7-16-19(20-9-13)22-18(21-16)12-3-5-15(24-2)6-4-12/h3-10H,1-2H3,(H,20,21,22)","GCGZPJLTXHNZIM-UHFFFAOYSA-N",null,650]
["D13068",15609,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50448993","COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(N)=O","InChI=1S/C18H14N4O2S/c1-24-13-4-2-10(3-5-13)17-21-14-6-11(8-20-18(14)22-17)12-7-15(16(19)23)25-9-12/h2-9H,1H3,(H2,19,23)(H,20,21,22)","ULGOPTXVFIQHMI-UHFFFAOYSA-N",null,30]
["D13069",15796,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50448973","COc1ccc(cc1)-c1nc2ncc(cc2[nH]1)-c1csc(c1)C(O)=O","InChI=1S/C18H13N3O3S/c1-24-13-4-2-10(3-5-13)16-20-14-6-11(8-19-17(14)21-16)12-7-15(18(22)23)25-9-12/h2-9H,1H3,(H,22,23)(H,19,20,21)","PDMRUTWXKCFDFD-UHFFFAOYSA-N",null,49]
["D13070",31771,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43571","COc1ccc(cc1)-c1nc2scc(-c3ccccc3)n2n1","InChI=1S/C17H13N3OS/c1-21-14-9-7-13(8-10-14)16-18-17-20(19-16)15(11-22-17)12-5-3-2-4-6-12/h2-11H,1H3","MCAZWYQPWRTUNO-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D13071",4577,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66528","COc1ccc(cc1)-c1nn(cc1\\C=C\\C(=O)OCC(=O)Nc1ccccc1C#N)-c1ccccc1","InChI=1S/C28H22N4O4/c1-35-24-14-11-20(12-15-24)28-22(18-32(31-28)23-8-3-2-4-9-23)13-16-27(34)36-19-26(33)30-25-10-6-5-7-21(25)17-29/h2-16,18H,19H2,1H3,(H,30,33)/b16-13+","XRMGUUCTCVVUQZ-DTQAZKPQSA-N",{"$nulls":3},21200]
["D13072",31764,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM31699","COc1ccc(cc1)-c1nnc(Nc2nc3c(OC)cccc3s2)o1","InChI=1S/C17H14N4O3S/c1-22-11-8-6-10(7-9-11)15-20-21-16(24-15)19-17-18-14-12(23-2)4-3-5-13(14)25-17/h3-9H,1-2H3,(H,18,19,21)","FBCSWQRNKAYAGY-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D13073",11816,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42973","COc1ccc(cc1)-c1noc(Cc2ccccc2OC)n1","InChI=1S/C17H16N2O3/c1-20-14-9-7-12(8-10-14)17-18-16(22-19-17)11-13-5-3-4-6-15(13)21-2/h3-10H,11H2,1-2H3","UAWLNTMQOFCYFS-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D13074",4807,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50305862","COc1ccc(cc1)-c1noc2cc(-c3ccccc3)n(C)c(=O)c12","InChI=1S/C20H16N2O3/c1-22-16(13-6-4-3-5-7-13)12-17-18(20(22)23)19(21-25-17)14-8-10-15(24-2)11-9-14/h3-12H,1-2H3","LWWQDJCKHLPQAP-UHFFFAOYSA-N",null,29]
["D13075",12341,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM48212","COc1ccc(cc1)-c1nsc2c(ncnc12)N1CCCCC1","InChI=1S/C17H18N4OS/c1-22-13-7-5-12(6-8-13)14-15-16(23-20-14)17(19-11-18-15)21-9-3-2-4-10-21/h5-8,11H,2-4,9-10H2,1H3","SIYLIPGDRPIPGJ-UHFFFAOYSA-N",null,">35888"]
["D13076",4147,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67033","COc1ccc(cc1)-c1oc(=O)c2cc(OC)c(OC)cc2c1\\C=C\\c1cccc(c1)[N+]([O-])=O","InChI=1S/C26H21NO7/c1-31-19-10-8-17(9-11-19)25-20(12-7-16-5-4-6-18(13-16)27(29)30)21-14-23(32-2)24(33-3)15-22(21)26(28)34-25/h4-15H,1-3H3/b12-7+","SQDQJJQPARSQQC-KPKJPENVSA-N",{"$nulls":3},">350000"]
["D13077",12082,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM5241","COc1ccc(cc1)-n1cnc(N)c1C(=O)c1cccc(c1)[N+]([O-])=O","InChI=1S/C17H14N4O4/c1-25-14-7-5-12(6-8-14)20-10-19-17(18)15(20)16(22)11-3-2-4-13(9-11)21(23)24/h2-10H,18H2,1H3","CMNCXFJVZMACFP-UHFFFAOYSA-N",null,3867]
["D13078",12198,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM50224397","COc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O","InChI=1S/C18H16N4O2S/c1-21(2)13-8-9-19-17-14(13)15-16(25-17)18(23)22(10-20-15)11-4-6-12(24-3)7-5-11/h4-10H,1-3H3","COQPVKMATNFNLG-UHFFFAOYSA-N",null,8187]
["D13079",3988,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66893","COc1ccc(cc1)-n1ncc2C(CC(C)(C)Cc12)NC(=O)Cc1nonc1C","InChI=1S/C21H25N5O3/c1-13-17(25-29-24-13)9-20(27)23-18-10-21(2,3)11-19-16(18)12-22-26(19)14-5-7-15(28-4)8-6-14/h5-8,12,18H,9-11H2,1-4H3,(H,23,27)","ZVNBDZKLVZEEBQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13080",12412,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42935","COc1ccc(cc1)C(=O)C(C)(C)NO","InChI=1S/C11H15NO3/c1-11(2,12-14)10(13)8-4-6-9(15-3)7-5-8/h4-7,12,14H,1-3H3","VOBIVDNKJVZLDT-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D13081",4528,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66486","COc1ccc(cc1)C(=O)COC(=O)CNS(=O)(=O)c1ccc(C)cc1","InChI=1S/C18H19NO6S/c1-13-3-9-16(10-4-13)26(22,23)19-11-18(21)25-12-17(20)14-5-7-15(24-2)8-6-14/h3-10,19H,11-12H2,1-2H3","WHCXCYAGBURLSH-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13082",12361,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42893","COc1ccc(cc1)C(=O)CSc1nnc(o1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1","InChI=1S/C21H21N3O6S2/c1-28-17-6-2-15(3-7-17)19(25)14-31-21-23-22-20(30-21)16-4-8-18(9-5-16)32(26,27)24-10-12-29-13-11-24/h2-9H,10-14H2,1H3","GCVYZHGAXLCENR-UHFFFAOYSA-N",{"$nulls":3},53530]
["D13083",4610,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66559","COc1ccc(cc1)C(=O)NNC(=O)CSc1nc2n(C)c(=O)n(C)c(=O)c2n1C","InChI=1S/C18H20N6O5S/c1-22-13-14(23(2)18(28)24(3)16(13)27)19-17(22)30-9-12(25)20-21-15(26)10-5-7-11(29-4)8-6-10/h5-8H,9H2,1-4H3,(H,20,25)(H,21,26)","FWFHQCQABHUKLC-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13084",11845,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42998","COc1ccc(cc1)C(=O)Nc1cc(C)c2c(n1)c1ccccc1oc2=O","InChI=1S/C21H16N2O4/c1-12-11-17(23-20(24)13-7-9-14(26-2)10-8-13)22-19-15-5-3-4-6-16(15)27-21(25)18(12)19/h3-11H,1-2H3,(H,22,23,24)","GZJBSCBHENRIDX-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D13085",3794,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66726","COc1ccc(cc1)C(=O)Nc1cccc2CCCCc12","InChI=1S/C18H19NO2/c1-21-15-11-9-14(10-12-15)18(20)19-17-8-4-6-13-5-2-3-7-16(13)17/h4,6,8-12H,2-3,5,7H2,1H3,(H,19,20)","UDUPAJDDKKRWGU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13086",4164,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67048","COc1ccc(cc1)C(CNC(=O)c1cc(ccc1C)S(=O)(=O)NCc1ccco1)N(C)C","InChI=1S/C24H29N3O5S/c1-17-7-12-21(33(29,30)26-15-20-6-5-13-32-20)14-22(17)24(28)25-16-23(27(2)3)18-8-10-19(31-4)11-9-18/h5-14,23,26H,15-16H2,1-4H3,(H,25,28)","ADNUVTVBWBLJMP-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13087",12076,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM70759","COc1ccc(cc1)C(N(C(=O)CCl)c1ccc(Cl)cc1)C(=O)NC1CCCCC1","InChI=1S/C23H26Cl2N2O3/c1-30-20-13-7-16(8-14-20)22(23(29)26-18-5-3-2-4-6-18)27(21(28)15-24)19-11-9-17(25)10-12-19/h7-14,18,22H,2-6,15H2,1H3,(H,26,29)","RMLMLLHAWZPLLR-UHFFFAOYSA-N",null,3696]
["D13088",12181,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87274","COc1ccc(cc1)C(N(C(=O)CCl)c1ccc(OC)cc1)C(=O)NC1CCCCC1","InChI=1S/C24H29ClN2O4/c1-30-20-12-8-17(9-13-20)23(24(29)26-18-6-4-3-5-7-18)27(22(28)16-25)19-10-14-21(31-2)15-11-19/h8-15,18,23H,3-7,16H2,1-2H3,(H,26,29)","HZEBNJIMAAAVHT-UHFFFAOYSA-N",null,7793]
["D13089",12013,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43144","COc1ccc(cc1)C(N)=NOC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1","InChI=1S/C18H21N3O5S/c1-13-4-10-16(11-5-13)27(23,24)21(2)12-17(22)26-20-18(19)14-6-8-15(25-3)9-7-14/h4-11H,12H2,1-3H3,(H2,19,20)","FEYIBZKXDFIPDK-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D13090",25967,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481467","COc1ccc(cc1)C(N1CCN(CC1)C(=O)CC(c1ccccc1)c1ccccc1)c1ccc(OC)cc1","InChI=1S/C34H36N2O3/c1-38-30-17-13-28(14-18-30)34(29-15-19-31(39-2)20-16-29)36-23-21-35(22-24-36)33(37)25-32(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-20,32,34H,21-25H2,1-2H3","CBDZLOJIUYHCHO-UHFFFAOYSA-N",null,240]
["D13091",25969,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481468","COc1ccc(cc1)C(N1CCN(CC1)C(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1","InChI=1S/C33H34N2O2/c1-37-30-19-17-29(18-20-30)33(28-15-9-4-10-16-28)35-23-21-34(22-24-35)32(36)25-31(26-11-5-2-6-12-26)27-13-7-3-8-14-27/h2-20,31,33H,21-25H2,1H3","HWGMUVSZGFXYSD-UHFFFAOYSA-N",null,250]
["D13092",4759,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66680","COc1ccc(cc1)C(O)Cc1nccn1C","InChI=1S/C13H16N2O2/c1-15-8-7-14-13(15)9-12(16)10-3-5-11(17-2)6-4-10/h3-8,12,16H,9H2,1-2H3","ZHYZRRIJGNZAIQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13093",4370,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66303","COc1ccc(cc1)C1(CCOCC1)C(=O)NCCCN(C)C","InChI=1S/C18H28N2O3/c1-20(2)12-4-11-19-17(21)18(9-13-23-14-10-18)15-5-7-16(22-3)8-6-15/h5-8H,4,9-14H2,1-3H3,(H,19,21)","HLXLIGDUBRVVMX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13094",31881,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50189929","COc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12","InChI=1S/C17H16N6OS/c1-24-11-7-5-10(6-8-11)14-9-25-17-21-20-16(23(17)22-14)15-12-3-2-4-13(12)18-19-15/h5-8H,2-4,9H2,1H3,(H,18,19)","UEVMXEZUMHYJAY-UHFFFAOYSA-N",null,40600]
["D13095",31880,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50189930","COc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1","InChI=1S/C20H16N6OS/c1-27-15-9-7-14(8-10-15)18-12-28-20-24-23-19(26(20)25-18)17-11-16(21-22-17)13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,21,22)","MQDVTXABMFOTPZ-UHFFFAOYSA-N",null,40600]
["D13096",31914,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50190100","COc1ccc(cc1)C1=Nn2c(SC1C(C)C)nnc2-c1[nH]nc2CCCc12","InChI=1S/C20H22N6OS/c1-11(2)18-16(12-7-9-13(27-3)10-8-12)25-26-19(23-24-20(26)28-18)17-14-5-4-6-15(14)21-22-17/h7-11,18H,4-6H2,1-3H3,(H,21,22)","BJURHHLGABZERL-UHFFFAOYSA-N",null,">50000"]
["D13097",31894,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50189953","COc1ccc(cc1)C1=Nn2c(SC1C)nnc2-c1[nH]nc2CCCc12","InChI=1S/C18H18N6OS/c1-10-15(11-6-8-12(25-2)9-7-11)23-24-17(21-22-18(24)26-10)16-13-4-3-5-14(13)19-20-16/h6-10H,3-5H2,1-2H3,(H,19,20)","VXXGLIVQSASNGZ-UHFFFAOYSA-N",null,">50000"]
["D13098",31851,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50189975","COc1ccc(cc1)C1=Nn2c(SC1C)nnc2-c1cc(n[nH]1)-c1ccc(Cl)cc1","InChI=1S/C21H17ClN6OS/c1-12-19(14-5-9-16(29-2)10-6-14)27-28-20(25-26-21(28)30-12)18-11-17(23-24-18)13-3-7-15(22)8-4-13/h3-12H,1-2H3,(H,23,24)","GQZXBKZMCYRMGK-UHFFFAOYSA-N",null,29500]
["D13099",31860,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50189974","COc1ccc(cc1)C1=Nn2c(SC1C)nnc2-c1cc(n[nH]1)-c1ccc(F)cc1","InChI=1S/C21H17FN6OS/c1-12-19(14-5-9-16(29-2)10-6-14)27-28-20(25-26-21(28)30-12)18-11-17(23-24-18)13-3-7-15(22)8-4-13/h3-12H,1-2H3,(H,23,24)","TZGVQABFOBPYPG-UHFFFAOYSA-N",null,">30000"]
["D13100",31924,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM518333","COc1ccc(cc1)C1=Nn2c(SC1C)nnc2-c1cc(n[nH]1)-c1ccccc1",{"$nulls":3},">50000"]
["D13101",31922,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50190102","COc1ccc(cc1)C1=Nn2c(SC1CC(C)C)nnc2-c1cc(n[nH]1)-c1ccccc1","InChI=1S/C24H24N6OS/c1-15(2)13-21-22(17-9-11-18(31-3)12-10-17)29-30-23(27-28-24(30)32-21)20-14-19(25-26-20)16-7-5-4-6-8-16/h4-12,14-15,21H,13H2,1-3H3,(H,25,26)","DQADBSJRDGCWQF-UHFFFAOYSA-N",null,">50000"]
["D13102",3621,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564956","COc1ccc(cc1)C1CCc2c(C1)cnn(-c1ccccn1)c2=O","InChI=1S/C20H19N3O2/c1-25-17-8-5-14(6-9-17)15-7-10-18-16(12-15)13-22-23(20(18)24)19-4-2-3-11-21-19/h2-6,8-9,11,13,15H,7,10,12H2,1H3","LAHIPPOMFGARSB-UHFFFAOYSA-N",null,15500]
["D13103",3905,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM47911","COc1ccc(cc1)C1N(NC(C1=O)c1c[nH]c2ccccc12)C(=O)CCl","InChI=1S/C20H18ClN3O3/c1-27-13-8-6-12(7-9-13)19-20(26)18(23-24(19)17(25)10-21)15-11-22-16-5-3-2-4-14(15)16/h2-9,11,18-19,22-23H,10H2,1H3","YUXRMQWZFVLLAB-UHFFFAOYSA-N",{"$nulls":3},68270]
["D13104",3741,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66361","COc1ccc(cc1)C1Nc2ccc3ccccc3c2-c2c1c(=O)oc1ccccc21","InChI=1S/C27H19NO3/c1-30-18-13-10-17(11-14-18)26-25-24(20-8-4-5-9-22(20)31-27(25)29)23-19-7-3-2-6-16(19)12-15-21(23)28-26/h2-15,26,28H,1H3","RERWUIIUJAUTCA-UHFFFAOYSA-N",{"$nulls":3},11020]
["D13105",3742,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66362","COc1ccc(cc1)N1C(C(CCC1=O)C(O)=O)c1ccc(OC)c(OC)c1","InChI=1S/C21H23NO6/c1-26-15-7-5-14(6-8-15)22-19(23)11-9-16(21(24)25)20(22)13-4-10-17(27-2)18(12-13)28-3/h4-8,10,12,16,20H,9,11H2,1-3H3,(H,24,25)","HBZSNPJHTRNXPY-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13106",4015,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66917","COc1ccc(cc1)N1CC(CC1=O)C(=O)N[C@@H](C(C)C)C(=O)NC(C)c1ccccc1","InChI=1S/C25H31N3O4/c1-16(2)23(25(31)26-17(3)18-8-6-5-7-9-18)27-24(30)19-14-22(29)28(15-19)20-10-12-21(32-4)13-11-20/h5-13,16-17,19,23H,14-15H2,1-4H3,(H,26,31)(H,27,30)/t17?,19?,23-/m0/s1","FOTXUKGIOQXFTE-WFHLNLCJSA-N",{"$nulls":3},">350000"]
["D13107",11847,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM34679","COc1ccc(cc1)N1CCC(CNC(=O)Nc2ccccc2)C1","InChI=1S/C19H23N3O2/c1-24-18-9-7-17(8-10-18)22-12-11-15(14-22)13-20-19(23)21-16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H2,20,21,23)","VNWVBDVRTRNBSU-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D13108",3952,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66859","COc1ccc(cc1)N1CCN(CC1)C(=O)C1CCN(CC1)C(=O)c1ccc(cc1)[N+]([O-])=O","InChI=1S/C24H28N4O5/c1-33-22-8-6-20(7-9-22)25-14-16-27(17-15-25)24(30)19-10-12-26(13-11-19)23(29)18-2-4-21(5-3-18)28(31)32/h2-9,19H,10-17H2,1H3","XRSFMEVMEGOVKV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13109",4226,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66234","COc1ccc(cc1)N1CCN(CC1)C(=O)CCn1nnc2ccccc12","InChI=1S/C20H23N5O2/c1-27-17-8-6-16(7-9-17)23-12-14-24(15-13-23)20(26)10-11-25-19-5-3-2-4-18(19)21-22-25/h2-9H,10-15H2,1H3","VOOJGSHYFOWEOV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13110",32300,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446031","COc1ccc(cc1)N1CCN(CC1)C(=O)N1CCOCC1","InChI=1S/C16H23N3O3/c1-21-15-4-2-14(3-5-15)17-6-8-18(9-7-17)16(20)19-10-12-22-13-11-19/h2-5H,6-13H2,1H3","LQTPRRLRTAQMEJ-UHFFFAOYSA-N",null,">30000"]
["D13111",31994,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67098","COc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(cc1)-n1c(=S)[nH]c2ccccc2c1=O","InChI=1S/C26H24N4O3S/c1-33-21-12-10-19(11-13-21)28-14-16-29(17-15-28)24(31)18-6-8-20(9-7-18)30-25(32)22-4-2-3-5-23(22)27-26(30)34/h2-13H,14-17H2,1H3,(H,27,34)","GAXFBFZMUDCCOO-UHFFFAOYSA-N",null,">55690"]
["D13112",4763,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66684","COc1ccc(cc1)N1CCN(CC1)C1CCCN(Cc2cccc(c2)C(C)=O)C1","InChI=1S/C25H33N3O2/c1-20(29)22-6-3-5-21(17-22)18-26-12-4-7-24(19-26)28-15-13-27(14-16-28)23-8-10-25(30-2)11-9-23/h3,5-6,8-11,17,24H,4,7,12-16,18-19H2,1-2H3","TUYCMZGYPAETAZ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13113",4182,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67065","COc1ccc(cc1)S(=O)(=O)N(C)C[C@H]1Oc2ccc(NC(=O)Nc3c(C)noc3C)cc2C(=O)N(C[C@@H]1C)[C@H](C)CO","InChI=1S/C29H37N5O8S/c1-17-14-34(18(2)16-35)28(36)24-13-21(30-29(37)31-27-19(3)32-42-20(27)4)7-12-25(24)41-26(17)15-33(5)43(38,39)23-10-8-22(40-6)9-11-23/h7-13,17-18,26,35H,14-16H2,1-6H3,(H2,30,31,37)/t17-,18+,26+/m0/s1","KAIFSXNQEUFTRX-CUAXAMRHSA-N",{"$nulls":3},">350000"]
["D13114",3975,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66881","COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCCSc1ccccn1)c1ccccc1","InChI=1S/C22H23N3O4S2/c1-29-19-10-12-20(13-11-19)31(27,28)25(18-7-3-2-4-8-18)17-21(26)23-15-16-30-22-9-5-6-14-24-22/h2-14H,15-17H2,1H3,(H,23,26)","INFKTOSKXSUDSU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13115",4675,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66614","COc1ccc(cc1)S(=O)(=O)N1CC(O)CC1C(=O)OCC(=O)Nc1ccc(Cl)cn1","InChI=1S/C19H20ClN3O7S/c1-29-14-3-5-15(6-4-14)31(27,28)23-10-13(24)8-16(23)19(26)30-11-18(25)22-17-7-2-12(20)9-21-17/h2-7,9,13,16,24H,8,10-11H2,1H3,(H,21,22,25)","QYEIXNFTLDOHBA-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13116",4527,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66485","COc1ccc(cc1)S(=O)(=O)N1CC(O)CC1C(=O)OCc1nc2sc(C)c(C)c2c(=O)[nH]1","InChI=1S/C21H23N3O7S2/c1-11-12(2)32-20-18(11)19(26)22-17(23-20)10-31-21(27)16-8-13(25)9-24(16)33(28,29)15-6-4-14(30-3)5-7-15/h4-7,13,16,25H,8-10H2,1-3H3,(H,22,23,26)","CPEYSWMCBVVXML-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13117",4013,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66915","COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N[C@@H](C)C(=O)NCc1ccncc1","InChI=1S/C22H28N4O5S/c1-16(21(27)24-15-17-7-11-23-12-8-17)25-22(28)18-9-13-26(14-10-18)32(29,30)20-5-3-19(31-2)4-6-20/h3-8,11-12,16,18H,9-10,13-15H2,1-2H3,(H,24,27)(H,25,28)/t16-/m0/s1","ALGXZJXHMXLHEL-INIZCTEOSA-N",{"$nulls":3},">350000"]
["D13118",4780,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66699","COc1ccc(cc1)S(=O)(=O)N1CCCCC1C","InChI=1S/C13H19NO3S/c1-11-5-3-4-10-14(11)18(15,16)13-8-6-12(17-2)7-9-13/h6-9,11H,3-5,10H2,1-2H3","YVZUDJRHJZHAHV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13119",4350,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66288","COc1ccc(cc1)S(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O","InChI=1S/C18H19N3O4S/c1-13-17(18(22)21(20(13)2)14-7-5-4-6-8-14)19-26(23,24)16-11-9-15(25-3)10-12-16/h4-12,19H,1-3H3","TWQMFVMZYMEMNQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13120",12003,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43134","COc1ccc(cc1)S(=O)(=O)Nc1c(F)cccc1F","InChI=1S/C13H11F2NO3S/c1-19-9-5-7-10(8-6-9)20(17,18)16-13-11(14)3-2-4-12(13)15/h2-8,16H,1H3","VRXPJXZDBZKKFD-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D13121",4389,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66315","COc1ccc(cc1)S(=O)(=O)Nc1ccc(NC(C)=O)cc1","InChI=1S/C15H16N2O4S/c1-11(18)16-12-3-5-13(6-4-12)17-22(19,20)15-9-7-14(21-2)8-10-15/h3-10,17H,1-2H3,(H,16,18)","VPIUPHXZTCGBBP-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13122",4159,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67043","COc1ccc(cc1)[C@H]1CC(=O)C=C(C1)c1ccccc1C(F)(F)F","InChI=1S/C20H17F3O2/c1-25-17-8-6-13(7-9-17)14-10-15(12-16(24)11-14)18-4-2-3-5-19(18)20(21,22)23/h2-9,12,14H,10-11H2,1H3/t14-/m1/s1","WNSCQIZFBIZGRC-CQSZACIVSA-N",{"$nulls":3},">350000"]
["D13123",5012,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50398743","COc1ccc(cc1-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1)C(O)=O","InChI=1S/C28H27NO5/c1-33-26-12-9-20(28(31)32)15-25(26)19-6-4-5-18(13-19)17-34-23-10-11-24-21(14-23)16-29(27(24)30)22-7-2-3-8-22/h4-6,9-15,22H,2-3,7-8,16-17H2,1H3,(H,31,32)","BUZSAAKSFZMGDU-UHFFFAOYSA-N",{"$nulls":3},">30000"]
["D13124",16922,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276957","COc1ccc(cc1-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1)C#N","InChI=1S/C24H21N5O2/c1-30-22-7-2-16(14-25)12-19(22)23-20-13-21(28-24(20)27-15-26-23)17-3-5-18(6-4-17)29-8-10-31-11-9-29/h2-7,12-13,15H,8-11H2,1H3,(H,26,27,28)","GWVSTPHKYBUVGQ-UHFFFAOYSA-N",null,1000]
["D13125",4827,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50305876","COc1ccc(cc1Br)-c1cc2onc(-c3ccccc3)c2c(=O)n1C","InChI=1S/C20H15BrN2O3/c1-23-15(13-8-9-16(25-2)14(21)10-13)11-17-18(20(23)24)19(22-26-17)12-6-4-3-5-7-12/h3-11H,1-2H3","SCKHJYQNEIVLRE-UHFFFAOYSA-N",null,580]
["D13126",4427,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66341","COc1ccc(cc1Br)C(=O)NCc1cccnc1","InChI=1S/C14H13BrN2O2/c1-19-13-5-4-11(7-12(13)15)14(18)17-9-10-3-2-6-16-8-10/h2-8H,9H2,1H3,(H,17,18)","WCTWWMCMNKBESQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13127",17715,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569940","COc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NC(C)C(CO)CO4)cc3F)c12",{"$nulls":3},16700]
["D13128",17934,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569918","COc1ccc(cc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D13129",15976,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276848","COc1ccc(cc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C25H22N4O2/c1-30-24-7-4-18(14-19(24)16-26)21-8-9-27-25-22(21)15-23(28-25)17-2-5-20(6-3-17)29-10-12-31-13-11-29/h2-9,14-15H,10-13H2,1H3,(H,27,28)","JSFBWYJTTJZRLI-UHFFFAOYSA-N",null,89.8]
["D13130",15749,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277882","COc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C24H25N7O2/c1-32-22-7-2-17(12-18(22)13-25)23-26-16-27-24(29-23)28-19-3-5-20(6-4-19)30-8-10-31(11-9-30)21-14-33-15-21/h2-7,12,16,21H,8-11,14-15H2,1H3,(H,26,27,28,29)","VZSOUNDFMKVZSC-UHFFFAOYSA-N",null,42]
["D13131",3895,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66816","COc1ccc(cc1C(=O)OCCCOc1ccc(F)cc1)S(N)(=O)=O","InChI=1S/C17H18FNO6S/c1-23-16-8-7-14(26(19,21)22)11-15(16)17(20)25-10-2-9-24-13-5-3-12(18)4-6-13/h3-8,11H,2,9-10H2,1H3,(H2,19,21,22)","LMFWYQNEVDBOLN-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13132",4022,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66924","COc1ccc(cc1C(N)=O)S(=O)(=O)NC1CCCC1","InChI=1S/C13H18N2O4S/c1-19-12-7-6-10(8-11(12)13(14)16)20(17,18)15-9-4-2-3-5-9/h6-9,15H,2-5H2,1H3,(H2,14,16)","FUGPIJDGQLOCND-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13133",5015,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50283477","COc1ccc(cc1C)-c1c(C)nn2c(cc(C)nc12)C(F)(F)F","InChI=1S/C17H16F3N3O/c1-9-7-12(5-6-13(9)24-4)15-11(3)22-23-14(17(18,19)20)8-10(2)21-16(15)23/h5-8H,1-4H3","FAJJUFIIPFKHQD-UHFFFAOYSA-N",{"$nulls":3},2951]
["D13134",5019,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50283482","COc1ccc(cc1Cl)-c1c(C)nn2c(cc(C)nc12)C(F)(F)F","InChI=1S/C16H13ClF3N3O/c1-8-6-13(16(18,19)20)23-15(21-8)14(9(2)22-23)10-4-5-12(24-3)11(17)7-10/h4-7H,1-3H3","SXZDEMGBLDUORL-UHFFFAOYSA-N",{"$nulls":3},2291]
["D13135",11889,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM41052","COc1ccc(cc1Cl)-n1nc(C(=O)NCC(=O)Nc2ccccn2)c2ccccc2c1=O","InChI=1S/C23H18ClN5O4/c1-33-18-10-9-14(12-17(18)24)29-23(32)16-7-3-2-6-15(16)21(28-29)22(31)26-13-20(30)27-19-8-4-5-11-25-19/h2-12H,13H2,1H3,(H,26,31)(H,25,27,30)","DJNJAPYZRRUAEI-UHFFFAOYSA-N",{"$nulls":3},37720]
["D13136",4459,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66431","COc1ccc(cc1Cl)N(C(C(=O)NCCc1ccccc1)c1cccs1)C(=O)CCl","InChI=1S/C23H22Cl2N2O3S/c1-30-19-10-9-17(14-18(19)25)27(21(28)15-24)22(20-8-5-13-31-20)23(29)26-12-11-16-6-3-2-4-7-16/h2-10,13-14,22H,11-12,15H2,1H3,(H,26,29)","UNVKYJSNMVDZJE-UHFFFAOYSA-N",{"$nulls":3},70600]
["D13137",5016,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50283479","COc1ccc(cc1F)-c1c(C)nn2c(cc(C)nc12)C(F)(F)F","InChI=1S/C16H13F4N3O/c1-8-6-13(16(18,19)20)23-15(21-8)14(9(2)22-23)10-4-5-12(24-3)11(17)7-10/h4-7H,1-3H3","CMTAUAIINILRPR-UHFFFAOYSA-N",{"$nulls":3},1500]
["D13138",4815,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50305875","COc1ccc(cc1F)-c1cc2onc(-c3ccccc3)c2c(=O)n1C","InChI=1S/C20H15FN2O3/c1-23-15(13-8-9-16(25-2)14(21)10-13)11-17-18(20(23)24)19(22-26-17)12-6-4-3-5-7-12/h3-11H,1-2H3","DMKBAOQWTBZRST-UHFFFAOYSA-N",null,210]
["D13139",4916,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50523864","COc1ccc(cc1F)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-n1cncn1","InChI=1S/C18H11F4N5O3/c1-28-15-5-2-10(6-13(15)19)16-25-26-17(29-16)12-7-11(30-18(20,21)22)3-4-14(12)27-9-23-8-24-27/h2-9H,1H3","CYAAJEPOZNKZEL-UHFFFAOYSA-N",null,">30000"]
["D13140",31840,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46366","COc1ccc(cc1NC(=O)COc1ccc(C)cc1)-c1nn(C)c(=O)c2ccccc12","InChI=1S/C25H23N3O4/c1-16-8-11-18(12-9-16)32-15-23(29)26-21-14-17(10-13-22(21)31-3)24-19-6-4-5-7-20(19)25(30)28(2)27-24/h4-14H,15H2,1-3H3,(H,26,29)","NRFRKRXQLASGDG-UHFFFAOYSA-N",null,18930]
["D13141",4298,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM41088","COc1ccc(cc1NC(=S)NC(=O)c1ccc2OCCOc2c1)-c1cc2ccccc2oc1=O","InChI=1S/C26H20N2O6S/c1-31-21-8-6-15(18-12-16-4-2-3-5-20(16)34-25(18)30)13-19(21)27-26(35)28-24(29)17-7-9-22-23(14-17)33-11-10-32-22/h2-9,12-14H,10-11H2,1H3,(H2,27,28,29,35)","NDELHAZBCMWPKK-UHFFFAOYSA-N",{"$nulls":3},6804]
["D13142",4106,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66993","COc1ccc(cc1NC(C)=O)S(=O)(=O)Nc1ccccc1C(=O)NC1CC1","InChI=1S/C19H21N3O5S/c1-12(23)20-17-11-14(9-10-18(17)27-2)28(25,26)22-16-6-4-3-5-15(16)19(24)21-13-7-8-13/h3-6,9-11,13,22H,7-8H2,1-2H3,(H,20,23)(H,21,24)","BEFVONVQJATKOC-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13143",417,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575779","COc1ccc(cc1OC)-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O","InChI=1S/C24H32FN2O6P/c1-32-21-8-6-17(13-22(21)33-2)20-14-19(25)7-5-18(20)15-27-11-12-34(30,31)24(16-27,23(28)29)9-3-4-10-26/h5-8,13-14H,3-4,9-12,15-16,26H2,1-2H3,(H,28,29)(H,30,31)/t24-/m0/s1","OMNZYBADSYJRIF-DEOSSOPVSA-N",null,8]
["D13144",31829,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43531","COc1ccc(cc1OC)-c1cc(nc(n1)S(=O)(=O)CCCC(=O)Nc1cc(C)on1)C(F)(F)F","InChI=1S/C21H21F3N4O6S/c1-12-9-18(28-34-12)27-19(29)5-4-8-35(30,31)20-25-14(11-17(26-20)21(22,23)24)13-6-7-15(32-2)16(10-13)33-3/h6-7,9-11H,4-5,8H2,1-3H3,(H,27,28,29)","SLHLOLWJUOMYCD-UHFFFAOYSA-N",null,17830]
["D13145",31871,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43525","COc1ccc(cc1OC)-c1cc(nc(n1)S(=O)(=O)CCCC(=O)Nc1cccc(O)c1)C(F)(F)F","InChI=1S/C23H22F3N3O6S/c1-34-18-9-8-14(11-19(18)35-2)17-13-20(23(24,25)26)29-22(28-17)36(32,33)10-4-7-21(31)27-15-5-3-6-16(30)12-15/h3,5-6,8-9,11-13,30H,4,7,10H2,1-2H3,(H,27,31)","FECLPXHPCIECQQ-UHFFFAOYSA-N",null,31010]
["D13146",31714,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43453","COc1ccc(cc1OC)-c1cc(nc(n1)S(=O)(=O)CCCC(=O)Nc1cccnc1Cl)C(F)(F)F","InChI=1S/C22H20ClF3N4O5S/c1-34-16-8-7-13(11-17(16)35-2)15-12-18(22(24,25)26)30-21(29-15)36(32,33)10-4-6-19(31)28-14-5-3-9-27-20(14)23/h3,5,7-9,11-12H,4,6,10H2,1-2H3,(H,28,31)","ZVJBPVOVKFEUJZ-UHFFFAOYSA-N",null,11090]
["D13147",14940,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276815","COc1ccc(cc1OC)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C27H25N3O4/c1-31-25-6-4-18(14-26(25)32-2)23-15-22-21(7-10-29-27(22)30-23)17-3-5-24(19(13-17)16-28)34-20-8-11-33-12-9-20/h3-7,10,13-15,20H,8-9,11-12H2,1-2H3,(H,29,30)","LNMLTSVLONLVTE-UHFFFAOYSA-N",null,8.19,{"$nulls":4},7]
["D13148",4129,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67015","COc1ccc(cc1OC)-c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)NCCOc1ccccc1","InChI=1S/C30H25NO7S/c1-36-24-14-12-19(17-25(24)37-2)20-11-13-22-27(18-20)39(34,35)26-10-6-9-23(28(26)29(22)32)30(33)31-15-16-38-21-7-4-3-5-8-21/h3-14,17-18H,15-16H2,1-2H3,(H,31,33)","ZWIJELXYBBYWML-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13149",4128,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67014","COc1ccc(cc1OC)-c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)NC[C@@H]1CCCO1","InChI=1S/C27H25NO7S/c1-33-21-11-9-16(13-22(21)34-2)17-8-10-19-24(14-17)36(31,32)23-7-3-6-20(25(23)26(19)29)27(30)28-15-18-5-4-12-35-18/h3,6-11,13-14,18H,4-5,12,15H2,1-2H3,(H,28,30)/t18-/m0/s1","LEOCGDXQCOGAPF-SFHVURJKSA-N",{"$nulls":3},">350000"]
["D13150",4133,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67019","COc1ccc(cc1OC)-c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)NCc1cccc(OC(F)(F)F)c1","InChI=1S/C30H22F3NO7S/c1-39-23-12-10-18(14-24(23)40-2)19-9-11-21-26(15-19)42(37,38)25-8-4-7-22(27(25)28(21)35)29(36)34-16-17-5-3-6-20(13-17)41-30(31,32)33/h3-15H,16H2,1-2H3,(H,34,36)","OWLAVFZCLXNHOO-UHFFFAOYSA-N",{"$nulls":3},20390]
["D13151",4874,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50523884","COc1ccc(cc1OC)-c1cnc(o1)-c1cc(OC(F)(F)F)ccc1-n1cncn1","InChI=1S/C20H15F3N4O4/c1-28-16-6-3-12(7-17(16)29-2)18-9-25-19(30-18)14-8-13(31-20(21,22)23)4-5-15(14)27-11-24-10-26-27/h3-11H,1-2H3","VQELGAQACFTWGG-UHFFFAOYSA-N",null,2080]
["D13152",4903,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50523867","COc1ccc(cc1OC)-c1coc(n1)-c1cc(OC(F)(F)F)ccc1-n1cncn1","InChI=1S/C20H15F3N4O4/c1-28-17-6-3-12(7-18(17)29-2)15-9-30-19(26-15)14-8-13(31-20(21,22)23)4-5-16(14)27-11-24-10-25-27/h3-11H,1-2H3","BALOOAJRLWUXJH-UHFFFAOYSA-N",null,7630]
["D13153",3999,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66902","COc1ccc(cc1OC)-c1nc(CN2CCN(CC2)C(=O)c2ccco2)c(C)o1","InChI=1S/C22H25N3O5/c1-15-17(23-21(30-15)16-6-7-18(27-2)20(13-16)28-3)14-24-8-10-25(11-9-24)22(26)19-5-4-12-29-19/h4-7,12-13H,8-11,14H2,1-3H3","IONXESWWCOXTFC-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13154",4879,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50523868","COc1ccc(cc1OC)-c1nc(no1)-c1cc(OC(F)(F)F)ccc1-n1cncn1","InChI=1S/C19H14F3N5O4/c1-28-15-6-3-11(7-16(15)29-2)18-25-17(26-31-18)13-8-12(30-19(20,21)22)4-5-14(13)27-10-23-9-24-27/h3-10H,1-2H3","NKELMXRNOCZPPQ-UHFFFAOYSA-N",null,2390]
["D13155",12414,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM37730","COc1ccc(cc1OC)-c1nc(no1)-c1ccc(NC(=O)c2ccc(Br)o2)cc1","InChI=1S/C21H16BrN3O5/c1-27-15-8-5-13(11-17(15)28-2)21-24-19(25-30-21)12-3-6-14(7-4-12)23-20(26)16-9-10-18(22)29-16/h3-11H,1-2H3,(H,23,26)","FAOKGBNOHROHDV-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D13156",4938,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50523882","COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-c1cccnc1","InChI=1S/C22H16F3N3O4/c1-29-18-8-5-13(10-19(18)30-2)20-27-28-21(31-20)17-11-15(32-22(23,24)25)6-7-16(17)14-4-3-9-26-12-14/h3-12H,1-2H3","UAXDEWNGWUVQAX-UHFFFAOYSA-N",null,">30000"]
["D13157",4859,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50523870","COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-c1ccnn1C","InChI=1S/C21H17F3N4O4/c1-28-16(8-9-25-28)14-6-5-13(32-21(22,23)24)11-15(14)20-27-26-19(31-20)12-4-7-17(29-2)18(10-12)30-3/h4-11H,1-3H3","LXMFLYVFIITMSH-UHFFFAOYSA-N",null,1320]
["D13158",4877,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50523879","COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-c1cn[nH]c1","InChI=1S/C20H15F3N4O4/c1-28-16-6-3-11(7-17(16)29-2)18-26-27-19(30-18)15-8-13(31-20(21,22)23)4-5-14(15)12-9-24-25-10-12/h3-10H,1-2H3,(H,24,25)","DVGWGWHJPJFWAO-UHFFFAOYSA-N",null,2240]
["D13159",4930,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50523885","COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-c1cnn(C)c1","InChI=1S/C21H17F3N4O4/c1-28-11-13(10-25-28)15-6-5-14(32-21(22,23)24)9-16(15)20-27-26-19(31-20)12-4-7-17(29-2)18(8-12)30-3/h4-11H,1-3H3","ZFKPRJZBVPNLEF-UHFFFAOYSA-N",null,">30000"]
["D13160",4888,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50523869","COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-c1cscn1","InChI=1S/C20H14F3N3O4S/c1-27-16-6-3-11(7-17(16)28-2)18-25-26-19(29-18)14-8-12(30-20(21,22)23)4-5-13(14)15-9-31-10-24-15/h3-10H,1-2H3","GUBJEWOMRHIYMI-UHFFFAOYSA-N",null,3530]
["D13161",4873,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50523863","COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-n1cccn1","InChI=1S/C20H15F3N4O4/c1-28-16-7-4-12(10-17(16)29-2)18-25-26-19(30-18)14-11-13(31-20(21,22)23)5-6-15(14)27-9-3-8-24-27/h3-11H,1-2H3","PRBIHULYVOZYOM-UHFFFAOYSA-N",null,2040]
["D13162",4826,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50523865","COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-n1ccnc1","InChI=1S/C20H15F3N4O4/c1-28-16-6-3-12(9-17(16)29-2)18-25-26-19(30-18)14-10-13(31-20(21,22)23)4-5-15(14)27-8-7-24-11-27/h3-11H,1-2H3","QDBAGSYNQOBNDU-UHFFFAOYSA-N",null,570]
["D13163",4869,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50523881","COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-n1cncn1","InChI=1S/C19H14F3N5O4/c1-28-15-6-3-11(7-16(15)29-2)17-25-26-18(30-17)13-8-12(31-19(20,21)22)4-5-14(13)27-10-23-9-24-27/h3-10H,1-2H3","KZUGTQOTBXXYQP-UHFFFAOYSA-N",null,1580]
["D13164",4926,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50523887","COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1N1CCCC1","InChI=1S/C21H20F3N3O4/c1-28-17-8-5-13(11-18(17)29-2)19-25-26-20(30-19)15-12-14(31-21(22,23)24)6-7-16(15)27-9-3-4-10-27/h5-8,11-12H,3-4,9-10H2,1-2H3","JUCHBGHBQJVHFJ-UHFFFAOYSA-N",null,">30000"]
["D13165",4899,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50523872","COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1N1CCCCC1","InChI=1S/C22H22F3N3O4/c1-29-18-9-6-14(12-19(18)30-2)20-26-27-21(31-20)16-13-15(32-22(23,24)25)7-8-17(16)28-10-4-3-5-11-28/h6-9,12-13H,3-5,10-11H2,1-2H3","BYSXYFYNCUJKEV-UHFFFAOYSA-N",null,5860]
["D13166",4922,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50523886","COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1N1CCN(C)CC1","InChI=1S/C22H23F3N4O4/c1-28-8-10-29(11-9-28)17-6-5-15(33-22(23,24)25)13-16(17)21-27-26-20(32-21)14-4-7-18(30-2)19(12-14)31-3/h4-7,12-13H,8-11H2,1-3H3","OYVIHTZTVPKPCF-UHFFFAOYSA-N",null,">30000"]
["D13167",4850,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50523871","COc1ccc(cc1OC)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1N1CCOCC1","InChI=1S/C21H20F3N3O5/c1-28-17-6-3-13(11-18(17)29-2)19-25-26-20(31-19)15-12-14(32-21(22,23)24)4-5-16(15)27-7-9-30-10-8-27/h3-6,11-12H,7-10H2,1-2H3","ZZJMPYZXFFRHBS-UHFFFAOYSA-N",null,1180]
["D13168",4860,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50523866","COc1ccc(cc1OC)-c1noc(n1)-c1cc(OC(F)(F)F)ccc1-n1cncn1","InChI=1S/C19H14F3N5O4/c1-28-15-6-3-11(7-16(15)29-2)17-25-18(31-26-17)13-8-12(30-19(20,21)22)4-5-14(13)27-10-23-9-24-27/h3-10H,1-2H3","CVSJMGJYIXRPBG-UHFFFAOYSA-N",null,1320]
["D13169",12443,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42957","COc1ccc(cc1OC)-c1noc(n1)-c1ccc(Br)o1","InChI=1S/C14H11BrN2O4/c1-18-9-4-3-8(7-11(9)19-2)13-16-14(21-17-13)10-5-6-12(15)20-10/h3-7H,1-2H3","IEZABUFWYBBOIC-UHFFFAOYSA-N",{"$nulls":3},68630]
["D13170",12009,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43140","COc1ccc(cc1OC)-n1c(=O)c(\\C=[NH+]\\NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)c2cccc[c-]2c1=O","InChI=1S/C24H19N4O8S/c1-35-21-11-10-15(13-22(21)36-2)27-23(29)19-9-4-3-8-18(19)20(24(27)30)14-25-26-37(33,34)17-7-5-6-16(12-17)28(31)32/h3-14,26H,1-2H3/q-1/p+1/b25-14+","ZMLNGPDOTPGFCH-AFUMVMLFSA-O",{"$nulls":3},">79370"]
["D13171",31831,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43533","COc1ccc(cc1OC)-n1c(SCc2cccnc2)nc2CCSc2c1=O","InChI=1S/C20H19N3O3S2/c1-25-16-6-5-14(10-17(16)26-2)23-19(24)18-15(7-9-27-18)22-20(23)28-12-13-4-3-8-21-11-13/h3-6,8,10-11H,7,9,12H2,1-2H3","GQXMMTHPHFRWFJ-UHFFFAOYSA-N",null,18500]
["D13172",11947,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43080","COc1ccc(cc1OC)C(=O)NCC(=O)N\\N=C1/C(=O)N(Cc2ccccc2)c2ccccc12","InChI=1S/C26H24N4O5/c1-34-21-13-12-18(14-22(21)35-2)25(32)27-15-23(31)28-29-24-19-10-6-7-11-20(19)30(26(24)33)16-17-8-4-3-5-9-17/h3-14H,15-16H2,1-2H3,(H,27,32)(H,28,31)/b29-24-","BRYNJBAILYGFEV-OLFWJLLRSA-N",{"$nulls":3},">79370"]
["D13173",3916,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66831","COc1ccc(cc1OC)C(=O)NCc1nnc(SCC(=O)NCc2ccco2)o1","InChI=1S/C19H20N4O6S/c1-26-14-6-5-12(8-15(14)27-2)18(25)21-10-17-22-23-19(29-17)30-11-16(24)20-9-13-4-3-7-28-13/h3-8H,9-11H2,1-2H3,(H,20,24)(H,21,25)","CTKMCVBIRDJJAD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13174",4690,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66622","COc1ccc(cc1OC)C(=O)N\\C(=C\\c1cccs1)C(=O)NN","InChI=1S/C16H17N3O4S/c1-22-13-6-5-10(8-14(13)23-2)15(20)18-12(16(21)19-17)9-11-4-3-7-24-11/h3-9H,17H2,1-2H3,(H,18,20)(H,19,21)/b12-9+","MKYICXGRADGCTI-FMIVXFBMSA-N",{"$nulls":3},">350000"]
["D13175",4897,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50280371","COc1ccc(cc1OC)C(=O)Nc1cc(Cl)ccc1-n1cncn1","InChI=1S/C17H15ClN4O3/c1-24-15-6-3-11(7-16(15)25-2)17(23)21-13-8-12(18)4-5-14(13)22-10-19-9-20-22/h3-10H,1-2H3,(H,21,23)","SMVRQKDHIRRQCD-UHFFFAOYSA-N",null,5754]
["D13176",4836,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50280368","COc1ccc(cc1OC)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1","InChI=1S/C18H15F3N4O4/c1-27-15-6-3-11(7-16(15)28-2)17(26)24-13-8-12(29-18(19,20)21)4-5-14(13)25-10-22-9-23-25/h3-10H,1-2H3,(H,24,26)","YCDOKDADFOBKIL-UHFFFAOYSA-N",null,759]
["D13177",32083,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46369","COc1ccc(cc1OC)C(=O)Nc1ccc2oc(Cc3ccc(Cl)cc3)nc2c1","InChI=1S/C23H19ClN2O4/c1-28-20-9-5-15(12-21(20)29-2)23(27)25-17-8-10-19-18(13-17)26-22(30-19)11-14-3-6-16(24)7-4-14/h3-10,12-13H,11H2,1-2H3,(H,25,27)","OWTRXLHEWOZHAT-UHFFFAOYSA-N",null,">55700"]
["D13178",17031,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205215","COc1ccc(cc1OC)C(=O)Nc1sc(nc1C(N)=O)-c1ccncc1","InChI=1S/C18H16N4O4S/c1-25-12-4-3-11(9-13(12)26-2)16(24)22-18-14(15(19)23)21-17(27-18)10-5-7-20-8-6-10/h3-9H,1-2H3,(H2,19,23)(H,22,24)","IOTVJVOERPUNCA-UHFFFAOYSA-N",null,1500,{"$nulls":4},7.5,"30.00 C"]
["D13179",4290,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66393","COc1ccc(cc1OC)C(=O)Sc1ccc(Cl)cc1","InChI=1S/C15H13ClO3S/c1-18-13-8-3-10(9-14(13)19-2)15(17)20-12-6-4-11(16)5-7-12/h3-9H,1-2H3","HXZLPWRTIGTCLO-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13180",12040,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43171","COc1ccc(cc1OC)C(=O)\\N=c1/sc2ccccc2n1C","InChI=1S/C17H16N2O3S/c1-19-12-6-4-5-7-15(12)23-17(19)18-16(20)11-8-9-13(21-2)14(10-11)22-3/h4-10H,1-3H3/b18-17-","NGGPXBKSMWABFK-ZCXUNETKSA-N",{"$nulls":3},">79370"]
["D13181",11901,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43048","COc1ccc(cc1OC)C1(CNC(=O)\\C=C/c2ccco2)CCCC1","InChI=1S/C21H25NO4/c1-24-18-9-7-16(14-19(18)25-2)21(11-3-4-12-21)15-22-20(23)10-8-17-6-5-13-26-17/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H,22,23)/b10-8-","MBUHXLRLEXBOPE-NTMALXAHSA-N",{"$nulls":3},">79370"]
["D13182",3974,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66880","COc1ccc(cc1OC)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1Cc1cccnc1","InChI=1S/C24H22N2O6/c1-14-6-8-18(32-14)22(27)20-21(16-7-9-17(30-2)19(11-16)31-3)26(24(29)23(20)28)13-15-5-4-10-25-12-15/h4-12,20-21H,13H2,1-3H3","DNPKYEGYXICBIC-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13183",12406,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42929","COc1ccc(cc1OC)C1Cc2[nH]c(C(=O)OC(C)C)c(C)c2C(=O)C1","InChI=1S/C21H25NO5/c1-11(2)27-21(24)20-12(3)19-15(22-20)8-14(9-16(19)23)13-6-7-17(25-4)18(10-13)26-5/h6-7,10-11,14,22H,8-9H2,1-5H3","WYLNTSHBWGGSKG-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D13184",3932,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66847","COc1ccc(cc1OC)S(=O)(=O)Nc1c(NC2CCCCC2)c2ccccc2oc1=O","InChI=1S/C23H26N2O6S/c1-29-19-13-12-16(14-20(19)30-2)32(27,28)25-22-21(24-15-8-4-3-5-9-15)17-10-6-7-11-18(17)31-23(22)26/h6-7,10-15,24-25H,3-5,8-9H2,1-2H3","RODZVWWWCFOMSG-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13185",31801,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43598","COc1ccc(cc1OC)S(=O)(=O)Nc1nc2ccccc2s1","InChI=1S/C15H14N2O4S2/c1-20-12-8-7-10(9-13(12)21-2)23(18,19)17-15-16-11-5-3-4-6-14(11)22-15/h3-9H,1-2H3,(H,16,17)","DYYVTKCNHWMKPU-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D13186",4111,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66998","COc1ccc(cc1S(=O)(=O)N1CCCCC1C)C(=O)Nc1ccc(NC(C)=O)cc1","InChI=1S/C22H27N3O5S/c1-15-6-4-5-13-25(15)31(28,29)21-14-17(7-12-20(21)30-3)22(27)24-19-10-8-18(9-11-19)23-16(2)26/h7-12,14-15H,4-6,13H2,1-3H3,(H,23,26)(H,24,27)","JGEINCVVCAMCGY-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13187",4572,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66523","COc1ccc(cc1[N+]([O-])=O)C(=O)Nc1ccc(cc1)S(=O)(=O)NC(C)=O","InChI=1S/C16H15N3O7S/c1-10(20)18-27(24,25)13-6-4-12(5-7-13)17-16(21)11-3-8-15(26-2)14(9-11)19(22)23/h3-9H,1-2H3,(H,17,21)(H,18,20)","NKLMBFFFNOXGSK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13188",3645,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50255342","COc1ccc(cc1[N+]([O-])=O)[C@@H](O)P(O)(=O)CC[C@H](N)C(O)=O","InChI=1S/C12H17N2O8P/c1-22-10-3-2-7(6-9(10)14(18)19)12(17)23(20,21)5-4-8(13)11(15)16/h2-3,6,8,12,17H,4-5,13H2,1H3,(H,15,16)(H,20,21)/t8-,12-/m0/s1","HSHWJQGGJKYMDI-UFBFGSQYSA-N",{"$nulls":3},">100000"]
["D13189",3719,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50255346","COc1ccc(cc1[N+]([O-])=O)[C@H](O)P(O)(=O)CC[C@H](N)C(O)=O","InChI=1S/C12H17N2O8P/c1-22-10-3-2-7(6-9(10)14(18)19)12(17)23(20,21)5-4-8(13)11(15)16/h2-3,6,8,12,17H,4-5,13H2,1H3,(H,15,16)(H,20,21)/t8-,12+/m0/s1","HSHWJQGGJKYMDI-QPUJVOFHSA-N",{"$nulls":3},">100000"]
["D13190",17868,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569849","COc1ccc(cn1)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D13191",14760,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276954","COc1ccc(cn1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)CO)c(c1)C#N","InChI=1S/C26H24N6O4/c1-35-23-5-3-17(13-28-23)21-11-20-25(29-15-30-26(20)31-21)16-2-4-22(18(10-16)12-27)36-19-6-8-32(9-7-19)24(34)14-33/h2-5,10-11,13,15,19,33H,6-9,14H2,1H3,(H,29,30,31)","FTVIWWJJRCVHSZ-UHFFFAOYSA-N",null,5.43,{"$nulls":4},7]
["D13192",16341,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478318","COc1ccc(cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C27H29N7O2/c1-36-25-7-5-21(16-29-25)20-4-6-22-23(15-20)31-27(30-22)32-24-14-18(8-9-28-24)17-33-10-12-34(13-11-33)26(35)19-2-3-19/h4-9,14-16,19H,2-3,10-13,17H2,1H3,(H2,28,30,31,32)","LGNJVLSGBCUEJE-UHFFFAOYSA-N",null,166]
["D13193",16362,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478319","COc1ccc(cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C26H26F3N7O2/c1-38-23-5-3-19(15-31-23)18-2-4-20-21(13-18)33-25(32-20)34-22-12-17(6-7-30-22)16-35-8-10-36(11-9-35)24(37)14-26(27,28)29/h2-7,12-13,15H,8-11,14,16H2,1H3,(H2,30,32,33,34)","MGYZDHRHGYHZDO-UHFFFAOYSA-N",null,190]
["D13194",16997,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478317","COc1ccc(cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C28H33N7O3/c1-28(2,3)38-27(36)35-13-11-34(12-14-35)18-19-9-10-29-24(15-19)33-26-31-22-7-5-20(16-23(22)32-26)21-6-8-25(37-4)30-17-21/h5-10,15-17H,11-14,18H2,1-4H3,(H2,29,31,32,33)","GWURTFMAGZZVMJ-UHFFFAOYSA-N",null,1250]
["D13195",396,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575770","COc1ccc(cn1)-c1ccccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O","InChI=1S/C22H30N3O5P/c1-30-20-9-8-17(14-24-20)19-7-3-2-6-18(19)15-25-12-13-31(28,29)22(16-25,21(26)27)10-4-5-11-23/h2-3,6-9,14H,4-5,10-13,15-16,23H2,1H3,(H,26,27)(H,28,29)/t22-/m0/s1","AVHRAGMQIMFUSI-QFIPXVFZSA-N",null,5]
["D13196",4933,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50523874","COc1ccc(cn1)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-n1cncn1","InChI=1S/C17H11F3N6O3/c1-27-14-5-2-10(7-22-14)15-24-25-16(28-15)12-6-11(29-17(18,19)20)3-4-13(12)26-9-21-8-23-26/h2-9H,1H3","UASTUMWZTCHFKV-UHFFFAOYSA-N",null,">30000"]
["D13197",459,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326379","COc1ccc(nc1)-n1cnc(c1)C1(CC1CCCNC(=O)OC(C)(C)C)C#N","InChI=1S/C21H27N5O3/c1-20(2,3)29-19(27)23-9-5-6-15-10-21(15,13-22)17-12-26(14-25-17)18-8-7-16(28-4)11-24-18/h7-8,11-12,14-15H,5-6,9-10H2,1-4H3,(H,23,27)","QELFMTDIVROIAE-UHFFFAOYSA-N",null,16]
["D13198",3548,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564967","COc1ccc(nc1)-n1ncc2CC(CCc2c1=O)c1ccc(C)cc1C","InChI=1S/C22H23N3O2/c1-14-4-7-19(15(2)10-14)16-5-8-20-17(11-16)12-24-25(22(20)26)21-9-6-18(27-3)13-23-21/h4,6-7,9-10,12-13,16H,5,8,11H2,1-3H3","HNYKWXSUSCYXKC-UHFFFAOYSA-N",null,"<500"]
["D13199",3904,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66824","COc1ccc(nn1)-c1ccc(NS(=O)(=O)c2cc(c(C)c(c2)[N+]([O-])=O)[N+]([O-])=O)cc1","InChI=1S/C18H15N5O7S/c1-11-16(22(24)25)9-14(10-17(11)23(26)27)31(28,29)21-13-5-3-12(4-6-13)15-7-8-18(30-2)20-19-15/h3-10,21H,1-2H3","KMASFUNHMSGLDH-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13200",16577,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478523","COc1ccc(nn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C26H28N8O2/c1-36-24-7-6-20(31-32-24)19-4-5-21-22(15-19)29-26(28-21)30-23-14-17(8-9-27-23)16-33-10-12-34(13-11-33)25(35)18-2-3-18/h4-9,14-15,18H,2-3,10-13,16H2,1H3,(H2,27,28,29,30)","ZJQBOLANGNGTSS-UHFFFAOYSA-N",null,394]
["D13201",4272,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM37302","COc1ccc2-c3onc(C(=O)Nc4cc(C)n(Cc5ccc(Cl)cc5)n4)c3CCc2c1","InChI=1S/C24H21ClN4O3/c1-14-11-21(27-29(14)13-15-3-6-17(25)7-4-15)26-24(30)22-20-9-5-16-12-18(31-2)8-10-19(16)23(20)32-28-22/h3-4,6-8,10-12H,5,9,13H2,1-2H3,(H,26,27,30)","RPMGRWSWGYXZOA-UHFFFAOYSA-N",{"$nulls":3},15000]
["D13202",28743,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50275087","COc1ccc2CCCC(Nc3nc4ccccc4[nH]3)c2c1","InChI=1S/C18H19N3O/c1-22-13-10-9-12-5-4-8-15(14(12)11-13)19-18-20-16-6-2-3-7-17(16)21-18/h2-3,6-7,9-11,15H,4-5,8H2,1H3,(H2,19,20,21)","ZPWNLPDGTDKHGO-UHFFFAOYSA-N",null,null,61]
["D13203",32354,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396717","COc1ccc2CCN(Cc2c1)S(=O)(=O)c1cccc(c1)C(O)=O","InChI=1S/C17H17NO5S/c1-23-15-6-5-12-7-8-18(11-14(12)9-15)24(21,22)16-4-2-3-13(10-16)17(19)20/h2-6,9-10H,7-8,11H2,1H3,(H,19,20)","WJBDINKBVXNGQC-UHFFFAOYSA-N",null,">30000"]
["D13204",32258,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396651","COc1ccc2CN(CCc2c1)S(=O)(=O)c1cccc(c1)C(O)=O","InChI=1S/C17H17NO5S/c1-23-15-6-5-14-11-18(8-7-12(14)9-15)24(21,22)16-4-2-3-13(10-16)17(19)20/h2-6,9-10H,7-8,11H2,1H3,(H,19,20)","QXYNHFCAMSCLRI-UHFFFAOYSA-N",null,">30000"]
["D13205",4222,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM38263","COc1ccc2[nH]c(=O)c(CN(CC3CCCO3)C(=O)Nc3ccccc3)cc2c1","InChI=1S/C23H25N3O4/c1-29-19-9-10-21-16(13-19)12-17(22(27)25-21)14-26(15-20-8-5-11-30-20)23(28)24-18-6-3-2-4-7-18/h2-4,6-7,9-10,12-13,20H,5,8,11,14-15H2,1H3,(H,24,28)(H,25,27)","QUTURFOXOGPOGI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13206",12208,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM48526","COc1ccc2[nH]c(=O)c(CN(CCN3CCCC3)C(=O)Nc3ccccc3Cl)cc2c1","InChI=1S/C24H27ClN4O3/c1-32-19-8-9-21-17(15-19)14-18(23(30)26-21)16-29(13-12-28-10-4-5-11-28)24(31)27-22-7-3-2-6-20(22)25/h2-3,6-9,14-15H,4-5,10-13,16H2,1H3,(H,26,30)(H,27,31)","YNGXAIGJLHEMHY-UHFFFAOYSA-N",null,8705]
["D13207",360,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81907","COc1ccc2[nH]c(=O)c(CN(CCO)C(=S)Nc3ccc(C)cc3)cc2c1","InChI=1S/C21H23N3O3S/c1-14-3-5-17(6-4-14)22-21(28)24(9-10-25)13-16-11-15-12-18(27-2)7-8-19(15)23-20(16)26/h3-8,11-12,25H,9-10,13H2,1-2H3,(H,22,28)(H,23,26)","AXRMMQKZPNXSNV-UHFFFAOYSA-N",22500]
["D13208",13566,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19247080","COc1ccc2[nH]c(=O)c(CN(CCO)C(=S)Nc3ccc(C)cc3)cc2c2","InChI=1S/C21H23N3O3S/c1-14-3-5-17(6-4-14)22-21(28)24(9-10-25)13-16-11-15-12-18(27-2)7-8-19(15)23-20(16)26/h3-8,11-12,25H,9-10,13H2,1-2H3,(H,22,28)(H,23,26)","AXRMMQKZPNXSNV-UHFFFAOYSA-N",-1941.48921610951,-148896.203807802,33584.8969344088,{"$nulls":3},6.73724710584803]
["D13209",4739,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66663","COc1ccc2[nH]c(cc2c1)C(=O)Nc1ccc(F)cc1Br","InChI=1S/C16H12BrFN2O2/c1-22-11-3-5-13-9(6-11)7-15(19-13)16(21)20-14-4-2-10(18)8-12(14)17/h2-8,19H,1H3,(H,20,21)","PGYNXKICBNGAOF-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13210",32154,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50131053","COc1ccc2[nH]c-3c(CCn4c-3nc3ccccc3c4=O)c2c1","InChI=1S/C19H15N3O2/c1-24-11-6-7-16-14(10-11)12-8-9-22-18(17(12)20-16)21-15-5-3-2-4-13(15)19(22)23/h2-7,10,20H,8-9H2,1H3","JNHSRGXMKPJTEV-UHFFFAOYSA-N",{"$nulls":3},"<2.83"]
["D13211",4800,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor","Rattus norvegicus","BDBM50132104","COc1ccc2[nH]c3c(CCN=C3C)c2c1","InChI=1S/C13H14N2O/c1-8-13-10(5-6-14-8)11-7-9(16-2)3-4-12(11)15-13/h3-4,7,15H,5-6H2,1-2H3","HMBHRMFLDKKSCT-UHFFFAOYSA-N",">10000"]
["D13212",4473,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66444","COc1ccc2[nH]c3c([nH]c(=O)n(N=C[C@@H]4C(C)CC(C)=CC4C)c3=O)c2c1","InChI=1S/C21H22N4O3/c1-11-7-12(2)16(13(3)8-11)10-22-25-20(26)19-18(24-21(25)27)15-9-14(28-4)5-6-17(15)23-19/h5-7,9-10,12-13,16H,8H2,1-4H3/t12?,13?,16-/m0/s1","OYQUGMPZUPYTOD-ZUEPYMLJSA-N",{"$nulls":3},15980]
["D13213",17389,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50365215","COc1ccc2[nH]c3c4[nH]c5ccc(OC)cc5c4c4C(=O)NC(=O)c4c3c2c1","InChI=1S/C22H15N3O4/c1-28-9-3-5-13-11(7-9)15-17-18(22(27)25-21(17)26)16-12-8-10(29-2)4-6-14(12)24-20(16)19(15)23-13/h3-8,23-24H,1-2H3,(H,25,26,27)","LGTURXDQKJRHSF-UHFFFAOYSA-N",null,3000]
["D13214",12236,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM34924","COc1ccc2c(C#N)c3ccccn3c2c1","InChI=1S/C14H10N2O/c1-17-10-5-6-11-12(9-15)13-4-2-3-7-16(13)14(11)8-10/h2-8H,1H3","XFTUIYAMZMOGOC-UHFFFAOYSA-N",null,11247]
["D13215",31986,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50103637","COc1ccc2c(C)nc(Nc3nc(C)cc(O)n3)nc2c1","InChI=1S/C15H15N5O2/c1-8-6-13(21)19-14(16-8)20-15-17-9(2)11-5-4-10(22-3)7-12(11)18-15/h4-7H,1-3H3,(H2,16,17,18,19,20,21)","JGBVKLZKXUSJRA-UHFFFAOYSA-N",null,">50000"]
["D13216",4799,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor","Rattus norvegicus","BDBM100152","COc1ccc2c(c1)[nH]c1c(C)nccc21","InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3","BXNJHAXVSOCGBA-UHFFFAOYSA-N",">10000"]
["D13217",4580,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66531","COc1ccc2c(c1)[nH]c1c2[nH]c(=O)n(N=CC2C(C)CC(C)=CC2C)c1=O","InChI=1S/C21H22N4O3/c1-11-7-12(2)16(13(3)8-11)10-22-25-20(26)19-18(24-21(25)27)15-6-5-14(28-4)9-17(15)23-19/h5-7,9-10,12-13,16H,8H2,1-4H3","MEGGADHYXQXRFD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13218",4495,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM55620","COc1ccc2c(cc(=O)oc2c1)-c1cc2ccc(OCc3ccc(F)cc3)cc2oc1=O","InChI=1S/C26H17FO6/c1-30-18-8-9-20-21(13-25(28)32-24(20)11-18)22-10-16-4-7-19(12-23(16)33-26(22)29)31-14-15-2-5-17(27)6-3-15/h2-13H,14H2,1H3","DLKZNFPNXSDUAY-UHFFFAOYSA-N",{"$nulls":3},30100]
["D13219",11937,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43197","COc1ccc2c(cc(SCC(=O)NC(N)=O)nc2c1)-c1ccccc1","InChI=1S/C19H17N3O3S/c1-25-13-7-8-14-15(12-5-3-2-4-6-12)10-18(21-16(14)9-13)26-11-17(23)22-19(20)24/h2-10H,11H2,1H3,(H3,20,22,23,24)","BIZWWWLZQSQWQI-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D13220",17048,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM2621","COc1ccc2c(cn(C)c2c1)C1=C(C(=O)NC1=O)c1cn(C)c2ccccc12","InChI=1S/C23H19N3O3/c1-25-11-16(14-6-4-5-7-18(14)25)20-21(23(28)24-22(20)27)17-12-26(2)19-10-13(29-3)8-9-15(17)19/h4-12H,1-3H3,(H,24,27,28)","JSVMZIMMLIKDPH-UHFFFAOYSA-N",null,1660]
["D13221",4323,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM61049","COc1ccc2cc(C)c3nnc(SCC(=O)Nc4nc(cs4)-c4ccc(F)cc4)n3c2c1","InChI=1S/C23H18FN5O2S2/c1-13-9-15-5-8-17(31-2)10-19(15)29-21(13)27-28-23(29)33-12-20(30)26-22-25-18(11-32-22)14-3-6-16(24)7-4-14/h3-11H,12H2,1-2H3,(H,25,26,30)","NQAXYXKWUOWLNN-UHFFFAOYSA-N",{"$nulls":3},9646]
["D13222",31717,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46397","COc1ccc2cc(ccc2c1)-c1cc(C(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c2ccccc2n1","InChI=1S/C34H28N4O5/c1-21-32(33(40)38(37(21)2)25-9-5-4-6-10-25)36-31(39)20-43-34(41)28-19-30(35-29-12-8-7-11-27(28)29)24-14-13-23-18-26(42-3)16-15-22(23)17-24/h4-19H,20H2,1-3H3,(H,36,39)","ITPCMXJDFRGWKJ-UHFFFAOYSA-N",null,11730]
["D13223",32398,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50339185","COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O","InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1","CMWTZPSULFXXJA-VIFPVBQESA-N",null,">100000"]
["D13224",32220,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM50427629","COc1ccc2n(C(=O)c3ccc(C)cc3)c(C)c(CC(O)=O)c2c1","InChI=1S/C20H19NO4/c1-12-4-6-14(7-5-12)20(24)21-13(2)16(11-19(22)23)17-10-15(25-3)8-9-18(17)21/h4-10H,11H2,1-3H3,(H,22,23)","ASIGZZOVSCNZDW-UHFFFAOYSA-N",null,">100"]
["D13225",32215,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM50427628","COc1ccc2n(C(=O)c3ccc(CCl)cc3)c(C)c(CC(O)=O)c2c1","InChI=1S/C20H18ClNO4/c1-12-16(10-19(23)24)17-9-15(26-2)7-8-18(17)22(12)20(25)14-5-3-13(11-21)4-6-14/h3-9H,10-11H2,1-2H3,(H,23,24)","RRESDMSNRHUMGC-UHFFFAOYSA-N",null," 49.75"]
["D13226",32218,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM50427626","COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NS(=O)(=O)C(F)(F)F)c2c1","InChI=1S/C20H16ClF3N2O5S/c1-11-15(10-18(27)25-32(29,30)20(22,23)24)16-9-14(31-2)7-8-17(16)26(11)19(28)12-3-5-13(21)6-4-12/h3-9H,10H2,1-2H3,(H,25,27)","IXPHIGAYXJJXNY-UHFFFAOYSA-N",null,">100"]
["D13227",32377,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM17638","COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1","InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)","CGIGDMFJXJATDK-UHFFFAOYSA-N",null,54000]
["D13228",32216,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM50427625","COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CCC(O)=O)c2c1","InChI=1S/C20H18ClNO4/c1-12-16(8-10-19(23)24)17-11-15(26-2)7-9-18(17)22(12)20(25)13-3-5-14(21)6-4-13/h3-7,9,11H,8,10H2,1-2H3,(H,23,24)","ZXFPVIQVVULPBC-UHFFFAOYSA-N",null,">100"]
["D13229",32213,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM50427619","COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(CCC(=O)NS(C)(=O)=O)c(C)c2c1","InChI=1S/C21H21ClN2O5S/c1-13-17-12-16(29-2)8-9-19(17)24(21(26)14-4-6-15(22)7-5-14)18(13)10-11-20(25)23-30(3,27)28/h4-9,12H,10-11H2,1-3H3,(H,23,25)","PLYKGAOPLXCEPT-UHFFFAOYSA-N",null," 12.64"]
["D13230",32212,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM50427620","COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(CCC(O)=O)c(C)c2c1","InChI=1S/C20H18ClNO4/c1-12-16-11-15(26-2)7-8-18(16)22(17(12)9-10-19(23)24)20(25)13-3-5-14(21)6-4-13/h3-8,11H,9-10H2,1-2H3,(H,23,24)","NDOLIIHMVOZCMD-UHFFFAOYSA-N",null," 3.51"]
["D13231",32211,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM50427624","COc1ccc2n(C(=O)c3ccc(Cl)cc3)c3CCC(Cc3c2c1)C(O)=O","InChI=1S/C21H18ClNO4/c1-27-15-7-9-19-17(11-15)16-10-13(21(25)26)4-8-18(16)23(19)20(24)12-2-5-14(22)6-3-12/h2-3,5-7,9,11,13H,4,8,10H2,1H3,(H,25,26)","QVDWMUNEMKEXNZ-UHFFFAOYSA-N",null," 3.15"]
["D13232",32217,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM50427627","COc1ccc2n(C(=O)c3ccc(cc3)C(F)(F)F)c(C)c(CC(O)=O)c2c1","InChI=1S/C20H16F3NO4/c1-11-15(10-18(25)26)16-9-14(28-2)7-8-17(16)24(11)19(27)12-3-5-13(6-4-12)20(21,22)23/h3-9H,10H2,1-2H3,(H,25,26)","WSJYANUXYPFGPR-UHFFFAOYSA-N",null,">100"]
["D13233",4478,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66449","COc1ccc2n(CC(=O)Nc3ccc(F)cc3)cc(C(=O)c3ccc(F)cc3)c(=O)c2c1","InChI=1S/C25H18F2N2O4/c1-33-19-10-11-22-20(12-19)25(32)21(24(31)15-2-4-16(26)5-3-15)13-29(22)14-23(30)28-18-8-6-17(27)7-9-18/h2-13H,14H2,1H3,(H,28,30)","LLGXWVCSOAUKJF-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13234",32219,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM50427621","COc1ccc2n(cc(CC(=O)NS(=O)(=O)C(F)(F)F)c2c1)C(=O)c1ccc(Cl)cc1","InChI=1S/C19H14ClF3N2O5S/c1-30-14-6-7-16-15(9-14)12(8-17(26)24-31(28,29)19(21,22)23)10-25(16)18(27)11-2-4-13(20)5-3-11/h2-7,9-10H,8H2,1H3,(H,24,26)","LOPOBSJDASSEKN-UHFFFAOYSA-N",null,">100"]
["D13235",32214,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM50293598","COc1ccc2n(cc(CC(O)=O)c2c1)C(=O)c1ccc(Cl)cc1","InChI=1S/C18H14ClNO4/c1-24-14-6-7-16-15(9-14)12(8-17(21)22)10-20(16)18(23)11-2-4-13(19)5-3-11/h2-7,9-10H,8H2,1H3,(H,21,22)","DHEMTWWLRLOBKI-UHFFFAOYSA-N",null," 48.7"]
["D13236",11899,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43046","COc1ccc2nc(C)cc(SCC(=O)Nc3c(C)cc(C)cc3C)c2c1","InChI=1S/C22H24N2O2S/c1-13-8-14(2)22(15(3)9-13)24-21(25)12-27-20-10-16(4)23-19-7-6-17(26-5)11-18(19)20/h6-11H,12H2,1-5H3,(H,24,25)","JUDXWAZIVAGBFH-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D13237",11940,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43073","COc1ccc2nc(C)cc(SCC(=O)Nc3c(C)cccc3C)c2c1","InChI=1S/C21H22N2O2S/c1-13-6-5-7-14(2)21(13)23-20(24)12-26-19-10-15(3)22-18-9-8-16(25-4)11-17(18)19/h5-11H,12H2,1-4H3,(H,23,24)","PZVMFLARDASJIX-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D13238",31989,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50103648","COc1ccc2nc(Nc3nc(=O)c(Cc4ccccc4)c(C)[nH]3)nc(C)c2c1","InChI=1S/C22H21N5O2/c1-13-17-12-16(29-3)9-10-19(17)25-21(23-13)27-22-24-14(2)18(20(28)26-22)11-15-7-5-4-6-8-15/h4-10,12H,11H2,1-3H3,(H2,23,24,25,26,27,28)","LTEAPKOFAISVQE-UHFFFAOYSA-N",null,50000]
["D13239",31988,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50103747","COc1ccc2nc(Nc3nc(=O)cc(C)[nH]3)nc(C)c2c1","InChI=1S/C15H15N5O2/c1-8-6-13(21)19-14(16-8)20-15-17-9(2)11-7-10(22-3)4-5-12(11)18-15/h4-7H,1-3H3,(H2,16,17,18,19,20,21)","RYOOOLMGSVANCR-UHFFFAOYSA-N",null,">50000"]
["D13240",4539,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66495","COc1ccc2nc(O)c(cc2c1)-c1nnn(n1)-c1ccccc1","InChI=1S/C17H13N5O2/c1-24-13-7-8-15-11(9-13)10-14(17(23)18-15)16-19-21-22(20-16)12-5-3-2-4-6-12/h2-10H,1H3,(H,18,23)","BRQSSRYJDNXMHF-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13241",4386,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66312","COc1ccc2nc(SCC(=O)N3CCN(CC3)c3ccc(F)cc3)c(cc2c1)C#N","InChI=1S/C23H21FN4O2S/c1-30-20-6-7-21-16(13-20)12-17(14-25)23(26-21)31-15-22(29)28-10-8-27(9-11-28)19-4-2-18(24)3-5-19/h2-7,12-13H,8-11,15H2,1H3","RBLHHCSNPJTWTO-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13242",32042,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46340","COc1ccc2nc3n(CC(C)C)nc(NC(=O)c4cccs4)c3cc2c1","InChI=1S/C20H20N4O2S/c1-12(2)11-24-19-15(10-13-9-14(26-3)6-7-16(13)21-19)18(23-24)22-20(25)17-5-4-8-27-17/h4-10,12H,11H2,1-3H3,(H,22,23,25)","GZTSSNCBJRWJOA-UHFFFAOYSA-N",null,">55700"]
["D13243",12055,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM3859","COc1ccc2ncn(-c3ccccc3)c2c1","InChI=1S/C14H12N2O/c1-17-12-7-8-13-14(9-12)16(10-15-13)11-5-3-2-4-6-11/h2-10H,1H3","DBDPQMUWFPDEFP-UHFFFAOYSA-N",null,2991]
["D13244",4044,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66945","COc1ccc2sc(nc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1","InChI=1S/C29H32N4O4S2/c1-31(2)16-6-17-33(29-30-26-19-24(37-3)11-14-27(26)38-29)28(34)22-9-12-25(13-10-22)39(35,36)32-18-15-21-7-4-5-8-23(21)20-32/h4-5,7-14,19H,6,15-18,20H2,1-3H3","WEEXSQLISBEGAL-UHFFFAOYSA-N",{"$nulls":3},29510]
["D13245",11898,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43045","COc1ccc2sc3c(c2c1)c1ccccc1[nH]c3=O","InChI=1S/C16H11NO2S/c1-19-9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)17-16(18)15(14)20-13/h2-8H,1H3,(H,17,18)","PASIMSOPHTYWDR-UHFFFAOYSA-N",{"$nulls":3},11240]
["D13246",12241,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM65618","COc1ccc[c-](C[NH+]=Nc2ccc(cn2)[N+]([O-])=O)c1=O","InChI=1S/C13H11N4O4/c1-21-11-4-2-3-9(13(11)18)7-15-16-12-6-5-10(8-14-12)17(19)20/h2-6,8H,7H2,1H3/q-1/p+1","ZULRJLQBJIJGFX-UHFFFAOYSA-O",null,11688]
["D13247",4490,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM51766","COc1ccc[c-](\\C=[NH+]\\NC(=O)c2cc3cc(ccc3s2)[N+]([O-])=O)c1=O","InChI=1S/C17H12N3O5S/c1-25-13-4-2-3-10(16(13)21)9-18-19-17(22)15-8-11-7-12(20(23)24)5-6-14(11)26-15/h2-9H,1H3,(H,19,22)/q-1/p+1/b18-9+","QFUBSKGGSDCWAR-GIJQJNRQSA-O",{"$nulls":3},">350000"]
["D13248",17953,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569937","COc1cccc(-c2c[nH]c3nccc(Oc4c(F)cc(NC5=NC(C)C(CO)CO5)cc4F)c23)c1C#N",{"$nulls":3},">20000"]
["D13249",17061,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569913","COc1cccc(-c2c[nH]c3nccc(Oc4c(F)cc(NC5=NCC(C)(CO)CO5)cc4F)c23)c1C#N",{"$nulls":3},1900]
["D13250",17896,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569877","COc1cccc(-c2c[nH]c3nccc(Oc4c(F)cc(NC5=NCC(C)(CO)CO5)cc4F)c23)c1F",{"$nulls":3},">20000"]
["D13251",17966,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570040","COc1cccc(-c2c[nH]c3nccc(Oc4c(F)cc(NC5=NCC(F)(CO)CO5)cc4F)c23)c1F",{"$nulls":3},">20000"]
["D13252",3467,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564991","COc1cccc(C2CCc3c(C2)cnn(-c2ccc(CO)cn2)c3=O)c1C","InChI=1S/C22H23N3O3/c1-14-18(4-3-5-20(14)28-2)16-7-8-19-17(10-16)12-24-25(22(19)27)21-9-6-15(13-26)11-23-21/h3-6,9,11-12,16,26H,7-8,10,13H2,1-2H3","ZSPULGBTTFECDM-UHFFFAOYSA-N",null,"<500"]
["D13253",3568,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564990","COc1cccc(C2CCc3c(C2)cnn(-c2ccc(O)cn2)c3=O)c1C","InChI=1S/C21H21N3O3/c1-13-17(4-3-5-19(13)27-2)14-6-8-18-15(10-14)11-23-24(21(18)26)20-9-7-16(25)12-22-20/h3-5,7,9,11-12,14,25H,6,8,10H2,1-2H3","KQOSFDJRYRLNHM-UHFFFAOYSA-N",null,"<500"]
["D13254",3517,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565061","COc1cccc(C2CCc3c(C2)cnn(-c2ccc(cn2)C2CC2)c3=O)c1C","InChI=1S/C24H25N3O2/c1-15-20(4-3-5-22(15)29-2)17-8-10-21-19(12-17)14-26-27(24(21)28)23-11-9-18(13-25-23)16-6-7-16/h3-5,9,11,13-14,16-17H,6-8,10,12H2,1-2H3","NXTQFRHGCRHSFP-UHFFFAOYSA-N",null,"<500"]
["D13255",3519,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565064","COc1cccc(C2CCc3c(C2)cnn(-c2ccc(cn2)N2CCOCC2)c3=O)c1C","InChI=1S/C25H28N4O3/c1-17-21(4-3-5-23(17)31-2)18-6-8-22-19(14-18)15-27-29(25(22)30)24-9-7-20(16-26-24)28-10-12-32-13-11-28/h3-5,7,9,15-16,18H,6,8,10-14H2,1-2H3","DMKIFNAFRFTVHV-UHFFFAOYSA-N",null,"<500"]
["D13256",3487,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565012","COc1cccc(C2CCc3c(C2)cnn(-c2ccccn2)c3=O)c1C","InChI=1S/C21H21N3O2/c1-14-17(6-5-7-19(14)26-2)15-9-10-18-16(12-15)13-23-24(21(18)25)20-8-3-4-11-22-20/h3-8,11,13,15H,9-10,12H2,1-2H3","WIICUVRGVRADPA-UHFFFAOYSA-N",null,"<500"]
["D13257",3469,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564993","COc1cccc(C2CCc3c(C2)cnn(-c2ncc(C)cn2)c3=O)c1C","InChI=1S/C21H22N4O2/c1-13-10-22-21(23-11-13)25-20(26)18-8-7-15(9-16(18)12-24-25)17-5-4-6-19(27-3)14(17)2/h4-6,10-12,15H,7-9H2,1-3H3","AXEFWUDHCXWELG-UHFFFAOYSA-N",null,"<500"]
["D13258",3507,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565045","COc1cccc(C2CCc3c(C2)cnn(-c2ncc(C)cn2)c3=O)c1Cl","InChI=1S/C20H19ClN4O2/c1-12-9-22-20(23-10-12)25-19(26)16-7-6-13(8-14(16)11-24-25)15-4-3-5-17(27-2)18(15)21/h3-5,9-11,13H,6-8H2,1-2H3","URQKFDDRXIGUON-UHFFFAOYSA-N",null,"<500"]
["D13259",3471,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564995","COc1cccc(C2CCc3c(C2)cnn(-c2ncc(Cl)cn2)c3=O)c1C","InChI=1S/C20H19ClN4O2/c1-12-16(4-3-5-18(12)27-2)13-6-7-17-14(8-13)9-24-25(19(17)26)20-22-10-15(21)11-23-20/h3-5,9-11,13H,6-8H2,1-2H3","PCISIKHPYWFRRN-UHFFFAOYSA-N",null,"<500"]
["D13260",3473,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564997","COc1cccc(C2CCc3c(C2)cnn(-c2ncc(O)cn2)c3=O)c1C","InChI=1S/C20H20N4O3/c1-12-16(4-3-5-18(12)27-2)13-6-7-17-14(8-13)9-23-24(19(17)26)20-21-10-15(25)11-22-20/h3-5,9-11,13,25H,6-8H2,1-2H3","DOGOHUHXFXEFIR-UHFFFAOYSA-N",null,"<500"]
["D13261",3525,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565070","COc1cccc(C2CCc3c(C2)cnn(-c2ncc(OCCO)cn2)c3=O)c1C","InChI=1S/C22H24N4O4/c1-14-18(4-3-5-20(14)29-2)15-6-7-19-16(10-15)11-25-26(21(19)28)22-23-12-17(13-24-22)30-9-8-27/h3-5,11-13,15,27H,6-10H2,1-2H3","UHROJYNHYKAONY-UHFFFAOYSA-N",null,"<500"]
["D13262",3528,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565075","COc1cccc(C2CCc3c(C2)cnn(-c2ncc(cn2)C2CC2)c3=O)c1C","InChI=1S/C23H24N4O2/c1-14-19(4-3-5-21(14)29-2)16-8-9-20-17(10-16)13-26-27(22(20)28)23-24-11-18(12-25-23)15-6-7-15/h3-5,11-13,15-16H,6-10H2,1-2H3","DPCFIROWCXHWSQ-UHFFFAOYSA-N",null,"<500"]
["D13263",3616,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565062","COc1cccc(C2CCc3c(C2)cnn(-c2ncc(cn2)N2CCCC2)c3=O)c1C","InChI=1S/C24H27N5O2/c1-16-20(6-5-7-22(16)31-2)17-8-9-21-18(12-17)13-27-29(23(21)30)24-25-14-19(15-26-24)28-10-3-4-11-28/h5-7,13-15,17H,3-4,8-12H2,1-2H3","QKNUXGNKJOVBMV-UHFFFAOYSA-N",null,15500]
["D13264",3518,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565063","COc1cccc(C2CCc3c(C2)cnn(-c2ncc(cn2)N2CCOCC2)c3=O)c1C","InChI=1S/C24H27N5O3/c1-16-20(4-3-5-22(16)31-2)17-6-7-21-18(12-17)13-27-29(23(21)30)24-25-14-19(15-26-24)28-8-10-32-11-9-28/h3-5,13-15,17H,6-12H2,1-2H3","NXYGPQPMCFHZPV-UHFFFAOYSA-N",null,"<500"]
["D13265",3474,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564998","COc1cccc(C2CCc3c(C2)cnn(-c2nccc(n2)N2CCOCC2)c3=O)c1C","InChI=1S/C24H27N5O3/c1-16-19(4-3-5-21(16)31-2)17-6-7-20-18(14-17)15-26-29(23(20)30)24-25-9-8-22(27-24)28-10-12-32-13-11-28/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3","VCQKGHWCTODIJY-UHFFFAOYSA-N",null,"<500"]
["D13266",3468,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564992","COc1cccc(C2CCc3c(C2)cnn(-c2ncccn2)c3=O)c1C","InChI=1S/C20H20N4O2/c1-13-16(5-3-6-18(13)26-2)14-7-8-17-15(11-14)12-23-24(19(17)25)20-21-9-4-10-22-20/h3-6,9-10,12,14H,7-8,11H2,1-2H3","FHYQTVFZQXWTFY-UHFFFAOYSA-N",null,"<500"]
["D13267",3491,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565023","COc1cccc(C2CCc3c(C2)cnn(-c2ncccn2)c3=O)c1Cl","InChI=1S/C19H17ClN4O2/c1-26-16-5-2-4-14(17(16)20)12-6-7-15-13(10-12)11-23-24(18(15)25)19-21-8-3-9-22-19/h2-5,8-9,11-12H,6-7,10H2,1H3","WSDSPURRMVAGFT-UHFFFAOYSA-N",null,"<500"]
["D13268",3497,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565030","COc1cccc(C2CCc3c(C2)cnn(-c2ncccn2)c3=O)c1F","InChI=1S/C19H17FN4O2/c1-26-16-5-2-4-14(17(16)20)12-6-7-15-13(10-12)11-23-24(18(15)25)19-21-8-3-9-22-19/h2-5,8-9,11-12H,6-7,10H2,1H3","BJUZZLXUXCBXLB-UHFFFAOYSA-N",null,"<500"]
["D13269",12139,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM64618","COc1cccc(C=NNC(=O)C(=O)Nc2ccccc2OC(F)(F)C(F)F)c1O","InChI=1S/C18H15F4N3O5/c1-29-13-8-4-5-10(14(13)26)9-23-25-16(28)15(27)24-11-6-2-3-7-12(11)30-18(21,22)17(19)20/h2-9,17,26H,1H3,(H,24,27)(H,25,28)","SPYQUUZBXVDPJN-UHFFFAOYSA-N",null,5650]
["D13270",12101,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM45127","COc1cccc(C=NNC(=O)CNC(=O)C2COc3ccccc3O2)c1O","InChI=1S/C19H19N3O6/c1-26-15-8-4-5-12(18(15)24)9-21-22-17(23)10-20-19(25)16-11-27-13-6-2-3-7-14(13)28-16/h2-9,16,24H,10-11H2,1H3,(H,20,25)(H,22,23)","CMNLICIZQKESAI-UHFFFAOYSA-N",null,4313]
["D13271",11905,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43051","COc1cccc(C=NNC(=O)c2csc(n2)-n2nc(C)cc2C(F)(F)F)c1","InChI=1S/C17H14F3N5O2S/c1-10-6-14(17(18,19)20)25(24-10)16-22-13(9-28-16)15(26)23-21-8-11-4-3-5-12(7-11)27-2/h3-9H,1-2H3,(H,23,26)","OQUPXMMXORDSBV-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D13272",11861,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43012","COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccccc3)c2=O)c1","InChI=1S/C24H21N3O4S/c1-30-19-9-5-6-17(14-19)15-21-23(29)27(18-7-3-2-4-8-18)24(32-21)20(16-25)22(28)26-10-12-31-13-11-26/h2-9,14-15H,10-13H2,1H3","VXDPKWWTKCHLHG-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D13273",32346,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396713","COc1cccc(CCNS(=O)(=O)c2cccc(c2)C(O)=O)c1","InChI=1S/C16H17NO5S/c1-22-14-6-2-4-12(10-14)8-9-17-23(20,21)15-7-3-5-13(11-15)16(18)19/h2-7,10-11,17H,8-9H2,1H3,(H,18,19)","LWAKDGJIPHDSSN-UHFFFAOYSA-N",null,">30000"]
["D13274",3959,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66866","COc1cccc(CN(CC(=O)NC2CCCC2)C(=O)c2csnn2)c1","InChI=1S/C18H22N4O3S/c1-25-15-8-4-5-13(9-15)10-22(18(24)16-12-26-21-20-16)11-17(23)19-14-6-2-3-7-14/h4-5,8-9,12,14H,2-3,6-7,10-11H2,1H3,(H,19,23)","BJWFEQFANXFMDC-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13275",12095,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM65144","COc1cccc(CN=Nc2cc(ncn2)-n2nc(C)cc2-c2ccccc2)c1O","InChI=1S/C22H20N6O2/c1-15-11-18(16-7-4-3-5-8-16)28(27-15)21-12-20(23-14-24-21)26-25-13-17-9-6-10-19(30-2)22(17)29/h3-12,14,29H,13H2,1-2H3","FPFLBRPNKRMIRY-UHFFFAOYSA-N",null,4116]
["D13276",3955,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66862","COc1cccc(CNC(=O)CN2C(=O)COc3ccc(cc23)S(=O)(=O)N2CCCCCC2)c1","InChI=1S/C24H29N3O6S/c1-32-19-8-6-7-18(13-19)15-25-23(28)16-27-21-14-20(9-10-22(21)33-17-24(27)29)34(30,31)26-11-4-2-3-5-12-26/h6-10,13-14H,2-5,11-12,15-17H2,1H3,(H,25,28)","UVSQDCPEYYLOAR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13277",12273,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87354","COc1cccc(CNc2ncnc3ccc(cc23)-c2c(C)noc2C)c1","InChI=1S/C21H20N4O2/c1-13-20(14(2)27-25-13)16-7-8-19-18(10-16)21(24-12-23-19)22-11-15-5-4-6-17(9-15)26-3/h4-10,12H,11H2,1-3H3,(H,22,23,24)","LKLZFZUCOQKQKM-UHFFFAOYSA-N",null,20149]
["D13278",32402,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50024763","COc1cccc(COc2cc(\\C=C\\C(O)=O)ccc2OC(=O)CCc2ccccc2)c1","InChI=1S/C26H24O6/c1-30-22-9-5-8-21(16-22)18-31-24-17-20(11-14-25(27)28)10-13-23(24)32-26(29)15-12-19-6-3-2-4-7-19/h2-11,13-14,16-17H,12,15,18H2,1H3,(H,27,28)/b14-11+","PTJSVHPDGOPKFB-SDNWHVSQSA-N",null,">100000"]
["D13279",12224,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM47479","COc1cccc(F)c1C(C[N+]([O-])=O)c1c(N)n(C)c(=O)n(C)c1=O","InChI=1S/C15H17FN4O5/c1-18-13(17)12(14(21)19(2)15(18)22)8(7-20(23)24)11-9(16)5-4-6-10(11)25-3/h4-6,8H,7,17H2,1-3H3","DQAXUFHBWMQUGP-UHFFFAOYSA-N",null,10296]
["D13280",31847,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67108","COc1cccc(NC(=O)C(N2CCN(CC2)S(=O)(=O)c2ccc(C)cc2)c2ccccc2)c1","InChI=1S/C26H29N3O4S/c1-20-11-13-24(14-12-20)34(31,32)29-17-15-28(16-18-29)25(21-7-4-3-5-8-21)26(30)27-22-9-6-10-23(19-22)33-2/h3-14,19,25H,15-18H2,1-2H3,(H,27,30)","RIGLZQIRKGYSGQ-UHFFFAOYSA-N",null,25643]
["D13281",12269,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM6853","COc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)cc2[N+]([O-])=O)c1","InChI=1S/C18H19ClN4O5/c1-22(10-17(24)20-13-4-3-5-14(9-13)28-2)11-18(25)21-15-7-6-12(19)8-16(15)23(26)27/h3-9H,10-11H2,1-2H3,(H,20,24)(H,21,25)","SRMHGVYGCJOUJG-UHFFFAOYSA-N",null,17785]
["D13282",12300,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM38933","COc1cccc(NC(=O)CSc2nnc(o2)-c2cc(C)n(c2C)-c2ccccc2)c1","InChI=1S/C23H22N4O3S/c1-15-12-20(16(2)27(15)18-9-5-4-6-10-18)22-25-26-23(30-22)31-14-21(28)24-17-8-7-11-19(13-17)29-3/h4-13H,14H2,1-3H3,(H,24,28)","YMUQXVXRPYOASK-UHFFFAOYSA-N",null,">35864"]
["D13283",31870,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM20279","COc1cccc(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(=O)c2ccc(cc2)C#N)c1","InChI=1S/C30H33N4O8P/c1-19(2)15-26(29(36)32-23-5-4-6-25(17-23)41-3)34-30(37)27(33-28(35)22-11-7-21(18-31)8-12-22)16-20-9-13-24(14-10-20)42-43(38,39)40/h4-14,17,19,26-27H,15-16H2,1-3H3,(H,32,36)(H,33,35)(H,34,37)(H2,38,39,40)/t26-,27-/m0/s1","SMJGQTJUQHWTMM-SVBPBHIXSA-N",null,31000]
["D13284",11959,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43092","COc1cccc(NC(=S)NC(=O)c2c(Cl)c(C)nn2C)c1","InChI=1S/C14H15ClN4O2S/c1-8-11(15)12(19(2)18-8)13(20)17-14(22)16-9-5-4-6-10(7-9)21-3/h4-7H,1-3H3,(H2,16,17,20,22)","NXZFDXOORDLROU-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D13285",14812,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277856","COc1cccc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1","InChI=1S/C22H21N5O3/c1-28-19-4-2-3-17(12-19)26-22-25-14-24-21(27-22)15-5-6-20(16(11-15)13-23)30-18-7-9-29-10-8-18/h2-6,11-12,14,18H,7-10H2,1H3,(H,24,25,26,27)","KSGXLLJPSWRACC-UHFFFAOYSA-N",null,6]
["D13286",3535,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565084","COc1cccc([C@@H]2CCc3c(C2)cnn(-c2ncc(C)cn2)c3=O)c1Cl","InChI=1S/C20H19ClN4O2/c1-12-9-22-20(23-10-12)25-19(26)16-7-6-13(8-14(16)11-24-25)15-4-3-5-17(27-2)18(15)21/h3-5,9-11,13H,6-8H2,1-2H3/t13-/m1/s1","URQKFDDRXIGUON-CYBMUJFWSA-N",null,"<500"]
["D13287",3585,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565085","COc1cccc([C@H]2CCc3c(C2)cnn(-c2ncc(C)cn2)c3=O)c1Cl","InChI=1S/C20H19ClN4O2/c1-12-9-22-20(23-10-12)25-19(26)16-7-6-13(8-14(16)11-24-25)15-4-3-5-17(27-2)18(15)21/h3-5,9-11,13H,6-8H2,1-2H3/t13-/m0/s1","URQKFDDRXIGUON-ZDUSSCGKSA-N",null,750]
["D13288",5035,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50283492","COc1cccc(c1)-c1c(C)nn2c(cc(C)nc12)C(F)(F)F","InChI=1S/C16H14F3N3O/c1-9-7-13(16(17,18)19)22-15(20-9)14(10(2)21-22)11-5-4-6-12(8-11)23-3/h4-8H,1-3H3","FDCLRXRYBWOALV-UHFFFAOYSA-N",{"$nulls":3},">10000"]
["D13289",18024,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570009","COc1cccc(c1)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D13290",4401,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66323","COc1cccc(c1)-c1cc(O)c2cc(NC(=O)c3ccc(cc3)N(C)C)ccc2n1","InChI=1S/C25H23N3O3/c1-28(2)19-10-7-16(8-11-19)25(30)26-18-9-12-22-21(14-18)24(29)15-23(27-22)17-5-4-6-20(13-17)31-3/h4-15H,1-3H3,(H,26,30)(H,27,29)","NGOHFZIFIFSACZ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13291",4644,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66586","COc1cccc(c1)-c1cc(c(C#N)c(=O)[nH]1)C(F)(F)F","InChI=1S/C14H9F3N2O2/c1-21-9-4-2-3-8(5-9)12-6-11(14(15,16)17)10(7-18)13(20)19-12/h2-6H,1H3,(H,19,20)","XNTJLUGWDJJUFQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13292",31830,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46344","COc1cccc(c1)-c1cc(no1)C(=O)Nc1cccc(O)c1","InChI=1S/C17H14N2O4/c1-22-14-7-2-4-11(8-14)16-10-15(19-23-16)17(21)18-12-5-3-6-13(20)9-12/h2-10,20H,1H3,(H,18,21)","NLCURIHWDCRJLW-UHFFFAOYSA-N",null,18260]
["D13293",31812,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67136","COc1cccc(c1)-c1csc(Cn2c(CN3CCOCC3)nc3ccccc3c2=O)n1","InChI=1S/C24H24N4O3S/c1-30-18-6-4-5-17(13-18)21-16-32-23(26-21)15-28-22(14-27-9-11-31-12-10-27)25-20-8-3-2-7-19(20)24(28)29/h2-8,13,16H,9-12,14-15H2,1H3","SLCODFSAKJUDQL-UHFFFAOYSA-N",null,13622]
["D13294",11784,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM36921","COc1cccc(c1)-c1nnc2sc(nn12)C1CCCCC1","InChI=1S/C16H18N4OS/c1-21-13-9-5-8-12(10-13)14-17-18-16-20(14)19-15(22-16)11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3","DRHISYLJSSOZKF-UHFFFAOYSA-N",null,1726]
["D13295",4801,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50305863","COc1cccc(c1)-c1noc2cc(-c3ccccc3)n(C)c(=O)c12","InChI=1S/C20H16N2O3/c1-22-16(13-7-4-3-5-8-13)12-17-18(20(22)23)19(21-25-17)14-9-6-10-15(11-14)24-2/h3-12H,1-2H3","ZWROSNGJNLMLTH-UHFFFAOYSA-N",null,12]
["D13296",4411,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM43209","COc1cccc(c1)-n1nnnc1S(C)(=O)=O","InChI=1S/C9H10N4O3S/c1-16-8-5-3-4-7(6-8)13-9(10-11-12-13)17(2,14)15/h3-6H,1-2H3","XIPRBTBTNIAVMG-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13297",4728,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66653","COc1cccc(c1)C(=O)C(C#N)=C(SC)SC","InChI=1S/C13H13NO2S2/c1-16-10-6-4-5-9(7-10)12(15)11(8-14)13(17-2)18-3/h4-7H,1-3H3","FDWJVAMEZPQFCN-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13298",4463,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66434","COc1cccc(c1)C(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2cccs2)c(OC)c1","InChI=1S/C23H21N3O6S/c1-30-17-6-3-5-16(12-17)22(28)24-14-21(27)26-25-13-15-8-9-18(19(11-15)31-2)32-23(29)20-7-4-10-33-20/h3-13H,14H2,1-2H3,(H,24,28)(H,26,27)","PLNQMSIQYKWGJI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13299",3604,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50244219","COc1cccc(c1)C(=O)N[C@H]1C[C@](N)([C@H]2[C@@H]1[C@@H]2C(O)=O)C(O)=O","InChI=1S/C16H18N2O6/c1-24-8-4-2-3-7(5-8)13(19)18-9-6-16(17,15(22)23)12-10(9)11(12)14(20)21/h2-5,9-12H,6,17H2,1H3,(H,18,19)(H,20,21)(H,22,23)/t9-,10-,11-,12-,16-/m0/s1","UXNRHIJPZNNDDJ-VZAVHYRXSA-N",null,">12500"]
["D13300",3583,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564955","COc1cccc(c1)C1CCc2c(C1)cnn(-c1ccccn1)c2=O","InChI=1S/C20H19N3O2/c1-25-17-6-4-5-14(12-17)15-8-9-18-16(11-15)13-22-23(20(18)24)19-7-2-3-10-21-19/h2-7,10,12-13,15H,8-9,11H2,1H3","XWGIYRFGUNPREN-UHFFFAOYSA-N",null,750]
["D13301",31754,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43558","COc1cccc(c1O)-c1nc(N2CCCCC2C)c2ccccc2n1","InChI=1S/C21H23N3O2/c1-14-8-5-6-13-24(14)21-15-9-3-4-11-17(15)22-20(23-21)16-10-7-12-18(26-2)19(16)25/h3-4,7,9-12,14,25H,5-6,8,13H2,1-2H3","WNPXRNJEBMRJGV-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D13302",3547,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564966","COc1cccc(n1)-n1ncc2CC(CCc2c1=O)c1ccc(C)cc1C","InChI=1S/C22H23N3O2/c1-14-7-9-18(15(2)11-14)16-8-10-19-17(12-16)13-23-25(22(19)26)20-5-4-6-21(24-20)27-3/h4-7,9,11,13,16H,8,10,12H2,1-3H3","FDJGAFPNVIOUHC-UHFFFAOYSA-N",null,"<500"]
["D13303",32266,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396656","COc1cccc2CN(CCc12)S(=O)(=O)c1cccc(c1)C(O)=O","InChI=1S/C17H17NO5S/c1-23-16-7-3-5-13-11-18(9-8-15(13)16)24(21,22)14-6-2-4-12(10-14)17(19)20/h2-7,10H,8-9,11H2,1H3,(H,19,20)","ORSYJEKDECAYQC-UHFFFAOYSA-N",null,">30000"]
["D13304",5080,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50547324","COc1cccc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N","InChI=1S/C21H19FN4O/c1-27-19-8-4-5-16-20(19)24-14-15(13-23)21(16)26-11-9-25(10-12-26)18-7-3-2-6-17(18)22/h2-8,14H,9-12H2,1H3","IVIYDHTVCLPJQV-UHFFFAOYSA-N",{"$nulls":3},1100]
["D13305",11855,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43007","COc1cccc2s\\c(=N/C(=O)c3ccc(Cl)s3)n(CC#C)c12","InChI=1S/C16H11ClN2O2S2/c1-3-9-19-14-10(21-2)5-4-6-11(14)23-16(19)18-15(20)12-7-8-13(17)22-12/h1,4-8H,9H2,2H3/b18-16-","QLSLKIKHHYNILC-VLGSPTGOSA-N",{"$nulls":3},21550]
["D13306",32164,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM40201","COc1cccc2sc(Nc3nnc(o3)-c3ccc(F)cc3)nc12","InChI=1S/C16H11FN4O2S/c1-22-11-3-2-4-12-13(11)18-16(24-12)19-15-21-20-14(23-15)9-5-7-10(17)8-6-9/h2-8H,1H3,(H,18,19,21)","TUNSTYGNRZSNSX-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D13307",12408,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42931","COc1cccc2sc(nc12)N1CCN(CC1)c1nc2ccccc2s1","InChI=1S/C19H18N4OS2/c1-24-14-6-4-8-16-17(14)21-19(26-16)23-11-9-22(10-12-23)18-20-13-5-2-3-7-15(13)25-18/h2-8H,9-12H2,1H3","RPIKGMMXQXBQBM-UHFFFAOYSA-N",{"$nulls":3},22930]
["D13308",5026,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50283486","COc1ccccc1-c1c(C)nn2c(cc(C)nc12)C(F)(F)F","InChI=1S/C16H14F3N3O/c1-9-8-13(16(17,18)19)22-15(20-9)14(10(2)21-22)11-6-4-5-7-12(11)23-3/h4-8H,1-3H3","PUDSKOWMVKQSLY-UHFFFAOYSA-N",{"$nulls":3},">10000"]
["D13309",18023,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570008","COc1ccccc1-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D13310",4687,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66620","COc1ccccc1-c1c[nH]nc1-c1ccc(OCc2ccccc2)cc1O","InChI=1S/C23H20N2O3/c1-27-22-10-6-5-9-18(22)20-14-24-25-23(20)19-12-11-17(13-21(19)26)28-15-16-7-3-2-4-8-16/h2-14,26H,15H2,1H3,(H,24,25)","IZLOUSRSKHUMQL-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13311",4352,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM43507","COc1ccccc1-c1cc(nc(n1)S(=O)(=O)CCCC(=O)N1CCOCC1)C(F)(F)F","InChI=1S/C20H22F3N3O5S/c1-30-16-6-3-2-5-14(16)15-13-17(20(21,22)23)25-19(24-15)32(28,29)12-4-7-18(27)26-8-10-31-11-9-26/h2-3,5-6,13H,4,7-12H2,1H3","LEOXTJRUFANINQ-UHFFFAOYSA-N",{"$nulls":3},28750]
["D13312",4262,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM39102","COc1ccccc1-c1cc(nc(n1)S(=O)(=O)CCCC(=O)NC(C)C)C(F)(F)F","InChI=1S/C19H22F3N3O4S/c1-12(2)23-17(26)9-6-10-30(27,28)18-24-14(11-16(25-18)19(20,21)22)13-7-4-5-8-15(13)29-3/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,23,26)","VGXHWOGTLVRELN-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13313",31836,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43454","COc1ccccc1-c1cc(nc(n1)S(=O)(=O)CCCC(=O)Nc1cccnc1Cl)C(F)(F)F","InChI=1S/C21H18ClF3N4O4S/c1-33-16-8-3-2-6-13(16)15-12-17(21(23,24)25)29-20(28-15)34(31,32)11-5-9-18(30)27-14-7-4-10-26-19(14)22/h2-4,6-8,10,12H,5,9,11H2,1H3,(H,27,30)","RGEBHFBBSLVSRR-UHFFFAOYSA-N",null,">18600"]
["D13314",31837,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43509","COc1ccccc1-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F","InChI=1S/C13H11F3N2O3S/c1-21-10-6-4-3-5-8(10)9-7-11(13(14,15)16)18-12(17-9)22(2,19)20/h3-7H,1-2H3","MABPZKJJTICMDB-UHFFFAOYSA-N",null,">18600"]
["D13315",15654,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379366","COc1ccccc1-c1nc2ncc(Br)c(NCC(O)CNC(=O)C3CCC3)c2[nH]1","InChI=1S/C21H24BrN5O3/c1-30-16-8-3-2-7-14(16)19-26-18-17(15(22)11-24-20(18)27-19)23-9-13(28)10-25-21(29)12-5-4-6-12/h2-3,7-8,11-13,28H,4-6,9-10H2,1H3,(H,25,29)(H2,23,24,26,27)","QKAVQJBBCRMGMX-UHFFFAOYSA-N",null,32]
["D13316",31783,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43581","COc1ccccc1-c1nnc(SCC(=O)NC2CCCCC2)o1","InChI=1S/C17H21N3O3S/c1-22-14-10-6-5-9-13(14)16-19-20-17(23-16)24-11-15(21)18-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,18,21)","MKLADHJBTFAUQJ-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D13317",4803,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50305864","COc1ccccc1-c1noc2cc(-c3ccccc3)n(C)c(=O)c12","InChI=1S/C20H16N2O3/c1-22-15(13-8-4-3-5-9-13)12-17-18(20(22)23)19(21-25-17)14-10-6-7-11-16(14)24-2/h3-12H,1-2H3","TXQAGCNICLXMCM-UHFFFAOYSA-N",null,21]
["D13318",25832,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246346","COc1ccccc1-n1nc(OC2CC(C)(C)C(=O)C(C)(C)C2)cc1-c1ccc(Cl)cc1","InChI=1S/C26H29ClN2O3/c1-25(2)15-19(16-26(3,4)24(25)30)32-23-14-21(17-10-12-18(27)13-11-17)29(28-23)20-8-6-7-9-22(20)31-5/h6-14,19H,15-16H2,1-5H3","OSYITGFTDTWGJW-UHFFFAOYSA-N",null,9.7]
["D13319",25854,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246347","COc1ccccc1-n1nc(OC2CC(C)(C)C(O)C(C)(C)C2)cc1-c1ccc(Cl)cc1","InChI=1S/C26H31ClN2O3/c1-25(2)15-19(16-26(3,4)24(25)30)32-23-14-21(17-10-12-18(27)13-11-17)29(28-23)20-8-6-7-9-22(20)31-5/h6-14,19,24,30H,15-16H2,1-5H3","UMDPFCNSBNGNBU-UHFFFAOYSA-N",null,39]
["D13320",25828,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246329","COc1ccccc1-n1nc(OC2CC(C)(C)OC(C)(C)C2)cc1-c1ccc(Cl)cc1","InChI=1S/C25H29ClN2O3/c1-24(2)15-19(16-25(3,4)31-24)30-23-14-21(17-10-12-18(26)13-11-17)28(27-23)20-8-6-7-9-22(20)29-5/h6-14,19H,15-16H2,1-5H3","DAMJJTRLEZYXQM-UHFFFAOYSA-N",null,7.6]
["D13321",25826,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246348","COc1ccccc1-n1nc(OC2CC(C)(C)OC(C)(C)C2)cc1-c1ccc(cc1)C#N","InChI=1S/C26H29N3O3/c1-25(2)15-20(16-26(3,4)32-25)31-24-14-22(19-12-10-18(17-27)11-13-19)29(28-24)21-8-6-7-9-23(21)30-5/h6-14,20H,15-16H2,1-5H3","AJCGCPQKWYQPNQ-UHFFFAOYSA-N",null,7.2]
["D13322",25815,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246342","COc1ccccc1-n1nc(OC2CC(C)(C)S(=O)(=O)C(C)(C)C2)cc1-c1ccc(Cl)cc1","InChI=1S/C25H29ClN2O4S/c1-24(2)15-19(16-25(3,4)33(24,29)30)32-23-14-21(17-10-12-18(26)13-11-17)28(27-23)20-8-6-7-9-22(20)31-5/h6-14,19H,15-16H2,1-5H3","TWUDJPWCVJDVTM-UHFFFAOYSA-N",null,1.9]
["D13323",25817,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246350","COc1ccccc1-n1nc(OC2CC(C)(C)S(=O)(=O)C(C)(C)C2)cc1-c1ccc(cc1)C#N","InChI=1S/C26H29N3O4S/c1-25(2)15-20(16-26(3,4)34(25,30)31)33-24-14-22(19-12-10-18(17-27)11-13-19)29(28-24)21-8-6-7-9-23(21)32-5/h6-14,20H,15-16H2,1-5H3","LQNBSHGSEOTYDZ-UHFFFAOYSA-N",null,2.4]
["D13324",25823,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246341","COc1ccccc1-n1nc(OC2CC(C)(C)SC(C)(C)C2)cc1-c1ccc(Cl)cc1","InChI=1S/C25H29ClN2O2S/c1-24(2)15-19(16-25(3,4)31-24)30-23-14-21(17-10-12-18(26)13-11-17)28(27-23)20-8-6-7-9-22(20)29-5/h6-14,19H,15-16H2,1-5H3","FRGPFJVINLDQIJ-UHFFFAOYSA-N",null,5.9]
["D13325",25834,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246349","COc1ccccc1-n1nc(OC2CC(C)(C)SC(C)(C)C2)cc1-c1ccc(cc1)C#N","InChI=1S/C26H29N3O2S/c1-25(2)15-20(16-26(3,4)32-25)31-24-14-22(19-12-10-18(17-27)11-13-19)29(28-24)21-8-6-7-9-23(21)30-5/h6-14,20H,15-16H2,1-5H3","SRGBARMXFGWMTF-UHFFFAOYSA-N",null,12]
["D13326",25814,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246344","COc1ccccc1-n1nc(OC2CC(C)(C)[S@+]([O-])C(C)(C)C2)cc1-c1ccc(Cl)cc1","InChI=1S/C25H29ClN2O3S/c1-24(2)15-19(16-25(3,4)32(24)29)31-23-14-21(17-10-12-18(26)13-11-17)28(27-23)20-8-6-7-9-22(20)30-5/h6-14,19H,15-16H2,1-5H3/t19?,32-","CQCHOVDIAHVBMQ-ZPKIESPOSA-N",null,1.5]
["D13327",25837,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246351","COc1ccccc1-n1nc(OC2CC(C)(C)[S@+]([O-])C(C)(C)C2)cc1-c1ccc(cc1)C#N","InChI=1S/C26H29N3O3S/c1-25(2)15-20(16-26(3,4)33(25)30)32-24-14-22(19-12-10-18(17-27)11-13-19)29(28-24)21-8-6-7-9-23(21)31-5/h6-14,20H,15-16H2,1-5H3/t20?,33-","ZMYGBEMRHGJETO-DWWHJWNJSA-N",null,14]
["D13328",25846,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246308","COc1ccccc1-n1nc(OC2CCC(=O)CC2)cc1-c1ccc(Cl)cc1","InChI=1S/C22H21ClN2O3/c1-27-21-5-3-2-4-19(21)25-20(15-6-8-16(23)9-7-15)14-22(24-25)28-18-12-10-17(26)11-13-18/h2-9,14,18H,10-13H2,1H3","BVNRYPXFJUABAB-UHFFFAOYSA-N",null,28]
["D13329",25855,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246322","COc1ccccc1-n1nc(OC2CCC(F)(F)CC2)cc1-c1ccc(Cl)cc1","InChI=1S/C22H21ClF2N2O2/c1-28-20-5-3-2-4-18(20)27-19(15-6-8-16(23)9-7-15)14-21(26-27)29-17-10-12-22(24,25)13-11-17/h2-9,14,17H,10-13H2,1H3","QWTOYMMBYIZUDZ-UHFFFAOYSA-N",null,41]
["D13330",25849,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246314","COc1ccccc1-n1nc(OC2CCN(CC(F)(F)F)CC2)cc1-c1ccc(Cl)cc1","InChI=1S/C23H23ClF3N3O2/c1-31-21-5-3-2-4-19(21)30-20(16-6-8-17(24)9-7-16)14-22(28-30)32-18-10-12-29(13-11-18)15-23(25,26)27/h2-9,14,18H,10-13,15H2,1H3","MVUOEDQURQKALH-UHFFFAOYSA-N",null,31]
["D13331",25851,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246315","COc1ccccc1-n1nc(OC2CCN(CC2)C(=O)C(F)(F)F)cc1-c1ccc(Cl)cc1","InChI=1S/C23H21ClF3N3O3/c1-32-20-5-3-2-4-18(20)30-19(15-6-8-16(24)9-7-15)14-21(28-30)33-17-10-12-29(13-11-17)22(31)23(25,26)27/h2-9,14,17H,10-13H2,1H3","IXSXSOMMKYUETH-UHFFFAOYSA-N",null,31.4]
["D13332",25836,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246310","COc1ccccc1-n1nc(OC2CCN(CC2)C(=O)N(C)C)cc1-c1ccc(Cl)cc1","InChI=1S/C24H27ClN4O3/c1-27(2)24(30)28-14-12-19(13-15-28)32-23-16-21(17-8-10-18(25)11-9-17)29(26-23)20-6-4-5-7-22(20)31-3/h4-11,16,19H,12-15H2,1-3H3","CNCRGRBWUATVCP-UHFFFAOYSA-N",null,14]
["D13333",25848,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246307","COc1ccccc1-n1nc(OC2CCN(CC2)C(=O)OC(C)(C)C)cc1-c1ccc(Cl)cc1","InChI=1S/C26H30ClN3O4/c1-26(2,3)34-25(31)29-15-13-20(14-16-29)33-24-17-22(18-9-11-19(27)12-10-18)30(28-24)21-7-5-6-8-23(21)32-4/h5-12,17,20H,13-16H2,1-4H3","NRQIYYZXZYUWFB-UHFFFAOYSA-N",null,30]
["D13334",25844,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246309","COc1ccccc1-n1nc(OC2CCN(CC2)C(C)=O)cc1-c1ccc(Cl)cc1","InChI=1S/C23H24ClN3O3/c1-16(28)26-13-11-19(12-14-26)30-23-15-21(17-7-9-18(24)10-8-17)27(25-23)20-5-3-4-6-22(20)29-2/h3-10,15,19H,11-14H2,1-2H3","BDMBSHGVIWYMFZ-UHFFFAOYSA-N",null,26]
["D13335",25852,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246327","COc1ccccc1-n1nc(OC2CCN(CC2)S(=O)(=O)C(C)C)cc1-c1ccc(Cl)cc1","InChI=1S/C24H28ClN3O4S/c1-17(2)33(29,30)27-14-12-20(13-15-27)32-24-16-22(18-8-10-19(25)11-9-18)28(26-24)21-6-4-5-7-23(21)31-3/h4-11,16-17,20H,12-15H2,1-3H3","QRGMHEOPAKSEPT-UHFFFAOYSA-N",null,36]
["D13336",25843,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246320","COc1ccccc1-n1nc(OC2CCN(CC2)S(=O)(=O)C(F)(F)F)cc1-c1ccc(Cl)cc1","InChI=1S/C22H21ClF3N3O4S/c1-32-20-5-3-2-4-18(20)29-19(15-6-8-16(23)9-7-15)14-21(27-29)33-17-10-12-28(13-11-17)34(30,31)22(24,25)26/h2-9,14,17H,10-13H2,1H3","ZTNBOUBFOFURTR-UHFFFAOYSA-N",null,24]
["D13337",25830,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246321","COc1ccccc1-n1nc(OC2CCN(CC2)S(=O)(=O)C2CC2)cc1-c1ccc(Cl)cc1","InChI=1S/C24H26ClN3O4S/c1-31-23-5-3-2-4-21(23)28-22(17-6-8-18(25)9-7-17)16-24(26-28)32-19-12-14-27(15-13-19)33(29,30)20-10-11-20/h2-9,16,19-20H,10-15H2,1H3","OXIUFIQCDNTAED-UHFFFAOYSA-N",null,9]
["D13338",25839,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246311","COc1ccccc1-n1nc(OC2CCN(CC2)S(C)(=O)=O)cc1-c1ccc(Cl)cc1","InChI=1S/C22H24ClN3O4S/c1-29-21-6-4-3-5-19(21)26-20(16-7-9-17(23)10-8-16)15-22(24-26)30-18-11-13-25(14-12-18)31(2,27)28/h3-10,15,18H,11-14H2,1-2H3","NWSFHJWTWBRJFA-UHFFFAOYSA-N",null,15]
["D13339",25838,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246312","COc1ccccc1-n1nc(OC2CCOCC2)cc1-c1ccc(Cl)cc1","InChI=1S/C21H21ClN2O3/c1-25-20-5-3-2-4-18(20)24-19(15-6-8-16(22)9-7-15)14-21(23-24)27-17-10-12-26-13-11-17/h2-9,14,17H,10-13H2,1H3","NOCIOWGNSBLDHC-UHFFFAOYSA-N",null,15]
["D13340",25847,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246316","COc1ccccc1-n1nc(OC2CCS(=O)(=O)CC2)cc1-c1ccc(Cl)cc1","InChI=1S/C21H21ClN2O4S/c1-27-20-5-3-2-4-18(20)24-19(15-6-8-16(22)9-7-15)14-21(23-24)28-17-10-12-29(25,26)13-11-17/h2-9,14,17H,10-13H2,1H3","VLKBVXIFTQLGCO-UHFFFAOYSA-N",null,30]
["D13341",25845,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246313","COc1ccccc1-n1nc(OC2CCSCC2)cc1-c1ccc(Cl)cc1","InChI=1S/C21H21ClN2O2S/c1-25-20-5-3-2-4-18(20)24-19(15-6-8-16(22)9-7-15)14-21(23-24)26-17-10-12-27-13-11-17/h2-9,14,17H,10-13H2,1H3","BDZDJFPQRUGPOF-UHFFFAOYSA-N",null,28]
["D13342",25858,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246328","COc1ccccc1-n1nc(OC2CN(C2)C(=O)OC(C)(C)C)cc1-c1ccc(Cl)cc1","InChI=1S/C24H26ClN3O4/c1-24(2,3)32-23(29)27-14-18(15-27)31-22-13-20(16-9-11-17(25)12-10-16)28(26-22)19-7-5-6-8-21(19)30-4/h5-13,18H,14-15H2,1-4H3","AZSLSVQTOKQPLV-UHFFFAOYSA-N",null,67]
["D13343",25860,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246332","COc1ccccc1-n1nc(OC2CN(C2)C(=O)c2ccccc2)cc1-c1ccc(Cl)cc1","InChI=1S/C26H22ClN3O3/c1-32-24-10-6-5-9-22(24)30-23(18-11-13-20(27)14-12-18)15-25(28-30)33-21-16-29(17-21)26(31)19-7-3-2-4-8-19/h2-15,21H,16-17H2,1H3","QKEPYKVCOWFCDP-UHFFFAOYSA-N",null,85]
["D13344",25853,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246330","COc1ccccc1-n1nc(OC2CN(C2)S(=O)(=O)C(C)C)cc1-c1ccc(Cl)cc1","InChI=1S/C22H24ClN3O4S/c1-15(2)31(27,28)25-13-18(14-25)30-22-12-20(16-8-10-17(23)11-9-16)26(24-22)19-6-4-5-7-21(19)29-3/h4-12,15,18H,13-14H2,1-3H3","FFLKWIPCJQAAJX-UHFFFAOYSA-N",null,36]
["D13345",25829,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246335","COc1ccccc1-n1nc(OC2CN(C2)S(=O)(=O)c2c(C)noc2C)cc1-c1ccc(Cl)cc1","InChI=1S/C24H23ClN4O5S/c1-15-24(16(2)34-27-15)35(30,31)28-13-19(14-28)33-23-12-21(17-8-10-18(25)11-9-17)29(26-23)20-6-4-5-7-22(20)32-3/h4-12,19H,13-14H2,1-3H3","QUYJROSEXGBONG-UHFFFAOYSA-N",null,8]
["D13346",25850,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246331","COc1ccccc1-n1nc(OC2CN(C2)S(C)(=O)=O)cc1-c1ccc(Cl)cc1","InChI=1S/C20H20ClN3O4S/c1-27-19-6-4-3-5-17(19)24-18(14-7-9-15(21)10-8-14)11-20(22-24)28-16-12-23(13-16)29(2,25)26/h3-11,16H,12-13H2,1-2H3","PSVKDIGKMXLUQF-UHFFFAOYSA-N",null,31]
["D13347",25820,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246345","COc1ccccc1-n1nc(OCC2C(C)(C)OC2(C)C)cc1-c1ccc(Cl)cc1","InChI=1S/C24H27ClN2O3/c1-23(2)21(24(3,4)30-23)15-29-22-14-19(16-10-12-17(25)13-11-16)27(26-22)18-8-6-7-9-20(18)28-5/h6-14,21H,15H2,1-5H3","GTVKXVAXHKIMQX-UHFFFAOYSA-N",null,3.1]
["D13348",25833,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246319","COc1ccccc1-n1nc(O[C@@H]2CC[C@@H](CC2)NC(=O)C(F)(F)F)cc1-c1ccc(Cl)cc1","InChI=1S/C24H23ClF3N3O3/c1-33-21-5-3-2-4-19(21)31-20(15-6-8-16(25)9-7-15)14-22(30-31)34-18-12-10-17(11-13-18)29-23(32)24(26,27)28/h2-9,14,17-18H,10-13H2,1H3,(H,29,32)/t17-,18+","UGCISYLUHGKJKT-HDICACEKSA-N",null,11]
["D13349",25857,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246317","COc1ccccc1-n1nc(O[C@@H]2CC[C@@H](CC2)NC(=O)OC(C)(C)C)cc1-c1ccc(Cl)cc1","InChI=1S/C27H32ClN3O4/c1-27(2,3)35-26(32)29-20-13-15-21(16-14-20)34-25-17-23(18-9-11-19(28)12-10-18)31(30-25)22-7-5-6-8-24(22)33-4/h5-12,17,20-21H,13-16H2,1-4H3,(H,29,32)/t20-,21+","XNUZTIQWJMXUHN-OYRHEFFESA-N",null,62]
["D13350",25863,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1","Homo sapiens","BDBM246318","COc1ccccc1-n1nc(O[C@@H]2CC[C@H](N)CC2)cc1-c1ccc(Cl)cc1","InChI=1S/C22H24ClN3O2/c1-27-21-5-3-2-4-19(21)26-20(15-6-8-16(23)9-7-15)14-22(25-26)28-18-12-10-17(24)11-13-18/h2-9,14,17-18H,10-13,24H2,1H3/t17-,18+","DXHGSDDDNQXAEJ-HDICACEKSA-N",null,400]
["D13351",11999,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43131","COc1ccccc1C(=O)C1CCCN(C1)C(=O)CSc1ccccn1","InChI=1S/C20H22N2O3S/c1-25-17-9-3-2-8-16(17)20(24)15-7-6-12-22(13-15)19(23)14-26-18-10-4-5-11-21-18/h2-5,8-11,15H,6-7,12-14H2,1H3","OYIHQTQJEFTTFZ-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D13352",12336,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM62115","COc1ccccc1C(=O)N(CCC1CCCN1C)c1nc2ccccc2s1","InChI=1S/C22H25N3O2S/c1-24-14-7-8-16(24)13-15-25(21(26)17-9-3-5-11-19(17)27-2)22-23-18-10-4-6-12-20(18)28-22/h3-6,9-12,16H,7-8,13-15H2,1-2H3","VJWZYBFEWVNBCF-UHFFFAOYSA-N",null,">35878"]
["D13353",4233,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66239","COc1ccccc1C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1","InChI=1S/C20H22N2O4/c1-24-17-5-3-2-4-16(17)20(23)22-10-8-21(9-11-22)13-15-6-7-18-19(12-15)26-14-25-18/h2-7,12H,8-11,13-14H2,1H3","OJTYWARUNJZXRJ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13354",4075,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66968","COc1ccccc1C(=O)NC(=O)COC(=O)CCS(=O)(=O)c1ccc(C)cc1","InChI=1S/C20H21NO7S/c1-14-7-9-15(10-8-14)29(25,26)12-11-19(23)28-13-18(22)21-20(24)16-5-3-4-6-17(16)27-2/h3-10H,11-13H2,1-2H3,(H,21,22,24)","FLUZJHHWPPCAIJ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13355",4121,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67007","COc1ccccc1C(=O)NCCC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1","InChI=1S/C21H24ClN3O5S/c1-30-19-5-3-2-4-18(19)21(27)23-11-10-20(26)24-12-14-25(15-13-24)31(28,29)17-8-6-16(22)7-9-17/h2-9H,10-15H2,1H3,(H,23,27)","VZRPHEVSSUPCIS-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13356",32195,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43634","COc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1","InChI=1S/C19H21N3O4/c1-12(2)17(23)20-14-10-8-13(9-11-14)18(24)21-22-19(25)15-6-4-5-7-16(15)26-3/h4-12H,1-3H3,(H,20,23)(H,21,24)(H,22,25)","KFTDCSROKCZGRW-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D13357",32193,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43632","COc1ccccc1C(=O)NNC(=S)Nc1ccccc1","InChI=1S/C15H15N3O2S/c1-20-13-10-6-5-9-12(13)14(19)17-18-15(21)16-11-7-3-2-4-8-11/h2-10H,1H3,(H,17,19)(H2,16,18,21)","XQCTZGFPBCDRSW-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D13358",31750,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43554","COc1ccccc1C(=O)Nc1cc(Cl)ccc1O","InChI=1S/C14H12ClNO3/c1-19-13-5-3-2-4-10(13)14(18)16-11-8-9(15)6-7-12(11)17/h2-8,17H,1H3,(H,16,18)","CIJVRWOHLBHSJS-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D13359",12442,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42956","COc1ccccc1C(=O)Nc1cccc(c1)-c1cn2ccsc2n1","InChI=1S/C19H15N3O2S/c1-24-17-8-3-2-7-15(17)18(23)20-14-6-4-5-13(11-14)16-12-22-9-10-25-19(22)21-16/h2-12H,1H3,(H,20,23)","BPCBHLCQTLAFBG-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D13360",12444,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42958","COc1ccccc1C(=O)Nc1ccccn1","InChI=1S/C13H12N2O2/c1-17-11-7-3-2-6-10(11)13(16)15-12-8-4-5-9-14-12/h2-9H,1H3,(H,14,15,16)","FHPWTYWEPNEAQY-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D13361",4025,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66926","COc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cn(C)c3ccccc23)CC1","InChI=1S/C26H29N5O2/c1-29-17-19(21-7-3-5-9-23(21)29)18-30-15-12-20(13-16-30)31-25(11-14-27-31)28-26(32)22-8-4-6-10-24(22)33-2/h3-11,14,17,20H,12-13,15-16,18H2,1-2H3,(H,28,32)","BJTKXFBFOMTTGV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13362",3485,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565010","COc1ccccc1C1CCc2c(C1)cnn(-c1ccccn1)c2=O","InChI=1S/C20H19N3O2/c1-25-18-7-3-2-6-16(18)14-9-10-17-15(12-14)13-22-23(20(17)24)19-8-4-5-11-21-19/h2-8,11,13-14H,9-10,12H2,1H3","ASJYSAHHOJWMMG-UHFFFAOYSA-N",null,"<500"]
["D13363",3784,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66717","COc1ccccc1CC(=O)N1CCOCC1","InChI=1S/C13H17NO3/c1-16-12-5-3-2-4-11(12)10-13(15)14-6-8-17-9-7-14/h2-5H,6-10H2,1H3","HEYJWMRBDCHCHX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13364",4302,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66402","COc1ccccc1CC(=[NH2+])[N-]OC(=O)c1cccc(c1)[N+]([O-])=O","InChI=1S/C16H14N3O5/c1-23-14-8-3-2-5-11(14)10-15(17)18-24-16(20)12-6-4-7-13(9-12)19(21)22/h2-9H,10H2,1H3,(H-,17,18)/q-1/p+1","ACFLGLTVXGJDQO-UHFFFAOYSA-O",{"$nulls":3},">350000"]
["D13365",4076,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66969","COc1ccccc1CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1","InChI=1S/C19H19N3O4S2/c1-26-17-5-3-2-4-14(17)6-11-18(23)21-15-7-9-16(10-8-15)28(24,25)22-19-20-12-13-27-19/h2-5,7-10,12-13H,6,11H2,1H3,(H,20,22)(H,21,23)","QDZBHKYWFRRSDI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13366",3930,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66845","COc1ccccc1CCCNC(=O)C1CCC(=O)N(Cc2ccccc2F)C1","InChI=1S/C23H27FN2O3/c1-29-21-11-5-3-7-17(21)9-6-14-25-23(28)19-12-13-22(27)26(16-19)15-18-8-2-4-10-20(18)24/h2-5,7-8,10-11,19H,6,9,12-16H2,1H3,(H,25,28)","WKBUIPWNFOKHOT-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13367",4769,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66689","COc1ccccc1CCNC(C)CCc1ccc(O)cc1","InChI=1S/C19H25NO2/c1-15(7-8-16-9-11-18(21)12-10-16)20-14-13-17-5-3-4-6-19(17)22-2/h3-6,9-12,15,20-21H,7-8,13-14H2,1-2H3","LAVSHUXWOROQLF-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13368",11877,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43026","COc1ccccc1CN(C)C(=O)c1ccc2SCC(=O)Nc2c1","InChI=1S/C18H18N2O3S/c1-20(10-13-5-3-4-6-15(13)23-2)18(22)12-7-8-16-14(9-12)19-17(21)11-24-16/h3-9H,10-11H2,1-2H3,(H,19,21)","AKONEQCRPLXHMJ-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D13369",3989,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM64376","COc1ccccc1CN1CC(CCC1=O)C(=O)NCCN1CCNC1=O","InChI=1S/C19H26N4O4/c1-27-16-5-3-2-4-14(16)12-23-13-15(6-7-17(23)24)18(25)20-8-10-22-11-9-21-19(22)26/h2-5,15H,6-13H2,1H3,(H,20,25)(H,21,26)","ZLQUPSRZSYWHCU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13370",4591,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66541","COc1ccccc1CNC(=O)COc1ccc(cc1)[N+]([O-])=O","InChI=1S/C16H16N2O5/c1-22-15-5-3-2-4-12(15)10-17-16(19)11-23-14-8-6-13(7-9-14)18(20)21/h2-9H,10-11H2,1H3,(H,17,19)","VEHPOZGKXYLZDJ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13371",11860,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43011","COc1ccccc1CNC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N","InChI=1S/C21H17N5O2S2/c1-28-16-6-3-2-5-13(16)11-25-18(27)12-30-21-15(10-23)19(17-7-4-8-29-17)14(9-22)20(24)26-21/h2-8H,11-12H2,1H3,(H2,24,26)(H,25,27)","KKLGJQYLQBJYML-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D13372",28458,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50275796","COc1ccccc1CNc1cc(Cl)nc2ccnn12","InChI=1S/C14H13ClN4O/c1-20-11-5-3-2-4-10(11)9-16-14-8-12(15)18-13-6-7-17-19(13)14/h2-8,16H,9H2,1H3","QHRAEVKEZZEIFJ-UHFFFAOYSA-N",null,15900]
["D13373",32116,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43536","COc1ccccc1CNc1ncnc2cc(Cl)ccc12","InChI=1S/C16H14ClN3O/c1-21-15-5-3-2-4-11(15)9-18-16-13-7-6-12(17)8-14(13)19-10-20-16/h2-8,10H,9H2,1H3,(H,18,19,20)","AVFORMQVVOKGEA-UHFFFAOYSA-N",null,">55700"]
["D13374",12080,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM47458","COc1ccccc1N(C(=O)CCl)c1cn(C(C)=O)c2ccccc12","InChI=1S/C19H17ClN2O3/c1-13(23)21-12-17(14-7-3-4-8-15(14)21)22(19(24)11-20)16-9-5-6-10-18(16)25-2/h3-10,12H,11H2,1-2H3","FKZSWIPTPGQJJO-UHFFFAOYSA-N",null,3760]
["D13375",11827,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42980","COc1ccccc1N(CC(=O)NCC1CCCO1)C(=O)CCC(=O)Nc1nccs1","InChI=1S/C21H26N4O5S/c1-29-17-7-3-2-6-16(17)25(14-19(27)23-13-15-5-4-11-30-15)20(28)9-8-18(26)24-21-22-10-12-31-21/h2-3,6-7,10,12,15H,4-5,8-9,11,13-14H2,1H3,(H,23,27)(H,22,24,26)","CRMGUFVCLBTVSB-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D13376",3827,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66755","COc1ccccc1N1C(=O)c2cccc3c(Cl)ccc(C1=O)c23","InChI=1S/C19H12ClNO3/c1-24-16-8-3-2-7-15(16)21-18(22)12-6-4-5-11-14(20)10-9-13(17(11)12)19(21)23/h2-10H,1H3","OODCZOSKGSOHOM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13377",4348,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66287","COc1ccccc1N1CCN(CC1)C(=O)c1ccc(cc1)C(C)(C)C","InChI=1S/C22H28N2O2/c1-22(2,3)18-11-9-17(10-12-18)21(25)24-15-13-23(14-16-24)19-7-5-6-8-20(19)26-4/h5-12H,13-16H2,1-4H3","NTQGGLFFMNFGMS-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13378",4385,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66311","COc1ccccc1N1CCN(CC1)C(c1nnnn1CCc1ccccc1)c1ccccc1","InChI=1S/C27H30N6O/c1-34-25-15-9-8-14-24(25)31-18-20-32(21-19-31)26(23-12-6-3-7-13-23)27-28-29-30-33(27)17-16-22-10-4-2-5-11-22/h2-15,26H,16-21H2,1H3","WDORARNTCODBGU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13379",3969,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66876","COc1ccccc1N1CCN(CC1)S(=O)(=O)CCNC(=O)c1cc(OC)c(OC)c(OC)c1","InChI=1S/C23H31N3O7S/c1-30-19-8-6-5-7-18(19)25-10-12-26(13-11-25)34(28,29)14-9-24-23(27)17-15-20(31-2)22(33-4)21(16-17)32-3/h5-8,15-16H,9-14H2,1-4H3,(H,24,27)","YKZFJMZZOLIMLZ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13380",25625,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-2","Bos taurus","BDBM86757","COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1","InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3","MEKSQRMXWZHFIP-UHFFFAOYSA-N",">10000"]
["D13381",16347,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478659","COc1ccccc1N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3nc(C)no3)c2)CC1","InChI=1S/C27H28N8O2/c1-18-29-26(37-33-18)20-7-8-21-22(16-20)31-27(30-21)32-25-15-19(9-10-28-25)17-34-11-13-35(14-12-34)23-5-3-4-6-24(23)36-2/h3-10,15-16H,11-14,17H2,1-2H3,(H2,28,30,31,32)","NHPQMQYAQVMCLL-UHFFFAOYSA-N",null,170]
["D13382",4395,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM59798","COc1ccccc1NC(=O)CC1COc2ccccc2O1","InChI=1S/C17H17NO4/c1-20-14-7-3-2-6-13(14)18-17(19)10-12-11-21-15-8-4-5-9-16(15)22-12/h2-9,12H,10-11H2,1H3,(H,18,19)","HSGCNPBXFCLBFN-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13383",4345,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66285","COc1ccccc1NC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O","InChI=1S/C19H20N4O3/c1-13-17(18(24)23(22(13)2)14-9-5-4-6-10-14)21-19(25)20-15-11-7-8-12-16(15)26-3/h4-12H,1-3H3,(H2,20,21,25)","DZLKBTBKPHPZOZ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13384",31757,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43560","COc1ccccc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C","InChI=1S/C16H18N2O3/c1-9-14(11(3)19)10(2)17-15(9)16(20)18-12-7-5-6-8-13(12)21-4/h5-8,17H,1-4H3,(H,18,20)","GIOYGECUVPWYHF-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D13385",4371,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66304","COc1ccccc1NC(=O)c1ccc(cc1)S(=O)(=O)N1CCCC1","InChI=1S/C18H20N2O4S/c1-24-17-7-3-2-6-16(17)19-18(21)14-8-10-15(11-9-14)25(22,23)20-12-4-5-13-20/h2-3,6-11H,4-5,12-13H2,1H3,(H,19,21)","QNNNBNOORIHQCZ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13386",4207,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67090","COc1ccccc1NS(=O)(=O)c1ccc(C)c(c1)C(=O)N1CCN(CC1)c1ccc(O)cc1","InChI=1S/C25H27N3O5S/c1-18-7-12-21(34(31,32)26-23-5-3-4-6-24(23)33-2)17-22(18)25(30)28-15-13-27(14-16-28)19-8-10-20(29)11-9-19/h3-12,17,26,29H,13-16H2,1-2H3","FKBNCYYLTGLEJU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13387",4204,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67087","COc1ccccc1OCC(=O)NNC(=O)c1ccc(F)c(c1)S(=O)(=O)N1CCOCC1","InChI=1S/C20H22FN3O7S/c1-29-16-4-2-3-5-17(16)31-13-19(25)22-23-20(26)14-6-7-15(21)18(12-14)32(27,28)24-8-10-30-11-9-24/h2-7,12H,8-11,13H2,1H3,(H,22,25)(H,23,26)","PUVWCOGXVOOXBT-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13388",32043,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM38926","COc1ccccc1OCC(=O)c1[nH]c(C)c(C(C)=O)c1C","InChI=1S/C17H19NO4/c1-10-16(12(3)19)11(2)18-17(10)13(20)9-22-15-8-6-5-7-14(15)21-4/h5-8,18H,9H2,1-4H3","FJAIZBMFLWKECJ-UHFFFAOYSA-N",null,">55700"]
["D13389",12433,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42949","COc1ccccc1OCc1nc2ccccc2[nH]1","InChI=1S/C15H14N2O2/c1-18-13-8-4-5-9-14(13)19-10-15-16-11-6-2-3-7-12(11)17-15/h2-9H,10H2,1H3,(H,16,17)","MWKOUPJMMYDGLH-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D13390",3550,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564969","COc1cccnc1-n1ncc2CC(CCc2c1=O)c1ccc(C)cc1C","InChI=1S/C22H23N3O2/c1-14-6-8-18(15(2)11-14)16-7-9-19-17(12-16)13-24-25(22(19)26)21-20(27-3)5-4-10-23-21/h4-6,8,10-11,13,16H,7,9,12H2,1-3H3","DSNNJIHWNKKNEI-UHFFFAOYSA-N",null,"<500"]
["D13391",16308,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478669","COc1cccnc1N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3nc(C)no3)c2)CC1","InChI=1S/C26H27N9O2/c1-17-29-25(37-33-17)19-5-6-20-21(15-19)31-26(30-20)32-23-14-18(7-9-27-23)16-34-10-12-35(13-11-34)24-22(36-2)4-3-8-28-24/h3-9,14-15H,10-13,16H2,1-2H3,(H2,27,30,31,32)","OXRDNXKQNYXTHU-UHFFFAOYSA-N",null,150]
["D13392",3549,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564968","COc1ccnc(c1)-n1ncc2CC(CCc2c1=O)c1ccc(C)cc1C","InChI=1S/C22H23N3O2/c1-14-4-6-19(15(2)10-14)16-5-7-20-17(11-16)13-24-25(22(20)26)21-12-18(27-3)8-9-23-21/h4,6,8-10,12-13,16H,5,7,11H2,1-3H3","KGOMREKPEKOHTE-UHFFFAOYSA-N",null,"<500"]
["D13393",3566,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564987","COc1ccnc(n1)-n1ncc2CC(CCc2c1=O)c1ccc(C)cc1C","InChI=1S/C21H22N4O2/c1-13-4-6-17(14(2)10-13)15-5-7-18-16(11-15)12-23-25(20(18)26)21-22-9-8-19(24-21)27-3/h4,6,8-10,12,15H,5,7,11H2,1-3H3","QARJHBHKIAEDEN-UHFFFAOYSA-N",null,"<500"]
["D13394",3470,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564994","COc1ccnc(n1)-n1ncc2CC(CCc2c1=O)c1cccc(OC)c1C","InChI=1S/C21H22N4O3/c1-13-16(5-4-6-18(13)27-2)14-7-8-17-15(11-14)12-23-25(20(17)26)21-22-10-9-19(24-21)28-3/h4-6,9-10,12,14H,7-8,11H2,1-3H3","VEKLPMTVTPNYAD-UHFFFAOYSA-N",null,"<500"]
["D13395",16727,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478322","COc1ccncc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C27H29N7O2/c1-36-24-7-8-28-16-21(24)20-4-5-22-23(15-20)31-27(30-22)32-25-14-18(6-9-29-25)17-33-10-12-34(13-11-33)26(35)19-2-3-19/h4-9,14-16,19H,2-3,10-13,17H2,1H3,(H2,29,30,31,32)","OZQDVNTWLGSOTF-UHFFFAOYSA-N",null,550]
["D13396",16373,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478320","COc1ccncc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CCC4)ccn3)[nH]c2c1","InChI=1S/C28H31N7O2/c1-37-25-8-9-29-17-22(25)21-5-6-23-24(16-21)32-28(31-23)33-26-15-19(7-10-30-26)18-34-11-13-35(14-12-34)27(36)20-3-2-4-20/h5-10,15-17,20H,2-4,11-14,18H2,1H3,(H2,30,31,32,33)","TWZMXIPZKFADHY-UHFFFAOYSA-N",null,195]
["D13397",16481,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478321","COc1ccncc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC4CC4)ccn3)[nH]c2c1","InChI=1S/C28H31N7O2/c1-37-25-7-8-29-17-22(25)21-4-5-23-24(16-21)32-28(31-23)33-26-14-20(6-9-30-26)18-34-10-12-35(13-11-34)27(36)15-19-2-3-19/h4-9,14,16-17,19H,2-3,10-13,15,18H2,1H3,(H2,30,31,32,33)","LAKMEUARQQXUMJ-UHFFFAOYSA-N",null,283]
["D13398",16411,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478303","COc1cnc(C)cc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C28H31N7O2/c1-18-13-22(25(37-2)16-30-18)21-5-6-23-24(15-21)32-28(31-23)33-26-14-19(7-8-29-26)17-34-9-11-35(12-10-34)27(36)20-3-4-20/h5-8,13-16,20H,3-4,9-12,17H2,1-2H3,(H2,29,31,32,33)","WUKFLVMTDMXVHS-UHFFFAOYSA-N",null,224]
["D13399",16569,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478305","COc1cnc(C)cc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CCC4)ccn3)[nH]c2c1","InChI=1S/C29H33N7O2/c1-19-14-23(26(38-2)17-31-19)22-6-7-24-25(16-22)33-29(32-24)34-27-15-20(8-9-30-27)18-35-10-12-36(13-11-35)28(37)21-4-3-5-21/h6-9,14-17,21H,3-5,10-13,18H2,1-2H3,(H2,30,32,33,34)","XDFWKFSHLAYGNX-UHFFFAOYSA-N",null,384]
["D13400",16471,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478304","COc1cnc(C)cc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C27H28F3N7O2/c1-17-11-20(23(39-2)15-32-17)19-3-4-21-22(13-19)34-26(33-21)35-24-12-18(5-6-31-24)16-36-7-9-37(10-8-36)25(38)14-27(28,29)30/h3-6,11-13,15H,7-10,14,16H2,1-2H3,(H2,31,33,34,35)","KMCTWUSBRQVPBA-UHFFFAOYSA-N",null,277]
["D13401",16610,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478306","COc1cnc(C)cc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC4CC4)ccn3)[nH]c2c1","InChI=1S/C29H33N7O2/c1-19-13-23(26(38-2)17-31-19)22-5-6-24-25(16-22)33-29(32-24)34-27-14-21(7-8-30-27)18-35-9-11-36(12-10-35)28(37)15-20-3-4-20/h5-8,13-14,16-17,20H,3-4,9-12,15,18H2,1-2H3,(H2,30,32,33,34)","KGONWVXABIMELO-UHFFFAOYSA-N",null,444]
["D13402",15700,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478561","COc1cnc(Cl)nc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C27H31ClN8O3/c1-27(2,3)39-26(37)36-11-9-35(10-12-36)16-17-7-8-29-22(13-17)33-25-31-19-6-5-18(14-20(19)32-25)23-21(38-4)15-30-24(28)34-23/h5-8,13-15H,9-12,16H2,1-4H3,(H2,29,31,32,33)","VDOWFBKKSWEZNW-UHFFFAOYSA-N",null,36.4]
["D13403",15674,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478563","COc1cnc(OCC2CC2)nc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C30H34N8O3/c1-40-25-16-32-30(41-18-19-2-3-19)36-27(25)22-6-7-23-24(15-22)34-29(33-23)35-26-14-20(8-9-31-26)17-37-10-12-38(13-11-37)28(39)21-4-5-21/h6-9,14-16,19,21H,2-5,10-13,17-18H2,1H3,(H2,31,33,34,35)","RPXOSFVXIXERFW-UHFFFAOYSA-N",null,33.7]
["D13404",15791,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478564","COc1cnc(OCC2CC2)nc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C29H31F3N8O3/c1-42-23-15-34-28(43-17-18-2-3-18)38-26(23)20-4-5-21-22(13-20)36-27(35-21)37-24-12-19(6-7-33-24)16-39-8-10-40(11-9-39)25(41)14-29(30,31)32/h4-7,12-13,15,18H,2-3,8-11,14,16-17H2,1H3,(H2,33,35,36,37)","FKXMMZOJQKHJTK-UHFFFAOYSA-N",null,47]
["D13405",16401,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478562","COc1cnc(OCC2CC2)nc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C31H38N8O4/c1-31(2,3)43-30(40)39-13-11-38(12-14-39)18-21-9-10-32-26(15-21)36-28-34-23-8-7-22(16-24(23)35-28)27-25(41-4)17-33-29(37-27)42-19-20-5-6-20/h7-10,15-17,20H,5-6,11-14,18-19H2,1-4H3,(H2,32,34,35,36)","CZDJCYVPWBZIDG-UHFFFAOYSA-N",null,217]
["D13406",16755,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478307","COc1cnc(cc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1)C(=O)N(C)C","InChI=1S/C30H34N8O3/c1-36(2)29(40)25-16-22(26(41-3)17-32-25)21-6-7-23-24(15-21)34-30(33-23)35-27-14-19(8-9-31-27)18-37-10-12-38(13-11-37)28(39)20-4-5-20/h6-9,14-17,20H,4-5,10-13,18H2,1-3H3,(H2,31,33,34,35)","QMPOCLFYSXCTEW-UHFFFAOYSA-N",null,624]
["D13407",3569,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565000","COc1cnc(nc1)-n1ncc2CC(CCc2c1=O)c1cc(OC)ccc1C","InChI=1S/C21H22N4O3/c1-13-4-6-16(27-2)9-19(13)14-5-7-18-15(8-14)10-24-25(20(18)26)21-22-11-17(28-3)12-23-21/h4,6,9-12,14H,5,7-8H2,1-3H3","ONIGGCKJZRDDGA-UHFFFAOYSA-N",null,750]
["D13408",3480,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565005","COc1cnc(nc1)-n1ncc2CC(CCc2c1=O)c1ccc(C)cc1C","InChI=1S/C21H22N4O2/c1-13-4-6-18(14(2)8-13)15-5-7-19-16(9-15)10-24-25(20(19)26)21-22-11-17(27-3)12-23-21/h4,6,8,10-12,15H,5,7,9H2,1-3H3","BBCCWUYJRJKDHM-UHFFFAOYSA-N",null,"<500"]
["D13409",3472,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564996","COc1cnc(nc1)-n1ncc2CC(CCc2c1=O)c1cccc(OC)c1C","InChI=1S/C21H22N4O3/c1-13-17(5-4-6-19(13)28-3)14-7-8-18-15(9-14)10-24-25(20(18)26)21-22-11-16(27-2)12-23-21/h4-6,10-12,14H,7-9H2,1-3H3","LSNWTIBLKBNCIN-UHFFFAOYSA-N",null,"<500"]
["D13410",16371,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478525","COc1cncc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C26H28N8O2/c1-36-24-15-27-14-22(29-24)19-4-5-20-21(13-19)31-26(30-20)32-23-12-17(6-7-28-23)16-33-8-10-34(11-9-33)25(35)18-2-3-18/h4-7,12-15,18H,2-3,8-11,16H2,1H3,(H2,28,30,31,32)","SVBHOARXHDRSOI-UHFFFAOYSA-N",null,193]
["D13411",15634,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478298","COc1cnccc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C28H33N7O2/c1-28(2,3)26(36)35-13-11-34(12-14-35)18-19-7-10-30-25(15-19)33-27-31-22-6-5-20(16-23(22)32-27)21-8-9-29-17-24(21)37-4/h5-10,15-17H,11-14,18H2,1-4H3,(H2,30,31,32,33)","YGPUCVYNPJWAAF-UHFFFAOYSA-N",null,30.2]
["D13412",15467,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478836","COc1cnccc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C(C)(C)O)ccn3)[nH]c2c1","InChI=1S/C27H31N7O3/c1-27(2,36)25(35)34-12-10-33(11-13-34)17-18-6-9-29-24(14-18)32-26-30-21-5-4-19(15-22(21)31-26)20-7-8-28-16-23(20)37-3/h4-9,14-16,36H,10-13,17H2,1-3H3,(H2,29,30,31,32)","KPUIOLWZJJSWMB-UHFFFAOYSA-N",null,28.5]
["D13413",15465,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478837","COc1cnccc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C(C)(C)OC)ccn3)[nH]c2c1","InChI=1S/C28H33N7O3/c1-28(2,38-4)26(36)35-13-11-34(12-14-35)18-19-7-10-30-25(15-19)33-27-31-22-6-5-20(16-23(22)32-27)21-8-9-29-17-24(21)37-3/h5-10,15-17H,11-14,18H2,1-4H3,(H2,30,31,32,33)","BIUTXVNVSZKBHG-UHFFFAOYSA-N",null,28.3]
["D13414",15067,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478834","COc1cnccc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4(CC4)C(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C28H28F3N7O2/c1-40-23-16-32-8-5-20(23)19-2-3-21-22(15-19)35-26(34-21)36-24-14-18(4-9-33-24)17-37-10-12-38(13-11-37)25(39)27(6-7-27)28(29,30)31/h2-5,8-9,14-16H,6-7,10-13,17H2,1H3,(H2,33,34,35,36)","UQTHYNAHUQUIGR-UHFFFAOYSA-N",null,10]
["D13415",15181,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478835","COc1cnccc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4(F)F)ccn3)[nH]c2c1",{"$nulls":3},13.8]
["D13416",15345,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478295","COc1cnccc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C27H29N7O2/c1-36-24-16-28-8-7-21(24)20-4-5-22-23(15-20)31-27(30-22)32-25-14-18(6-9-29-25)17-33-10-12-34(13-11-33)26(35)19-2-3-19/h4-9,14-16,19H,2-3,10-13,17H2,1H3,(H2,29,30,31,32)","DGOYORWLPNSJIX-UHFFFAOYSA-N",null,19.3]
["D13417",16533,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478528","COc1cnccc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1OCC(C)C","InChI=1S/C31H37N7O3/c1-20(2)19-41-29-24(23-9-10-32-17-26(23)40-3)6-7-25-28(29)36-31(34-25)35-27-16-21(8-11-33-27)18-37-12-14-38(15-13-37)30(39)22-4-5-22/h6-11,16-17,20,22H,4-5,12-15,18-19H2,1-3H3,(H2,33,34,35,36)","ZMMIZFJPNYYHTH-UHFFFAOYSA-N",null,333]
["D13418",15400,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478296","COc1cnccc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CCC4)ccn3)[nH]c2c1","InChI=1S/C28H31N7O2/c1-37-25-17-29-9-8-22(25)21-5-6-23-24(16-21)32-28(31-23)33-26-15-19(7-10-30-26)18-34-11-13-35(14-12-34)27(36)20-3-2-4-20/h5-10,15-17,20H,2-4,11-14,18H2,1H3,(H2,30,31,32,33)","WVLCKMJSIKJSIT-UHFFFAOYSA-N",null,22.4]
["D13419",16767,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478529","COc1cnccc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CCC4)ccn3)[nH]c2c1OCC(C)C","InChI=1S/C32H39N7O3/c1-21(2)20-42-30-25(24-10-11-33-18-27(24)41-3)7-8-26-29(30)37-32(35-26)36-28-17-22(9-12-34-28)19-38-13-15-39(16-14-38)31(40)23-5-4-6-23/h7-12,17-18,21,23H,4-6,13-16,19-20H2,1-3H3,(H2,34,35,36,37)","FEGHIVRTKQRSIX-UHFFFAOYSA-N",null,645]
["D13420",15293,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478294","COc1cnccc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C26H26F3N7O2/c1-38-22-15-30-6-5-19(22)18-2-3-20-21(13-18)33-25(32-20)34-23-12-17(4-7-31-23)16-35-8-10-36(11-9-35)24(37)14-26(27,28)29/h2-7,12-13,15H,8-11,14,16H2,1H3,(H2,31,32,33,34)","KZFUNKSAUJLECW-UHFFFAOYSA-N",null,16.4]
["D13421",16694,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478527","COc1cnccc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1OCC(C)C","InChI=1S/C30H34F3N7O3/c1-19(2)18-43-28-22(21-7-8-34-16-24(21)42-3)4-5-23-27(28)38-29(36-23)37-25-14-20(6-9-35-25)17-39-10-12-40(13-11-39)26(41)15-30(31,32)33/h4-9,14,16,19H,10-13,15,17-18H2,1-3H3,(H2,35,36,37,38)","GNPHRZYXYRXRQD-UHFFFAOYSA-N",null,499]
["D13422",15436,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478297","COc1cnccc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC4CC4)ccn3)[nH]c2c1","InChI=1S/C28H31N7O2/c1-37-25-17-29-8-7-22(25)21-4-5-23-24(16-21)32-28(31-23)33-26-14-20(6-9-30-26)18-34-10-12-35(13-11-34)27(36)15-19-2-3-19/h4-9,14,16-17,19H,2-3,10-13,15,18H2,1H3,(H2,30,31,32,33)","VMPPSWJJRFDIBZ-UHFFFAOYSA-N",null,25.3]
["D13423",15466,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478293","COc1cnccc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C28H33N7O3/c1-28(2,3)38-27(36)35-13-11-34(12-14-35)18-19-7-10-30-25(15-19)33-26-31-22-6-5-20(16-23(22)32-26)21-8-9-29-17-24(21)37-4/h5-10,15-17H,11-14,18H2,1-4H3,(H2,30,31,32,33)","UDJMJMBTUAQGKI-UHFFFAOYSA-N",null,28.5]
["D13424",15783,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205195","COc1cnccc1-c1nc(C(N)=O)c(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)s1","InChI=1S/C23H26N6O3S/c1-28-9-11-29(12-10-28)14-15-3-5-16(6-4-15)21(31)27-23-19(20(24)30)26-22(33-23)17-7-8-25-13-18(17)32-2/h3-8,13H,9-12,14H2,1-2H3,(H2,24,30)(H,27,31)","AYUVNFPAFJUWQW-UHFFFAOYSA-N",null,46,{"$nulls":4},7.5,"30.00 C"]
["D13425",15320,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478453","COc1cncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C26H28N8O2/c1-36-22-14-27-16-29-24(22)19-4-5-20-21(13-19)31-26(30-20)32-23-12-17(6-7-28-23)15-33-8-10-34(11-9-33)25(35)18-2-3-18/h4-7,12-14,16,18H,2-3,8-11,15H2,1H3,(H2,28,30,31,32)","ZLDDJCDBFXVVNF-UHFFFAOYSA-N",null,18]
["D13426",15330,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478452","COc1cncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C25H25F3N8O2/c1-38-20-13-29-15-31-23(20)17-2-3-18-19(11-17)33-24(32-18)34-21-10-16(4-5-30-21)14-35-6-8-36(9-7-35)22(37)12-25(26,27)28/h2-5,10-11,13,15H,6-9,12,14H2,1H3,(H2,30,32,33,34)","RBNMQLPRNBQQBA-UHFFFAOYSA-N",null,18.9]
["D13427",15858,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478454","COc1cncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)N(C)C)ccn3)[nH]c2c1","InChI=1S/C25H29N9O2/c1-32(2)25(35)34-10-8-33(9-11-34)15-17-6-7-27-22(12-17)31-24-29-19-5-4-18(13-20(19)30-24)23-21(36-3)14-26-16-28-23/h4-7,12-14,16H,8-11,15H2,1-3H3,(H2,27,29,30,31)","VLFSUQJPBFUYDL-UHFFFAOYSA-N",null,59.1]
["D13428",15795,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478456","COc1cncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)N4CCCC4)ccn3)[nH]c2c1","InChI=1S/C27H31N9O2/c1-38-23-16-28-18-30-25(23)20-4-5-21-22(15-20)32-26(31-21)33-24-14-19(6-7-29-24)17-34-10-12-36(13-11-34)27(37)35-8-2-3-9-35/h4-7,14-16,18H,2-3,8-13,17H2,1H3,(H2,29,31,32,33)","PBJHOGKTOOJUQV-UHFFFAOYSA-N",null,48]
["D13429",15792,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478457","COc1cncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)N4CCCCC4)ccn3)[nH]c2c1","InChI=1S/C28H33N9O2/c1-39-24-17-29-19-31-26(24)21-5-6-22-23(16-21)33-27(32-22)34-25-15-20(7-8-30-25)18-35-11-13-37(14-12-35)28(38)36-9-3-2-4-10-36/h5-8,15-17,19H,2-4,9-14,18H2,1H3,(H2,30,32,33,34)","GJGQKJWFSRSIAF-UHFFFAOYSA-N",null,47.9]
["D13430",15939,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478458","COc1cncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)N4CCOCC4)ccn3)[nH]c2c1","InChI=1S/C27H31N9O3/c1-38-23-16-28-18-30-25(23)20-2-3-21-22(15-20)32-26(31-21)33-24-14-19(4-5-29-24)17-34-6-8-35(9-7-34)27(37)36-10-12-39-13-11-36/h2-5,14-16,18H,6-13,17H2,1H3,(H2,29,31,32,33)","MXLQNIRBCFRDEH-UHFFFAOYSA-N",null,77.3]
["D13431",15656,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478463","COc1cncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)S(=O)(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C25H28N8O3S/c1-36-22-14-26-16-28-24(22)18-2-5-20-21(13-18)30-25(29-20)31-23-12-17(6-7-27-23)15-32-8-10-33(11-9-32)37(34,35)19-3-4-19/h2,5-7,12-14,16,19H,3-4,8-11,15H2,1H3,(H2,27,29,30,31)","KBUHTXRJQRKHOA-UHFFFAOYSA-N",null,32.4]
["D13432",15866,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478464","COc1cncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)S(=O)(=O)C4CCCCC4)ccn3)[nH]c2c1","InChI=1S/C28H34N8O3S/c1-39-25-17-29-19-31-27(25)21-7-8-23-24(16-21)33-28(32-23)34-26-15-20(9-10-30-26)18-35-11-13-36(14-12-35)40(37,38)22-5-3-2-4-6-22/h7-10,15-17,19,22H,2-6,11-14,18H2,1H3,(H2,30,32,33,34)","UWSFKQOBUAAPRB-UHFFFAOYSA-N",null,60.9]
["D13433",15403,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478465","COc1cncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)S(=O)(=O)C4CCOCC4)ccn3)[nH]c2c1","InChI=1S/C27H32N8O4S/c1-38-24-16-28-18-30-26(24)20-2-3-22-23(15-20)32-27(31-22)33-25-14-19(4-7-29-25)17-34-8-10-35(11-9-34)40(36,37)21-5-12-39-13-6-21/h2-4,7,14-16,18,21H,5-6,8-13,17H2,1H3,(H2,29,31,32,33)","HTLXRAKZJPDPST-UHFFFAOYSA-N",null,22.8]
["D13434",15741,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478460","COc1cncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)S(=O)(=O)CCC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C25H27F3N8O3S/c1-39-21-14-29-16-31-23(21)18-2-3-19-20(13-18)33-24(32-19)34-22-12-17(4-6-30-22)15-35-7-9-36(10-8-35)40(37,38)11-5-25(26,27)28/h2-4,6,12-14,16H,5,7-11,15H2,1H3,(H2,30,32,33,34)","MJDRIZZZKQZXBJ-UHFFFAOYSA-N",null,40.6]
["D13435",15717,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478466","COc1cncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)S(=O)(=O)N(C)C)ccn3)[nH]c2c1","InChI=1S/C24H29N9O3S/c1-31(2)37(34,35)33-10-8-32(9-11-33)15-17-6-7-26-22(12-17)30-24-28-19-5-4-18(13-20(19)29-24)23-21(36-3)14-25-16-27-23/h4-7,12-14,16H,8-11,15H2,1-3H3,(H2,26,28,29,30)","AUPTXSJXJMWBNC-UHFFFAOYSA-N",null,38]
["D13436",15746,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478469","COc1cncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)S(=O)(=O)N4CC(C)OC(C)C4)ccn3)[nH]c2c1",{"$nulls":3},41.8]
["D13437",14840,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478472","COc1cncnc1-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)C3CC3)[nH]c2c1",{"$nulls":3},6.29]
["D13438",15083,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478473","COc1cncnc1-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)C3CCC3)[nH]c2c1",{"$nulls":3},10.4]
["D13439",14584,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478474","COc1cncnc1-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)CC(F)(F)F)[nH]c2c1",{"$nulls":3},3.85]
["D13440",15114,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478471","COc1cncnc1-c1ccc2nc(Nc3cc(ccn3)C(C)N3CCN(CC3)C(=O)CC3CC3)[nH]c2c1",{"$nulls":3},11.5]
["D13441",14768,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478478","COc1cncnc1-c1ccc2nc(Nc3cc(ccn3)[C@@H](C)N3CCN(CC3)C(=O)C3CC3)[nH]c2c1",{"$nulls":3},5.62]
["D13442",14951,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478480","COc1cncnc1-c1ccc2nc(Nc3cc(ccn3)[C@@H](C)N3CCN(CC3)C(=O)C3CCC3)[nH]c2c1",{"$nulls":3},8.38]
["D13443",14950,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478476","COc1cncnc1-c1ccc2nc(Nc3cc(ccn3)[C@@H](C)N3CCN(CC3)C(=O)CC3CC3)[nH]c2c1",{"$nulls":3},8.33]
["D13444",15648,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478479","COc1cncnc1-c1ccc2nc(Nc3cc(ccn3)[C@H](C)N3CCN(CC3)C(=O)C3CC3)[nH]c2c1",{"$nulls":3},31.7]
["D13445",15680,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478481","COc1cncnc1-c1ccc2nc(Nc3cc(ccn3)[C@H](C)N3CCN(CC3)C(=O)C3CCC3)[nH]c2c1",{"$nulls":3},34.5]
["D13446",15566,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478475","COc1cncnc1-c1ccc2nc(Nc3cc(ccn3)[C@H](C)N3CCN(CC3)C(=O)CC(F)(F)F)[nH]c2c1",{"$nulls":3},30]
["D13447",15664,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478477","COc1cncnc1-c1ccc2nc(Nc3cc(ccn3)[C@H](C)N3CCN(CC3)C(=O)CC3CC3)[nH]c2c1",{"$nulls":3},32.8]
["D13448",12438,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42952","COc1cnn(-c2ccccc2)c(=O)c1N(C)C","InChI=1S/C13H15N3O2/c1-15(2)12-11(18-3)9-14-16(13(12)17)10-7-5-4-6-8-10/h4-9H,1-3H3","KEQAQYZTEGSDHS-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D13449",16702,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478524","COc1cnnc(c1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C26H28N8O2/c1-36-20-14-22(32-28-15-20)19-4-5-21-23(13-19)30-26(29-21)31-24-12-17(6-7-27-24)16-33-8-10-34(11-9-33)25(35)18-2-3-18/h4-7,12-15,18H,2-3,8-11,16H2,1H3,(H2,27,29,30,31)","LUCKNEVFNXPOAV-UHFFFAOYSA-N",null,504]
["D13450",16210,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570810","COc1nc(Br)ccc1N1CCN(CC1)C(=O)OC(C)(C)C","InChI=1S/C15H22BrN3O3/c1-15(2,3)22-14(20)19-9-7-18(8-10-19)11-5-6-12(16)17-13(11)21-4/h5-6H,7-10H2,1-4H3","YWEWGSHJCKWGNF-UHFFFAOYSA-N",null,"<100"]
["D13451",16397,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478909","COc1nc(Cl)cc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C27H31ClN8O3/c1-27(2,3)39-26(37)36-11-9-35(10-12-36)16-17-7-8-29-23(13-17)34-24-30-19-6-5-18(14-21(19)31-24)20-15-22(28)33-25(32-20)38-4/h5-8,13-15H,9-12,16H2,1-4H3,(H2,29,30,31,34)","RVBKOHXUJOXQIW-UHFFFAOYSA-N",null,212]
["D13452",16124,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570822","COc1nc(Nc2cc(ncn2)-c2cc(C#N)c(OC3CCOCC3)cn2)ccc1C(=O)N(C)C","InChI=1S/C24H25N7O4/c1-31(2)24(32)17-4-5-21(30-23(17)33-3)29-22-11-19(27-14-28-22)18-10-15(12-25)20(13-26-18)35-16-6-8-34-9-7-16/h4-5,10-11,13-14,16H,6-9H2,1-3H3,(H,27,28,29,30)","LODHYLKZQBDIKO-UHFFFAOYSA-N",null,"<100"]
["D13453",16217,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570817","COc1nc(Nc2cc(ncn2)-c2cc(C#N)c(OC3CCOCC3)cn2)ccc1N1CCN(C)CC1","InChI=1S/C26H30N8O3/c1-33-7-9-34(10-8-33)22-3-4-24(32-26(22)35-2)31-25-14-21(29-17-30-25)20-13-18(15-27)23(16-28-20)37-19-5-11-36-12-6-19/h3-4,13-14,16-17,19H,5-12H2,1-2H3,(H,29,30,31,32)","VUINUZWBYJDULT-UHFFFAOYSA-N",null,"<100"]
["D13454",16179,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570884","COc1nc(Nc2cc(ncn2)-c2ccc(NC3CCOCC3)c(c2)C#N)ccc1C(=O)N(C)C","InChI=1S/C25H27N7O3/c1-32(2)25(33)19-5-7-22(31-24(19)34-3)30-23-13-21(27-15-28-23)16-4-6-20(17(12-16)14-26)29-18-8-10-35-11-9-18/h4-7,12-13,15,18,29H,8-11H2,1-3H3,(H,27,28,30,31)","NFNZCOUMRVCRHR-UHFFFAOYSA-N",null,"<100"]
["D13455",16734,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570835","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(C)C3)c(c2)C#N)ccc1C(=O)N(C)C","InChI=1S/C25H27N7O3/c1-31(2)25(33)19-6-8-22(30-24(19)34-4)29-23-12-20(27-15-28-23)16-5-7-21(17(11-16)13-26)35-18-9-10-32(3)14-18/h5-8,11-12,15,18H,9-10,14H2,1-4H3,(H,27,28,29,30)","CYKQBRKJEQQTHD-UHFFFAOYSA-N",null,550]
["D13456",17284,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570837","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(C)CC3)c(c2)C#N)ccc1C(=O)N(C)C","InChI=1S/C26H29N7O3/c1-32(2)26(34)20-6-8-23(31-25(20)35-4)30-24-14-21(28-16-29-24)17-5-7-22(18(13-17)15-27)36-19-9-11-33(3)12-10-19/h5-8,13-14,16,19H,9-12H2,1-4H3,(H,28,29,30,31)","OBKNTUHALFJBOF-UHFFFAOYSA-N",null,3000]
["D13457",16137,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570844","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(CC3(F)F)C(=O)OC(C)(C)C)c(c2)C#N)ccc1C(=O)N(C)C","InChI=1S/C30H33F2N7O5/c1-29(2,3)44-28(41)39-12-11-23(30(31,32)16-39)43-22-9-7-18(13-19(22)15-33)21-14-25(35-17-34-21)36-24-10-8-20(26(37-24)42-6)27(40)38(4)5/h7-10,13-14,17,23H,11-12,16H2,1-6H3,(H,34,35,36,37)","IKOOPCDKSVLOQG-UHFFFAOYSA-N",null,"<100"]
["D13458",16146,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570854","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(CC3(F)F)C(=O)OC(C)(C)C)c(c2)C#N)ccc1N1CCN(C)CC1","InChI=1S/C32H38F2N8O4/c1-31(2,3)46-30(43)42-11-10-26(32(33,34)19-42)45-25-8-6-21(16-22(25)18-35)23-17-28(37-20-36-23)38-27-9-7-24(29(39-27)44-5)41-14-12-40(4)13-15-41/h6-9,16-17,20,26H,10-15,19H2,1-5H3,(H,36,37,38,39)","HGUHVUCBIFBHKA-UHFFFAOYSA-N",null,"<100"]
["D13459",16151,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570860","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(CC3(F)F)C(=O)OC(C)(C)C)c(c2)C#N)ccc1N1CCN(C)C[C@@H]1C","InChI=1S/C33H40F2N8O4/c1-21-18-41(5)13-14-43(21)25-8-10-28(40-30(25)45-6)39-29-16-24(37-20-38-29)22-7-9-26(23(15-22)17-36)46-27-11-12-42(19-33(27,34)35)31(44)47-32(2,3)4/h7-10,15-16,20-21,27H,11-14,18-19H2,1-6H3,(H,37,38,39,40)/t21-,27?/m0/s1","ZYVUGMXVVIWZKK-LWAJAQLZSA-N",null,"<100"]
["D13460",16152,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570861","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(CC3(F)F)C(=O)OC(C)(C)C)c(c2)C#N)ccc1N1CCN(C)C[C@H]1C","InChI=1S/C33H40F2N8O4/c1-21-18-41(5)13-14-43(21)25-8-10-28(40-30(25)45-6)39-29-16-24(37-20-38-29)22-7-9-26(23(15-22)17-36)46-27-11-12-42(19-33(27,34)35)31(44)47-32(2,3)4/h7-10,15-16,20-21,27H,11-14,18-19H2,1-6H3,(H,37,38,39,40)/t21-,27?/m1/s1","ZYVUGMXVVIWZKK-XJQHNOHDSA-N",null,"<100"]
["D13461",16172,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570877","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(CC3(F)F)C(=O)OC(C)(C)C)c(c2)C#N)ccc1N1CCN(C)[C@@H](C)C1","InChI=1S/C33H40F2N8O4/c1-21-18-42(14-13-41(21)5)25-8-10-28(40-30(25)45-6)39-29-16-24(37-20-38-29)22-7-9-26(23(15-22)17-36)46-27-11-12-43(19-33(27,34)35)31(44)47-32(2,3)4/h7-10,15-16,20-21,27H,11-14,18-19H2,1-6H3,(H,37,38,39,40)/t21-,27?/m0/s1","OKMJJSJYCLYGHQ-LWAJAQLZSA-N",null,"<100"]
["D13462",16165,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570870","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(CC3(F)F)C(=O)OC(C)(C)C)c(c2)C#N)ccc1N1CCN(C)[C@H](C)C1","InChI=1S/C33H40F2N8O4/c1-21-18-42(14-13-41(21)5)25-8-10-28(40-30(25)45-6)39-29-16-24(37-20-38-29)22-7-9-26(23(15-22)17-36)46-27-11-12-43(19-33(27,34)35)31(44)47-32(2,3)4/h7-10,15-16,20-21,27H,11-14,18-19H2,1-6H3,(H,37,38,39,40)/t21-,27?/m1/s1","OKMJJSJYCLYGHQ-XJQHNOHDSA-N",null,"<100"]
["D13463",16168,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570873","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(CC3(F)F)C(=O)OC(C)(C)C)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C34H40F2N8O5/c1-33(2,3)49-32(45)44-10-9-28(34(35,36)20-44)48-27-7-5-22(15-23(27)17-37)25-16-30(39-21-38-25)40-29-8-6-26(31(41-29)46-4)43-13-11-42(12-14-43)24-18-47-19-24/h5-8,15-16,21,24,28H,9-14,18-20H2,1-4H3,(H,38,39,40,41)","HHCGQXRQRQOVCU-UHFFFAOYSA-N",null,"<100"]
["D13464",16155,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570864","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(CC3(F)F)C(=O)OC(C)(C)C)c(c2)C#N)ccc1N1CCN(C[C@@H]1C)C1COC1","InChI=1S/C35H42F2N8O5/c1-22-17-43(25-18-48-19-25)12-13-45(22)27-7-9-30(42-32(27)47-5)41-31-15-26(39-21-40-31)23-6-8-28(24(14-23)16-38)49-29-10-11-44(20-35(29,36)37)33(46)50-34(2,3)4/h6-9,14-15,21-22,25,29H,10-13,17-20H2,1-5H3,(H,39,40,41,42)/t22-,29?/m0/s1","IFZAGDKGLFWMIY-RBQQCVMASA-N",null,"<100"]
["D13465",16161,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570866","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(CC3(F)F)C(=O)OC(C)(C)C)c(c2)C#N)ccc1N1CCN(C[C@H]1C)C1COC1","InChI=1S/C35H42F2N8O5/c1-22-17-43(25-18-48-19-25)12-13-45(22)27-7-9-30(42-32(27)47-5)41-31-15-26(39-21-40-31)23-6-8-28(24(14-23)16-38)49-29-10-11-44(20-35(29,36)37)33(46)50-34(2,3)4/h6-9,14-15,21-22,25,29H,10-13,17-20H2,1-5H3,(H,39,40,41,42)/t22-,29?/m1/s1","IFZAGDKGLFWMIY-DMDVIOLWSA-N",null,"<100"]
["D13466",16189,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570894","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(CC3(F)F)C(=O)[C@@H](C)O)c(c2)C#N)ccc1C1CCN(CC1)C1COC1","InChI=1S/C33H37F2N7O5/c1-20(43)32(44)42-12-9-28(33(34,35)18-42)47-27-5-3-22(13-23(27)15-36)26-14-30(38-19-37-26)39-29-6-4-25(31(40-29)45-2)21-7-10-41(11-8-21)24-16-46-17-24/h3-6,13-14,19-21,24,28,43H,7-12,16-18H2,1-2H3,(H,37,38,39,40)/t20-,28?/m1/s1","ZWRBWAXATYXROO-HFLPEKOISA-N",null,"<100"]
["D13467",16154,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570863","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(CC3(F)F)C(=O)[C@@H](C)O)c(c2)C#N)ccc1N1CCN(C)C[C@H]1C","InChI=1S/C31H36F2N8O4/c1-19-16-39(3)11-12-41(19)24-6-8-27(38-29(24)44-4)37-28-14-23(35-18-36-28)21-5-7-25(22(13-21)15-34)45-26-9-10-40(17-31(26,32)33)30(43)20(2)42/h5-8,13-14,18-20,26,42H,9-12,16-17H2,1-4H3,(H,35,36,37,38)/t19-,20-,26?/m1/s1","ITQPFOUWZQMOGZ-FUHTXCSMSA-N",null,"<100"]
["D13468",16173,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570878","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(CC3(F)F)C(=O)[C@@H](C)O)c(c2)C#N)ccc1N1CCN(C)[C@@H](C)C1","InChI=1S/C31H36F2N8O4/c1-19-16-40(12-11-39(19)3)24-6-8-27(38-29(24)44-4)37-28-14-23(35-18-36-28)21-5-7-25(22(13-21)15-34)45-26-9-10-41(17-31(26,32)33)30(43)20(2)42/h5-8,13-14,18-20,26,42H,9-12,16-17H2,1-4H3,(H,35,36,37,38)/t19-,20+,26?/m0/s1","JUSREPNZCAYINS-LUOUWCQUSA-N",null,"<100"]
["D13469",16167,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570872","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(CC3(F)F)C(=O)[C@@H](C)O)c(c2)C#N)ccc1N1CCN(C)[C@H](C)C1","InChI=1S/C31H36F2N8O4/c1-19-16-40(12-11-39(19)3)24-6-8-27(38-29(24)44-4)37-28-14-23(35-18-36-28)21-5-7-25(22(13-21)15-34)45-26-9-10-41(17-31(26,32)33)30(43)20(2)42/h5-8,13-14,18-20,26,42H,9-12,16-17H2,1-4H3,(H,35,36,37,38)/t19-,20-,26?/m1/s1","JUSREPNZCAYINS-FUHTXCSMSA-N",null,"<100"]
["D13470",16169,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570874","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(CC3(F)F)C(=O)[C@@H](C)O)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C32H36F2N8O5/c1-20(43)31(44)42-8-7-27(32(33,34)18-42)47-26-5-3-21(13-22(26)15-35)24-14-29(37-19-36-24)38-28-6-4-25(30(39-28)45-2)41-11-9-40(10-12-41)23-16-46-17-23/h3-6,13-14,19-20,23,27,43H,7-12,16-18H2,1-2H3,(H,36,37,38,39)/t20-,27?/m1/s1","LJJWKMYVEPVUNH-ACVCQEAVSA-N",null,"<100"]
["D13471",16160,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570865","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(CC3(F)F)C(=O)[C@@H](C)O)c(c2)C#N)ccc1N1CCN(C[C@@H]1C)C1COC1","InChI=1S/C33H38F2N8O5/c1-20-15-41(24-16-47-17-24)10-11-43(20)26-5-7-29(40-31(26)46-3)39-30-13-25(37-19-38-30)22-4-6-27(23(12-22)14-36)48-28-8-9-42(18-33(28,34)35)32(45)21(2)44/h4-7,12-13,19-21,24,28,44H,8-11,15-18H2,1-3H3,(H,37,38,39,40)/t20-,21+,28?/m0/s1","UGRYSOVXPRCGEQ-PBJGFXAXSA-N",null,"<100"]
["D13472",16162,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570867","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(CC3(F)F)C(=O)[C@@H](C)O)c(c2)C#N)ccc1N1CCN(C[C@H]1C)C1COC1","InChI=1S/C33H38F2N8O5/c1-20-15-41(24-16-47-17-24)10-11-43(20)26-5-7-29(40-31(26)46-3)39-30-13-25(37-19-38-30)22-4-6-27(23(12-22)14-36)48-28-8-9-42(18-33(28,34)35)32(45)21(2)44/h4-7,12-13,19-21,24,28,44H,8-11,15-18H2,1-3H3,(H,37,38,39,40)/t20-,21-,28?/m1/s1","UGRYSOVXPRCGEQ-HGQPVNBUSA-N",null,"<100"]
["D13473",16176,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570881","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(CC3(F)F)C(=O)[C@H](C)O)c(c2)C#N)ccc1C1CCN(CC1)C1COC1","InChI=1S/C33H37F2N7O5/c1-20(43)32(44)42-12-9-28(33(34,35)18-42)47-27-5-3-22(13-23(27)15-36)26-14-30(38-19-37-26)39-29-6-4-25(31(40-29)45-2)21-7-10-41(11-8-21)24-16-46-17-24/h3-6,13-14,19-21,24,28,43H,7-12,16-18H2,1-2H3,(H,37,38,39,40)/t20-,28?/m0/s1","ZWRBWAXATYXROO-CQHAJPFMSA-N",null,"<100"]
["D13474",16150,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570859","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(CC3(F)F)C(=O)[C@H](C)O)c(c2)C#N)ccc1N1CCN(C)C[C@@H]1C","InChI=1S/C31H36F2N8O4/c1-19-16-39(3)11-12-41(19)24-6-8-27(38-29(24)44-4)37-28-14-23(35-18-36-28)21-5-7-25(22(13-21)15-34)45-26-9-10-40(17-31(26,32)33)30(43)20(2)42/h5-8,13-14,18-20,26,42H,9-12,16-17H2,1-4H3,(H,35,36,37,38)/t19-,20-,26?/m0/s1","ITQPFOUWZQMOGZ-JRPFNRNASA-N",null,"<100"]
["D13475",16153,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570862","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(CC3(F)F)C(=O)[C@H](C)O)c(c2)C#N)ccc1N1CCN(C)C[C@H]1C","InChI=1S/C31H36F2N8O4/c1-19-16-39(3)11-12-41(19)24-6-8-27(38-29(24)44-4)37-28-14-23(35-18-36-28)21-5-7-25(22(13-21)15-34)45-26-9-10-40(17-31(26,32)33)30(43)20(2)42/h5-8,13-14,18-20,26,42H,9-12,16-17H2,1-4H3,(H,35,36,37,38)/t19-,20+,26?/m1/s1","ITQPFOUWZQMOGZ-YJIDZIMYSA-N",null,"<100"]
["D13476",16174,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570879","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(CC3(F)F)C(=O)[C@H](C)O)c(c2)C#N)ccc1N1CCN(C)[C@@H](C)C1","InChI=1S/C31H36F2N8O4/c1-19-16-40(12-11-39(19)3)24-6-8-27(38-29(24)44-4)37-28-14-23(35-18-36-28)21-5-7-25(22(13-21)15-34)45-26-9-10-41(17-31(26,32)33)30(43)20(2)42/h5-8,13-14,18-20,26,42H,9-12,16-17H2,1-4H3,(H,35,36,37,38)/t19-,20-,26?/m0/s1","JUSREPNZCAYINS-JRPFNRNASA-N",null,"<100"]
["D13477",16166,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570871","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(CC3(F)F)C(=O)[C@H](C)O)c(c2)C#N)ccc1N1CCN(C)[C@H](C)C1","InChI=1S/C31H36F2N8O4/c1-19-16-40(12-11-39(19)3)24-6-8-27(38-29(24)44-4)37-28-14-23(35-18-36-28)21-5-7-25(22(13-21)15-34)45-26-9-10-41(17-31(26,32)33)30(43)20(2)42/h5-8,13-14,18-20,26,42H,9-12,16-17H2,1-4H3,(H,35,36,37,38)/t19-,20+,26?/m1/s1","JUSREPNZCAYINS-YJIDZIMYSA-N",null,"<100"]
["D13478",16170,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570875","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(CC3(F)F)C(=O)[C@H](C)O)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C32H36F2N8O5/c1-20(43)31(44)42-8-7-27(32(33,34)18-42)47-26-5-3-21(13-22(26)15-35)24-14-29(37-19-36-24)38-28-6-4-25(30(39-28)45-2)41-11-9-40(10-12-41)23-16-46-17-23/h3-6,13-14,19-20,23,27,43H,7-12,16-18H2,1-2H3,(H,36,37,38,39)/t20-,27?/m0/s1","LJJWKMYVEPVUNH-SVQMELKDSA-N",null,"<100"]
["D13479",16164,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570869","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(CC3(F)F)C(=O)[C@H](C)O)c(c2)C#N)ccc1N1CCN(C[C@@H]1C)C1COC1","InChI=1S/C33H38F2N8O5/c1-20-15-41(24-16-47-17-24)10-11-43(20)26-5-7-29(40-31(26)46-3)39-30-13-25(37-19-38-30)22-4-6-27(23(12-22)14-36)48-28-8-9-42(18-33(28,34)35)32(45)21(2)44/h4-7,12-13,19-21,24,28,44H,8-11,15-18H2,1-3H3,(H,37,38,39,40)/t20-,21-,28?/m0/s1","UGRYSOVXPRCGEQ-JZWCYJMLSA-N",null,"<100"]
["D13480",16163,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570868","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(CC3(F)F)C(=O)[C@H](C)O)c(c2)C#N)ccc1N1CCN(C[C@H]1C)C1COC1","InChI=1S/C33H38F2N8O5/c1-20-15-41(24-16-47-17-24)10-11-43(20)26-5-7-29(40-31(26)46-3)39-30-13-25(37-19-38-30)22-4-6-27(23(12-22)14-36)48-28-8-9-42(18-33(28,34)35)32(45)21(2)44/h4-7,12-13,19-21,24,28,44H,8-11,15-18H2,1-3H3,(H,37,38,39,40)/t20-,21+,28?/m1/s1","UGRYSOVXPRCGEQ-HLZACMRGSA-N",null,"<100"]
["D13481",16141,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570849","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(CC3)C(=O)C(C)O)c(c2)C#N)ccc1N1CCN(C)CC1","InChI=1S/C30H36N8O4/c1-20(39)30(40)38-10-8-23(9-11-38)42-26-6-4-21(16-22(26)18-31)24-17-28(33-19-32-24)34-27-7-5-25(29(35-27)41-3)37-14-12-36(2)13-15-37/h4-7,16-17,19-20,23,39H,8-15H2,1-3H3,(H,32,33,34,35)","DSCWNKICDCCVGK-UHFFFAOYSA-N",null,"<100"]
["D13482",16140,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570848","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(CC3)C(=O)CO)c(c2)C#N)ccc1N1CCN(C)CC1","InChI=1S/C29H34N8O4/c1-35-11-13-36(14-12-35)24-4-6-26(34-29(24)40-2)33-27-16-23(31-19-32-27)20-3-5-25(21(15-20)17-30)41-22-7-9-37(10-8-22)28(39)18-38/h3-6,15-16,19,22,38H,7-14,18H2,1-2H3,(H,31,32,33,34)","OKFAALFWANYRTK-UHFFFAOYSA-N",null,"<100"]
["D13483",16132,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570838","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(CC3)C(=O)OC(C)(C)C)c(c2)C#N)ccc1C(=O)N(C)C","InChI=1S/C30H35N7O5/c1-30(2,3)42-29(39)37-13-11-21(12-14-37)41-24-9-7-19(15-20(24)17-31)23-16-26(33-18-32-23)34-25-10-8-22(27(35-25)40-6)28(38)36(4)5/h7-10,15-16,18,21H,11-14H2,1-6H3,(H,32,33,34,35)","LJPVNMQWTKVBON-UHFFFAOYSA-N",null,"<100"]
["D13484",16139,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570846","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(CC3)C(=O)OC(C)(C)C)c(c2)C#N)ccc1N1CCN(C)CC1","InChI=1S/C32H40N8O4/c1-32(2,3)44-31(41)40-12-10-24(11-13-40)43-27-8-6-22(18-23(27)20-33)25-19-29(35-21-34-25)36-28-9-7-26(30(37-28)42-5)39-16-14-38(4)15-17-39/h6-9,18-19,21,24H,10-17H2,1-5H3,(H,34,35,36,37)","HSTCZBIJGXTJBW-UHFFFAOYSA-N",null,"<100"]
["D13485",16133,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570839","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(CC3)C(=O)c3cnco3)c(c2)C#N)ccc1C(=O)N(C)C","InChI=1S/C29H28N8O5/c1-36(2)28(38)21-5-7-25(35-27(21)40-3)34-26-13-22(32-16-33-26)18-4-6-23(19(12-18)14-30)42-20-8-10-37(11-9-20)29(39)24-15-31-17-41-24/h4-7,12-13,15-17,20H,8-11H2,1-3H3,(H,32,33,34,35)","HDKBKXPXXFSOHV-UHFFFAOYSA-N",null,"<100"]
["D13486",16144,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570852","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(CC3)C(=O)c3cnco3)c(c2)C#N)ccc1N1CCN(C)CC1","InChI=1S/C31H33N9O4/c1-38-11-13-39(14-12-38)25-4-6-28(37-30(25)42-2)36-29-16-24(34-19-35-29)21-3-5-26(22(15-21)17-32)44-23-7-9-40(10-8-23)31(41)27-18-33-20-43-27/h3-6,15-16,18-20,23H,7-14H2,1-2H3,(H,34,35,36,37)","UCMOMDLWBLWJHR-UHFFFAOYSA-N",null,"<100"]
["D13487",16134,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570840","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(CC3)C(=O)c3cocn3)c(c2)C#N)ccc1C(=O)N(C)C","InChI=1S/C29H28N8O5/c1-36(2)28(38)21-5-7-25(35-27(21)40-3)34-26-13-22(31-16-32-26)18-4-6-24(19(12-18)14-30)42-20-8-10-37(11-9-20)29(39)23-15-41-17-33-23/h4-7,12-13,15-17,20H,8-11H2,1-3H3,(H,31,32,34,35)","PIKOSAKDRCGYBS-UHFFFAOYSA-N",null,"<100"]
["D13488",16142,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570850","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(CC3)C(=O)c3cocn3)c(c2)C#N)ccc1N1CCN(C)CC1","InChI=1S/C31H33N9O4/c1-38-11-13-39(14-12-38)26-4-6-28(37-30(26)42-2)36-29-16-24(33-19-34-29)21-3-5-27(22(15-21)17-32)44-23-7-9-40(10-8-23)31(41)25-18-43-20-35-25/h3-6,15-16,18-20,23H,7-14H2,1-2H3,(H,33,34,36,37)","WYQBDQDKZJTISF-UHFFFAOYSA-N",null,"<100"]
["D13489",16135,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570841","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(CC3)C(=O)c3n[nH]c(C)n3)c(c2)C#N)ccc1C(=O)N(C)C","InChI=1S/C29H30N10O4/c1-17-33-26(37-36-17)29(41)39-11-9-20(10-12-39)43-23-7-5-18(13-19(23)15-30)22-14-25(32-16-31-22)34-24-8-6-21(27(35-24)42-4)28(40)38(2)3/h5-8,13-14,16,20H,9-12H2,1-4H3,(H,33,36,37)(H,31,32,34,35)","IYVWMDHJZGNESQ-UHFFFAOYSA-N",null,"<100"]
["D13490",16143,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570851","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCN(CC3)C(=O)c3n[nH]c(C)n3)c(c2)C#N)ccc1N1CCN(C)CC1","InChI=1S/C31H35N11O3/c1-20-35-29(39-38-20)31(43)42-10-8-23(9-11-42)45-26-6-4-21(16-22(26)18-32)24-17-28(34-19-33-24)36-27-7-5-25(30(37-27)44-3)41-14-12-40(2)13-15-41/h4-7,16-17,19,23H,8-15H2,1-3H3,(H,35,38,39)(H,33,34,36,37)","WUESTOUXEOQFJK-UHFFFAOYSA-N",null,"<100"]
["D13491",16198,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570795","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1C(=O)N(C)C","InChI=1S/C25H26N6O4/c1-31(2)25(32)19-5-7-22(30-24(19)33-3)29-23-13-20(27-15-28-23)16-4-6-21(17(12-16)14-26)35-18-8-10-34-11-9-18/h4-7,12-13,15,18H,8-11H2,1-3H3,(H,27,28,29,30)","MBTRZCCYKAACEG-UHFFFAOYSA-N",null,"<100"]
["D13492",16199,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570796","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1C(=O)N(C)CCO","InChI=1S/C26H28N6O5/c1-32(9-10-33)26(34)20-4-6-23(31-25(20)35-2)30-24-14-21(28-16-29-24)17-3-5-22(18(13-17)15-27)37-19-7-11-36-12-8-19/h3-6,13-14,16,19,33H,7-12H2,1-2H3,(H,28,29,30,31)","WSDMJYQAWXFYHD-UHFFFAOYSA-N",null,"<100"]
["D13493",16182,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570887","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1C(=O)N1C2CCCC1COC2","InChI=1S/C30H32N6O5/c1-38-29-24(30(37)36-21-3-2-4-22(36)17-40-16-21)6-8-27(35-29)34-28-14-25(32-18-33-28)19-5-7-26(20(13-19)15-31)41-23-9-11-39-12-10-23/h5-8,13-14,18,21-23H,2-4,9-12,16-17H2,1H3,(H,32,33,34,35)","YBPQRONAOSZPMJ-UHFFFAOYSA-N",null,"<100"]
["D13494",16202,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570801","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1C(=O)N1CC2CCC(C1)O2","InChI=1S/C29H30N6O5/c1-37-28-23(29(36)35-15-21-3-4-22(16-35)39-21)5-7-26(34-28)33-27-13-24(31-17-32-27)18-2-6-25(19(12-18)14-30)40-20-8-10-38-11-9-20/h2,5-7,12-13,17,20-22H,3-4,8-11,15-16H2,1H3,(H,31,32,33,34)","DJPDTGPKATUXFI-UHFFFAOYSA-N",null,"<100"]
["D13495",16203,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570802","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1C(=O)N1CC2COCC2C1","InChI=1S/C29H30N6O5/c1-37-28-23(29(36)35-13-20-15-39-16-21(20)14-35)3-5-26(34-28)33-27-11-24(31-17-32-27)18-2-4-25(19(10-18)12-30)40-22-6-8-38-9-7-22/h2-5,10-11,17,20-22H,6-9,13-16H2,1H3,(H,31,32,33,34)","HLRSXCBNYWGMRN-UHFFFAOYSA-N",null,"<100"]
["D13496",16201,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570798","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1C(=O)NC1C2COCC12","InChI=1S/C28H28N6O5/c1-36-28-19(27(35)34-26-20-13-38-14-21(20)26)3-5-24(33-28)32-25-11-22(30-15-31-25)16-2-4-23(17(10-16)12-29)39-18-6-8-37-9-7-18/h2-5,10-11,15,18,20-21,26H,6-9,13-14H2,1H3,(H,34,35)(H,30,31,32,33)","FVEQQLIBNPXSAX-UHFFFAOYSA-N",null,"<100"]
["D13497",16204,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570803","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1C(=O)NC1CCN(C)CC1","InChI=1S/C29H33N7O4/c1-36-11-7-21(8-12-36)33-28(37)23-4-6-26(35-29(23)38-2)34-27-16-24(31-18-32-27)19-3-5-25(20(15-19)17-30)40-22-9-13-39-14-10-22/h3-6,15-16,18,21-22H,7-14H2,1-2H3,(H,33,37)(H,31,32,34,35)","CXCBRVHLGKEGNQ-UHFFFAOYSA-N",null,"<100"]
["D13498",16181,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570886","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1C(=O)NC1CN2CCC1CC2","InChI=1S/C30H33N7O4/c1-39-30-23(29(38)34-25-17-37-10-6-19(25)7-11-37)3-5-27(36-30)35-28-15-24(32-18-33-28)20-2-4-26(21(14-20)16-31)41-22-8-12-40-13-9-22/h2-5,14-15,18-19,22,25H,6-13,17H2,1H3,(H,34,38)(H,32,33,35,36)","ZYQFADFVGCOMDN-UHFFFAOYSA-N",null,"<100"]
["D13499",16180,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570885","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1C(=O)NCCO","InChI=1S/C25H26N6O5/c1-34-25-19(24(33)27-8-9-32)3-5-22(31-25)30-23-13-20(28-15-29-23)16-2-4-21(17(12-16)14-26)36-18-6-10-35-11-7-18/h2-5,12-13,15,18,32H,6-11H2,1H3,(H,27,33)(H,28,29,30,31)","ZFJRTUUKLHTHJL-UHFFFAOYSA-N",null,"<100"]
["D13500",16214,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570814","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1C1CCN(C)CC1","InChI=1S/C28H32N6O3/c1-34-11-7-19(8-12-34)23-4-6-26(33-28(23)35-2)32-27-16-24(30-18-31-27)20-3-5-25(21(15-20)17-29)37-22-9-13-36-14-10-22/h3-6,15-16,18-19,22H,7-14H2,1-2H3,(H,30,31,32,33)","PWLBCDUMJCZWSL-UHFFFAOYSA-N",null,"<100"]
["D13501",16216,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570816","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1C1CCN(C1)C(=O)OC(C)(C)C","InChI=1S/C31H36N6O5/c1-31(2,3)42-30(38)37-12-9-21(18-37)24-6-8-27(36-29(24)39-4)35-28-16-25(33-19-34-28)20-5-7-26(22(15-20)17-32)41-23-10-13-40-14-11-23/h5-8,15-16,19,21,23H,9-14,18H2,1-4H3,(H,33,34,35,36)","UIVJPNBYOLBFHH-UHFFFAOYSA-N",null,"<100"]
["D13502",16730,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570823","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1C1CCN(CC(F)(F)F)CC1","InChI=1S/C29H31F3N6O3/c1-39-28-23(19-6-10-38(11-7-19)17-29(30,31)32)3-5-26(37-28)36-27-15-24(34-18-35-27)20-2-4-25(21(14-20)16-33)41-22-8-12-40-13-9-22/h2-5,14-15,18-19,22H,6-13,17H2,1H3,(H,34,35,36,37)","HDPFOBSEWXADBZ-UHFFFAOYSA-N",null,550]
["D13503",16125,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570824","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1C1CCN(CC(F)F)CC1","InChI=1S/C29H32F2N6O3/c1-38-29-23(19-6-10-37(11-7-19)17-26(30)31)3-5-27(36-29)35-28-15-24(33-18-34-28)20-2-4-25(21(14-20)16-32)40-22-8-12-39-13-9-22/h2-5,14-15,18-19,22,26H,6-13,17H2,1H3,(H,33,34,35,36)","GMYZJFREYCDUFL-UHFFFAOYSA-N",null,"<100"]
["D13504",16213,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570813","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1C1CCN(CC1)C(=O)OC(C)(C)C","InChI=1S/C32H38N6O5/c1-32(2,3)43-31(39)38-13-9-21(10-14-38)25-6-8-28(37-30(25)40-4)36-29-18-26(34-20-35-29)22-5-7-27(23(17-22)19-33)42-24-11-15-41-16-12-24/h5-8,17-18,20-21,24H,9-16H2,1-4H3,(H,34,35,36,37)","OYBJXCSNEGRUAM-UHFFFAOYSA-N",null,"<100"]
["D13505",16215,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570815","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1CNC1CCN(C)CC1","InChI=1S/C29H35N7O3/c1-36-11-7-23(8-12-36)31-18-21-4-6-27(35-29(21)37-2)34-28-16-25(32-19-33-28)20-3-5-26(22(15-20)17-30)39-24-9-13-38-14-10-24/h3-6,15-16,19,23-24,31H,7-14,18H2,1-2H3,(H,32,33,34,35)","WEBNNAULOWHGIB-UHFFFAOYSA-N",null,"<100"]
["D13506",16209,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570809","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1N(C)CC(=O)N(C)C","InChI=1S/C27H31N7O4/c1-33(2)26(35)16-34(3)22-6-8-24(32-27(22)36-4)31-25-14-21(29-17-30-25)18-5-7-23(19(13-18)15-28)38-20-9-11-37-12-10-20/h5-8,13-14,17,20H,9-12,16H2,1-4H3,(H,29,30,31,32)","OQAPRARGPCAERS-UHFFFAOYSA-N",null,"<100"]
["D13507",16207,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570807","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1N(C)CCN(C)C","InChI=1S/C27H33N7O3/c1-33(2)11-12-34(3)23-6-8-25(32-27(23)35-4)31-26-16-22(29-18-30-26)19-5-7-24(20(15-19)17-28)37-21-9-13-36-14-10-21/h5-8,15-16,18,21H,9-14H2,1-4H3,(H,29,30,31,32)","JRKCDPOUKMRYKL-UHFFFAOYSA-N",null,"<100"]
["D13508",16208,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570808","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1N1CCN(C)CC1","InChI=1S/C27H31N7O3/c1-33-9-11-34(12-10-33)23-4-6-25(32-27(23)35-2)31-26-16-22(29-18-30-26)19-3-5-24(20(15-19)17-28)37-21-7-13-36-14-8-21/h3-6,15-16,18,21H,7-14H2,1-2H3,(H,29,30,31,32)","KBZSZKAGUWZBSE-UHFFFAOYSA-N",null,"<100"]
["D13509",16192,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570897","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C29H33N7O4/c1-37-29-25(36-10-8-35(9-11-36)22-17-39-18-22)3-5-27(34-29)33-28-15-24(31-19-32-28)20-2-4-26(21(14-20)16-30)40-23-6-12-38-13-7-23/h2-5,14-15,19,22-23H,6-13,17-18H2,1H3,(H,31,32,33,34)","CSZUNRWARCJGFU-UHFFFAOYSA-N",null,"<100"]
["D13510",16206,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570806","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1N1CCS(=O)(=O)CC1","InChI=1S/C26H28N6O5S/c1-35-26-22(32-8-12-38(33,34)13-9-32)3-5-24(31-26)30-25-15-21(28-17-29-25)18-2-4-23(19(14-18)16-27)37-20-6-10-36-11-7-20/h2-5,14-15,17,20H,6-13H2,1H3,(H,28,29,30,31)","FPWSPTPMEOUBKI-UHFFFAOYSA-N",null,"<100"]
["D13511",16212,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570812","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1N1C[C@H](C)N(C2COC2)[C@H](C)C1","InChI=1S/C31H37N7O4/c1-20-15-37(16-21(2)38(20)24-17-41-18-24)27-5-7-29(36-31(27)39-3)35-30-13-26(33-19-34-30)22-4-6-28(23(12-22)14-32)42-25-8-10-40-11-9-25/h4-7,12-13,19-21,24-25H,8-11,15-18H2,1-3H3,(H,33,34,35,36)/t20-,21+","CYLAPFBIVXBFBR-OYRHEFFESA-N",null,"<100"]
["D13512",16211,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570811","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1N1C[C@H](C)O[C@H](C)C1","InChI=1S/C28H32N6O4/c1-18-15-34(16-19(2)37-18)24-5-7-26(33-28(24)35-3)32-27-13-23(30-17-31-27)20-4-6-25(21(12-20)14-29)38-22-8-10-36-11-9-22/h4-7,12-13,17-19,22H,8-11,15-16H2,1-3H3,(H,30,31,32,33)/t18-,19+","GDADWAOVOYTQPZ-KDURUIRLSA-N",null,"<100"]
["D13513",17282,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570821","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(n2)C#N)ccc1C1CCN(C)CC1","InChI=1S/C27H31N7O3/c1-34-11-7-18(8-12-34)20-3-6-25(33-27(20)35-2)32-26-15-22(29-17-30-26)21-4-5-24(23(16-28)31-21)37-19-9-13-36-14-10-19/h3-6,15,17-19H,7-14H2,1-2H3,(H,29,30,32,33)","MNWOVMGMMROLCP-UHFFFAOYSA-N",null,3000]
["D13514",16729,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570818","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(n2)C#N)ccc1N1CCN(C)CC1","InChI=1S/C26H30N8O3/c1-33-9-11-34(12-10-33)22-4-6-24(32-26(22)35-2)31-25-15-20(28-17-29-25)19-3-5-23(21(16-27)30-19)37-18-7-13-36-14-8-18/h3-6,15,17-18H,7-14H2,1-2H3,(H,28,29,31,32)","AGRUJTXFZAUTCB-UHFFFAOYSA-N",null,550]
["D13515",16733,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570833","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CN(C)C3)c(c2)C#N)ccc1C(=O)N(C)C","InChI=1S/C24H25N7O3/c1-30(2)24(32)18-6-8-21(29-23(18)33-4)28-22-10-19(26-14-27-22)15-5-7-20(16(9-15)11-25)34-17-12-31(3)13-17/h5-10,14,17H,12-13H2,1-4H3,(H,26,27,28,29)","BMPKLAIDXFLOJP-UHFFFAOYSA-N",null,550]
["D13516",16131,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570834","COc1nc(Nc2cc(ncn2)-c2ccc(OC3CN(C)C3)c(c2)C#N)ccc1N1CCN(C)CC1","InChI=1S/C26H30N8O2/c1-32-8-10-34(11-9-32)22-5-7-24(31-26(22)35-3)30-25-13-21(28-17-29-25)18-4-6-23(19(12-18)14-27)36-20-15-33(2)16-20/h4-7,12-13,17,20H,8-11,15-16H2,1-3H3,(H,28,29,30,31)","KJPAQSKXGPNNTO-UHFFFAOYSA-N",null,"<100"]
["D13517",16148,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570857","COc1nc(Nc2cc(ncn2)-c2ccc(O[C@@H]3CCN(CC3(F)F)C(=O)CO)c(c2)C#N)ccc1N1CCN(C)CC1","InChI=1S/C29H32F2N8O4/c1-37-9-11-38(12-10-37)22-4-6-25(36-28(22)42-2)35-26-14-21(33-18-34-26)19-3-5-23(20(13-19)15-32)43-24-7-8-39(27(41)16-40)17-29(24,30)31/h3-6,13-14,18,24,40H,7-12,16-17H2,1-2H3,(H,33,34,35,36)/t24-/m1/s1","PQVSMJOFKGJBCA-XMMPIXPASA-N",null,"<100"]
["D13518",16188,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570893","COc1nc(Nc2cc(ncn2)-c2ccc(O[C@@H]3CCN(CC3(F)F)C(=O)[C@@H](C)O)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C32H36F2N8O5/c1-20(43)31(44)42-8-7-27(32(33,34)18-42)47-26-5-3-21(13-22(26)15-35)24-14-29(37-19-36-24)38-28-6-4-25(30(39-28)45-2)41-11-9-40(10-12-41)23-16-46-17-23/h3-6,13-14,19-20,23,27,43H,7-12,16-18H2,1-2H3,(H,36,37,38,39)/t20-,27-/m1/s1","LJJWKMYVEPVUNH-NFQMXDRXSA-N",null,"<100"]
["D13519",16191,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570896","COc1nc(Nc2cc(ncn2)-c2ccc(O[C@@H]3CCN(CC3(F)F)C(=O)[C@@H](C)O)c(c2)C#N)ccc1N1CCN(C[C@@H]1C)C1COC1","InChI=1S/C33H38F2N8O5/c1-20-15-41(24-16-47-17-24)10-11-43(20)26-5-7-29(40-31(26)46-3)39-30-13-25(37-19-38-30)22-4-6-27(23(12-22)14-36)48-28-8-9-42(18-33(28,34)35)32(45)21(2)44/h4-7,12-13,19-21,24,28,44H,8-11,15-18H2,1-3H3,(H,37,38,39,40)/t20-,21+,28+/m0/s1","UGRYSOVXPRCGEQ-BALWLHIASA-N",null,"<100"]
["D13520",16186,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570891","COc1nc(Nc2cc(ncn2)-c2ccc(O[C@@H]3CCN(CC3(F)F)C(=O)[C@H](C)O)c(c2)C#N)ccc1C1CCN(CC1)C1COC1","InChI=1S/C33H37F2N7O5/c1-20(43)32(44)42-12-9-28(33(34,35)18-42)47-27-5-3-22(13-23(27)15-36)26-14-30(38-19-37-26)39-29-6-4-25(31(40-29)45-2)21-7-10-41(11-8-21)24-16-46-17-24/h3-6,13-14,19-21,24,28,43H,7-12,16-18H2,1-2H3,(H,37,38,39,40)/t20-,28+/m0/s1","ZWRBWAXATYXROO-WTYVLRPYSA-N",null,"<100"]
["D13521",16184,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570889","COc1nc(Nc2cc(ncn2)-c2ccc(O[C@@H]3CCN(CC3(F)F)C(=O)[C@H](C)O)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C32H36F2N8O5/c1-20(43)31(44)42-8-7-27(32(33,34)18-42)47-26-5-3-21(13-22(26)15-35)24-14-29(37-19-36-24)38-28-6-4-25(30(39-28)45-2)41-11-9-40(10-12-41)23-16-46-17-23/h3-6,13-14,19-20,23,27,43H,7-12,16-18H2,1-2H3,(H,36,37,38,39)/t20-,27+/m0/s1","LJJWKMYVEPVUNH-CCLHPLFOSA-N",null,"<100"]
["D13522",16194,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570899","COc1nc(Nc2cc(ncn2)-c2ccc(O[C@@H]3CCN(CC3(F)F)C(=O)[C@H](C)O)c(c2)C#N)ccc1N1CCN(C[C@@H]1C)C1COC1","InChI=1S/C33H38F2N8O5/c1-20-15-41(24-16-47-17-24)10-11-43(20)26-5-7-29(40-31(26)46-3)39-30-13-25(37-19-38-30)22-4-6-27(23(12-22)14-36)48-28-8-9-42(18-33(28,34)35)32(45)21(2)44/h4-7,12-13,19-21,24,28,44H,8-11,15-18H2,1-3H3,(H,37,38,39,40)/t20-,21-,28+/m0/s1","UGRYSOVXPRCGEQ-YHGPEZAFSA-N",null,"<100"]
["D13523",16196,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570901","COc1nc(Nc2cc(ncn2)-c2ccc(O[C@@H]3CCN(CC3(F)F)C(=O)[C@H](C)O)c(c2)C#N)ccc1N1CCN(C[C@H]1C)C1COC1","InChI=1S/C33H38F2N8O5/c1-20-15-41(24-16-47-17-24)10-11-43(20)26-5-7-29(40-31(26)46-3)39-30-13-25(37-19-38-30)22-4-6-27(23(12-22)14-36)48-28-8-9-42(18-33(28,34)35)32(45)21(2)44/h4-7,12-13,19-21,24,28,44H,8-11,15-18H2,1-3H3,(H,37,38,39,40)/t20-,21+,28-/m1/s1","UGRYSOVXPRCGEQ-PHVLTXCSSA-N",null,"<100"]
["D13524",16187,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570892","COc1nc(Nc2cc(ncn2)-c2ccc(O[C@H]3CCN(CC3(F)F)C(=O)[C@@H](C)O)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C32H36F2N8O5/c1-20(43)31(44)42-8-7-27(32(33,34)18-42)47-26-5-3-21(13-22(26)15-35)24-14-29(37-19-36-24)38-28-6-4-25(30(39-28)45-2)41-11-9-40(10-12-41)23-16-46-17-23/h3-6,13-14,19-20,23,27,43H,7-12,16-18H2,1-2H3,(H,36,37,38,39)/t20-,27+/m1/s1","LJJWKMYVEPVUNH-HRFSGMKKSA-N",null,"<100"]
["D13525",16190,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570895","COc1nc(Nc2cc(ncn2)-c2ccc(O[C@H]3CCN(CC3(F)F)C(=O)[C@@H](C)O)c(c2)C#N)ccc1N1CCN(C[C@@H]1C)C1COC1","InChI=1S/C33H38F2N8O5/c1-20-15-41(24-16-47-17-24)10-11-43(20)26-5-7-29(40-31(26)46-3)39-30-13-25(37-19-38-30)22-4-6-27(23(12-22)14-36)48-28-8-9-42(18-33(28,34)35)32(45)21(2)44/h4-7,12-13,19-21,24,28,44H,8-11,15-18H2,1-3H3,(H,37,38,39,40)/t20-,21+,28-/m0/s1","UGRYSOVXPRCGEQ-GTNJKRJXSA-N",null,"<100"]
["D13526",16185,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570890","COc1nc(Nc2cc(ncn2)-c2ccc(O[C@H]3CCN(CC3(F)F)C(=O)[C@H](C)O)c(c2)C#N)ccc1C1CCN(CC1)C1COC1","InChI=1S/C33H37F2N7O5/c1-20(43)32(44)42-12-9-28(33(34,35)18-42)47-27-5-3-22(13-23(27)15-36)26-14-30(38-19-37-26)39-29-6-4-25(31(40-29)45-2)21-7-10-41(11-8-21)24-16-46-17-24/h3-6,13-14,19-21,24,28,43H,7-12,16-18H2,1-2H3,(H,37,38,39,40)/t20-,28-/m0/s1","ZWRBWAXATYXROO-MMTVBGGISA-N",null,"<100"]
["D13527",16183,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570888","COc1nc(Nc2cc(ncn2)-c2ccc(O[C@H]3CCN(CC3(F)F)C(=O)[C@H](C)O)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C32H36F2N8O5/c1-20(43)31(44)42-8-7-27(32(33,34)18-42)47-26-5-3-21(13-22(26)15-35)24-14-29(37-19-36-24)38-28-6-4-25(30(39-28)45-2)41-11-9-40(10-12-41)23-16-46-17-23/h3-6,13-14,19-20,23,27,43H,7-12,16-18H2,1-2H3,(H,36,37,38,39)/t20-,27-/m0/s1","LJJWKMYVEPVUNH-DCFHFQCYSA-N",null,"<100"]
["D13528",16193,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570898","COc1nc(Nc2cc(ncn2)-c2ccc(O[C@H]3CCN(CC3(F)F)C(=O)[C@H](C)O)c(c2)C#N)ccc1N1CCN(C[C@@H]1C)C1COC1","InChI=1S/C33H38F2N8O5/c1-20-15-41(24-16-47-17-24)10-11-43(20)26-5-7-29(40-31(26)46-3)39-30-13-25(37-19-38-30)22-4-6-27(23(12-22)14-36)48-28-8-9-42(18-33(28,34)35)32(45)21(2)44/h4-7,12-13,19-21,24,28,44H,8-11,15-18H2,1-3H3,(H,37,38,39,40)/t20-,21-,28-/m0/s1","UGRYSOVXPRCGEQ-CZBREUMFSA-N",null,"<100"]
["D13529",16195,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570900","COc1nc(Nc2cc(ncn2)-c2ccc(O[C@H]3CCN(CC3(F)F)C(=O)[C@H](C)O)c(c2)C#N)ccc1N1CCN(C[C@H]1C)C1COC1","InChI=1S/C33H38F2N8O5/c1-20-15-41(24-16-47-17-24)10-11-43(20)26-5-7-29(40-31(26)46-3)39-30-13-25(37-19-38-30)22-4-6-27(23(12-22)14-36)48-28-8-9-42(18-33(28,34)35)32(45)21(2)44/h4-7,12-13,19-21,24,28,44H,8-11,15-18H2,1-3H3,(H,37,38,39,40)/t20-,21+,28+/m1/s1","UGRYSOVXPRCGEQ-GGJMMHKRSA-N",null,"<100"]
["D13530",16136,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570843","COc1nc(Nc2cc(ncn2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)ccc1C(=O)N(C)C","InChI=1S/C27H28FN7O5/c1-34(2)27(38)18-5-7-23(33-26(18)39-3)32-24-11-20(30-15-31-24)16-4-6-21(17(10-16)12-29)40-22-8-9-35(13-19(22)28)25(37)14-36/h4-7,10-11,15,19,22,36H,8-9,13-14H2,1-3H3,(H,30,31,32,33)/t19-,22+/m1/s1","CTHNPGGUWFLKOT-KNQAVFIVSA-N",null,"<100"]
["D13531",16736,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570842","COc1nc(Nc2cc(ncn2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)OC(C)(C)C)c(c2)C#N)ccc1C(=O)N(C)C","InChI=1S/C30H34FN7O5/c1-30(2,3)43-29(40)38-12-11-24(21(31)16-38)42-23-9-7-18(13-19(23)15-32)22-14-26(34-17-33-22)35-25-10-8-20(27(36-25)41-6)28(39)37(4)5/h7-10,13-14,17,21,24H,11-12,16H2,1-6H3,(H,33,34,35,36)/t21-,24+/m1/s1","ZQAHHQOAUDLNLW-QPPBQGQZSA-N",null,550]
["D13532",16145,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570853","COc1nc(Nc2cc(ncn2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)OC(C)(C)C)c(c2)C#N)ccc1N1CCN(C)CC1","InChI=1S/C32H39FN8O4/c1-32(2,3)45-31(42)41-11-10-27(23(33)19-41)44-26-8-6-21(16-22(26)18-34)24-17-29(36-20-35-24)37-28-9-7-25(30(38-28)43-5)40-14-12-39(4)13-15-40/h6-9,16-17,20,23,27H,10-15,19H2,1-5H3,(H,35,36,37,38)/t23-,27+/m1/s1","NKLLXDBYVMYKMP-KCWPFWIISA-N",null,"<100"]
["D13533",16171,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570876","COc1nc(Nc2cc(ncn2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)OC(C)(C)C)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C34H41FN8O5/c1-34(2,3)48-33(44)43-10-9-29(25(35)18-43)47-28-7-5-22(15-23(28)17-36)26-16-31(38-21-37-26)39-30-8-6-27(32(40-30)45-4)42-13-11-41(12-14-42)24-19-46-20-24/h5-8,15-16,21,24-25,29H,9-14,18-20H2,1-4H3,(H,37,38,39,40)/t25-,29+/m1/s1","OCWDXKBLWVZVOO-IRPSRAIASA-N",null,"<100"]
["D13534",16205,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570805","COc1nc(Nc2cc(ncn2)-c2cnc(OC3CCOCC3)c(c2)C#N)ccc1C(=O)N(C)C","InChI=1S/C24H25N7O4/c1-31(2)24(32)18-4-5-20(30-23(18)33-3)29-21-11-19(27-14-28-21)16-10-15(12-25)22(26-13-16)35-17-6-8-34-9-7-17/h4-5,10-11,13-14,17H,6-9H2,1-3H3,(H,27,28,29,30)","OGULFWXFMAZJRS-UHFFFAOYSA-N",null,"<100"]
["D13535",16218,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570819","COc1nc(Nc2cc(ncn2)-c2cnc(OC3CCOCC3)c(c2)C#N)ccc1N1CCN(C)CC1","InChI=1S/C26H30N8O3/c1-33-7-9-34(10-8-33)22-3-4-23(32-26(22)35-2)31-24-14-21(29-17-30-24)19-13-18(15-27)25(28-16-19)37-20-5-11-36-12-6-20/h3-4,13-14,16-17,20H,5-12H2,1-2H3,(H,29,30,31,32)","LXMLDPUVKLWBMZ-UHFFFAOYSA-N",null,"<100"]
["D13536",15451,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144139","COc1nc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1C1=CCNCC1","InChI=1S/C27H28N6O3/c1-34-26-22(18-6-11-29-12-7-18)3-5-25(32-26)33-27-30-13-8-23(31-27)19-2-4-24(20(16-19)17-28)36-21-9-14-35-15-10-21/h2-6,8,13,16,21,29H,7,9-12,14-15H2,1H3,(H,30,31,32,33)","SLCMXEFQPWEZOR-UHFFFAOYSA-N",null,27,{"$nulls":4},7.5,"30.00 C"]
["D13537",16175,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570880","COc1nc(Oc2cc(ncn2)-c2ccc(OC3CCN(CC3(F)F)C(=O)OC(C)(C)C)c(c2)C#N)ccc1C1CCN(CC1)C1COC1","InChI=1S/C35H40F2N6O6/c1-34(2,3)49-33(44)43-14-11-29(35(36,37)20-43)47-28-7-5-23(15-24(28)17-38)27-16-31(40-21-39-27)48-30-8-6-26(32(41-30)45-4)22-9-12-42(13-10-22)25-18-46-19-25/h5-8,15-16,21-22,25,29H,9-14,18-20H2,1-4H3","QMQVKXUWMVRVRD-UHFFFAOYSA-N",null,"<100"]
["D13538",15469,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478911","COc1nc(cc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1)N(C)C","InChI=1S/C27H30F3N9O2/c1-37(2)23-14-20(34-26(36-23)41-3)18-4-5-19-21(13-18)33-25(32-19)35-22-12-17(6-7-31-22)16-38-8-10-39(11-9-38)24(40)15-27(28,29)30/h4-7,12-14H,8-11,15-16H2,1-3H3,(H2,31,32,33,35)","PLUGCDOJPNXIRN-UHFFFAOYSA-N",null,28.6]
["D13539",3483,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565008","COc1nc(ncc1C)-n1ncc2CC(CCc2c1=O)c1ccc(C)cc1C","InChI=1S/C22H24N4O2/c1-13-5-7-18(14(2)9-13)16-6-8-19-17(10-16)12-24-26(21(19)27)22-23-11-15(3)20(25-22)28-4/h5,7,9,11-12,16H,6,8,10H2,1-4H3","TYIMZCORNGAJMZ-UHFFFAOYSA-N",null,"<500"]
["D13540",17867,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569848","COc1ncc(cc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D13541",17881,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569862","COc1ncc(cc1Cl)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D13542",17253,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478312","COc1nccc(c1C)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C28H31N7O2/c1-18-22(8-10-30-26(18)37-2)21-5-6-23-24(16-21)32-28(31-23)33-25-15-19(7-9-29-25)17-34-11-13-35(14-12-34)27(36)20-3-4-20/h5-10,15-16,20H,3-4,11-14,17H2,1-2H3,(H2,29,31,32,33)","RQRBVPQAKYDZPK-UHFFFAOYSA-N",null,2260]
["D13543",16542,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478405","COc1nccc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)cc(n3)C(F)(F)F)[nH]c2c1","InChI=1S/C27H27F3N8O2/c1-40-26-31-7-6-19(34-26)18-4-5-20-21(14-18)33-25(32-20)36-23-13-16(12-22(35-23)27(28,29)30)15-37-8-10-38(11-9-37)24(39)17-2-3-17/h4-7,12-14,17H,2-3,8-11,15H2,1H3,(H2,32,33,35,36)","LDSZTEGENUGWMV-UHFFFAOYSA-N",null,346]
["D13544",15892,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478404","COc1nccc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C26H28N8O2/c1-36-26-28-9-7-20(31-26)19-4-5-21-22(15-19)30-25(29-21)32-23-14-17(6-8-27-23)16-33-10-12-34(13-11-33)24(35)18-2-3-18/h4-9,14-15,18H,2-3,10-13,16H2,1H3,(H2,27,29,30,32)","UFKWDEGBSSNESS-UHFFFAOYSA-N",null,64.5]
["D13545",16403,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478401","COc1nccc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CCC4)ccn3)[nH]c2c1","InChI=1S/C27H30N8O2/c1-37-27-29-10-8-21(32-27)20-5-6-22-23(16-20)31-26(30-22)33-24-15-18(7-9-28-24)17-34-11-13-35(14-12-34)25(36)19-3-2-4-19/h5-10,15-16,19H,2-4,11-14,17H2,1H3,(H2,28,30,31,33)","LIUHEEXHAGZLGV-UHFFFAOYSA-N",null,218]
["D13546",15945,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478403","COc1nccc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C25H25F3N8O2/c1-38-24-30-7-5-18(33-24)17-2-3-19-20(13-17)32-23(31-19)34-21-12-16(4-6-29-21)15-35-8-10-36(11-9-35)22(37)14-25(26,27)28/h2-7,12-13H,8-11,14-15H2,1H3,(H2,29,31,32,34)","PKKCWRLOVZRLEQ-UHFFFAOYSA-N",null,79]
["D13547",15997,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478402","COc1nccc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC4CC4)ccn3)[nH]c2c1","InChI=1S/C27H30N8O2/c1-37-27-29-9-7-21(32-27)20-4-5-22-23(16-20)31-26(30-22)33-24-14-19(6-8-28-24)17-34-10-12-35(13-11-34)25(36)15-18-2-3-18/h4-9,14,16,18H,2-3,10-13,15,17H2,1H3,(H2,28,30,31,33)","KYWUPCXXUFVZKO-UHFFFAOYSA-N",null,96.7]
["D13548",16351,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478400","COc1nccc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C27H32N8O3/c1-27(2,3)38-26(36)35-13-11-34(12-14-35)17-18-7-9-28-23(15-18)33-24-30-21-6-5-19(16-22(21)31-24)20-8-10-29-25(32-20)37-4/h5-10,15-16H,11-14,17H2,1-4H3,(H2,28,30,31,33)","ALKAVFOZFTUFIZ-UHFFFAOYSA-N",null,174]
["D13549",17416,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478325","COc1ncccc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C27H29N7O2/c1-36-25-21(3-2-9-29-25)20-6-7-22-23(16-20)31-27(30-22)32-24-15-18(8-10-28-24)17-33-11-13-34(14-12-33)26(35)19-4-5-19/h2-3,6-10,15-16,19H,4-5,11-14,17H2,1H3,(H2,28,30,31,32)","NGDKJRSYNCGYQK-UHFFFAOYSA-N",null,3810]
["D13550",16537,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478323","COc1ncccc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C26H26F3N7O2/c1-38-24-19(3-2-7-31-24)18-4-5-20-21(14-18)33-25(32-20)34-22-13-17(6-8-30-22)16-35-9-11-36(12-10-35)23(37)15-26(27,28)29/h2-8,13-14H,9-12,15-16H2,1H3,(H2,30,32,33,34)","JUZJIPXSAPYHLR-UHFFFAOYSA-N",null,339]
["D13551",16588,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478324","COc1ncccc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC4CC4)ccn3)[nH]c2c1","InChI=1S/C28H31N7O2/c1-37-27-22(3-2-9-30-27)21-6-7-23-24(17-21)32-28(31-23)33-25-15-20(8-10-29-25)18-34-11-13-35(14-12-34)26(36)16-19-4-5-19/h2-3,6-10,15,17,19H,4-5,11-14,16,18H2,1H3,(H2,29,31,32,33)","WUDWZVCRGABTDO-UHFFFAOYSA-N",null,401]
["D13552",12124,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM53766","COc1nn(cc1[N+]([O-])=O)C(C)C(=O)N\\[NH+]=C\\c1cc(Br)cc(OC)c1[O-]","InChI=1S/C15H16BrN5O6/c1-8(20-7-11(21(24)25)15(19-20)27-3)14(23)18-17-6-9-4-10(16)5-12(26-2)13(9)22/h4-8,22H,1-3H3,(H,18,23)/b17-6+","LNYRXTMMCOETEA-UBKPWBPPSA-N",null,5205]
["D13553",15926,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478522","COc1nnc(Cl)cc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C26H27ClN8O2/c1-37-24-19(14-22(27)32-33-24)18-4-5-20-21(13-18)30-26(29-20)31-23-12-16(6-7-28-23)15-34-8-10-35(11-9-34)25(36)17-2-3-17/h4-7,12-14,17H,2-3,8-11,15H2,1H3,(H2,28,29,30,31)","OBVGCRHVCNBQER-UHFFFAOYSA-N",null,72.2]
["D13554",15660,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478521","COc1nnccc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C26H28N8O2/c1-36-24-20(7-9-28-32-24)19-4-5-21-22(15-19)30-26(29-21)31-23-14-17(6-8-27-23)16-33-10-12-34(13-11-33)25(35)18-2-3-18/h4-9,14-15,18H,2-3,10-13,16H2,1H3,(H2,27,29,30,31)","BPNUKUZFLNRXLJ-UHFFFAOYSA-N",null,32.5]
["D13555",4335,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66277","COc1oc(nc1C(F)(F)F)-c1ccccc1","InChI=1S/C11H8F3NO2/c1-16-10-8(11(12,13)14)15-9(17-10)7-5-3-2-4-6-7/h2-6H,1H3","GXZPKCTUWACFKY-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13556",4986,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50174527","CP(O)(=O)CC[C@H](N)C(O)=O","InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1","IAJOBQBIJHVGMQ-BYPYZUCNSA-N",{"$nulls":3},">500000"]
["D13557",14747,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278260","CS(=N)(=O)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(CC3(F)F)C=O)c(c2)C#N)cc1","InChI=1S/C23H21F2N7O3S/c1-36(27,34)18-5-3-17(4-6-18)30-22-29-13-28-21(31-22)15-2-7-19(16(10-15)11-26)35-20-8-9-32(14-33)12-23(20,24)25/h2-7,10,13-14,20,27H,8-9,12H2,1H3,(H,28,29,30,31)/t20-,36?/m0/s1","VBVBCPLRKQJABM-PIPNLDLUSA-N",null,5]
["D13558",15458,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278050","CS(=O)(=O)C1CN(C1)c1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C27H30N8O3S/c1-39(36,37)24-14-35(15-24)25-7-2-19(12-20(25)13-28)26-29-18-30-27(32-26)31-21-3-5-22(6-4-21)33-8-10-34(11-9-33)23-16-38-17-23/h2-7,12,18,23-24H,8-11,14-17H2,1H3,(H,29,30,31,32)","SQALYOIAMIIQQR-UHFFFAOYSA-N",null,28]
["D13559",14592,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278327","CS(=O)(=O)CC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C31H35FN8O5S/c1-46(42,43)19-29(41)40-9-8-28(26(32)16-40)45-27-7-2-21(14-22(27)15-33)30-34-20-35-31(37-30)36-23-3-5-24(6-4-23)38-10-12-39(13-11-38)25-17-44-18-25/h2-7,14,20,25-26,28H,8-13,16-19H2,1H3,(H,34,35,36,37)/t26-,28+/m1/s1","KXFQOKBDLYGEOS-IAPPQJPRSA-N",null,4]
["D13560",31382,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Cyclin-dependent kinase 11A","Homo sapiens","BDBM50440018","CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1","InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(25)13-17-33(24)26-10-14-29-28(31-26)30-21-8-6-20(7-9-21)27(35)32-15-11-22(34)12-16-32/h2,4-5,10,13-14,17,20-22,34H,3,6-9,11-12,15-16,18-19H2,1H3,(H,29,30,31)/t20-,21-","NXWXUDHOUKWAQU-MEMLXQNLSA-N",null,null,2400]
["D13561",15487,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246001","CS(=O)(=O)CCNCc1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1","InChI=1S/C23H25FN8O2S/c1-35(33,34)9-7-26-13-19-2-3-20(14-28-19)30-23-27-6-4-21(31-23)17-10-16(11-25)22(29-12-17)32-8-5-18(24)15-32/h2-4,6,10,12,14,18,26H,5,7-9,13,15H2,1H3,(H,27,30,31)/t18-/m0/s1","ZRDNEJLPQNHMEE-SFHVURJKSA-N",null,"<30",{"$nulls":4},7.5]
["D13562",25885,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM5445","CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1","InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)","BCFGMOOMADDAQU-UHFFFAOYSA-N",null,null,">10000"]
["D13563",12432,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42948","CS(=O)(=O)N(CC(=O)NCc1ccncc1)Cc1ccc(Cl)cc1","InChI=1S/C16H18ClN3O3S/c1-24(22,23)20(11-14-2-4-15(17)5-3-14)12-16(21)19-10-13-6-8-18-9-7-13/h2-9H,10-12H2,1H3,(H,19,21)","QZYGFPXRYNFRMF-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D13564",16289,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278051","CS(=O)(=O)N1CC(C1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C27H30N8O4S/c1-40(36,37)35-14-24(15-35)39-25-7-2-19(12-20(25)13-28)26-29-18-30-27(32-26)31-21-3-5-22(6-4-21)33-8-10-34(11-9-33)23-16-38-17-23/h2-7,12,18,23-24H,8-11,14-17H2,1H3,(H,29,30,31,32)","XPGRTKIRPMEPMH-UHFFFAOYSA-N",null,139]
["D13565",15351,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277061","CS(=O)(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(nc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C28H29N7O4S/c1-40(36,37)35-10-8-23(9-11-35)39-24-7-4-20(16-21(24)17-29)25-26-28(31-18-30-25)33-27(32-26)19-2-5-22(6-3-19)34-12-14-38-15-13-34/h2-7,16,18,23H,8-15H2,1H3,(H,30,31,32,33)","QGJLQLCMVKXZNB-UHFFFAOYSA-N",null,19.8,{"$nulls":4},7]
["D13566",17120,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277844","CS(=O)(=O)N1CCN(CC1)c1ccc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cc1","InChI=1S/C26H29N7O4S/c1-38(34,35)33-12-10-32(11-13-33)22-5-3-21(4-6-22)30-26-29-18-28-25(31-26)19-2-7-24(20(16-19)17-27)37-23-8-14-36-15-9-23/h2-7,16,18,23H,8-15H2,1H3,(H,28,29,30,31)","OOKBEGBHZWHIHI-UHFFFAOYSA-N",null,2000,{"$nulls":4},7]
["D13567",18302,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276869","CS(=O)(=O)N1CCN(CC1)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C30H31N5O4S/c1-40(36,37)35-14-12-34(13-15-35)24-5-2-21(3-6-24)28-19-27-26(8-11-32-30(27)33-28)22-4-7-29(23(18-22)20-31)39-25-9-16-38-17-10-25/h2-8,11,18-19,25H,9-10,12-17H2,1H3,(H,32,33)","JRRFVMCKPCBTAC-UHFFFAOYSA-N",null,2.84]
["D13568",15556,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277024","CS(=O)(=O)N1CCN(CC1)c1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C29H30N6O4S/c1-40(36,37)35-12-10-34(11-13-35)23-5-2-20(3-6-23)26-17-25-28(31-19-32-29(25)33-26)21-4-7-27(22(16-21)18-30)39-24-8-14-38-15-9-24/h2-7,16-17,19,24H,8-15H2,1H3,(H,31,32,33)","QWYHRICWXDLXPS-UHFFFAOYSA-N",null,1.42,{"$nulls":4},7]
["D13569",25932,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM25028","CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1","InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)","LHNIIDJUOCFXAP-UHFFFAOYSA-N",null,null,">10000"]
["D13570",15441,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277975","CS(=O)(=O)N1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H32N8O4S/c1-41(37,38)36-9-8-25(16-36)40-26-7-2-20(14-21(26)15-29)27-30-19-31-28(33-27)32-22-3-5-23(6-4-22)34-10-12-35(13-11-34)24-17-39-18-24/h2-7,14,19,24-25H,8-13,16-18H2,1H3,(H,30,31,32,33)/t25-/m1/s1","AQTFPLJMEGCPSJ-RUZDIDTESA-N",null,26]
["D13571",4482,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66452","CS(=O)(=O)Nc1ccc(cc1)C1=NN(C(C1)c1ccccc1)S(C)(=O)=O","InChI=1S/C17H19N3O4S2/c1-25(21,22)19-15-10-8-13(9-11-15)16-12-17(14-6-4-3-5-7-14)20(18-16)26(2,23)24/h3-11,17,19H,12H2,1-2H3","GFFSJYBFMGNFNC-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13572",3843,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66769","CS(=O)(=O)Nc1ccc(cc1)C1=NN(C(C1)c1cccs1)C(=O)c1cccc(F)c1","InChI=1S/C21H18FN3O3S2/c1-30(27,28)24-17-9-7-14(8-10-17)18-13-19(20-6-3-11-29-20)25(23-18)21(26)15-4-2-5-16(22)12-15/h2-12,19,24H,13H2,1H3","NZRKYZLPCBBBRQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13573",14418,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50463479","CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1","InChI=1S/C19H17N5O3S2/c1-29(26,27)24-13-5-2-4-12(8-13)9-17(25)23-19-22-16(11-28-19)15-10-21-18-14(15)6-3-7-20-18/h2-8,10-11,24H,9H2,1H3,(H,20,21)(H,22,23,25)","HIUHVDROHDSKTC-UHFFFAOYSA-N",">2000"]
["D13574",15408,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278054","CS(=O)(=O)OC1CN(C1)c1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C27H30N8O4S/c1-40(36,37)39-24-14-35(15-24)25-7-2-19(12-20(25)13-28)26-29-18-30-27(32-26)31-21-3-5-22(6-4-21)33-8-10-34(11-9-33)23-16-38-17-23/h2-7,12,18,23-24H,8-11,14-17H2,1H3,(H,29,30,31,32)","XCDXRGSHYFJGLG-UHFFFAOYSA-N",null,23]
["D13575",14724,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277835","CS(=O)(=O)c1ccc(Nc2ncnc(n2)-c2ccc(OC3CCN(CC3)C(=O)CO)c(c2)C#N)cc1","InChI=1S/C24H24N6O5S/c1-36(33,34)20-5-3-18(4-6-20)28-24-27-15-26-23(29-24)16-2-7-21(17(12-16)13-25)35-19-8-10-30(11-9-19)22(32)14-31/h2-7,12,15,19,31H,8-11,14H2,1H3,(H,26,27,28,29)","BKPUHGLQZAVNHO-UHFFFAOYSA-N",null,5]
["D13576",14722,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277828","CS(=O)(=O)c1ccc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cc1","InChI=1S/C22H21N5O4S/c1-32(28,29)19-5-3-17(4-6-19)26-22-25-14-24-21(27-22)15-2-7-20(16(12-15)13-23)31-18-8-10-30-11-9-18/h2-7,12,14,18H,8-11H2,1H3,(H,24,25,26,27)","MYHTWQOXKYXFQX-UHFFFAOYSA-N",null,5]
["D13577",12320,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87268","CS(=O)(=O)c1ccc(Sc2nc3ccccc3s2)c(c1)[N+]([O-])=O","InChI=1S/C14H10N2O4S3/c1-23(19,20)9-6-7-13(11(8-9)16(17)18)22-14-15-10-4-2-3-5-12(10)21-14/h2-8H,1H3","WEKHSHMCROYTRB-UHFFFAOYSA-N",null,">35871"]
["D13578",14574,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276856","CS(=O)(=O)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C26H23N3O4S/c1-34(30,31)21-5-2-17(3-6-21)24-15-23-22(8-11-28-26(23)29-24)18-4-7-25(19(14-18)16-27)33-20-9-12-32-13-10-20/h2-8,11,14-15,20H,9-10,12-13H2,1H3,(H,28,29)","WMGMGJHVTOJFFS-UHFFFAOYSA-N",null,3.75]
["D13579",16906,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278262","CS(=O)(=O)c1ccc(cc1)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C23H26N6O3S/c1-33(30,31)21-8-2-17(3-9-21)22-24-16-25-23(27-22)26-18-4-6-19(7-5-18)28-10-12-29(13-11-28)20-14-32-15-20/h2-9,16,20H,10-15H2,1H3,(H,24,25,26,27)","XDCKRBDBDXPRDX-UHFFFAOYSA-N",null,1000]
["D13580",3632,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50255293","CS(=O)(=O)c1ccc(cc1)C(O)P(O)(=O)CC[C@H](N)C(O)=O","InChI=1S/C12H18NO7PS/c1-22(19,20)9-4-2-8(3-5-9)12(16)21(17,18)7-6-10(13)11(14)15/h2-5,10,12,16H,6-7,13H2,1H3,(H,14,15)(H,17,18)/t10-,12?/m0/s1","OEKGPRKVGMSCTI-NUHJPDEHSA-N",{"$nulls":3},">100000"]
["D13581",32290,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446025","CS(=O)(=O)c1ccc(cc1)N1CCN(CC1)C(=O)N1CCOCC1","InChI=1S/C16H23N3O4S/c1-24(21,22)15-4-2-14(3-5-15)17-6-8-18(9-7-17)16(20)19-10-12-23-13-11-19/h2-5H,6-13H2,1H3","DBPAFWMBSKHHSG-UHFFFAOYSA-N",null,">30000"]
["D13582",16468,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277015","CS(=O)(=O)c1ccc(cc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C25H22N4O3S/c1-33(30,31)24-7-4-18(14-19(24)16-26)21-8-9-27-25-22(21)15-23(28-25)17-2-5-20(6-3-17)29-10-12-32-13-11-29/h2-9,14-15H,10-13H2,1H3,(H,27,28)","PHCZAGCCUDZWIS-UHFFFAOYSA-N",null,275]
["D13583",15572,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148076","CS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccc(N3CCCC3)c(c2)C#N)c1","InChI=1S/C22H21N5O2S/c1-30(28,29)19-6-4-5-18(14-19)25-22-24-10-9-20(26-22)16-7-8-21(17(13-16)15-23)27-11-2-3-12-27/h4-10,13-14H,2-3,11-12H2,1H3,(H,24,25,26)","AFKVDWIIFZEFRI-UHFFFAOYSA-N",null,"<30",{"$nulls":4},7.5]
["D13584",31806,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43524","CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1","InChI=1S/C12H8F4N2O2S/c1-21(19,20)11-17-9(6-10(18-11)12(14,15)16)7-2-4-8(13)5-3-7/h2-6H,1H3","FABYEEIARBZBHO-UHFFFAOYSA-N",null,12050]
["D13585",31707,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM31063","CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1","InChI=1S/C12H9F3N2O2S/c1-20(18,19)11-16-9(8-5-3-2-4-6-8)7-10(17-11)12(13,14)15/h2-7H,1H3","HZSJKGMPEXGXBV-UHFFFAOYSA-N",null,9973]
["D13586",4261,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM31064","CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1","InChI=1S/C10H7F3N2O3S/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3","DYLWYHLPRCPPQD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13587",4774,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66694","CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(OC(F)F)cc1","InChI=1S/C13H10ClF2N3O4S/c1-24(21,22)13-17-6-9(14)10(19-13)11(20)18-7-2-4-8(5-3-7)23-12(15)16/h2-6,12H,1H3,(H,18,20)","UTVPLVUQRIIVPD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13588",4252,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66253","CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)N1CCOCC1","InChI=1S/C16H17ClN4O4S/c1-26(23,24)16-18-10-13(17)14(20-16)15(22)19-11-2-4-12(5-3-11)21-6-8-25-9-7-21/h2-5,10H,6-9H2,1H3,(H,19,22)","PIMBKNQXYLCURE-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13589",4731,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM54828","CS(=O)(=O)c1sc(C#N)c2CC(CC(=O)c12)c1ccccc1","InChI=1S/C16H13NO3S2/c1-22(19,20)16-15-12(14(9-17)21-16)7-11(8-13(15)18)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3","XCRQNUSEZCAJHA-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13590",25902,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM13336","CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1","InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)","CDMGBJANTYXAIV-UHFFFAOYSA-N",null,null,">10000"]
["D13591",12267,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM39009","CS(=O)c1nc(cc(-c2ccccc2)c1C#N)-c1ccc(Br)cc1","InChI=1S/C19H13BrN2OS/c1-24(23)19-17(12-21)16(13-5-3-2-4-6-13)11-18(22-19)14-7-9-15(20)10-8-14/h2-11H,1H3","GIJMFAXZRUVIID-UHFFFAOYSA-N",null,17070]
["D13592",4742,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66666","CSC(SC)=C(C#N)C(=O)c1ccccc1","InChI=1S/C12H11NOS2/c1-15-12(16-2)10(8-13)11(14)9-6-4-3-5-7-9/h3-7H,1-2H3","WPJMZDZXZRCHOP-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13593",11833,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42986","CSC1=NC(C)(C)CC2(CC(Oc3cc(O)ccc23)c2ccccc2)N1","InChI=1S/C21H24N2O2S/c1-20(2)13-21(23-19(22-20)26-3)12-18(14-7-5-4-6-8-14)25-17-11-15(24)9-10-16(17)21/h4-11,18,24H,12-13H2,1-3H3,(H,22,23)","IKQVAWAYEBGDCK-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D13594",2665,"7ad1_A",0.3,"Spike glycoprotein,Envelope glycoprotein,Spike glycoprotein,Envelope glycoprotein,SARS-CoV-2 S protein","Class E basic helix-loop-helix protein 22","Mus musculus","BDBM81943","CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CCC(N)=O)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)CC(O)=O)C(C)C)C(C)C)C(N)=O","InChI=1S/C59H95N15O18S/c1-30(2)24-38(53(86)66-35(49(63)82)20-23-93-7)65-44(77)28-64-58(91)47(31(3)4)72-55(88)39(25-33-14-9-8-10-15-33)69-52(85)37(18-19-43(62)76)67-54(87)40(27-46(80)81)70-56(89)41(29-75)71-51(84)36(16-11-12-21-60)68-57(90)42-17-13-22-74(42)59(92)48(32(5)6)73-50(83)34(61)26-45(78)79/h8-10,14-15,30-32,34-42,47-48,75H,11-13,16-29,60-61H2,1-7H3,(H2,62,76)(H2,63,82)(H,64,91)(H,65,77)(H,66,86)(H,67,87)(H,68,90)(H,69,85)(H,70,89)(H,71,84)(H,72,88)(H,73,83)(H,78,79)(H,80,81)","NXTPETCPVNEEOP-UHFFFAOYSA-N",0.5]
["D13595",2666,"7ad1_A",0.3,"Spike glycoprotein,Envelope glycoprotein,Spike glycoprotein,Envelope glycoprotein,SARS-CoV-2 S protein","Class E basic helix-loop-helix protein 22","Mus musculus","BDBM81942","CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CO)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(N)Cc1cnc[nH]1)C(C)O)C(C)C)C(N)=O","InChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69)","HEAUFJZALFKPBA-UHFFFAOYSA-N",0.5]
["D13596",2667,"7ad1_A",0.3,"Spike glycoprotein,Envelope glycoprotein,Spike glycoprotein,Envelope glycoprotein,SARS-CoV-2 S protein","Class E basic helix-loop-helix protein 22","Mus musculus","BDBM81944","CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(O)=O)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCSC)NC(=O)C(N)CC(O)=O)C(C)C)C(N)=O","InChI=1S/C55H79N13O14S2/c1-30(2)21-38(50(77)62-36(47(57)74)17-19-83-5)61-43(69)28-59-55(82)46(31(3)4)68-54(81)40(23-33-15-11-8-12-16-33)65-51(78)39(22-32-13-9-7-10-14-32)64-53(80)42(26-45(72)73)67-52(79)41(24-34-27-58-29-60-34)66-49(76)37(18-20-84-6)63-48(75)35(56)25-44(70)71/h7-16,27,29-31,35-42,46H,17-26,28,56H2,1-6H3,(H2,57,74)(H,58,60)(H,59,82)(H,61,69)(H,62,77)(H,63,75)(H,64,80)(H,65,78)(H,66,76)(H,67,79)(H,68,81)(H,70,71)(H,72,73)","NHXYSAFTNPANFK-UHFFFAOYSA-N",10]
["D13597",4005,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66908","CSCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)NCCc1c[nH]c2ccccc12","InChI=1S/C22H27N3O3S2/c1-16-7-9-18(10-8-16)30(27,28)25-21(12-14-29-2)22(26)23-13-11-17-15-24-20-6-4-3-5-19(17)20/h3-10,15,21,24-25H,11-14H2,1-2H3,(H,23,26)","LOKYWESSMYIPST-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13598",11848,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43000","CSCCNC(C)=O","InChI=1S/C5H11NOS/c1-5(7)6-3-4-8-2/h3-4H2,1-2H3,(H,6,7)","OPEGPBVNAJOJNQ-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D13599",2668,"7ad1_A",0.3,"Spike glycoprotein,Envelope glycoprotein,Spike glycoprotein,Envelope glycoprotein,SARS-CoV-2 S protein","Class E basic helix-loop-helix protein 22","Mus musculus","BDBM50281563","CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)C1CCC(=O)N1)C(N)=O","InChI=1S/C58H84N14O16S/c1-31(2)25-39(54(84)66-36(49(61)79)21-24-89-4)65-47(76)30-62-51(81)40(27-34-15-17-35(73)18-16-34)68-55(85)41(26-33-11-6-5-7-12-33)69-53(83)37(13-8-9-22-59)67-56(86)42(28-45(60)74)70-57(87)44-14-10-23-72(44)58(88)43(29-48(77)78)71-50(80)32(3)63-52(82)38-19-20-46(75)64-38/h5-7,11-12,15-18,31-32,36-44,73H,8-10,13-14,19-30,59H2,1-4H3,(H2,60,74)(H2,61,79)(H,62,81)(H,63,82)(H,64,75)(H,65,76)(H,66,84)(H,67,86)(H,68,85)(H,69,83)(H,70,87)(H,71,80)(H,77,78)/t32-,36-,37-,38?,39-,40-,41-,42-,43-,44-/m0/s1","SHSUJLMLURFKID-CURCQMQKSA-N",17]
["D13600",2669,"7ad1_A",0.3,"Spike glycoprotein,Envelope glycoprotein,Spike glycoprotein,Envelope glycoprotein,SARS-CoV-2 S protein","Class E basic helix-loop-helix protein 22","Mus musculus","BDBM50001450","CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O","InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1","ADNPLDHMAVUMIW-CUZNLEPHSA-N",47]
["D13601",4532,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66489","CSCc1[nH]c(=S)n(c1O)-c1ccc(C)cc1","InChI=1S/C12H14N2OS2/c1-8-3-5-9(6-4-8)14-11(15)10(7-17-2)13-12(14)16/h3-6,15H,7H2,1-2H3,(H,13,16)","WAUNBDZELFAAAM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13602",11841,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42994","CSc1cc(-c2ccc(Cl)cc2)n(Cc2ccccc2)c(=O)c1C#N","InChI=1S/C20H15ClN2OS/c1-25-19-11-18(15-7-9-16(21)10-8-15)23(20(24)17(19)12-22)13-14-5-3-2-4-6-14/h2-11H,13H2,1H3","YWHWNHGFSBAGEA-UHFFFAOYSA-N",{"$nulls":3},80680]
["D13603",15046,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478640","CSc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C26H28N8OS/c1-36-24-14-21(28-16-29-24)19-4-5-20-22(13-19)31-26(30-20)32-23-12-17(6-7-27-23)15-33-8-10-34(11-9-33)25(35)18-2-3-18/h4-7,12-14,16,18H,2-3,8-11,15H2,1H3,(H2,27,30,31,32)","SNEXGUYNIIKRKB-UHFFFAOYSA-N",null,9.5]
["D13604",14857,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478639","CSc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C25H25F3N8OS/c1-38-22-12-19(30-15-31-22)17-2-3-18-20(11-17)33-24(32-18)34-21-10-16(4-5-29-21)14-35-6-8-36(9-7-35)23(37)13-25(26,27)28/h2-5,10-12,15H,6-9,13-14H2,1H3,(H2,29,32,33,34)","ZKFIYTZFWPPQSW-UHFFFAOYSA-N",null,6.6]
["D13605",15725,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478650","CSc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C27H32N8O2S/c1-27(2,3)37-26(36)35-11-9-34(10-12-35)16-18-7-8-28-23(13-18)33-25-31-20-6-5-19(14-22(20)32-25)21-15-24(38-4)30-17-29-21/h5-8,13-15,17H,9-12,16H2,1-4H3,(H2,28,31,32,33)","WBYXOJVNDOIJLB-UHFFFAOYSA-N",null,39]
["D13606",3978,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66884","CSc1ccc(CCNC(=O)CCc2nnc3ccc(NCCCN4CCCC4=O)nn23)cc1","InChI=1S/C24H31N7O2S/c1-34-19-7-5-18(6-8-19)13-15-26-23(32)12-11-22-28-27-21-10-9-20(29-31(21)22)25-14-3-17-30-16-2-4-24(30)33/h5-10H,2-4,11-17H2,1H3,(H,25,29)(H,26,32)","HYKJBRNHVOPKAF-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13607",3984,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66890","CSc1ccc(CNC(=O)Cn2nc(C)c3c(C)n(nc3c2=O)-c2ccc(C)cc2)cc1","InChI=1S/C24H25N5O2S/c1-15-5-9-19(10-6-15)29-17(3)22-16(2)26-28(24(31)23(22)27-29)14-21(30)25-13-18-7-11-20(32-4)12-8-18/h5-12H,13-14H2,1-4H3,(H,25,30)","QHMHMPIRNKWEFL-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13608",32080,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46367","CSc1ccc(NC(=O)N2CCN(CC2)c2nc3ccccc3s2)cc1","InChI=1S/C19H20N4OS2/c1-25-15-8-6-14(7-9-15)20-18(24)22-10-12-23(13-11-22)19-21-16-4-2-3-5-17(16)26-19/h2-9H,10-13H2,1H3,(H,20,24)","CCFJVQJFPXUOIA-UHFFFAOYSA-N",null,">55700"]
["D13609",4784,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66703","CSc1ccc(cc1)C(c1c(C)[nH][nH]c1=O)c1c(C)[nH][nH]c1=O","InChI=1S/C16H14N4O2S/c1-8-12(15(21)19-17-8)14(13-9(2)18-20-16(13)22)10-4-6-11(23-3)7-5-10/h4-7,14H,1-3H3","LWQYYJRRDIHTFU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13610",3781,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66714","CSc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NCCc1ccccc1","InChI=1S/C21H26N2O3S2/c1-27-19-7-9-20(10-8-19)28(25,26)23-15-12-18(13-16-23)21(24)22-14-11-17-5-3-2-4-6-17/h2-10,18H,11-16H2,1H3,(H,22,24)","RRHGCBPXRIPTEO-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13611",3934,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66849","CSc1cccc(NS(=O)(=O)c2cn(C)cn2)c1","InChI=1S/C11H13N3O2S2/c1-14-7-11(12-8-14)18(15,16)13-9-4-3-5-10(6-9)17-2/h3-8,13H,1-2H3","SQYCZNSWAUEYEH-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13612",25883,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM6568","CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1","InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)","VAARYSWULJUGST-UHFFFAOYSA-N",null,null,">10000"]
["D13613",4258,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66258","CSc1ccccc1NC(=O)CCn1c2ccccc2sc1=O","InChI=1S/C17H16N2O2S2/c1-22-14-8-4-2-6-12(14)18-16(20)10-11-19-13-7-3-5-9-15(13)23-17(19)21/h2-9H,10-11H2,1H3,(H,18,20)","RHPIWHJDZJBCIB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13614",12436,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM50228094","CSc1ccccc1NC(=O)Cn1c(nc2ccccc12)-c1cscn1","InChI=1S/C19H16N4OS2/c1-25-17-9-5-3-7-14(17)21-18(24)10-23-16-8-4-2-6-13(16)22-19(23)15-11-26-12-20-15/h2-9,11-12H,10H2,1H3,(H,21,24)","MKXADKWNFKWNQP-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D13615",3927,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66842","CSc1ccccc1NC(=O)c1ccc(N2CC3CC(C2)c2cccc(=O)n2C3)c(NC(=O)c2cccnc2)c1","InChI=1S/C31H29N5O3S/c1-40-28-9-3-2-7-24(28)33-30(38)21-11-12-27(25(15-21)34-31(39)22-6-5-13-32-16-22)35-17-20-14-23(19-35)26-8-4-10-29(37)36(26)18-20/h2-13,15-16,20,23H,14,17-19H2,1H3,(H,33,38)(H,34,39)","WGRHOOQRFYSYHG-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13616",4706,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66635","CSc1nc(N)c(N=Nc2ccc(cc2)[As](O)(O)=O)c(=O)[nH]1","InChI=1S/C11H12AsN5O4S/c1-22-11-14-9(13)8(10(18)15-11)17-16-7-4-2-6(3-5-7)12(19,20)21/h2-5H,1H3,(H2,19,20,21)(H3,13,14,15,18)/b17-16+","UDSHJJLSLFLOEZ-WUKNDPDISA-N",{"$nulls":3},">350000"]
["D13617",31430,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Cyclin-dependent kinase 11B","Homo sapiens","BDBM205483","CSc1nc(N)cc(Oc2ccc(cc2)-c2nnc(Nc3cccc(c3)C(F)(F)F)[nH]2)n1","InChI=1S/C20H16F3N7OS/c1-32-19-26-15(24)10-16(27-19)31-14-7-5-11(6-8-14)17-28-18(30-29-17)25-13-4-2-3-12(9-13)20(21,22)23/h2-10H,1H3,(H2,24,26,27)(H2,25,28,29,30)","CMYHZFCJPORPHY-UHFFFAOYSA-N",null,null,7500,{"$nulls":3},7.4,"25.00 C"]
["D13618",12416,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM40970","CSc1nc2ccc3nc(NC(=O)c4cccs4)sc3c2s1","InChI=1S/C14H9N3OS4/c1-19-14-16-8-5-4-7-10(11(8)22-14)21-13(15-7)17-12(18)9-3-2-6-20-9/h2-6H,1H3,(H,15,17,18)","CSRRIYMZCVJAAV-UHFFFAOYSA-N",{"$nulls":3},33210]
["D13619",16827,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478520","CSc1ncc(cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C26H28N8OS/c1-36-26-28-14-20(15-29-26)19-4-5-21-22(13-19)31-25(30-21)32-23-12-17(6-7-27-23)16-33-8-10-34(11-9-33)24(35)18-2-3-18/h4-7,12-15,18H,2-3,8-11,16H2,1H3,(H2,27,30,31,32)","LCDGAQWMIZXQKL-UHFFFAOYSA-N",null,840]
["D13620",17022,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478518","CSc1ncc(cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C25H25F3N8OS/c1-38-24-30-13-18(14-31-24)17-2-3-19-20(11-17)33-23(32-19)34-21-10-16(4-5-29-21)15-35-6-8-36(9-7-35)22(37)12-25(26,27)28/h2-5,10-11,13-14H,6-9,12,15H2,1H3,(H2,29,32,33,34)","MGHKGAODIHIFOC-UHFFFAOYSA-N",null,1430]
["D13621",16964,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478519","CSc1ncc(cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC4CC4)ccn3)[nH]c2c1","InChI=1S/C27H30N8OS/c1-37-27-29-15-21(16-30-27)20-4-5-22-23(14-20)32-26(31-22)33-24-12-19(6-7-28-24)17-34-8-10-35(11-9-34)25(36)13-18-2-3-18/h4-7,12,14-16,18H,2-3,8-11,13,17H2,1H3,(H2,28,31,32,33)","KXOPNFCOFNDHPN-UHFFFAOYSA-N",null,1020]
["D13622",3767,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66377","CSc1nnc(-c2cc3c(nn(C)c3s2)-c2ccccc2)n1C","InChI=1S/C16H15N5S2/c1-20-14(17-18-16(20)22-3)12-9-11-13(10-7-5-4-6-8-10)19-21(2)15(11)23-12/h4-9H,1-3H3","XMZXFBNWTRFDHM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D13623",12332,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM64413","C[C@@H](C(=O)Nc1ccc2OCCOc2c1)n1c(=O)[nH]c2ccccc2c1=O","InChI=1S/C19H17N3O5/c1-11(22-18(24)13-4-2-3-5-14(13)21-19(22)25)17(23)20-12-6-7-15-16(10-12)27-9-8-26-15/h2-7,10-11H,8-9H2,1H3,(H,20,23)(H,21,25)/t11-/m0/s1","YGIIBGUHCCDVKE-NSHDSACASA-N",null,">35876"]
["D13624",5097,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Macrophage scavenger receptor types I and II","Homo sapiens","BDBM50292391","C[C@@H](CCC=C(C)C)c1c(O)c(O)c(C)c2nc3ccccc3nc12","InChI=1S/C21H24N2O2/c1-12(2)8-7-9-13(3)17-19-18(14(4)20(24)21(17)25)22-15-10-5-6-11-16(15)23-19/h5-6,8,10-11,13,24-25H,7,9H2,1-4H3/t13-/m0/s1","DLURXLKBFFIUFB-ZDUSSCGKSA-N",null,71000]
["D13625",439,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326389","C[C@@H](CN)CC1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C16H20N4O2/c1-11(8-17)6-12-7-16(12,15(21)22)13-9-20(10-19-13)14-4-2-3-5-18-14/h2-5,9-12H,6-8,17H2,1H3,(H,21,22)/t11-,12?,16-/m1/s1","FKDQZBMTXAMQNM-DLTQXHKRSA-N",null,11]
["D13626",13645,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19262487","C[C@@H](CN)CC1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccn2","InChI=1S/C16H20N4O2/c1-11(8-17)6-12-7-16(12,15(21)22)13-9-20(10-19-13)14-4-2-3-5-18-14/h2-5,9-12H,6-8,17H2,1H3,(H,21,22)/t11-,12?,16-/m1/s2","FKDQZBMTXAMQNM-DLTQXHKRSA-N",-10012.1595227968,49.2991158899469,33635.0215808522,{"$nulls":3},6.73728197422358]
["D13627",399,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109265","C[C@@H](CN)C[C@@H](Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O","InChI=1S/C17H29N3O2/c1-12-3-5-16(6-4-12)20-10-15(19-11-20)8-14(17(21)22)7-13(2)9-18/h10-14,16H,3-9,18H2,1-2H3,(H,21,22)/t12-,13-,14+,16-/m1/s1","OMGSNJPCQBNRPB-HGTKMLMNSA-N",null,5.1]
["D13628",618,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326394","C[C@@H](CN)C[C@@H]1C[C@@]1(C(O)=O)c1cn(cn1)-c1ccc(C)cn1","InChI=1S/C17H22N4O2/c1-11-3-4-15(19-8-11)21-9-14(20-10-21)17(16(22)23)6-13(17)5-12(2)7-18/h3-4,8-10,12-13H,5-7,18H2,1-2H3,(H,22,23)/t12-,13-,17+/m1/s1","AAEAYCWJPQORII-XNJGSVPQSA-N",null,500]
["D13629",13824,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19297399","C[C@@H](CN)C[C@@H]1C[C@@]1(C(O)=O)c1cn(cn1)-c1ccc(C)cn2","InChI=1S/C17H22N4O2/c1-11-3-4-15(19-8-11)21-9-14(20-10-21)17(16(22)23)6-13(17)5-12(2)7-18/h3-4,8-10,12-13H,5-7,18H2,1-2H3,(H,22,23)/t12-,13-,17+/m1/s2","AAEAYCWJPQORII-XNJGSVPQSA-N",-28298.8681923795,2631.04372638088,33748.5951468442,{"$nulls":3},6.73736097978338]
["D13630",668,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326390","C[C@@H](CN)C[C@@H]1C[C@@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C16H20N4O2/c1-11(8-17)6-12-7-16(12,15(21)22)13-9-20(10-19-13)14-4-2-3-5-18-14/h2-5,9-12H,6-8,17H2,1H3,(H,21,22)/t11-,12-,16+/m1/s1","FKDQZBMTXAMQNM-HSMVNMDESA-N",null,">3000"]
["D13631",13874,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19307151","C[C@@H](CN)C[C@@H]1C[C@@]1(C(O)=O)c1cn(cn1)-c1ccccn2","InChI=1S/C16H20N4O2/c1-11(8-17)6-12-7-16(12,15(21)22)13-9-20(10-19-13)14-4-2-3-5-18-14/h2-5,9-12H,6-8,17H2,1H3,(H,21,22)/t11-,12-,16+/m1/s2","FKDQZBMTXAMQNM-HSMVNMDESA-N",-33406.8873738272,">3001",33780.3196066185,{"$nulls":3},6.7373830483755]
["D13632",560,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109259","C[C@@H](CN)C[C@H](Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O","InChI=1S/C17H29N3O2/c1-12-3-5-16(6-4-12)20-10-15(19-11-20)8-14(17(21)22)7-13(2)9-18/h10-14,16H,3-9,18H2,1-2H3,(H,21,22)/t12-,13-,14-,16-/m1/s1","OMGSNJPCQBNRPB-IXYNUQLISA-N",null,">1.0e+2"]
["D13633",425,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326393","C[C@@H](CN)C[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccc(C)cn1","InChI=1S/C17H22N4O2/c1-11-3-4-15(19-8-11)21-9-14(20-10-21)17(16(22)23)6-13(17)5-12(2)7-18/h3-4,8-10,12-13H,5-7,18H2,1-2H3,(H,22,23)/t12-,13+,17-/m1/s1","AAEAYCWJPQORII-IIYDPXPESA-N",null,8.7]
["D13634",13631,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19259757","C[C@@H](CN)C[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccc(C)cn2","InChI=1S/C17H22N4O2/c1-11-3-4-15(19-8-11)21-9-14(20-10-21)17(16(22)23)6-13(17)5-12(2)7-18/h3-4,8-10,12-13H,5-7,18H2,1-2H3,(H,22,23)/t12-,13+,17-/m1/s2","AAEAYCWJPQORII-IIYDPXPESA-N",-8581.91415199151,45.3647122779711,33626.1387321154,{"$nulls":3},6.73727579501779]
["D13635",18070,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277901","C[C@@H](CO)C(=O)N1CCC(Nc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C32H38FN9O3/c1-21(17-43)31(44)42-9-8-29(27(33)16-42)38-28-7-2-22(14-23(28)15-34)30-35-20-36-32(39-30)37-24-3-5-25(6-4-24)40-10-12-41(13-11-40)26-18-45-19-26/h2-7,14,20-21,26-27,29,38,43H,8-13,16-19H2,1H3,(H,35,36,37,39)/t21-,27+,29?/m0/s1","BDKYBSJAVUZPKF-UJDDCBOUSA-N",null,31000,{"$nulls":4},7]
["D13636",15639,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM375398","C[C@@H](CO)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C32H37FN8O4/c1-21(17-42)31(43)41-9-8-29(27(33)16-41)45-28-7-2-22(14-23(28)15-34)30-35-20-36-32(38-30)37-24-3-5-25(6-4-24)39-10-12-40(13-11-39)26-18-44-19-26/h2-7,14,20-21,26-27,29,42H,8-13,16-19H2,1H3,(H,35,36,37,38)/t21-,27+,29-/m0/s1","UTSMJDSOWZCJIS-PEXXQYNDSA-N",null,31]
["D13637",4180,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67063","C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccncc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O","InChI=1S/C28H33ClN4O5S/c1-19-15-33(20(2)18-34)28(35)25-14-23(31-39(36,37)24-7-4-22(29)5-8-24)6-9-26(25)38-27(19)17-32(3)16-21-10-12-30-13-11-21/h4-14,19-20,27,31,34H,15-18H2,1-3H3/t19-,20+,27+/m1/s1","RTDBYDGQKCGXQZ-JVAFGIKQSA-N",{"$nulls":3},">350000"]
["D13638",4184,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67067","C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccccc2)Oc2c(NC(=O)c3cc(C)nn3C)cccc2C1=O","InChI=1S/C28H35N5O6S/c1-18-15-33(20(3)17-34)28(36)22-12-9-13-23(29-27(35)24-14-19(2)30-32(24)5)26(22)39-25(18)16-31(4)40(37,38)21-10-7-6-8-11-21/h6-14,18,20,25,34H,15-17H2,1-5H3,(H,29,35)/t18-,20+,25+/m1/s1","URKRDHSWJLVIPT-AOUJKTHWSA-N",{"$nulls":3},">350000"]
["D13639",4325,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66419","C[C@@H](C[C@@H](O)[C@H](O)C(C)(C)O)[C@@H]1CC[C@]23C[C@]12CC[C@@H]1[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]2C[C@@H](O[C@@H]2OC(COC(C)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@@]31C","InChI=1S/C40H66O12/c1-20(16-24(43)33(47)36(6,7)48)23-10-15-40-19-39(23,40)14-11-26-37(8)13-12-28(50-22(3)42)35(4,5)27(37)17-29(38(26,40)9)52-34-32(46)31(45)30(44)25(51-34)18-49-21(2)41/h20,23-34,43-48H,10-19H2,1-9H3/t20-,23-,24+,25?,26+,27-,28+,29+,30+,31-,32+,33-,34-,37+,38-,39+,40+/m0/s1","LWBFDADHSVYUPS-CLFPIQNZSA-N",{"$nulls":3},65530]
["D13640",15934,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278211","C[C@@H](N)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C31H36FN9O3/c1-20(34)30(42)41-9-8-28(26(32)16-41)44-27-7-2-21(14-22(27)15-33)29-35-19-36-31(38-29)37-23-3-5-24(6-4-23)39-10-12-40(13-11-39)25-17-43-18-25/h2-7,14,19-20,25-26,28H,8-13,16-18,34H2,1H3,(H,35,36,37,38)/t20-,26-,28+/m1/s1","XMWOMBDEKXWHIW-LVPRMVSMSA-N",null,76]
["D13641",14523,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478434","C[C@@H](N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(C)ncn2)c1",{"$nulls":3},3.06]
["D13642",14859,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478398","C[C@@H](N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2ccnc(C)n2)c1",{"$nulls":3},6.67]
["D13643",17746,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478375","C[C@@H](N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2ccncn2)c1",{"$nulls":3},2.05]
["D13644",15182,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478352","C[C@@H](N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2nc(C)no2)c1",{"$nulls":3},13.8]
["D13645",14666,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478432","C[C@@H](N1CCN(CC1)C(=O)C1CCC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(C)ncn2)c1",{"$nulls":3},4.15]
["D13646",15098,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478394","C[C@@H](N1CCN(CC1)C(=O)C1CCC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2ccnc(C)n2)c1",{"$nulls":3},11]
["D13647",18311,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478379","C[C@@H](N1CCN(CC1)C(=O)C1CCC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2ccncn2)c1",{"$nulls":3},2.99]
["D13648",15299,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50520148","C[C@@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(C)ncn2)c1","InChI=1S/C26H27F3N8O/c1-16-11-21(32-15-31-16)19-3-4-20-22(12-19)34-25(33-20)35-23-13-18(5-6-30-23)17(2)36-7-9-37(10-8-36)24(38)14-26(27,28)29/h3-6,11-13,15,17H,7-10,14H2,1-2H3,(H2,30,33,34,35)/t17-/m1/s1","HGCJKDOLUCMPFE-QGZVFWFLSA-N",null,17]
["D13649",14734,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50520165","C[C@@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(OCC3CC3)ncn2)c1","InChI=1S/C29H31F3N8O2/c1-18(39-8-10-40(11-9-39)27(41)15-29(30,31)32)20-6-7-33-25(13-20)38-28-36-22-5-4-21(12-24(22)37-28)23-14-26(35-17-34-23)42-16-19-2-3-19/h4-7,12-14,17-19H,2-3,8-11,15-16H2,1H3,(H2,33,36,37,38)/t18-/m1/s1","FVHKTXLAWSFSNK-GOSISDBHSA-N",null,5]
["D13650",15983,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478420","C[C@@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)C(F)(F)F)c1",{"$nulls":3},92.3]
["D13651",15515,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50520151","C[C@@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N(C)C)c1","InChI=1S/C27H30F3N9O/c1-17(38-8-10-39(11-9-38)25(40)15-27(28,29)30)18-6-7-31-23(13-18)36-26-34-20-5-4-19(12-22(20)35-26)21-14-24(37(2)3)33-16-32-21/h4-7,12-14,16-17H,8-11,15H2,1-3H3,(H2,31,34,35,36)/t17-/m1/s1","HZRJHVDNTDBTOZ-QGZVFWFLSA-N",null,30]
["D13652",15776,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478392","C[C@@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2ccnc(C)n2)c1",{"$nulls":3},45.4]
["D13653",14945,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478377","C[C@@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2ccncn2)c1",{"$nulls":3},8.23]
["D13654",14989,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50520142","C[C@@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cnn(CC3CC3)c2)c1","InChI=1S/C28H31F3N8O/c1-18(37-8-10-38(11-9-37)26(40)14-28(29,30)31)20-6-7-32-25(13-20)36-27-34-23-5-4-21(12-24(23)35-27)22-15-33-39(17-22)16-19-2-3-19/h4-7,12-13,15,17-19H,2-3,8-11,14,16H2,1H3,(H2,32,34,35,36)/t18-/m1/s1","WEFRCKPVMWDRAK-GOSISDBHSA-N",null,1]
["D13655",14789,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50520157","C[C@@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cnn(CC3CCC3)c2)c1","InChI=1S/C29H33F3N8O/c1-19(38-9-11-39(12-10-38)27(41)15-29(30,31)32)21-7-8-33-26(14-21)37-28-35-24-6-5-22(13-25(24)36-28)23-16-34-40(18-23)17-20-3-2-4-20/h5-8,13-14,16,18-20H,2-4,9-12,15,17H2,1H3,(H2,33,35,36,37)/t19-/m1/s1","CCQLYJZEWHWASR-LJQANCHMSA-N",null,6]
["D13656",15333,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50520174","C[C@@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2nc(C)no2)c1","InChI=1S/C24H25F3N8O2/c1-14(34-7-9-35(10-8-34)21(36)13-24(25,26)27)16-5-6-28-20(12-16)32-23-30-18-4-3-17(11-19(18)31-23)22-29-15(2)33-37-22/h3-6,11-12,14H,7-10,13H2,1-2H3,(H2,28,30,31,32)/t14-/m1/s1","SYMILEXMAHCATG-CQSZACIVSA-N",null,19]
["D13657",15775,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478396","C[C@@H](N1CCN(CC1)C(=O)CC1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2ccnc(C)n2)c1",{"$nulls":3},45.4]
["D13658",3709,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50392432","C[C@@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C(C)(C)C","InChI=1S/C19H23FN2O2/c1-13(19(2,3)4)22-18(23)15-8-9-17(21-11-15)24-12-14-6-5-7-16(20)10-14/h5-11,13H,12H2,1-4H3,(H,22,23)/t13-/m1/s1","VOYBJCDMLJODRK-CYBMUJFWSA-N",{"$nulls":3},">10000"]
["D13659",28442,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50275958","C[C@@H](Nc1cc(Cl)nc2ccnn12)c1ccccc1","InChI=1S/C14H13ClN4/c1-10(11-5-3-2-4-6-11)17-14-9-12(15)18-13-7-8-16-19(13)14/h2-10,17H,1H3/t10-/m1/s1","BVPWVKUKBFNUNQ-SNVBAGLBSA-N",null,1000]
["D13660",15953,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397633","C[C@@H](Nc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)C","InChI=1S/C20H22N6O2/c1-12(20(28)26(2)3)24-16-8-14(6-7-15(16)9-21)17-10-23-18(11-22-17)25-19(27)13-4-5-13/h6-8,10-13,24H,4-5H2,1-3H3,(H,23,25,27)/t12-/m1/s1","MXNYOKOBBMLJCE-GFCCVEGCSA-N",null,79.4]
["D13661",17040,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397661","C[C@@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)C","InChI=1S/C19H21N7O2/c1-11(19(28)26(2)3)24-14-6-13(8-21-15(14)7-20)16-9-23-17(10-22-16)25-18(27)12-4-5-12/h6,8-12,24H,4-5H2,1-3H3,(H,23,25,27)/t11-/m1/s1","FVYYHMCSFFZPKR-LLVKDONJSA-N",null,1585]
["D13662",16120,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397714","C[C@@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)CC(F)F","InChI=1S/C20H21F2N7O2/c1-11(20(31)29(2)10-17(21)22)27-14-5-13(7-24-15(14)6-23)16-8-26-18(9-25-16)28-19(30)12-3-4-12/h5,7-9,11-12,17,27H,3-4,10H2,1-2H3,(H,26,28,30)/t11-/m1/s1","UIKVLJAGIQEXMH-LLVKDONJSA-N",null,100]
["D13663",15766,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277997","C[C@@H](O)C(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C31H36N8O4/c1-21(40)30(41)39-10-8-27(9-11-39)43-28-7-2-22(16-23(28)17-32)29-33-20-34-31(36-29)35-24-3-5-25(6-4-24)37-12-14-38(15-13-37)26-18-42-19-26/h2-7,16,20-21,26-27,40H,8-15,18-19H2,1H3,(H,33,34,35,36)/t21-/m1/s1","TZTWYTJHTXOVKK-OAQYLSRUSA-N",null,44]
["D13664",16178,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570883","C[C@@H](O)C(=O)N1CCC(Oc2ccc(cc2C#N)-c2cc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)ncn2)C(F)(F)C1","InChI=1S/C32H35F2N7O4/c1-21(42)31(43)41-9-8-29(32(33,34)19-41)45-28-7-2-22(14-23(28)16-35)27-15-30(37-20-36-27)38-24-3-5-25(6-4-24)39-10-12-40(13-11-39)26-17-44-18-26/h2-7,14-15,20-21,26,29,42H,8-13,17-19H2,1H3,(H,36,37,38)/t21-,29?/m1/s1","KQXYJIUWZLBMHW-QYWNIODHSA-N",null,"<100"]
["D13665",14517,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277935","C[C@@H](O)C(=O)N1CCC(Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C(F)(F)C1","InChI=1S/C31H34F2N8O4/c1-20(42)29(43)41-9-8-27(31(32,33)18-41)45-26-7-2-21(14-22(26)15-34)28-35-19-36-30(38-28)37-23-3-5-24(6-4-23)39-10-12-40(13-11-39)25-16-44-17-25/h2-7,14,19-20,25,27,42H,8-13,16-18H2,1H3,(H,35,36,37,38)/t20-,27?/m1/s1","YSIJLTHURUGKOW-ACVCQEAVSA-N",null,3]
["D13666",15653,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277960","C[C@@H](O)C(=O)N1CC[C@@H](C[C@@H]1C)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C32H38N8O4/c1-21-15-28(9-10-40(21)31(42)22(2)41)44-29-8-3-23(16-24(29)17-33)30-34-20-35-32(37-30)36-25-4-6-26(7-5-25)38-11-13-39(14-12-38)27-18-43-19-27/h3-8,16,20-22,27-28,41H,9-15,18-19H2,1-2H3,(H,34,35,36,37)/t21-,22+,28-/m0/s1","WXHYZVLRPXCVBN-TYPXCFOJSA-N",null,32]
["D13667",16224,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277962","C[C@@H](O)C(=O)N1CC[C@@H](C[C@H]1C)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C32H38N8O4/c1-21-15-28(9-10-40(21)31(42)22(2)41)44-29-8-3-23(16-24(29)17-33)30-34-20-35-32(37-30)36-25-4-6-26(7-5-25)38-11-13-39(14-12-38)27-18-43-19-27/h3-8,16,20-22,27-28,41H,9-15,18-19H2,1-2H3,(H,34,35,36,37)/t21-,22-,28+/m1/s1","WXHYZVLRPXCVBN-XJGOYTCSSA-N",null,103]
["D13668",16425,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278025","C[C@@H](O)C(=O)N1CC[C@@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(C4COC4)[C@H](C)C3)n2)C(F)(F)C1","InChI=1S/C32H36F2N8O4/c1-20-15-40(11-12-42(20)26-16-45-17-26)25-6-4-24(5-7-25)38-31-37-19-36-29(39-31)22-3-8-27(23(13-22)14-35)46-28-9-10-41(18-32(28,33)34)30(44)21(2)43/h3-8,13,19-21,26,28,43H,9-12,15-18H2,1-2H3,(H,36,37,38,39)/t20-,21-,28-/m1/s1","QMNCWTOVWSKQHV-UMQWNRPGSA-N",null,233]
["D13669",15943,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277937","C[C@@H](O)C(=O)N1CC[C@@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C(F)(F)C1","InChI=1S/C31H34F2N8O4/c1-20(42)29(43)41-9-8-27(31(32,33)18-41)45-26-7-2-21(14-22(26)15-34)28-35-19-36-30(38-28)37-23-3-5-24(6-4-23)39-10-12-40(13-11-39)25-16-44-17-25/h2-7,14,19-20,25,27,42H,8-13,16-18H2,1H3,(H,35,36,37,38)/t20-,27-/m1/s1","YSIJLTHURUGKOW-NFQMXDRXSA-N",null,79]
["D13670",15171,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276918","C[C@@H](O)C(=O)N1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(nc12)-c1ccc(cc1)N1CCOCC1",{"$nulls":3},13.1]
["D13671",16277,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277964","C[C@@H](O)C(=O)N1CC[C@H](C[C@H]1C)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C32H38N8O4/c1-21-15-28(9-10-40(21)31(42)22(2)41)44-29-8-3-23(16-24(29)17-33)30-34-20-35-32(37-30)36-25-4-6-26(7-5-25)38-11-13-39(14-12-38)27-18-43-19-27/h3-8,16,20-22,27-28,41H,9-15,18-19H2,1-2H3,(H,34,35,36,37)/t21-,22-,28-/m1/s1","WXHYZVLRPXCVBN-DQCZWYHMSA-N",null,128]
["D13672",17357,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278026","C[C@@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(C4COC4)[C@H](C)C3)n2)C(F)(F)C1","InChI=1S/C32H36F2N8O4/c1-20-15-40(11-12-42(20)26-16-45-17-26)25-6-4-24(5-7-25)38-31-37-19-36-29(39-31)22-3-8-27(23(13-22)14-35)46-28-9-10-41(18-32(28,33)34)30(44)21(2)43/h3-8,13,19-21,26,28,43H,9-12,15-18H2,1-2H3,(H,36,37,38,39)/t20-,21-,28+/m1/s1","QMNCWTOVWSKQHV-CJYOKPGZSA-N",null,3000,{"$nulls":4},7]
["D13673",14970,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277936","C[C@@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C(F)(F)C1","InChI=1S/C31H34F2N8O4/c1-20(42)29(43)41-9-8-27(31(32,33)18-41)45-26-7-2-21(14-22(26)15-34)28-35-19-36-30(38-28)37-23-3-5-24(6-4-23)39-10-12-40(13-11-39)25-16-44-17-25/h2-7,14,19-20,25,27,42H,8-13,16-18H2,1H3,(H,35,36,37,38)/t20-,27+/m1/s1","YSIJLTHURUGKOW-HRFSGMKKSA-N",null,1]
["D13674",14923,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278242","C[C@@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C31H35FN8O4/c1-20(41)30(42)40-9-8-28(26(32)16-40)44-27-7-2-21(14-22(27)15-33)29-34-19-35-31(37-29)36-23-3-5-24(6-4-23)38-10-12-39(13-11-38)25-17-43-18-25/h2-7,14,19-20,25-26,28,41H,8-13,16-18H2,1H3,(H,34,35,36,37)/t20-,26-,28+/m1/s1","SLSXOXVMJVWWMJ-LVPRMVSMSA-N",null,8]
["D13675",15755,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278190","C[C@@H](O)C(=O)N1C[C@@H](F)[C@H](C[C@@H]1C)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C32H37FN8O4/c1-20-13-29(27(33)16-41(20)31(43)21(2)42)45-28-8-3-22(14-23(28)15-34)30-35-19-36-32(38-30)37-24-4-6-25(7-5-24)39-9-11-40(12-10-39)26-17-44-18-26/h3-8,14,19-21,26-27,29,42H,9-13,16-18H2,1-2H3,(H,35,36,37,38)/t20-,21+,27+,29-/m0/s1","PGCYVVJBCDGPQE-ZMFXZXPTSA-N",null,43]
["D13676",14798,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278249","C[C@@H](O)CC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C32H37FN8O4/c1-21(42)14-30(43)41-9-8-29(27(33)17-41)45-28-7-2-22(15-23(28)16-34)31-35-20-36-32(38-31)37-24-3-5-25(6-4-24)39-10-12-40(13-11-39)26-18-44-19-26/h2-7,15,20-21,26-27,29,42H,8-14,17-19H2,1H3,(H,35,36,37,38)/t21-,27-,29+/m1/s1","VVFKUPJHOJQZME-NRZUKODWSA-N",null,6]
["D13677",25927,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM50184807","C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C","InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1","WCWUXEGQKLTGDX-LLVKDONJSA-N",null,null,">10000"]
["D13678",31663,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50104304","C[C@@H](O)NC[C@H]1NC[C@H](O)[C@@H]1O","InChI=1S/C7H16N2O3/c1-4(10)8-2-5-7(12)6(11)3-9-5/h4-12H,2-3H2,1H3/t4-,5?,6?,7?/m0/s1","ILPLXBQAXZPQTP-DPIDSQGUSA-N",null,410000]
["D13679",16273,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397668","C[C@@H](O)[C@@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)C","InChI=1S/C20H23N7O3/c1-11(28)18(20(30)27(2)3)25-14-6-13(8-22-15(14)7-21)16-9-24-17(10-23-16)26-19(29)12-4-5-12/h6,8-12,18,25,28H,4-5H2,1-3H3,(H,24,26,29)/t11-,18-/m1/s1","PAYLVJUJHKZHQJ-ADLMAVQZSA-N",null,126]
["D13680",16321,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397663","C[C@@H](O)[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)C","InChI=1S/C20H23N7O3/c1-11(28)18(20(30)27(2)3)25-14-6-13(8-22-15(14)7-21)16-9-24-17(10-23-16)26-19(29)12-4-5-12/h6,8-12,18,25,28H,4-5H2,1-3H3,(H,24,26,29)/t11-,18+/m1/s1","PAYLVJUJHKZHQJ-ZMZPIMSZSA-N",null,158]
["D13681",25877,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM50306682","C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl","InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1","KTEIFNKAUNYNJU-GFCCVEGCSA-N",null,null,">10000"]
["D13682",25895,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM50355500","C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F","InChI=1S/C27H28F3N5O2S/c1-17(19-5-3-4-6-20(19)27(28,29)30)37-23-14-24(38-25(23)26(31)36)35-16-32-21-8-7-18(13-22(21)35)15-34-11-9-33(2)10-12-34/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H2,31,36)/t17-/m1/s1","ZHJGWYRLJUCMRT-QGZVFWFLSA-N",null,null,">10000"]
["D13683",15394,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278061","C[C@@H](Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C1CCOCC1","InChI=1S/C30H35N7O3/c1-21(22-8-14-38-15-9-22)40-28-7-2-23(16-24(28)17-31)29-32-20-33-30(35-29)34-25-3-5-26(6-4-25)36-10-12-37(13-11-36)27-18-39-19-27/h2-7,16,20-22,27H,8-15,18-19H2,1H3,(H,32,33,34,35)/t21-/m1/s1","YIDCDYMSPCENSL-OAQYLSRUSA-N",null,22]
["D13684",551,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008269","C[C@@H](S)[C@@H](Cc1ccc(N)nc1)C(O)=O","InChI=1S/C10H14N2O2S/c1-6(15)8(10(13)14)4-7-2-3-9(11)12-5-7/h2-3,5-6,8,15H,4H2,1H3,(H2,11,12)(H,13,14)/t6-,8-/m1/s1","GYIYAOUGKJSCCG-HTRCEHHLSA-N",null,87]
["D13685",32255,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50430719","C[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)N1CCCC1=O","InChI=1S/C16H22N2O3S/c1-13-5-2-3-12-18(13)22(20,21)15-9-7-14(8-10-15)17-11-4-6-16(17)19/h7-10,13H,2-6,11-12H2,1H3/t13-/m1/s1","KCSTYGPHSVKBQP-CYBMUJFWSA-N",null,">30000"]
["D13686",25878,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM50193995","C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N","InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1","UJLAWZDWDVHWOW-YPMHNXCESA-N",null,null,">10000"]
["D13687",14743,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278210","C[C@@H]1CN(CC(F)(F)[C@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)CO","InChI=1S/C31H34F2N8O4/c1-20-14-41(27(43)15-42)18-31(32,33)28(20)45-26-7-2-21(12-22(26)13-34)29-35-19-36-30(38-29)37-23-3-5-24(6-4-23)39-8-10-40(11-9-39)25-16-44-17-25/h2-7,12,19-20,25,28,42H,8-11,14-18H2,1H3,(H,35,36,37,38)/t20-,28+/m1/s1","AUBYDIOIZLCJCZ-NGOKVRLYSA-N",null,5]
["D13688",15499,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245954","C[C@@H]1CN(CCN1)c1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](O)C3)c(c2)C#N)cn1","InChI=1S/C24H27N9O/c1-16-14-32(9-7-26-16)22-3-2-19(13-28-22)30-24-27-6-4-21(31-24)18-10-17(11-25)23(29-12-18)33-8-5-20(34)15-33/h2-4,6,10,12-13,16,20,26,34H,5,7-9,14-15H2,1H3,(H,27,30,31)/t16-,20+/m1/s1","FSFXOGICGPZPDS-UZLBHIALSA-N",null,"<30",{"$nulls":4},7.5]
["D13689",16650,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278021","C[C@@H]1CN(CCN1C1COC1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)cc1","InChI=1S/C31H35FN8O4/c1-20-14-38(10-11-40(20)25-17-43-18-25)24-5-3-23(4-6-24)36-31-35-19-34-30(37-31)21-2-7-27(22(12-21)13-33)44-28-8-9-39(15-26(28)32)29(42)16-41/h2-7,12,19-20,25-26,28,41H,8-11,14-18H2,1H3,(H,34,35,36,37)/t20-,26-,28+/m1/s1","KTMJREQYLFKXSQ-LVPRMVSMSA-N",null,2]
["D13690",14792,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278320","C[C@@H]1CN(CCN1C1COC1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@@H]3CCC(=O)N3)c(c2)C#N)cc1","InChI=1S/C34H38FN9O4/c1-21-16-42(12-13-44(21)26-18-47-19-26)25-5-3-24(4-6-25)39-34-38-20-37-32(41-34)22-2-8-29(23(14-22)15-36)48-30-10-11-43(17-27(30)35)33(46)28-7-9-31(45)40-28/h2-6,8,14,20-21,26-28,30H,7,9-13,16-19H2,1H3,(H,40,45)(H,37,38,39,41)/t21-,27-,28+,30+/m1/s1","VEJODSCPAOHWJG-NKNKFDROSA-N",null,6]
["D13691",15834,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478340","C[C@@H]1CN(CCN1Cc1ccnc(Nc2nc3ccc(cc3[nH]2)-c2nc(C)no2)c1)C(=O)C1CC1",{"$nulls":3},54.6]
["D13692",15966,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478341","C[C@@H]1CN(CCN1Cc1ccnc(Nc2nc3ccc(cc3[nH]2)-c2nc(C)no2)c1)C(=O)C1CCC1",{"$nulls":3},84.7]
["D13693",15885,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478338","C[C@@H]1CN(CCN1Cc1ccnc(Nc2nc3ccc(cc3[nH]2)-c2nc(C)no2)c1)C(=O)CC(F)(F)F",{"$nulls":3},63.1]
["D13694",15908,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478339","C[C@@H]1CN(CCN1Cc1ccnc(Nc2nc3ccc(cc3[nH]2)-c2nc(C)no2)c1)C(=O)CC1CC1",{"$nulls":3},67]
["D13695",16264,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478337","C[C@@H]1CN(CCN1Cc1ccnc(Nc2nc3ccc(cc3[nH]2)-c2nc(C)no2)c1)C(=O)OC(C)(C)C",{"$nulls":3},125]
["D13696",16649,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278020","C[C@@H]1CN(CCN1c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)cc1)C1COC1","InChI=1S/C31H35FN8O4/c1-20-14-38(25-17-43-18-25)10-11-40(20)24-5-3-23(4-6-24)36-31-35-19-34-30(37-31)21-2-7-27(22(12-21)13-33)44-28-8-9-39(15-26(28)32)29(42)16-41/h2-7,12,19-20,25-26,28,41H,8-11,14-18H2,1H3,(H,34,35,36,37)/t20-,26-,28+/m1/s1","OYQSRSUSXBDIKK-LVPRMVSMSA-N",null,2]
["D13697",3439,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Microtubule-associated protein tau","Bos taurus","BDBM142846","C[C@@H]1COCCN1c1nc(cc(=O)n1C)-c1ncncc1F","InChI=1S/C14H16FN5O2/c1-9-7-22-4-3-20(9)14-18-11(5-12(21)19(14)2)13-10(15)6-16-8-17-13/h5-6,8-9H,3-4,7H2,1-2H3/t9-/m1/s1","OXEZCSBOEPKTJW-SECBINFHSA-N",null,19.7,{"$nulls":4},6.5,"25.00 C"]
["D13698",15381,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278000","C[C@@H]1C[C@@H](CCN1C(=O)CO)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C31H36N8O4/c1-21-14-27(8-9-39(21)29(41)17-40)43-28-7-2-22(15-23(28)16-32)30-33-20-34-31(36-30)35-24-3-5-25(6-4-24)37-10-12-38(13-11-37)26-18-42-19-26/h2-7,15,20-21,26-27,40H,8-14,17-19H2,1H3,(H,33,34,35,36)/t21-,27-/m1/s1","YLMVQBQUDMREPQ-JIPXPUAJSA-N",null,21]
["D13699",14984,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277982","C[C@@H]1C[C@@H](O)CN1c1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H32N8O2/c1-19-12-25(37)15-36(19)26-7-2-20(13-21(26)14-29)27-30-18-31-28(33-27)32-22-3-5-23(6-4-22)34-8-10-35(11-9-34)24-16-38-17-24/h2-7,13,18-19,24-25,37H,8-12,15-17H2,1H3,(H,30,31,32,33)/t19-,25-/m1/s1","IYOHUZINNTYJDG-KBMIEXCESA-N",null,1]
["D13700",4719,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM43483","C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@]2(C)[C@H]1C=CC2=O","InChI=1S/C15H18O3/c1-8-6-12-10(9(2)14(17)18-12)7-15(3)11(8)4-5-13(15)16/h4-5,8,10-12H,2,6-7H2,1,3H3/t8-,10-,11+,12+,15+/m1/s1","OSSDUQKWVVZIGP-SCGWIAOYSA-N",{"$nulls":3},">350000"]
["D13701",15250,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277946","C[C@@H]1C[C@H](CCN1C(=O)CO)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C31H36N8O4/c1-21-14-27(8-9-39(21)29(41)17-40)43-28-7-2-22(15-23(28)16-32)30-33-20-34-31(36-30)35-24-3-5-25(6-4-24)37-10-12-38(13-11-37)26-18-42-19-26/h2-7,15,20-21,26-27,40H,8-14,17-19H2,1H3,(H,33,34,35,36)/t21-,27+/m1/s1","YLMVQBQUDMREPQ-ZBLYBZFDSA-N",null,15]
["D13702",15936,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277877","C[C@@H]1C[C@H](CN1C(=O)CO)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C30H34N8O4/c1-20-12-26(15-38(20)28(40)16-39)42-27-7-2-21(13-22(27)14-31)29-32-19-33-30(35-29)34-23-3-5-24(6-4-23)36-8-10-37(11-9-36)25-17-41-18-25/h2-7,13,19-20,25-26,39H,8-12,15-18H2,1H3,(H,32,33,34,35)/t20-,26-/m1/s1","DMKVMHGMWYFLSO-FQRUVTKNSA-N",null,77]
["D13703",18139,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50537742","C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1","InChI=1S/C19H23N7O/c1-12-6-15(12)19(27)26-5-4-25(10-13(26)2)17-9-21-16(7-20)18(23-17)14-8-22-24(3)11-14/h8-9,11-13,15H,4-6,10H2,1-3H3/t12-,13-,15-/m1/s1","GXEXIUKEWXZCEF-UMVBOHGHSA-N",null,">100000"]
["D13704",4718,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM43482","C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](OC(C)=O)[C@@]2(C)[C@H]1C=CC2=O","InChI=1S/C17H20O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8,11-12,14-15H,2,7H2,1,3-4H3/t8-,11+,12-,14-,15+,17+/m1/s1","DCNRYQODUSSOKC-HKHYKUHTSA-N",{"$nulls":3},">350000"]
["D13705",31642,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50186733","C[C@@H]1NC[C@@H](O)[C@H](O)C1(F)F","InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m0/s1","PPFKZUHHAXUCRZ-LMVFSUKVSA-N",">1000000",{"$nulls":5},6.8]
["D13706",14869,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278302","C[C@@H]1OC(=O)N[C@@H]1C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C33H36FN9O5/c1-20-29(39-33(45)47-20)31(44)43-9-8-28(26(34)16-43)48-27-7-2-21(14-22(27)15-35)30-36-19-37-32(40-30)38-23-3-5-24(6-4-23)41-10-12-42(13-11-41)25-17-46-18-25/h2-7,14,19-20,25-26,28-29H,8-13,16-18H2,1H3,(H,39,45)(H,36,37,38,40)/t20-,26+,28-,29-/m0/s1","SEYRKYCIMBZUOV-DNHCOPIWSA-N",null,7]
["D13707",32070,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50286739","C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=CC(=O)OC2)[C@H](O)[C@H](O)[C@H]1O","InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1","LPMXVESGRSUGHW-HBYQJFLCSA-N",null,">55700"]
["D13708",3908,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM58490","C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]1C[C@@](O)(Cc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c12)C(C)=O","InChI=1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/t10-,15-,16-,17-,21+,26-/m0/s1","XDXDZDZNSLXDNA-TZNDIEGXSA-N",{"$nulls":3},">350000"]
["D13709",31985,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50207366","C[C@@H]1[C@@H](O)[C@H]2O[C@@]22[C@@H]1C[C@]13CC[C@H](C=C)[C@@]1(C)C(=O)C[C@]23C","InChI=1S/C19H26O3/c1-5-11-6-7-18-8-12-10(2)14(21)15-19(12,22-15)16(18,3)9-13(20)17(11,18)4/h5,10-12,14-15,21H,1,6-9H2,2-4H3/t10-,11-,12+,14+,15+,16-,17-,18-,19-/m0/s1","ZOKHEXLFWHFDPZ-QLFVRICGSA-N",null,">50000"]
["D13710",3624,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50072171","C[C@@H]1[C@@H]([C@H]1C(N)(CC1c2ccccc2Oc2ccccc12)C(O)=O)C(O)=O","InChI=1S/C21H21NO5/c1-11-17(19(23)24)18(11)21(22,20(25)26)10-14-12-6-2-4-8-15(12)27-16-9-5-3-7-13(14)16/h2-9,11,14,17-18H,10,22H2,1H3,(H,23,24)(H,25,26)/t11-,17+,18+,21?/m1/s1","VYTOVCNIMJIGDL-FPNSYFSOSA-N",null,23070]
["D13711",4975,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50138781","C[C@@H]1[C@H]([C@H](N)C(O)=O)[C@H]1C(O)=O","InChI=1S/C7H11NO4/c1-2-3(4(2)6(9)10)5(8)7(11)12/h2-5H,8H2,1H3,(H,9,10)(H,11,12)/t2-,3+,4+,5+/m1/s1","ZLKKUEAUAXFRAV-STGXQOJASA-N",{"$nulls":3},">100000"]
["D13712",25799,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Beta-lactamase 1","Bacillus cereus","BDBM50285119","C[C@@]1(CCl)S[C@@H]2[C@@H](Br)C(=O)N2[C@H]1C(O)=O","InChI=1S/C8H9BrClNO3S/c1-8(2-10)4(7(13)14)11-5(12)3(9)6(11)15-8/h3-4,6H,2H2,1H3,(H,13,14)/t3-,4-,6+,8-/m0/s1","RXBJCDPRAUPSIB-QXCXTELSSA-N",null,1000000]
["D13713",25805,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Beta-lactamase 1","Bacillus cereus","BDBM50285114","C[C@@]1(CCl)S[C@@H]2[C@@H](Cl)C(=O)N2[C@H]1C(O)=O","InChI=1S/C8H9Cl2NO3S/c1-8(2-9)4(7(13)14)11-5(12)3(10)6(11)15-8/h3-4,6H,2H2,1H3,(H,13,14)/t3-,4-,6+,8-/m0/s1","GEDRRBSZNLGMLW-QXCXTELSSA-N",null,">5000000"]
["D13714",25813,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Beta-lactamase 1","Bacillus cereus","BDBM50285116","C[C@@]1(CCl)S[C@@H]2[C@@H](F)C(=O)N2[C@H]1C(O)=O","InChI=1S/C8H9ClFNO3S/c1-8(2-9)4(7(13)14)11-5(12)3(10)6(11)15-8/h3-4,6H,2H2,1H3,(H,13,14)/t3-,4-,6+,8-/m0/s1","WZMQMLSZWGMDPI-QXCXTELSSA-N",null,">5000000"]
["D13715",25804,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Beta-lactamase 1","Bacillus cereus","BDBM50285123","C[C@@]1(CSc2nc3ccccc3s2)S[C@@H]2[C@@H](Br)C(=O)N2[C@H]1C(O)=O","InChI=1S/C15H13BrN2O3S3/c1-15(6-22-14-17-7-4-2-3-5-8(7)23-14)10(13(20)21)18-11(19)9(16)12(18)24-15/h2-5,9-10,12H,6H2,1H3,(H,20,21)/t9-,10-,12+,15-/m0/s1","WOFAABWEQYFPBT-JOXOIDLHSA-N",null,">5000000"]
["D13716",25806,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Beta-lactamase 1","Bacillus cereus","BDBM50285118","C[C@@]1(CSc2nc3ccccc3s2)S[C@@H]2[C@@H](Cl)C(=O)N2[C@H]1C(O)=O","InChI=1S/C15H13ClN2O3S3/c1-15(6-22-14-17-7-4-2-3-5-8(7)23-14)10(13(20)21)18-11(19)9(16)12(18)24-15/h2-5,9-10,12H,6H2,1H3,(H,20,21)/t9-,10-,12+,15-/m0/s1","HPMKIEMRXVQVAA-JOXOIDLHSA-N",null,">5000000"]
["D13717",25807,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Beta-lactamase 1","Bacillus cereus","BDBM50285122","C[C@@]1(CSc2nc3ccccc3s2)S[C@@H]2[C@@H](F)C(=O)N2[C@H]1C(O)=O","InChI=1S/C15H13FN2O3S3/c1-15(6-22-14-17-7-4-2-3-5-8(7)23-14)10(13(20)21)18-11(19)9(16)12(18)24-15/h2-5,9-10,12H,6H2,1H3,(H,20,21)/t9-,10-,12+,15-/m0/s1","BPHHPYFDKVOOBN-JOXOIDLHSA-N",null,">5000000"]
["D13718",12106,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM7493","C[C@@]12CN3[C@H]4C[C@@]56[C@H]7C[C@@H]([C@H](O)[C@H]5[C@@](CCC1)([C@H]37)[C@@H]24)C(=C)C6=O","InChI=1S/C20H25NO2/c1-9-10-6-11-16-19-5-3-4-18(2)8-21(16)12(14(18)19)7-20(11,17(9)23)15(19)13(10)22/h10-16,22H,1,3-8H2,2H3/t10-,11+,12+,13+,14-,15+,16-,18+,19+,20-/m1/s1","XQGXURCEEPKCOB-NKSZRAAISA-N",null,4389]
["D13719",445,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326403","C[C@H](CCN)C1CC1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C16H20N4O2/c1-11(5-6-17)12-8-16(12,15(21)22)13-9-20(10-19-13)14-4-2-3-7-18-14/h2-4,7,9-12H,5-6,8,17H2,1H3,(H,21,22)/t11-,12?,16?/m1/s1","BBYNWGREASBBGG-OPGSHWCFSA-N",null,12]
["D13720",13651,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19263658","C[C@H](CCN)C1CC1(C(O)=O)c1cn(cn1)-c1ccccn2","InChI=1S/C16H20N4O2/c1-11(5-6-17)12-8-16(12,15(21)22)13-9-20(10-19-13)14-4-2-3-7-18-14/h2-4,7,9-12H,5-6,8,17H2,1H3,(H,21,22)/t11-,12?,16?/m1/s2","BBYNWGREASBBGG-OPGSHWCFSA-N",-10625.1218245705,50.985288866508,33638.8285160251,{"$nulls":3},6.73728462245464]
["D13721",500,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326391","C[C@H](CN)CC1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C16H20N4O2/c1-11(8-17)6-12-7-16(12,15(21)22)13-9-20(10-19-13)14-4-2-3-5-18-14/h2-5,9-12H,6-8,17H2,1H3,(H,21,22)/t11-,12?,16+/m0/s1","FKDQZBMTXAMQNM-QRUKAPELSA-N",null,33]
["D13722",13706,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19274385","C[C@H](CN)CC1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccn2","InChI=1S/C16H20N4O2/c1-11(8-17)6-12-7-16(12,15(21)22)13-9-20(10-19-13)14-4-2-3-5-18-14/h2-5,9-12H,6-8,17H2,1H3,(H,21,22)/t11-,12?,16+/m0/s2","FKDQZBMTXAMQNM-QRUKAPELSA-N",-16243.942924163,66.4418744849845,33673.7254217768,{"$nulls":3},6.73730889790597]
["D13723",401,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109258","C[C@H](CN)C[C@@H](Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O","InChI=1S/C17H29N3O2/c1-12-3-5-16(6-4-12)20-10-15(19-11-20)8-14(17(21)22)7-13(2)9-18/h10-14,16H,3-9,18H2,1-2H3,(H,21,22)/t12-,13-,14-,16-/m0/s1","OMGSNJPCQBNRPB-YXWQFLTLSA-N",null,5.4]
["D13724",615,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326392","C[C@H](CN)C[C@@H]1C[C@@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C16H20N4O2/c1-11(8-17)6-12-7-16(12,15(21)22)13-9-20(10-19-13)14-4-2-3-5-18-14/h2-5,9-12H,6-8,17H2,1H3,(H,21,22)/t11-,12+,16-/m0/s1","FKDQZBMTXAMQNM-OZVIIMIRSA-N",null,490]
["D13725",13821,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19296814","C[C@H](CN)C[C@@H]1C[C@@]1(C(O)=O)c1cn(cn1)-c1ccccn2","InChI=1S/C16H20N4O2/c1-11(8-17)6-12-7-16(12,15(21)22)13-9-20(10-19-13)14-4-2-3-5-18-14/h2-5,9-12H,6-8,17H2,1H3,(H,21,22)/t11-,12+,16-/m0/s2","FKDQZBMTXAMQNM-OZVIIMIRSA-N",-27992.3870414926,2540.8034126045,33746.6916792577,{"$nulls":3},6.73735965566785]
["D13726",502,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109257","C[C@H](CN)C[C@H](Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O","InChI=1S/C17H29N3O2/c1-12-3-5-16(6-4-12)20-10-15(19-11-20)8-14(17(21)22)7-13(2)9-18/h10-14,16H,3-9,18H2,1-2H3,(H,21,22)/t12-,13-,14+,16-/m0/s1","OMGSNJPCQBNRPB-AYDFFVQHSA-N",null,34]
["D13727",504,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326386","C[C@H](CN)C[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccc1","InChI=1S/C17H21N3O2/c1-12(9-18)7-13-8-17(13,16(21)22)15-10-20(11-19-15)14-5-3-2-4-6-14/h2-6,10-13H,7-9,18H2,1H3,(H,21,22)/t12-,13-,17+/m0/s1","TYNKRGKXUGBUBH-GDZNZVCISA-N",null,35]
["D13728",13710,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19275165","C[C@H](CN)C[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccc2","InChI=1S/C17H21N3O2/c1-12(9-18)7-13-8-17(13,16(21)22)15-10-20(11-19-15)14-5-3-2-4-6-14/h2-6,10-13H,7-9,18H2,1H3,(H,21,22)/t12-,13-,17+/m0/s2","TYNKRGKXUGBUBH-GDZNZVCISA-N",-16652.5844586788,67.5659898026918,33676.2633785588,{"$nulls":3},6.73731066339334]
["D13729",409,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109254","C[C@H](CN)OC(Cc1cn(cn1)[C@H]1CC[C@H](C)CC1)C(O)=O","InChI=1S/C16H27N3O3/c1-11-3-5-14(6-4-11)19-9-13(18-10-19)7-15(16(20)21)22-12(2)8-17/h9-12,14-15H,3-8,17H2,1-2H3,(H,20,21)/t11-,12-,14-,15?/m1/s1","SXFRUTCVXKOOAP-TVAMOIRASA-N",null,7]
["D13730",328,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305352","C[C@H](CN)O[C@@H](Cc1cn(cn1)-c1ccccc1)C(O)=O","InChI=1S/C15H19N3O3/c1-11(8-16)21-14(15(19)20)7-12-9-18(10-17-12)13-5-3-2-4-6-13/h2-6,9-11,14H,7-8,16H2,1H3,(H,19,20)/t11-,14+/m1/s1","MAWYISWEMHTKMO-RISCZKNCSA-N",7.5]
["D13731",326,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305351","C[C@H](CN)O[C@@H](Cc1cn(cn1)-c1ccccn1)C(O)=O","InChI=1S/C14H18N4O3/c1-10(7-15)21-12(14(19)20)6-11-8-18(9-17-11)13-4-2-3-5-16-13/h2-5,8-10,12H,6-7,15H2,1H3,(H,19,20)/t10-,12+/m1/s1","QOJWERXDJOWTNM-PWSUYJOCSA-N",5.8]
["D13732",15249,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277902","C[C@H](CO)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C32H37FN8O4/c1-21(17-42)31(43)41-9-8-29(27(33)16-41)45-28-7-2-22(14-23(28)15-34)30-35-20-36-32(38-30)37-24-3-5-25(6-4-24)39-10-12-40(13-11-39)26-18-44-19-26/h2-7,14,20-21,26-27,29,42H,8-13,16-19H2,1H3,(H,35,36,37,38)/t21-,27-,29+/m1/s1","UTSMJDSOWZCJIS-NRZUKODWSA-N",null,15]
["D13733",4183,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67066","C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)NC2CCCCC2)Oc2c(NS(=O)(=O)c3cn(C)cn3)cccc2C1=O","InChI=1S/C27H40N6O6S/c1-18-13-33(19(2)16-34)26(35)21-11-8-12-22(30-40(37,38)24-15-31(3)17-28-24)25(21)39-23(18)14-32(4)27(36)29-20-9-6-5-7-10-20/h8,11-12,15,17-20,23,30,34H,5-7,9-10,13-14,16H2,1-4H3,(H,29,36)/t18-,19+,23+/m0/s1","IKTNJFSBNTVRMI-YCRNBWNJSA-N",{"$nulls":3},">350000"]
["D13734",4179,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67062","C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)CC2CCCCC2)Oc2c(NS(=O)(=O)c3cccs3)cccc2C1=O","InChI=1S/C27H39N3O5S2/c1-19-15-30(20(2)18-31)27(32)22-11-7-12-23(28-37(33,34)25-13-8-14-36-25)26(22)35-24(19)17-29(3)16-21-9-5-4-6-10-21/h7-8,11-14,19-21,24,28,31H,4-6,9-10,15-18H2,1-3H3/t19-,20+,24+/m0/s1","RRUJRRCVAXHNFX-DCLXLUIPSA-N",{"$nulls":3},">350000"]
["D13735",4178,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67061","C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2c(C)noc2C)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C1=O","InChI=1S/C25H33F3N4O7S/c1-14-11-32(15(2)13-33)24(35)19-10-18(29-22(34)8-9-25(26,27)28)6-7-20(19)38-21(14)12-31(5)40(36,37)23-16(3)30-39-17(23)4/h6-7,10,14-15,21,33H,8-9,11-13H2,1-5H3,(H,29,34)/t14-,15+,21+/m0/s1","HTHMUEIVNNEIFG-PDSXEYIOSA-N",{"$nulls":3},">350000"]
["D13736",4181,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67064","C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(cc2)-c2ccccc2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O","InChI=1S/C36H41N3O5S/c1-26-22-39(27(2)25-40)36(41)21-31-20-32(37-45(42,43)33-12-8-5-9-13-33)18-19-34(31)44-35(26)24-38(3)23-28-14-16-30(17-15-28)29-10-6-4-7-11-29/h4-20,26-27,35,37,40H,21-25H2,1-3H3/t26-,27+,35-/m0/s1","QMWRRMYICQUONI-ULQPQYINSA-N",{"$nulls":3},">350000"]
["D13737",15369,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278212","C[C@H](N)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C31H36FN9O3/c1-20(34)30(42)41-9-8-28(26(32)16-41)44-27-7-2-21(14-22(27)15-33)29-35-19-36-31(38-29)37-23-3-5-24(6-4-23)39-10-12-40(13-11-39)25-17-43-18-25/h2-7,14,19-20,25-26,28H,8-13,16-18,34H2,1H3,(H,35,36,37,38)/t20-,26+,28-/m0/s1","XMWOMBDEKXWHIW-GFNGZDJJSA-N",null,20]
["D13738",15191,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478435","C[C@H](N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(C)ncn2)c1",{"$nulls":3},14]
["D13739",15675,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478399","C[C@H](N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2ccnc(C)n2)c1",{"$nulls":3},33.9]
["D13740",15148,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478376","C[C@H](N1CCN(CC1)C(=O)C1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2ccncn2)c1",{"$nulls":3},12.4]
["D13741",15456,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478433","C[C@H](N1CCN(CC1)C(=O)C1CCC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(C)ncn2)c1",{"$nulls":3},27.5]
["D13742",15839,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478395","C[C@H](N1CCN(CC1)C(=O)C1CCC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2ccnc(C)n2)c1",{"$nulls":3},55.1]
["D13743",15205,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478380","C[C@H](N1CCN(CC1)C(=O)C1CCC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2ccncn2)c1",{"$nulls":3},14.5]
["D13744",17756,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478431","C[C@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(C)ncn2)c1",{"$nulls":3},2.15]
["D13745",14957,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478421","C[C@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)C(F)(F)F)c1",{"$nulls":3},8.64]
["D13746",14858,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478393","C[C@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2ccnc(C)n2)c1",{"$nulls":3},6.62]
["D13747",16105,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478378","C[C@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2ccncn2)c1",{"$nulls":3},1.86]
["D13748",15310,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50520156","C[C@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2nc(C)no2)c1","InChI=1S/C24H25F3N8O2/c1-14(34-7-9-35(10-8-34)21(36)13-24(25,26)27)16-5-6-28-20(12-16)32-23-30-18-4-3-17(11-19(18)31-23)22-29-15(2)33-37-22/h3-6,11-12,14H,7-10,13H2,1-2H3,(H2,28,30,31,32)/t14-/m0/s1","SYMILEXMAHCATG-AWEZNQCLSA-N",null,17.2]
["D13749",15180,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478397","C[C@H](N1CCN(CC1)C(=O)CC1CC1)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2ccnc(C)n2)c1",{"$nulls":3},13.8]
["D13750",3824,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66753","C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCC(CC1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O","InChI=1S/C25H37N3O6/c1-16(27-24(33)34-25(2,3)4)21(29)26-15-18-10-12-19(13-11-18)22(30)28-20(23(31)32)14-17-8-6-5-7-9-17/h5-9,16,18-20H,10-15H2,1-4H3,(H,26,29)(H,27,33)(H,28,30)(H,31,32)/t16-,18?,19?,20-/m0/s1","NHTYZBCBARXSMU-ACAXCVFMSA-N",{"$nulls":3},">350000"]
["D13751",576,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089700","C[C@H](NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O)C1CCCCC1","InChI=1S/C24H44N4O4/c1-17(19-12-6-3-7-13-19)26-22(29)21(16-18-10-4-2-5-11-18)28-24(32)27-20(23(30)31)14-8-9-15-25/h17-21H,2-16,25H2,1H3,(H,26,29)(H,30,31)(H2,27,28,32)/t17-,20-,21+/m0/s1","AFPITHMSIWIQKS-DZFGPLHGSA-N",null,130]
["D13752",13782,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19289207","C[C@H](NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O)C1CCCCC2","InChI=1S/C24H44N4O4/c1-17(19-12-6-3-7-13-19)26-22(29)21(16-18-10-4-2-5-11-18)28-24(32)27-20(23(30)31)14-8-9-15-25/h17-21H,2-16,25H2,1H3,(H,26,29)(H,30,31)(H2,27,28,32)/t17-,20-,21+/m0/s2","AFPITHMSIWIQKS-DZFGPLHGSA-N",-24008.1320799634,305.162636320531,33721.9466006338,{"$nulls":3},6.73734244216599]
["D13753",568,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089740","C[C@H](NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O)c1ccc(Cl)cc1","InChI=1S/C24H37ClN4O4/c1-16(18-10-12-19(25)13-11-18)27-22(30)21(15-17-7-3-2-4-8-17)29-24(33)28-20(23(31)32)9-5-6-14-26/h10-13,16-17,20-21H,2-9,14-15,26H2,1H3,(H,27,30)(H,31,32)(H2,28,29,33)/t16-,20-,21+/m0/s1","XPYKQDYZHBTVDV-ORYQWCPZSA-N",null,110]
["D13754",13774,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19287647","C[C@H](NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O)c1ccc(Cl)cc2","InChI=1S/C24H37ClN4O4/c1-16(18-10-12-19(25)13-11-18)27-22(30)21(15-17-7-3-2-4-8-17)29-24(33)28-20(23(31)32)9-5-6-14-26/h10-13,16-17,20-21H,2-9,14-15,26H2,1H3,(H,27,30)(H,31,32)(H2,28,29,33)/t16-,20-,21+/m0/s2","XPYKQDYZHBTVDV-ORYQWCPZSA-N",-23190.8490109318,270.046467520151,33716.8706870699,{"$nulls":3},6.73733891119125]
["D13755",18518,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50228470","C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(C)=O)C=O","InChI=1S/C18H28N4O5/c1-11(10-23)19-16(25)15-7-5-9-22(15)18(27)12(2)20-17(26)14-6-4-8-21(14)13(3)24/h10-12,14-15H,4-9H2,1-3H3,(H,19,25)(H,20,26)/t11-,12-,14-,15-/m0/s1","OSANQLDCWPITIN-JURCDPSOSA-N",800]
["D13756",18515,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50014740","C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)C(F)(F)F","InChI=1S/C19H27F3N4O5/c1-10(15(28)19(20,21)22)23-17(30)14-7-5-9-26(14)18(31)11(2)24-16(29)13-6-4-8-25(13)12(3)27/h10-11,13-14H,4-9H2,1-3H3,(H,23,30)(H,24,29)/t10-,11-,13-,14-/m0/s1","DLOFUPNOARUTLN-IMIFBBOLSA-N",240]
["D13757",18517,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50014744","C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)C(O)=O","InChI=1S/C19H28N4O7/c1-10(15(25)19(29)30)20-17(27)14-7-5-9-23(14)18(28)11(2)21-16(26)13-6-4-8-22(13)12(3)24/h10-11,13-14H,4-9H2,1-3H3,(H,20,27)(H,21,26)(H,29,30)/t10-,11-,13-,14-/m0/s1","ZMIWAKUMMBGJMQ-IMIFBBOLSA-N",690]
["D13758",16704,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278113","C[C@H](NC(C)=O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C33H38FN9O4/c1-21(38-22(2)44)32(45)43-10-9-30(28(34)17-43)47-29-8-3-23(15-24(29)16-35)31-36-20-37-33(40-31)39-25-4-6-26(7-5-25)41-11-13-42(14-12-41)27-18-46-19-27/h3-8,15,20-21,27-28,30H,9-14,17-19H2,1-2H3,(H,38,44)(H,36,37,39,40)/t21-,28+,30-/m0/s1","WPKQKBMHWPJOGK-WPEDWUATSA-N",null,508]
["D13759",18514,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pancreatic elastase","Sus scrofa","BDM50014742","C[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)C(F)(F)F","InChI=1S/C17H25F3N4O5/c1-8(13(26)17(18,19)20)22-15(28)12-6-5-7-24(12)16(29)10(3)23-14(27)9(2)21-11(4)25/h8-10,12H,5-7H2,1-4H3,(H,21,25)(H,22,28)(H,23,27)/t8-,9-,10-,12-/m0/s1","WGJCUKQNQHAXLF-GMOBBJLQSA-N",150]
["D13760",728,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197537","C[C@H](NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C(=O)NC12CC3CC(CC(C3)C1)C2","InChI=1S/C19H34N4O5S/c1-12(22-29(27,28)23-16(18(25)26)4-2-3-5-20)17(24)21-19-9-13-6-14(10-19)8-15(7-13)11-19/h12-16,22-23H,2-11,20H2,1H3,(H,21,24)(H,25,26)/t12-,13?,14?,15?,16-,19?/m0/s1","JCWJMQFYTRMVQI-VYXJFRSESA-N",null,">30000"]
["D13761",15427,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397768","C[C@H](Nc1cc(cc(F)c1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)C","InChI=1S/C20H21FN6O2/c1-11(20(29)27(2)3)25-16-7-13(6-15(21)14(16)8-22)17-9-24-18(10-23-17)26-19(28)12-4-5-12/h6-7,9-12,25H,4-5H2,1-3H3,(H,24,26,28)/t11-/m0/s1","JZMXKHBLFALFHT-NSHDSACASA-N",null,25.1]
["D13762",14912,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397632","C[C@H](Nc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)C","InChI=1S/C20H22N6O2/c1-12(20(28)26(2)3)24-16-8-14(6-7-15(16)9-21)17-10-23-18(11-22-17)25-19(27)13-4-5-13/h6-8,10-13,24H,4-5H2,1-3H3,(H,23,25,27)/t12-/m0/s1","MXNYOKOBBMLJCE-LBPRGKRZSA-N",null,7.94]
["D13763",15366,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397650","C[C@H](Nc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)CCO","InChI=1S/C21H24N6O3/c1-13(21(30)27(2)7-8-28)25-17-9-15(5-6-16(17)10-22)18-11-24-19(12-23-18)26-20(29)14-3-4-14/h5-6,9,11-14,25,28H,3-4,7-8H2,1-2H3,(H,24,26,29)/t13-/m0/s1","RBPABSYEEXRCTE-ZDUSSCGKSA-N",null,20]
["D13764",16380,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397642","C[C@H](Nc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N1CC(O)C1","InChI=1S/C21H22N6O3/c1-12(21(30)27-10-16(28)11-27)25-17-6-14(4-5-15(17)7-22)18-8-24-19(9-23-18)26-20(29)13-2-3-13/h4-6,8-9,12-13,16,25,28H,2-3,10-11H2,1H3,(H,24,26,29)/t12-/m0/s1","HTICJCNFVLPBSH-LBPRGKRZSA-N",null,200]
["D13765",16381,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397640","C[C@H](Nc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N1CCC1","InChI=1S/C21H22N6O2/c1-13(21(29)27-7-2-8-27)25-17-9-15(5-6-16(17)10-22)18-11-24-19(12-23-18)26-20(28)14-3-4-14/h5-6,9,11-14,25H,2-4,7-8H2,1H3,(H,24,26,28)/t13-/m0/s1","JMZHYWXSWXWXMB-ZDUSSCGKSA-N",null,200]
["D13766",15812,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397641","C[C@H](Nc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N1CCCC1","InChI=1S/C22H24N6O2/c1-14(22(30)28-8-2-3-9-28)26-18-10-16(6-7-17(18)11-23)19-12-25-20(13-24-19)27-21(29)15-4-5-15/h6-7,10,12-15,26H,2-5,8-9H2,1H3,(H,25,27,29)/t14-/m0/s1","DQLCMERSALKHCT-AWEZNQCLSA-N",null,50.1]
["D13767",16698,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397644","C[C@H](Nc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)NCCO","InChI=1S/C20H22N6O3/c1-12(19(28)22-6-7-27)25-16-8-14(4-5-15(16)9-21)17-10-24-18(11-23-17)26-20(29)13-2-3-13/h4-5,8,10-13,25,27H,2-3,6-7H2,1H3,(H,22,28)(H,24,26,29)/t12-/m0/s1","UTFVIKBAQTYJAS-LBPRGKRZSA-N",null,501]
["D13768",16582,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397778","C[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC(C)(O)C2)cn1)C(=O)N(C)C","InChI=1S/C21H25N7O3/c1-12(20(30)28(3)4)26-15-5-13(9-23-16(15)8-22)17-10-25-18(11-24-17)27-19(29)14-6-21(2,31)7-14/h5,9-12,14,26,31H,6-7H2,1-4H3,(H,25,27,29)/t12-,14?,21?/m0/s1","URHVWPRPIIYVLE-LTKVMPMFSA-N",null,398]
["D13769",15951,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397779","C[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC(C)(O)C2)cn1)C(=O)N(C)CC(F)F","InChI=1S/C22H25F2N7O3/c1-12(21(33)31(3)11-18(23)24)29-15-4-13(8-26-16(15)7-25)17-9-28-19(10-27-17)30-20(32)14-5-22(2,34)6-14/h4,8-10,12,14,18,29,34H,5-6,11H2,1-3H3,(H,28,30,32)/t12-,14?,22?/m0/s1","FGEZVXROHFTEBA-SZECWLACSA-N",null,79.4]
["D13770",15356,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397760","C[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)C","InChI=1S/C19H21N7O2/c1-11(19(28)26(2)3)24-14-6-13(8-21-15(14)7-20)16-9-23-17(10-22-16)25-18(27)12-4-5-12/h6,8-12,24H,4-5H2,1-3H3,(H,23,25,27)/t11-/m0/s1","FVYYHMCSFFZPKR-NSHDSACASA-N",null,20]
["D13771",15361,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397700","C[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)C(C)C#N","InChI=1S/C21H22N8O2/c1-12(7-22)29(3)21(31)13(2)27-16-6-15(9-24-17(16)8-23)18-10-26-19(11-25-18)28-20(30)14-4-5-14/h6,9-14,27H,4-5H2,1-3H3,(H,26,28,30)/t12?,13-/m0/s1","HLPPSZVTUXFXNH-ABLWVSNPSA-N",null,20]
["D13772",15153,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397681","C[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)CC#N","InChI=1S/C20H20N8O2/c1-12(20(30)28(2)6-5-21)26-15-7-14(9-23-16(15)8-22)17-10-25-18(11-24-17)27-19(29)13-3-4-13/h7,9-13,26H,3-4,6H2,1-2H3,(H,25,27,29)/t12-/m0/s1","PMXOTQLXGJYJTC-LBPRGKRZSA-N",null,12.6]
["D13773",18286,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397684","C[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)CC(F)F","InChI=1S/C20H21F2N7O2/c1-11(20(31)29(2)10-17(21)22)27-14-5-13(7-24-15(14)6-23)16-8-26-18(9-25-16)28-19(30)12-3-4-12/h5,7-9,11-12,17,27H,3-4,10H2,1-2H3,(H,26,28,30)/t11-/m0/s1","UIKVLJAGIQEXMH-NSHDSACASA-N",null,2.51]
["D13774",16119,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397704","C[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)CC1CC1","InChI=1S/C22H25N7O2/c1-13(22(31)29(2)12-14-3-4-14)27-17-7-16(9-24-18(17)8-23)19-10-26-20(11-25-19)28-21(30)15-5-6-15/h7,9-11,13-15,27H,3-6,12H2,1-2H3,(H,26,28,30)/t13-/m0/s1","WLXRMJYMODRNGP-ZDUSSCGKSA-N",null,100]
["D13775",15069,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397685","C[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)CCF","InChI=1S/C20H22FN7O2/c1-12(20(30)28(2)6-5-21)26-15-7-14(9-23-16(15)8-22)17-10-25-18(11-24-17)27-19(29)13-3-4-13/h7,9-13,26H,3-6H2,1-2H3,(H,25,27,29)/t12-/m0/s1","AEKDMPHFVKHCPV-LBPRGKRZSA-N",null,10]
["D13776",16700,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397698","C[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)CCN(C)C","InChI=1S/C22H28N8O2/c1-14(22(32)30(4)8-7-29(2)3)27-17-9-16(11-24-18(17)10-23)19-12-26-20(13-25-19)28-21(31)15-5-6-15/h9,11-15,27H,5-8H2,1-4H3,(H,26,28,31)/t14-/m0/s1","IDQSBODMMTTYII-AWEZNQCLSA-N",null,501]
["D13777",15152,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397720","C[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)[C@@H](C)C#N","InChI=1S/C21H22N8O2/c1-12(7-22)29(3)21(31)13(2)27-16-6-15(9-24-17(16)8-23)18-10-26-19(11-25-18)28-20(30)14-4-5-14/h6,9-14,27H,4-5H2,1-3H3,(H,26,28,30)/t12-,13-/m0/s1","HLPPSZVTUXFXNH-STQMWFEESA-N",null,12.6]
["D13778",15429,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397719","C[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)[C@H](C)C#N","InChI=1S/C21H22N8O2/c1-12(7-22)29(3)21(31)13(2)27-16-6-15(9-24-17(16)8-23)18-10-26-19(11-25-18)28-20(30)14-4-5-14/h6,9-14,27H,4-5H2,1-3H3,(H,26,28,30)/t12-,13+/m1/s1","HLPPSZVTUXFXNH-OLZOCXBDSA-N",null,25.1]
["D13779",17398,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397705","C[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)c1cccnc1","InChI=1S/C23H22N8O2/c1-14(23(33)31(2)17-4-3-7-25-11-17)29-18-8-16(10-26-19(18)9-24)20-12-28-21(13-27-20)30-22(32)15-5-6-15/h3-4,7-8,10-15,29H,5-6H2,1-2H3,(H,28,30,32)/t14-/m0/s1","QUMPOSHRPNFVBZ-AWEZNQCLSA-N",null,3162]
["D13780",16323,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397724","C[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(CCO)CC#N","InChI=1S/C21H22N8O3/c1-13(21(32)29(5-4-22)6-7-30)27-16-8-15(10-24-17(16)9-23)18-11-26-19(12-25-18)28-20(31)14-2-3-14/h8,10-14,27,30H,2-3,5-7H2,1H3,(H,26,28,31)/t13-/m0/s1","LURPKLCKJBWUJJ-ZDUSSCGKSA-N",null,158]
["D13781",16324,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397710","C[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(CCO)CC(F)F","InChI=1S/C21H23F2N7O3/c1-12(21(33)30(4-5-31)11-18(22)23)28-15-6-14(8-25-16(15)7-24)17-9-27-19(10-26-17)29-20(32)13-2-3-13/h6,8-10,12-13,18,28,31H,2-5,11H2,1H3,(H,27,29,32)/t12-/m0/s1","GIWXSCHAPJTQRQ-LBPRGKRZSA-N",null,158]
["D13782",15428,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397686","C[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N1CCC[C@@H]1C#N","InChI=1S/C22H22N8O2/c1-13(22(32)30-6-2-3-16(30)8-23)28-17-7-15(10-25-18(17)9-24)19-11-27-20(12-26-19)29-21(31)14-4-5-14/h7,10-14,16,28H,2-6H2,1H3,(H,27,29,31)/t13-,16+/m0/s1","DTODHDMXLBMGCS-XJKSGUPXSA-N",null,25.1]
["D13783",15362,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397722","C[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N1CCOC[C@@H]1C","InChI=1S/C22H25N7O3/c1-13-12-32-6-5-29(13)22(31)14(2)27-17-7-16(9-24-18(17)8-23)19-10-26-20(11-25-19)28-21(30)15-3-4-15/h7,9-11,13-15,27H,3-6,12H2,1-2H3,(H,26,28,30)/t13-,14-/m0/s1","PTFSRLPUTRQYMP-KBPBESRZSA-N",null,20]
["D13784",15267,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397712","C[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N1CCOC[C@@H]1C#N","InChI=1S/C22H22N8O3/c1-13(22(32)30-4-5-33-12-16(30)7-23)28-17-6-15(9-25-18(17)8-24)19-10-27-20(11-26-19)29-21(31)14-2-3-14/h6,9-11,13-14,16,28H,2-5,12H2,1H3,(H,27,29,31)/t13-,16-/m0/s1","NEZGQEVMNZOEMQ-BBRMVZONSA-N",null,15.8]
["D13785",15735,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397691","C[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N1CCO[C@@H]1C(F)(F)F","InChI=1S/C21H20F3N7O3/c1-11(19(33)31-4-5-34-20(31)21(22,23)24)29-14-6-13(8-26-15(14)7-25)16-9-28-17(10-27-16)30-18(32)12-2-3-12/h6,8-12,20,29H,2-5H2,1H3,(H,28,30,32)/t11-,20+/m0/s1","IZWFFZFSALKBKX-PRWKNARSSA-N",null,39.8]
["D13786",16931,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397692","C[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N1CCO[C@H]1C(F)(F)F","InChI=1S/C21H20F3N7O3/c1-11(19(33)31-4-5-34-20(31)21(22,23)24)29-14-6-13(8-26-15(14)7-25)16-9-28-17(10-27-16)30-18(32)12-2-3-12/h6,8-12,20,29H,2-5H2,1H3,(H,28,30,32)/t11-,20-/m0/s1","IZWFFZFSALKBKX-YBTHPKLGSA-N",null,1000]
["D13787",15357,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397770","C[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N1CC[C@H](F)C1","InChI=1S/C21H22FN7O2/c1-12(21(31)29-5-4-15(22)11-29)27-16-6-14(8-24-17(16)7-23)18-9-26-19(10-25-18)28-20(30)13-2-3-13/h6,8-10,12-13,15,27H,2-5,11H2,1H3,(H,26,28,30)/t12-,15-/m0/s1","DNMZSJDQZVLSCL-WFASDCNBSA-N",null,20]
["D13788",16320,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397749","C[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)NC1CC1(F)F","InChI=1S/C20H19F2N7O2/c1-10(18(30)28-16-5-20(16,21)22)27-13-4-12(7-24-14(13)6-23)15-8-26-17(9-25-15)29-19(31)11-2-3-11/h4,7-11,16,27H,2-3,5H2,1H3,(H,28,30)(H,26,29,31)/t10-,16?/m0/s1","IJEQTULGFHUIBD-VQVVDHBBSA-N",null,158]
["D13789",16121,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397748","C[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)NCC(C)(F)F","InChI=1S/C20H21F2N7O2/c1-11(18(30)27-10-20(2,21)22)28-14-5-13(7-24-15(14)6-23)16-8-26-17(9-25-16)29-19(31)12-3-4-12/h5,7-9,11-12,28H,3-4,10H2,1-2H3,(H,27,30)(H,26,29,31)/t11-/m0/s1","YBDCURWIJMPZLC-NSHDSACASA-N",null,100]
["D13790",15809,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397747","C[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)NCC(F)(F)F","InChI=1S/C19H18F3N7O2/c1-10(17(30)27-9-19(20,21)22)28-13-4-12(6-24-14(13)5-23)15-7-26-16(8-25-15)29-18(31)11-2-3-11/h4,6-8,10-11,28H,2-3,9H2,1H3,(H,27,30)(H,26,29,31)/t10-/m0/s1","SQIUHIDTBKOKMU-JTQLQIEISA-N",null,50.1]
["D13791",15365,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397745","C[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)NCC(F)F","InChI=1S/C19H19F2N7O2/c1-10(18(29)26-8-16(20)21)27-13-4-12(6-23-14(13)5-22)15-7-25-17(9-24-15)28-19(30)11-2-3-11/h4,6-7,9-11,16,27H,2-3,8H2,1H3,(H,26,29)(H,25,28,30)/t10-/m0/s1","VGZZWMYVDVVJRI-JTQLQIEISA-N",null,20]
["D13792",14591,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397717","C[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2C)cn1)C(=O)N(C)CC(F)F","InChI=1S/C21H23F2N7O2/c1-11-4-14(11)20(31)29-19-9-26-17(8-27-19)13-5-15(16(6-24)25-7-13)28-12(2)21(32)30(3)10-18(22)23/h5,7-9,11-12,14,18,28H,4,10H2,1-3H3,(H,27,29,31)/t11?,12-,14?/m0/s1","KZTBNBBPQBYLCT-LXVYMNJGSA-N",null,3.98]
["D13793",14913,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397777","C[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2CO)cn1)C(=O)N(C)CC(F)F","InChI=1S/C21H23F2N7O3/c1-11(21(33)30(2)9-18(22)23)28-15-4-12(6-25-16(15)5-24)17-7-27-19(8-26-17)29-20(32)14-3-13(14)10-31/h4,6-8,11,13-14,18,28,31H,3,9-10H2,1-2H3,(H,27,29,32)/t11-,13?,14?/m0/s1","LAUKGDDXUMWGGX-XGNXJENSSA-N",null,7.94]
["D13794",15265,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397781","C[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CCC2)cn1)C(=O)N(C)CC(F)F","InChI=1S/C21H23F2N7O2/c1-12(21(32)30(2)11-18(22)23)28-15-6-14(8-25-16(15)7-24)17-9-27-19(10-26-17)29-20(31)13-4-3-5-13/h6,8-10,12-13,18,28H,3-5,11H2,1-2H3,(H,27,29,31)/t12-/m0/s1","JHMFCCNGENWSGI-LBPRGKRZSA-N",null,15.8]
["D13795",15363,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397739","C[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)[C@@H]2C[C@@H]2C)cn1)C(=O)N(C)C","InChI=1S/C20H23N7O2/c1-11-5-14(11)19(28)26-18-10-23-17(9-24-18)13-6-15(16(7-21)22-8-13)25-12(2)20(29)27(3)4/h6,8-12,14,25H,5H2,1-4H3,(H,24,26,28)/t11-,12-,14+/m0/s1","BTBWXCXEIUTBKY-SGMGOOAPSA-N",null,20]
["D13796",15270,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397738","C[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)[C@@H]2C[C@H]2C)cn1)C(=O)N(C)C","InChI=1S/C20H23N7O2/c1-11-5-14(11)19(28)26-18-10-23-17(9-24-18)13-6-15(16(7-21)22-8-13)25-12(2)20(29)27(3)4/h6,8-12,14,25H,5H2,1-4H3,(H,24,26,28)/t11-,12+,14-/m1/s1","BTBWXCXEIUTBKY-MBNYWOFBSA-N",null,15.8]
["D13797",15732,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397737","C[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)[C@H]2C[C@@H]2C)cn1)C(=O)N(C)C","InChI=1S/C20H23N7O2/c1-11-5-14(11)19(28)26-18-10-23-17(9-24-18)13-6-15(16(7-21)22-8-13)25-12(2)20(29)27(3)4/h6,8-12,14,25H,5H2,1-4H3,(H,24,26,28)/t11-,12-,14-/m0/s1","BTBWXCXEIUTBKY-OBJOEFQTSA-N",null,39.8]
["D13798",15881,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397740","C[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)[C@H]2C[C@H]2C)cn1)C(=O)N(C)C","InChI=1S/C20H23N7O2/c1-11-5-14(11)19(28)26-18-10-23-17(9-24-18)13-6-15(16(7-21)22-8-13)25-12(2)20(29)27(3)4/h6,8-12,14,25H,5H2,1-4H3,(H,24,26,28)/t11-,12+,14+/m1/s1","BTBWXCXEIUTBKY-DYEKYZERSA-N",null,63.1]
["D13799",17687,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278235","C[C@H](O)C(=O)C1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3cnn(c3)C(F)F)n2)[C@H](F)C1","InChI=1S/C23H22F3N7O3/c1-12(34)20(35)13-2-5-19(17(24)7-13)36-18-4-3-14(6-15(18)8-27)21-28-11-29-23(32-21)31-16-9-30-33(10-16)22(25)26/h3-4,6,9-13,17,19,22,34H,2,5,7H2,1H3,(H,28,29,31,32)/t12-,13?,17+,19-/m0/s1","GYWLFQSDBLJYMO-ADDFLJRMSA-N",null,13000,{"$nulls":4},7]
["D13800",15102,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277958","C[C@H](O)C(=O)N1CC(F)C(Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C(C)(C)C1","InChI=1S/C33H39FN8O4/c1-21(43)31(44)42-16-27(34)29(33(2,3)19-42)46-28-9-4-22(14-23(28)15-35)30-36-20-37-32(39-30)38-24-5-7-25(8-6-24)40-10-12-41(13-11-40)26-17-45-18-26/h4-9,14,20-21,26-27,29,43H,10-13,16-19H2,1-3H3,(H,36,37,38,39)/t21-,27?,29?/m0/s1","PABILLJNIAUKLW-OISPARGKSA-N",null,11]
["D13801",15077,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277976","C[C@H](O)C(=O)N1CC(Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C(F)(F)C1","InChI=1S/C30H32F2N8O4/c1-19(41)28(42)40-14-26(30(31,32)17-40)44-25-7-2-20(12-21(25)13-33)27-34-18-35-29(37-27)36-22-3-5-23(6-4-22)38-8-10-39(11-9-38)24-15-43-16-24/h2-7,12,18-19,24,26,41H,8-11,14-17H2,1H3,(H,34,35,36,37)/t19-,26?/m0/s1","QFPCJUDBHIMOMC-SXMXNQBWSA-N",null,10]
["D13802",16710,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277912","C[C@H](O)C(=O)N1CCC(CC1)Oc1cc(cc(c1)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C#N","InChI=1S/C31H36N8O4/c1-21(40)30(41)39-8-6-27(7-9-39)43-28-15-22(17-32)14-23(16-28)29-33-20-34-31(36-29)35-24-2-4-25(5-3-24)37-10-12-38(13-11-37)26-18-42-19-26/h2-5,14-16,20-21,26-27,40H,6-13,18-19H2,1H3,(H,33,34,35,36)/t21-/m0/s1","DOWWENLAAPMZKO-NRFANRHFSA-N",null,520]
["D13803",14817,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277801","C[C@H](O)C(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)C2CCN(CC2)C2COC2)n1","InChI=1S/C32H37N7O4/c1-21(40)31(41)39-14-10-28(11-15-39)43-29-7-4-24(16-25(29)17-33)30-34-20-35-32(37-30)36-26-5-2-22(3-6-26)23-8-12-38(13-9-23)27-18-42-19-27/h2-7,16,20-21,23,27-28,40H,8-15,18-19H2,1H3,(H,34,35,36,37)/t21-/m0/s1","AAEIQQDLGQELDQ-NRFANRHFSA-N",null,6]
["D13804",14721,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277793","C[C@H](O)C(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C31H36N8O4/c1-21(40)30(41)39-10-8-27(9-11-39)43-28-7-2-22(16-23(28)17-32)29-33-20-34-31(36-29)35-24-3-5-25(6-4-24)37-12-14-38(15-13-37)26-18-42-19-26/h2-7,16,20-21,26-27,40H,8-15,18-19H2,1H3,(H,33,34,35,36)/t21-/m0/s1","TZTWYTJHTXOVKK-NRFANRHFSA-N",null,5]
["D13805",14925,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278003","C[C@H](O)C(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCO[C@@H](CO)C2)n1","InChI=1S/C29H33N7O5/c1-19(38)28(39)35-10-8-24(9-11-35)41-26-7-2-20(14-21(26)15-30)27-31-18-32-29(34-27)33-22-3-5-23(6-4-22)36-12-13-40-25(16-36)17-37/h2-7,14,18-19,24-25,37-38H,8-13,16-17H2,1H3,(H,31,32,33,34)/t19-,25+/m0/s1","ONAUYOQFBMXAJV-UQBPGWFLSA-N",null,8]
["D13806",18273,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277042","C[C@H](O)C(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(nc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C30H31N7O4/c1-19(38)30(39)37-10-8-24(9-11-37)41-25-7-4-21(16-22(25)17-31)26-27-29(33-18-32-26)35-28(34-27)20-2-5-23(6-3-20)36-12-14-40-15-13-36/h2-7,16,18-19,24,38H,8-15H2,1H3,(H,32,33,34,35)/t19-/m0/s1","JRUUUQJSPLDEOT-IBGZPJMESA-N",null,2.34]
["D13807",14474,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278147","C[C@H](O)C(=O)N1CCC(Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(N4CCN(CC4)C4COC4)c(c3)C#N)n2)[C@H](F)C1","InChI=1S/C32H34FN9O4/c1-20(43)31(44)42-7-6-29(26(33)16-42)46-28-5-2-21(12-23(28)15-35)30-36-19-37-32(39-30)38-24-3-4-27(22(13-24)14-34)41-10-8-40(9-11-41)25-17-45-18-25/h2-5,12-13,19-20,25-26,29,43H,6-11,16-18H2,1H3,(H,36,37,38,39)/t20-,26+,29?/m0/s1","GVDACVANNMZVPA-TZTRIWSSSA-N",null,3]
["D13808",17232,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278140","C[C@H](O)C(=O)N1CCC(Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CC4CCC(C3)O4)n2)[C@H](F)C1","InChI=1S/C30H32FN7O4/c1-18(39)29(40)37-11-10-27(25(31)16-37)42-26-9-2-19(12-20(26)13-32)28-33-17-34-30(36-28)35-21-3-5-22(6-4-21)38-14-23-7-8-24(15-38)41-23/h2-6,9,12,17-18,23-25,27,39H,7-8,10-11,14-16H2,1H3,(H,33,34,35,36)/t18-,23?,24?,25+,27?/m0/s1","NFAWZOJBLCKAMG-FJORYIBESA-N",null,2000,{"$nulls":4},7]
["D13809",14985,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277932","C[C@H](O)C(=O)N1CCC(Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C(F)(F)C1","InChI=1S/C31H34F2N8O4/c1-20(42)29(43)41-9-8-27(31(32,33)18-41)45-26-7-2-21(14-22(26)15-34)28-35-19-36-30(38-28)37-23-3-5-24(6-4-23)39-10-12-40(13-11-39)25-16-44-17-25/h2-7,14,19-20,25,27,42H,8-13,16-18H2,1H3,(H,35,36,37,38)/t20-,27?/m0/s1","YSIJLTHURUGKOW-SVQMELKDSA-N",null,1]
["D13810",14997,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278006","C[C@H](O)C(=O)N1CCC(Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCO[C@@H](CO)C3)n2)C(F)(F)C1","InChI=1S/C29H31F2N7O5/c1-18(40)27(41)38-9-8-25(29(30,31)16-38)43-24-7-2-19(12-20(24)13-32)26-33-17-34-28(36-26)35-21-3-5-22(6-4-21)37-10-11-42-23(14-37)15-39/h2-7,12,17-18,23,25,39-40H,8-11,14-16H2,1H3,(H,33,34,35,36)/t18-,23+,25?/m0/s1","NTQCFSMONMPRRK-UTUDTCQOSA-N",null,1]
["D13811",15304,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278137","C[C@H](O)C(=O)N1CCCC(CC1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C32H38N8O4/c1-22(41)31(42)40-11-2-3-28(10-12-40)44-29-9-4-23(17-24(29)18-33)30-34-21-35-32(37-30)36-25-5-7-26(8-6-25)38-13-15-39(16-14-38)27-19-43-20-27/h4-9,17,21-22,27-28,41H,2-3,10-16,19-20H2,1H3,(H,34,35,36,37)/t22-,28?/m0/s1","KFWQNIISZYDVJT-XYXHBKGXSA-N",null,17]
["D13812",15710,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277906","C[C@H](O)C(=O)N1CCC[C@@H](C1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C31H36N8O4/c1-21(40)30(41)39-10-2-3-27(17-39)43-28-9-4-22(15-23(28)16-32)29-33-20-34-31(36-29)35-24-5-7-25(8-6-24)37-11-13-38(14-12-37)26-18-42-19-26/h4-9,15,20-21,26-27,40H,2-3,10-14,17-19H2,1H3,(H,33,34,35,36)/t21-,27-/m0/s1","MQWNFCUBWFZLCV-IDISGSTGSA-N",null,37]
["D13813",15843,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277904","C[C@H](O)C(=O)N1CCC[C@H](C1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C31H36N8O4/c1-21(40)30(41)39-10-2-3-27(17-39)43-28-9-4-22(15-23(28)16-32)29-33-20-34-31(36-29)35-24-5-7-25(8-6-24)37-11-13-38(14-12-37)26-18-42-19-26/h4-9,15,20-21,26-27,40H,2-3,10-14,17-19H2,1H3,(H,33,34,35,36)/t21-,27+/m0/s1","MQWNFCUBWFZLCV-KDYSTLNUSA-N",null,56]
["D13814",15076,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277959","C[C@H](O)C(=O)N1CC[C@@H](C[C@@H]1C)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C32H38N8O4/c1-21-15-28(9-10-40(21)31(42)22(2)41)44-29-8-3-23(16-24(29)17-33)30-34-20-35-32(37-30)36-25-4-6-26(7-5-25)38-11-13-39(14-12-38)27-18-43-19-27/h3-8,16,20-22,27-28,41H,9-15,18-19H2,1-2H3,(H,34,35,36,37)/t21-,22-,28-/m0/s1","WXHYZVLRPXCVBN-VPYPWEPUSA-N",null,10]
["D13815",15803,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277961","C[C@H](O)C(=O)N1CC[C@@H](C[C@H]1C)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C32H38N8O4/c1-21-15-28(9-10-40(21)31(42)22(2)41)44-29-8-3-23(16-24(29)17-33)30-34-20-35-32(37-30)36-25-4-6-26(7-5-25)38-11-13-39(14-12-38)27-18-43-19-27/h3-8,16,20-22,27-28,41H,9-15,18-19H2,1-2H3,(H,34,35,36,37)/t21-,22+,28+/m1/s1","WXHYZVLRPXCVBN-WENCSYSZSA-N",null,50]
["D13816",15302,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278023","C[C@H](O)C(=O)N1CC[C@@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(C4COC4)[C@H](C)C3)n2)C(F)(F)C1","InChI=1S/C32H36F2N8O4/c1-20-15-40(11-12-42(20)26-16-45-17-26)25-6-4-24(5-7-25)38-31-37-19-36-29(39-31)22-3-8-27(23(13-22)14-35)46-28-9-10-41(18-32(28,33)34)30(44)21(2)43/h3-8,13,19-21,26,28,43H,9-12,15-18H2,1-2H3,(H,36,37,38,39)/t20-,21+,28-/m1/s1","QMNCWTOVWSKQHV-PHVLTXCSSA-N",null,17]
["D13817",15283,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277934","C[C@H](O)C(=O)N1CC[C@@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C(F)(F)C1","InChI=1S/C31H34F2N8O4/c1-20(42)29(43)41-9-8-27(31(32,33)18-41)45-26-7-2-21(14-22(26)15-34)28-35-19-36-30(38-28)37-23-3-5-24(6-4-23)39-10-12-40(13-11-39)25-16-44-17-25/h2-7,14,19-20,25,27,42H,8-13,16-18H2,1H3,(H,35,36,37,38)/t20-,27+/m0/s1","YSIJLTHURUGKOW-CCLHPLFOSA-N",null,16]
["D13818",14648,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278012","C[C@H](O)C(=O)N1CC[C@@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C31H35FN8O4/c1-20(41)30(42)40-9-8-28(26(32)16-40)44-27-7-2-21(14-22(27)15-33)29-34-19-35-31(37-29)36-23-3-5-24(6-4-23)38-10-12-39(13-11-38)25-17-43-18-25/h2-7,14,19-20,25-26,28,41H,8-13,16-18H2,1H3,(H,34,35,36,37)/t20-,26+,28+/m0/s1","SLSXOXVMJVWWMJ-TUDQOENJSA-N",null,4]
["D13819",18151,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277869","C[C@H](O)C(=O)N1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C30H34N8O4/c1-20(39)29(40)38-9-8-26(16-38)42-27-7-2-21(14-22(27)15-31)28-32-19-33-30(35-28)34-23-3-5-24(6-4-23)36-10-12-37(13-11-36)25-17-41-18-25/h2-7,14,19-20,25-26,39H,8-13,16-18H2,1H3,(H,32,33,34,35)/t20-,26+/m0/s1","VHRGHGDLSYNJGT-RXFWQSSRSA-N",null,145000,{"$nulls":4},7]
["D13820",15723,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276919","C[C@H](O)C(=O)N1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(nc12)-c1ccc(cc1)N1CCOCC1",{"$nulls":3},38.9,{"$nulls":4},7]
["D13821",16714,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278368","C[C@H](O)C(=O)N1CC[C@H](COc2cc(cc(c2)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C#N)C1","InChI=1S/C31H36N8O4/c1-21(40)30(41)39-7-6-22(16-39)17-43-28-13-23(15-32)12-24(14-28)29-33-20-34-31(36-29)35-25-2-4-26(5-3-25)37-8-10-38(11-9-37)27-18-42-19-27/h2-5,12-14,20-22,27,40H,6-11,16-19H2,1H3,(H,33,34,35,36)/t21-,22-/m0/s1","MNZJWHIMKZAPIA-VXKWHMMOSA-N",null,528]
["D13822",15990,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277963","C[C@H](O)C(=O)N1CC[C@H](C[C@H]1C)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C32H38N8O4/c1-21-15-28(9-10-40(21)31(42)22(2)41)44-29-8-3-23(16-24(29)17-33)30-34-20-35-32(37-30)36-25-4-6-26(7-5-25)38-11-13-39(14-12-38)27-18-43-19-27/h3-8,16,20-22,27-28,41H,9-15,18-19H2,1-2H3,(H,34,35,36,37)/t21-,22+,28-/m1/s1","WXHYZVLRPXCVBN-RZIGYZOXSA-N",null,94]
["D13823",16276,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278391","C[C@H](O)C(=O)N1CC[C@H](Nc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C31H36FN9O3/c1-20(42)30(43)41-9-8-28(26(32)16-41)37-27-7-2-21(14-22(27)15-33)29-34-19-35-31(38-29)36-23-3-5-24(6-4-23)39-10-12-40(13-11-39)25-17-44-18-25/h2-7,14,19-20,25-26,28,37,42H,8-13,16-18H2,1H3,(H,34,35,36,38)/t20-,26+,28-/m0/s1","MKECDRFXSXEHFK-GFNGZDJJSA-N",null,128]
["D13824",15285,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278299","C[C@H](O)C(=O)N1CC[C@H](Oc2c(C)cc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C32H37FN8O4/c1-20-13-22(14-23(15-34)29(20)45-28-7-8-41(16-27(28)33)31(43)21(2)42)30-35-19-36-32(38-30)37-24-3-5-25(6-4-24)39-9-11-40(12-10-39)26-17-44-18-26/h3-6,13-14,19,21,26-28,42H,7-12,16-18H2,1-2H3,(H,35,36,37,38)/t21-,27+,28-/m0/s1","FDPGNOYDIIBHIT-TXQOIQMMSA-N",null,16]
["D13825",14638,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278106","C[C@H](O)C(=O)N1CC[C@H](Oc2c(F)cc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C31H34F2N8O4/c1-19(42)30(43)41-7-6-27(26(33)15-41)45-28-21(14-34)12-20(13-25(28)32)29-35-18-36-31(38-29)37-22-2-4-23(5-3-22)39-8-10-40(11-9-39)24-16-44-17-24/h2-5,12-13,18-19,24,26-27,42H,6-11,15-17H2,1H3,(H,35,36,37,38)/t19-,26+,27-/m0/s1","NOSYFZABABDOFQ-PIVNMMCNSA-N",null,4]
["D13826",14468,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278265","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(C4CCN(C)CC4)c(C)c3)n2)[C@H](F)C1","InChI=1S/C31H36FN7O3/c1-19-14-24(5-6-25(19)21-8-11-38(3)12-9-21)36-31-35-18-34-29(37-31)22-4-7-27(23(15-22)16-33)42-28-10-13-39(17-26(28)32)30(41)20(2)40/h4-7,14-15,18,20-21,26,28,40H,8-13,17H2,1-3H3,(H,34,35,36,37)/t20-,26+,28-/m0/s1","WUOSUEXRIIWVRA-GFNGZDJJSA-N",null,3]
["D13827",14658,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM375585","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(C4CCN(CC4)C4CCOCC4)c(F)c3)n2)[C@H](F)C1","InChI=1S/C34H39F2N7O4/c1-21(44)33(45)43-13-8-31(29(36)19-43)47-30-5-2-23(16-24(30)18-37)32-38-20-39-34(41-32)40-25-3-4-27(28(35)17-25)22-6-11-42(12-7-22)26-9-14-46-15-10-26/h2-5,16-17,20-22,26,29,31,44H,6-15,19H2,1H3,(H,38,39,40,41)/t21-,29+,31-/m0/s1","BCPZVZDYGYPCDP-ASVQBKGPSA-N",null,4]
["D13828",17435,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278088","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(C4CCN(CC4)C4COC4)c(F)c3)n2)[C@H](F)C1","InChI=1S/C32H35F2N7O4/c1-19(42)31(43)41-11-8-29(27(34)15-41)45-28-5-2-21(12-22(28)14-35)30-36-18-37-32(39-30)38-23-3-4-25(26(33)13-23)20-6-9-40(10-7-20)24-16-44-17-24/h2-5,12-13,18-20,24,27,29,42H,6-11,15-17H2,1H3,(H,36,37,38,39)/t19-,27+,29-/m0/s1","DQNFWMLZDYPLJC-OFIANZKKSA-N",null,4000,{"$nulls":4},7]
["D13829",17155,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278271","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(C4CCN(CC4)C=O)c(C)c3)n2)[C@H](F)C1","InChI=1S/C31H34FN7O4/c1-19-13-24(4-5-25(19)21-7-10-38(18-40)11-8-21)36-31-35-17-34-29(37-31)22-3-6-27(23(14-22)15-33)43-28-9-12-39(16-26(28)32)30(42)20(2)41/h3-6,13-14,17-18,20-21,26,28,41H,7-12,16H2,1-2H3,(H,34,35,36,37)/t20-,26+,28-/m0/s1","XYLDHWOGWNKCSD-GFNGZDJJSA-N",null,2000,{"$nulls":4},7]
["D13830",16661,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278174","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(N4CCN(CC4)C4COC4)c(C)c3)n2)[C@H](F)C1","InChI=1S/C32H37FN8O4/c1-20-13-24(4-5-27(20)40-11-9-39(10-12-40)25-17-44-18-25)37-32-36-19-35-30(38-32)22-3-6-28(23(14-22)15-34)45-29-7-8-41(16-26(29)33)31(43)21(2)42/h3-6,13-14,19,21,25-26,29,42H,7-12,16-18H2,1-2H3,(H,35,36,37,38)/t21-,26+,29-/m0/s1","HAGNMCNHHLNEOO-BFJTUWMXSA-N",null,2]
["D13831",16654,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278156","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(N4CCN(CC4)C4COC4)c(Cl)c3)n2)[C@H](F)C1","InChI=1S/C31H34ClFN8O4/c1-19(42)30(43)41-7-6-28(25(33)15-41)45-27-5-2-20(12-21(27)14-34)29-35-18-36-31(38-29)37-22-3-4-26(24(32)13-22)40-10-8-39(9-11-40)23-16-44-17-23/h2-5,12-13,18-19,23,25,28,42H,6-11,15-17H2,1H3,(H,35,36,37,38)/t19-,25+,28-/m0/s1","DGEOOPHPKHRRQY-XECDKEEKSA-N",null,2]
["D13832",14472,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278145","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(N4CCN(CC4)C4COC4)c(F)c3)n2)[C@H](F)C1","InChI=1S/C31H34F2N8O4/c1-19(42)30(43)41-7-6-28(25(33)15-41)45-27-5-2-20(12-21(27)14-34)29-35-18-36-31(38-29)37-22-3-4-26(24(32)13-22)40-10-8-39(9-11-40)23-16-44-17-23/h2-5,12-13,18-19,23,25,28,42H,6-11,15-17H2,1H3,(H,35,36,37,38)/t19-,25+,28-/m0/s1","JEMDRFBLFIDJPO-XECDKEEKSA-N",null,3]
["D13833",16660,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278173","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(N4CCN(CC4)C4COC4)c(OC(F)F)c3)n2)[C@H](F)C1","InChI=1S/C32H35F3N8O5/c1-19(44)30(45)43-7-6-27(24(33)15-43)47-26-5-2-20(12-21(26)14-36)29-37-18-38-32(40-29)39-22-3-4-25(28(13-22)48-31(34)35)42-10-8-41(9-11-42)23-16-46-17-23/h2-5,12-13,18-19,23-24,27,31,44H,6-11,15-17H2,1H3,(H,37,38,39,40)/t19-,24+,27-/m0/s1","OAPMPFIIVDHDKO-MATUZCBOSA-N",null,2]
["D13834",14738,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278148","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(N4CCN(CC4)C4COC4)c(c3)C(F)(F)F)n2)[C@H](F)C1","InChI=1S/C32H34F4N8O4/c1-19(45)30(46)44-7-6-28(25(33)15-44)48-27-5-2-20(12-21(27)14-37)29-38-18-39-31(41-29)40-22-3-4-26(24(13-22)32(34,35)36)43-10-8-42(9-11-43)23-16-47-17-23/h2-5,12-13,18-19,23,25,28,45H,6-11,15-17H2,1H3,(H,38,39,40,41)/t19-,25+,28-/m0/s1","HXJYJSGCYFYFLE-XECDKEEKSA-N",null,5]
["D13835",16652,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278149","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(N4CCN(CC4)C4COC4)c(c3)C(F)F)n2)[C@H](F)C1","InChI=1S/C32H35F3N8O4/c1-19(44)31(45)43-7-6-28(25(33)15-43)47-27-5-2-20(12-21(27)14-36)30-37-18-38-32(40-30)39-22-3-4-26(24(13-22)29(34)35)42-10-8-41(9-11-42)23-16-46-17-23/h2-5,12-13,18-19,23,25,28-29,44H,6-11,15-17H2,1H3,(H,37,38,39,40)/t19-,25+,28-/m0/s1","IXFMTHRDIHBJHW-XECDKEEKSA-N",null,2]
["D13836",15368,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278318","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(NC(C)=O)nc3)n2)[C@H](F)C1","InChI=1S/C25H25FN8O4/c1-14(35)24(37)34-8-7-21(19(26)12-34)38-20-5-3-16(9-17(20)10-27)23-29-13-30-25(33-23)32-18-4-6-22(28-11-18)31-15(2)36/h3-6,9,11,13-14,19,21,35H,7-8,12H2,1-2H3,(H,28,31,36)(H,29,30,32,33)/t14-,19+,21-/m0/s1","YILMILHQOYYLQQ-ZKYUUJBMSA-N",null,20]
["D13837",17318,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278178","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(O[C@H]4CCN(C)C[C@H]4F)cc3)n2)[C@H](F)C1","InChI=1S/C30H33F2N7O4/c1-18(40)29(41)39-12-10-27(24(32)16-39)43-25-8-3-19(13-20(25)14-33)28-34-17-35-30(37-28)36-21-4-6-22(7-5-21)42-26-9-11-38(2)15-23(26)31/h3-8,13,17-18,23-24,26-27,40H,9-12,15-16H2,1-2H3,(H,34,35,36,37)/t18-,23+,24+,26-,27-/m0/s1","IHWPMUHWLMAGRM-PJWMMJPUSA-N",null,3000,{"$nulls":4},7]
["D13838",17319,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278179","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(O[C@H]4CCN(C[C@H]4F)C4COC4)cc3)n2)[C@H](F)C1","InChI=1S/C32H35F2N7O5/c1-19(42)31(43)41-11-9-29(26(34)15-41)46-27-7-2-20(12-21(27)13-35)30-36-18-37-32(39-30)38-22-3-5-24(6-4-22)45-28-8-10-40(14-25(28)33)23-16-44-17-23/h2-7,12,18-19,23,25-26,28-29,42H,8-11,14-17H2,1H3,(H,36,37,38,39)/t19-,25+,26+,28-,29-/m0/s1","GFUZNXPSFSEACI-CIDURVTGSA-N",null,3000,{"$nulls":4},7]
["D13839",17306,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278254","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)-c3ccn(C)c(=O)c3)n2)[C@H](F)C1","InChI=1S/C30H28FN7O4/c1-18(39)29(41)38-12-10-26(24(31)16-38)42-25-8-5-21(13-22(25)15-32)28-33-17-34-30(36-28)35-23-6-3-19(4-7-23)20-9-11-37(2)27(40)14-20/h3-9,11,13-14,17-18,24,26,39H,10,12,16H2,1-2H3,(H,33,34,35,36)/t18-,24+,26-/m0/s1","SRIFSUWDDPLONW-FODJJAHYSA-N",null,3000,{"$nulls":4},7]
["D13840",14712,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278332","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)-n3ccnc3)n2)[C@H](F)C1","InChI=1S/C27H25FN8O3/c1-17(37)26(38)35-10-8-24(22(28)14-35)39-23-7-2-18(12-19(23)13-29)25-31-15-32-27(34-25)33-20-3-5-21(6-4-20)36-11-9-30-16-36/h2-7,9,11-12,15-17,22,24,37H,8,10,14H2,1H3,(H,31,32,33,34)/t17-,22+,24-/m0/s1","IXEXMSDQIVNECG-YJGRUCBDSA-N",null,5]
["D13841",14624,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277898","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)C(=O)N3CCN(C)CC3)n2)[C@H](F)C1","InChI=1S/C30H33FN8O4/c1-19(40)28(41)39-10-9-26(24(31)17-39)43-25-8-5-21(15-22(25)16-32)27-33-18-34-30(36-27)35-23-6-3-20(4-7-23)29(42)38-13-11-37(2)12-14-38/h3-8,15,18-19,24,26,40H,9-14,17H2,1-2H3,(H,33,34,35,36)/t19-,24+,26-/m0/s1","ICTZCEFKLIZUFV-LNXUECGXSA-N",null,4]
["D13842",17348,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278089","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)C3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C32H36FN7O4/c1-20(41)31(42)40-13-10-29(27(33)16-40)44-28-7-4-23(14-24(28)15-34)30-35-19-36-32(38-30)37-25-5-2-21(3-6-25)22-8-11-39(12-9-22)26-17-43-18-26/h2-7,14,19-20,22,26-27,29,41H,8-13,16-18H2,1H3,(H,35,36,37,38)/t20-,27+,29-/m0/s1","IFNASLLOEPLWNG-XHGLXQHVSA-N",null,3000,{"$nulls":4},7]
["D13843",17344,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278071","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)C3CCOCC3)n2)[C@H](F)C1","InChI=1S/C29H31FN6O4/c1-18(37)28(38)36-11-8-26(24(30)16-36)40-25-7-4-21(14-22(25)15-31)27-32-17-33-29(35-27)34-23-5-2-19(3-6-23)20-9-12-39-13-10-20/h2-7,14,17-18,20,24,26,37H,8-13,16H2,1H3,(H,32,33,34,35)/t18-,24+,26-/m0/s1","JOMSKNSFOAKBRO-FODJJAHYSA-N",null,3000,{"$nulls":4},7]
["D13844",14471,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278144","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3C4CC3COC4)n2)[C@H](F)C1","InChI=1S/C29H30FN7O4/c1-17(38)28(39)36-9-8-26(24(30)13-36)41-25-7-2-18(10-19(25)12-31)27-32-16-33-29(35-27)34-20-3-5-21(6-4-20)37-22-11-23(37)15-40-14-22/h2-7,10,16-17,22-24,26,38H,8-9,11,13-15H2,1H3,(H,32,33,34,35)/t17-,22?,23?,24+,26-/m0/s1","GRPKFQBLNWZZJC-JAPPIBBESA-N",null,3]
["D13845",16640,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278120","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CC(C)(O)C3)n2)[C@H](F)C1","InChI=1S/C28H30FN7O4/c1-17(37)26(38)35-10-9-24(22(29)13-35)40-23-8-3-18(11-19(23)12-30)25-31-16-32-27(34-25)33-20-4-6-21(7-5-20)36-14-28(2,39)15-36/h3-8,11,16-17,22,24,37,39H,9-10,13-15H2,1-2H3,(H,31,32,33,34)/t17-,22+,24-/m0/s1","BCJYHHLGHKUOPD-YJGRUCBDSA-N",null,2]
["D13846",14659,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278091","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CC4(C3)CCOCC4)n2)[C@H](F)C1","InChI=1S/C31H34FN7O4/c1-20(40)29(41)38-11-8-27(25(32)16-38)43-26-7-2-21(14-22(26)15-33)28-34-19-35-30(37-28)36-23-3-5-24(6-4-23)39-17-31(18-39)9-12-42-13-10-31/h2-7,14,19-20,25,27,40H,8-13,16-18H2,1H3,(H,34,35,36,37)/t20-,25+,27-/m0/s1","LLQGRUYKVJSLTP-FESMNKHTSA-N",null,4]
["D13847",14714,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278142","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CC4(COC4)C3)n2)[C@H](F)C1","InChI=1S/C29H30FN7O4/c1-18(38)27(39)36-9-8-25(23(30)12-36)41-24-7-2-19(10-20(24)11-31)26-32-17-33-28(35-26)34-21-3-5-22(6-4-21)37-13-29(14-37)15-40-16-29/h2-7,10,17-18,23,25,38H,8-9,12-16H2,1H3,(H,32,33,34,35)/t18-,23+,25-/m0/s1","FKAFYJCOCOVHLN-UODBTFMRSA-N",null,5]
["D13848",17179,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM375637","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CC4CCC(C3)O4)n2)[C@H](F)C1","InChI=1S/C30H32FN7O4/c1-18(39)29(40)37-11-10-27(25(31)16-37)42-26-9-2-19(12-20(26)13-32)28-33-17-34-30(36-28)35-21-3-5-22(6-4-21)38-14-23-7-8-24(15-38)41-23/h2-6,9,12,17-18,23-25,27,39H,7-8,10-11,14-16H2,1H3,(H,33,34,35,36)/t18-,23?,24?,25+,27-/m0/s1","NFAWZOJBLCKAMG-FJBFGXINSA-N",null,2]
["D13849",17081,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278095","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CC4COCC4C3)n2)[C@H](F)C1","InChI=1S/C30H32FN7O4/c1-18(39)29(40)37-9-8-27(25(31)14-37)42-26-7-2-19(10-20(26)11-32)28-33-17-34-30(36-28)35-23-3-5-24(6-4-23)38-12-21-15-41-16-22(21)13-38/h2-7,10,17-18,21-22,25,27,39H,8-9,12-16H2,1H3,(H,33,34,35,36)/t18-,21?,22?,25+,27-/m0/s1","GBXFHUPSCBGJQZ-ZWEPCEAQSA-N",null,2000,{"$nulls":4},7]
["D13850",17475,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278133","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCC(C)(C)CC3)n2)[C@H](F)C1","InChI=1S/C31H36FN7O3/c1-20(40)29(41)39-13-10-27(25(32)18-39)42-26-9-4-21(16-22(26)17-33)28-34-19-35-30(37-28)36-23-5-7-24(8-6-23)38-14-11-31(2,3)12-15-38/h4-9,16,19-20,25,27,40H,10-15,18H2,1-3H3,(H,34,35,36,37)/t20-,25+,27-/m0/s1","GAKYADVGHBJPTA-FESMNKHTSA-N",null,4000,{"$nulls":4},7]
["D13851",14598,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM375630","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCC(C)(O)CC3)n2)[C@H](F)C1","InChI=1S/C30H34FN7O4/c1-19(39)28(40)38-12-9-26(24(31)17-38)42-25-8-3-20(15-21(25)16-32)27-33-18-34-29(36-27)35-22-4-6-23(7-5-22)37-13-10-30(2,41)11-14-37/h3-8,15,18-19,24,26,39,41H,9-14,17H2,1-2H3,(H,33,34,35,36)/t19-,24+,26-/m0/s1","SIIDSLDEYMOYJA-LNXUECGXSA-N",null,4]
["D13852",14600,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278143","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCC4(COC4)CC3)n2)[C@H](F)C1","InChI=1S/C31H34FN7O4/c1-20(40)29(41)39-11-8-27(25(32)16-39)43-26-7-2-21(14-22(26)15-33)28-34-19-35-30(37-28)36-23-3-5-24(6-4-23)38-12-9-31(10-13-38)17-42-18-31/h2-7,14,19-20,25,27,40H,8-13,16-18H2,1H3,(H,34,35,36,37)/t20-,25+,27-/m0/s1","RFQSAAFGUCEFIP-FESMNKHTSA-N",null,4]
["D13853",14470,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278141","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCCOCC3)n2)[C@H](F)C1","InChI=1S/C29H32FN7O4/c1-19(38)28(39)37-11-9-26(24(30)17-37)41-25-8-3-20(15-21(25)16-31)27-32-18-33-29(35-27)34-22-4-6-23(7-5-22)36-10-2-13-40-14-12-36/h3-8,15,18-19,24,26,38H,2,9-14,17H2,1H3,(H,32,33,34,35)/t19-,24+,26-/m0/s1","NXYNUQAZDMQVRX-LNXUECGXSA-N",null,3]
["D13854",14599,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278135","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCC[C@@H](O)C3)n2)[C@H](F)C1","InChI=1S/C29H32FN7O4/c1-18(38)28(40)37-12-10-26(24(30)16-37)41-25-9-4-19(13-20(25)14-31)27-32-17-33-29(35-27)34-21-5-7-22(8-6-21)36-11-2-3-23(39)15-36/h4-9,13,17-18,23-24,26,38-39H,2-3,10-12,15-16H2,1H3,(H,32,33,34,35)/t18-,23+,24+,26-/m0/s1","IFTBMEURFLPLJP-CYQFXYHLSA-N",null,4]
["D13855",17156,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278276","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(C)CC3)n2)[C@H](F)C1","InChI=1S/C29H33FN8O3/c1-19(39)28(40)38-10-9-26(24(30)17-38)41-25-8-3-20(15-21(25)16-31)27-32-18-33-29(35-27)34-22-4-6-23(7-5-22)37-13-11-36(2)12-14-37/h3-8,15,18-19,24,26,39H,9-14,17H2,1-2H3,(H,32,33,34,35)/t19-,24+,26-/m0/s1","GXQGKKMBPCIISM-LNXUECGXSA-N",null,2000,{"$nulls":4},7]
["D13856",17159,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278279","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(C)C[C@@H]3C)n2)[C@H](F)C1","InChI=1S/C30H35FN8O3/c1-19-16-37(3)12-13-39(19)24-7-5-23(6-8-24)35-30-34-18-33-28(36-30)21-4-9-26(22(14-21)15-32)42-27-10-11-38(17-25(27)31)29(41)20(2)40/h4-9,14,18-20,25,27,40H,10-13,16-17H2,1-3H3,(H,33,34,35,36)/t19-,20-,25+,27-/m0/s1","OWRPZPNMYHZVAB-ALYLFKNPSA-N",null,2000,{"$nulls":4},7]
["D13857",17071,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278040","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(C4COC4)[C@@H](C)C3)n2)C(F)(F)C1","InChI=1S/C32H36F2N8O4/c1-20-15-40(11-12-42(20)26-16-45-17-26)25-6-4-24(5-7-25)38-31-37-19-36-29(39-31)22-3-8-27(23(13-22)14-35)46-28-9-10-41(18-32(28,33)34)30(44)21(2)43/h3-8,13,19-21,26,28,43H,9-12,15-18H2,1-2H3,(H,36,37,38,39)/t20-,21-,28-/m0/s1","QMNCWTOVWSKQHV-CZBREUMFSA-N",null,2000,{"$nulls":4},7]
["D13858",17072,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278042","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(C4COC4)[C@@H](C)C3)n2)[C@H](F)C1","InChI=1S/C32H37FN8O4/c1-20-15-39(11-12-41(20)26-17-44-18-26)25-6-4-24(5-7-25)37-32-36-19-35-30(38-32)22-3-8-28(23(13-22)14-34)45-29-9-10-40(16-27(29)33)31(43)21(2)42/h3-8,13,19-21,26-27,29,42H,9-12,15-18H2,1-2H3,(H,35,36,37,38)/t20-,21-,27+,29-/m0/s1","OVWZLWGXHAZWNX-ORDLOIQJSA-N",null,2000,{"$nulls":4},7]
["D13859",17152,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278247","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(C4COC4)[C@@H](CO)C3)n2)C(F)(F)C1","InChI=1S/C32H36F2N8O5/c1-20(44)30(45)41-9-8-28(32(33,34)18-41)47-27-7-2-21(12-22(27)13-35)29-36-19-37-31(39-29)38-23-3-5-24(6-4-23)40-10-11-42(25(14-40)15-43)26-16-46-17-26/h2-7,12,19-20,25-26,28,43-44H,8-11,14-18H2,1H3,(H,36,37,38,39)/t20-,25+,28-/m0/s1","GZORTYZAMMARJL-OUKRDIKDSA-N",null,2000,{"$nulls":4},7]
["D13860",17304,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278246","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(C4COC4)[C@@H](CO)C3)n2)[C@H](F)C1","InChI=1S/C32H37FN8O5/c1-20(43)31(44)40-9-8-29(27(33)15-40)46-28-7-2-21(12-22(28)13-34)30-35-19-36-32(38-30)37-23-3-5-24(6-4-23)39-10-11-41(25(14-39)16-42)26-17-45-18-26/h2-7,12,19-20,25-27,29,42-43H,8-11,14-18H2,1H3,(H,35,36,37,38)/t20-,25+,27+,29-/m0/s1","YDLBTCJVTZVXDU-YIQSPCMESA-N",null,3000,{"$nulls":4},7]
["D13861",16651,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278024","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(C4COC4)[C@H](C)C3)n2)C(F)(F)C1","InChI=1S/C32H36F2N8O4/c1-20-15-40(11-12-42(20)26-16-45-17-26)25-6-4-24(5-7-25)38-31-37-19-36-29(39-31)22-3-8-27(23(13-22)14-35)46-28-9-10-41(18-32(28,33)34)30(44)21(2)43/h3-8,13,19-21,26,28,43H,9-12,15-18H2,1-2H3,(H,36,37,38,39)/t20-,21+,28+/m1/s1","QMNCWTOVWSKQHV-GGJMMHKRSA-N",null,2]
["D13862",17349,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278090","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3(C)COC3)n2)[C@H](F)C1","InChI=1S/C32H37FN8O4/c1-21(42)30(43)40-10-9-28(26(33)17-40)45-27-8-3-22(15-23(27)16-34)29-35-20-36-31(38-29)37-24-4-6-25(7-5-24)39-11-13-41(14-12-39)32(2)18-44-19-32/h3-8,15,20-21,26,28,42H,9-14,17-19H2,1-2H3,(H,35,36,37,38)/t21-,26+,28-/m0/s1","YNHUWJTUAVCHSB-OEQAEZTDSA-N",null,3000,{"$nulls":4},7]
["D13863",17080,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278087","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3CCOCC3)n2)[C@H](F)C1","InChI=1S/C33H39FN8O4/c1-22(43)32(44)42-11-8-30(28(34)20-42)46-29-7-2-23(18-24(29)19-35)31-36-21-37-33(39-31)38-25-3-5-26(6-4-25)40-12-14-41(15-13-40)27-9-16-45-17-10-27/h2-7,18,21-22,27-28,30,43H,8-17,20H2,1H3,(H,36,37,38,39)/t22-,28+,30-/m0/s1","GWOPMQJGWFGZSF-UIOOVKKBSA-N",null,2000,{"$nulls":4},7]
["D13864",14983,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277933","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C(F)(F)C1","InChI=1S/C31H34F2N8O4/c1-20(42)29(43)41-9-8-27(31(32,33)18-41)45-26-7-2-21(14-22(26)15-34)28-35-19-36-30(38-28)37-23-3-5-24(6-4-23)39-10-12-40(13-11-39)25-16-44-17-25/h2-7,14,19-20,25,27,42H,8-13,16-18H2,1H3,(H,35,36,37,38)/t20-,27-/m0/s1","YSIJLTHURUGKOW-DCFHFQCYSA-N",null,"<1"]
["D13865",16647,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278016","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C31H35FN8O4/c1-20(41)30(42)40-9-8-28(26(32)16-40)44-27-7-2-21(14-22(27)15-33)29-34-19-35-31(37-29)36-23-3-5-24(6-4-23)38-10-12-39(13-11-38)25-17-43-18-25/h2-7,14,19-20,25-26,28,41H,8-13,16-18H2,1H3,(H,34,35,36,37)/t20-,26+,28-/m0/s1","SLSXOXVMJVWWMJ-GFNGZDJJSA-N",null,2]
["D13866",17303,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278240","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3=O)C3COC3)n2)[C@H](F)C1","InChI=1S/C31H33FN8O5/c1-19(41)30(43)39-9-8-27(25(32)14-39)45-26-7-2-20(12-21(26)13-33)29-34-18-35-31(37-29)36-22-3-5-23(6-4-22)40-11-10-38(15-28(40)42)24-16-44-17-24/h2-7,12,18-19,24-25,27,41H,8-11,14-17H2,1H3,(H,34,35,36,37)/t19-,25+,27-/m0/s1","YKBZGTPZXATTES-UYDITSSVSA-N",null,3000,{"$nulls":4},7]
["D13867",17079,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278086","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC4COC4)CC3)n2)[C@H](F)C1","InChI=1S/C32H37FN8O4/c1-21(42)31(43)41-9-8-29(27(33)17-41)45-28-7-2-23(14-24(28)15-34)30-35-20-36-32(38-30)37-25-3-5-26(6-4-25)40-12-10-39(11-13-40)16-22-18-44-19-22/h2-7,14,20-22,27,29,42H,8-13,16-19H2,1H3,(H,35,36,37,38)/t21-,27+,29-/m0/s1","JAVKGTUGXXDJJO-PEXXQYNDSA-N",null,2000,{"$nulls":4},7]
["D13868",16624,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278361","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CCO)CC3)n2)[C@H](F)C1","InChI=1S/C30H35FN8O4/c1-20(41)29(42)39-9-8-27(25(31)18-39)43-26-7-2-21(16-22(26)17-32)28-33-19-34-30(36-28)35-23-3-5-24(6-4-23)38-12-10-37(11-13-38)14-15-40/h2-7,16,19-20,25,27,40-41H,8-15,18H2,1H3,(H,33,34,35,36)/t20-,25+,27-/m0/s1","XNGKZCMFTYVTSV-FESMNKHTSA-N",null,2]
["D13869",14510,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278030","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(C[C@@H]3C)C3COC3)n2)C(F)(F)C1","InChI=1S/C32H36F2N8O4/c1-20-15-40(26-16-45-17-26)11-12-42(20)25-6-4-24(5-7-25)38-31-37-19-36-29(39-31)22-3-8-27(23(13-22)14-35)46-28-9-10-41(18-32(28,33)34)30(44)21(2)43/h3-8,13,19-21,26,28,43H,9-12,15-18H2,1-2H3,(H,36,37,38,39)/t20-,21-,28-/m0/s1","LRDQYJRVAAGHEK-CZBREUMFSA-N",null,3]
["D13870",17358,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278027","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(C[C@@H]3C)C3COC3)n2)[C@H](F)C1","InChI=1S/C32H37FN8O4/c1-20-15-39(26-17-44-18-26)11-12-41(20)25-6-4-24(5-7-25)37-32-36-19-35-30(38-32)22-3-8-28(23(13-22)14-34)45-29-9-10-40(16-27(29)33)31(43)21(2)42/h3-8,13,19-21,26-27,29,42H,9-12,15-18H2,1-2H3,(H,35,36,37,38)/t20-,21-,27+,29-/m0/s1","YRMKHJKXKFHXMK-ORDLOIQJSA-N",null,3000,{"$nulls":4},7]
["D13871",14475,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278397","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN4CCOC[C@H]4C3)n2)[C@H](F)C1","InChI=1S/C31H35FN8O4/c1-20(41)30(42)40-9-8-28(26(32)17-40)44-27-7-2-21(14-22(27)15-33)29-34-19-35-31(37-29)36-23-3-5-24(6-4-23)39-11-10-38-12-13-43-18-25(38)16-39/h2-7,14,19-20,25-26,28,41H,8-13,16-18H2,1H3,(H,34,35,36,37)/t20-,25+,26+,28-/m0/s1","WWZJQLLFILQMRL-UWYZJRGRSA-N",null,3]
["D13872",14977,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278275","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCNCC3)n2)[C@H](F)C1","InChI=1S/C28H31FN8O3/c1-18(38)27(39)37-11-8-25(23(29)16-37)40-24-7-2-19(14-20(24)15-30)26-32-17-33-28(35-26)34-21-3-5-22(6-4-21)36-12-9-31-10-13-36/h2-7,14,17-18,23,25,31,38H,8-13,16H2,1H3,(H,32,33,34,35)/t18-,23+,25-/m0/s1","NBCMQEJIXBJWMS-UODBTFMRSA-N",null,1]
["D13873",17350,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278092","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCOC(C3)C(N)=O)n2)[C@H](F)C1","InChI=1S/C29H31FN8O5/c1-17(39)28(41)38-9-8-24(22(30)14-38)43-23-7-2-18(12-19(23)13-31)27-33-16-34-29(36-27)35-20-3-5-21(6-4-20)37-10-11-42-25(15-37)26(32)40/h2-7,12,16-17,22,24-25,39H,8-11,14-15H2,1H3,(H2,32,40)(H,33,34,35,36)/t17-,22+,24-,25?/m0/s1","MGJCBXVEZIIUIR-CJARTAQOSA-N",null,3000,{"$nulls":4},7]
["D13874",17315,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278165","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCOC[C@@H]3CO)n2)[C@H](F)C1","InChI=1S/C29H32FN7O5/c1-18(39)28(40)36-9-8-26(24(30)14-36)42-25-7-2-19(12-20(25)13-31)27-32-17-33-29(35-27)34-21-3-5-22(6-4-21)37-10-11-41-16-23(37)15-38/h2-7,12,17-18,23-24,26,38-39H,8-11,14-16H2,1H3,(H,32,33,34,35)/t18-,23-,24+,26-/m0/s1","GHZHOTWEULSCJL-RTDBDVKCSA-N",null,3000,{"$nulls":4},7]
["D13875",16655,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278161","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCOC[C@H]3CO)n2)[C@H](F)C1","InChI=1S/C29H32FN7O5/c1-18(39)28(40)36-9-8-26(24(30)14-36)42-25-7-2-19(12-20(25)13-31)27-32-17-33-29(35-27)34-21-3-5-22(6-4-21)37-10-11-41-16-23(37)15-38/h2-7,12,17-18,23-24,26,38-39H,8-11,14-16H2,1H3,(H,32,33,34,35)/t18-,23+,24+,26-/m0/s1","GHZHOTWEULSCJL-CYQFXYHLSA-N",null,2]
["D13876",17351,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278094","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCO[C@@H](C3)C(N)=O)n2)[C@H](F)C1","InChI=1S/C29H31FN8O5/c1-17(39)28(41)38-9-8-24(22(30)14-38)43-23-7-2-18(12-19(23)13-31)27-33-16-34-29(36-27)35-20-3-5-21(6-4-20)37-10-11-42-25(15-37)26(32)40/h2-7,12,16-17,22,24-25,39H,8-11,14-15H2,1H3,(H2,32,40)(H,33,34,35,36)/t17-,22+,24-,25-/m0/s1","MGJCBXVEZIIUIR-IJELEPPBSA-N",null,3000,{"$nulls":4},7]
["D13877",17151,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278238","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCO[C@@H](CO)C3)n2)C(F)(F)C1","InChI=1S/C29H31F2N7O5/c1-18(40)27(41)38-9-8-25(29(30,31)16-38)43-24-7-2-19(12-20(24)13-32)26-33-17-34-28(36-26)35-21-3-5-22(6-4-21)37-10-11-42-23(14-37)15-39/h2-7,12,17-18,23,25,39-40H,8-11,14-16H2,1H3,(H,33,34,35,36)/t18-,23+,25-/m0/s1","NTQCFSMONMPRRK-UODBTFMRSA-N",null,2000,{"$nulls":4},7]
["D13878",17355,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278009","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCO[C@@H](CO)C3)n2)[C@H](F)C1","InChI=1S/C29H32FN7O5/c1-18(39)28(40)37-9-8-26(24(30)15-37)42-25-7-2-19(12-20(25)13-31)27-32-17-33-29(35-27)34-21-3-5-22(6-4-21)36-10-11-41-23(14-36)16-38/h2-7,12,17-18,23-24,26,38-39H,8-11,14-16H2,1H3,(H,32,33,34,35)/t18-,23+,24+,26-/m0/s1","FUNROEZBQUMBPC-CYQFXYHLSA-N",null,3000,{"$nulls":4},7]
["D13879",15021,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278093","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCO[C@H](C3)C(N)=O)n2)[C@H](F)C1","InChI=1S/C29H31FN8O5/c1-17(39)28(41)38-9-8-24(22(30)14-38)43-23-7-2-18(12-19(23)13-31)27-33-16-34-29(36-27)35-20-3-5-21(6-4-20)37-10-11-42-25(15-37)26(32)40/h2-7,12,16-17,22,24-25,39H,8-11,14-15H2,1H3,(H2,32,40)(H,33,34,35,36)/t17-,22+,24-,25+/m0/s1","MGJCBXVEZIIUIR-SLOKYNNDSA-N",null,9]
["D13880",16645,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278011","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCO[C@H](CO)C3)n2)[C@H](F)C1","InChI=1S/C29H32FN7O5/c1-18(39)28(40)37-9-8-26(24(30)15-37)42-25-7-2-19(12-20(25)13-31)27-32-17-33-29(35-27)34-21-3-5-22(6-4-21)36-10-11-41-23(14-36)16-38/h2-7,12,17-18,23-24,26,38-39H,8-11,14-16H2,1H3,(H,32,33,34,35)/t18-,23-,24+,26-/m0/s1","FUNROEZBQUMBPC-RTDBDVKCSA-N",null,2]
["D13881",14731,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278043","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3C[C@@H](C)N(C[C@@H]3C)C3COC3)n2)[C@H](F)C1","InChI=1S/C33H39FN8O4/c1-20-15-42(27-17-45-18-27)21(2)14-41(20)26-7-5-25(6-8-26)38-33-37-19-36-31(39-33)23-4-9-29(24(12-23)13-35)46-30-10-11-40(16-28(30)34)32(44)22(3)43/h4-9,12,19-22,27-28,30,43H,10-11,14-18H2,1-3H3,(H,36,37,38,39)/t20-,21+,22-,28+,30-/m0/s1","GCHKGFCTYIRHHF-UIKPXCSRSA-N",null,5]
["D13882",14611,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278393","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)[C@H]3CCCN3)n2)[C@H](F)C1","InChI=1S/C28H30FN7O3/c1-17(37)27(38)36-12-10-25(22(29)15-36)39-24-9-6-19(13-20(24)14-30)26-32-16-33-28(35-26)34-21-7-4-18(5-8-21)23-3-2-11-31-23/h4-9,13,16-17,22-23,25,31,37H,2-3,10-12,15H2,1H3,(H,32,33,34,35)/t17-,22+,23+,25-/m0/s1","GBDGRXDOLFLBAV-GHBLRSOESA-N",null,4]
["D13883",14709,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278394","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)[C@H]3CCCN3C3COC3)n2)[C@H](F)C1","InChI=1S/C31H34FN7O4/c1-19(40)30(41)38-12-10-28(25(32)15-38)43-27-9-6-21(13-22(27)14-33)29-34-18-35-31(37-29)36-23-7-4-20(5-8-23)26-3-2-11-39(26)24-16-42-17-24/h4-9,13,18-19,24-26,28,40H,2-3,10-12,15-17H2,1H3,(H,34,35,36,37)/t19-,25+,26+,28-/m0/s1","SVGGQHQGUDVYQO-CZCIHAQMSA-N",null,5]
["D13884",14481,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278296","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)[C@H]3N(C)CCN(C)C3=O)n2)[C@H](F)C1","InChI=1S/C30H33FN8O4/c1-18(40)28(41)39-11-10-25(23(31)16-39)43-24-9-6-20(14-21(24)15-32)27-33-17-34-30(36-27)35-22-7-4-19(5-8-22)26-29(42)38(3)13-12-37(26)2/h4-9,14,17-18,23,25-26,40H,10-13,16H2,1-3H3,(H,33,34,35,36)/t18-,23+,25-,26+/m0/s1","CMIDPQPFFSHFQU-PWBQRVIASA-N",null,3]
["D13885",16957,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278153","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3F)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C31H34F2N8O4/c1-19(42)30(43)41-7-6-28(25(33)15-41)45-27-5-2-20(12-21(27)14-34)29-35-18-36-31(38-29)37-26-4-3-22(13-24(26)32)39-8-10-40(11-9-39)23-16-44-17-23/h2-5,12-13,18-19,23,25,28,42H,6-11,15-17H2,1H3,(H,35,36,37,38)/t19-,25+,28-/m0/s1","CJKXRJUXLJTCRE-XECDKEEKSA-N",null,1000]
["D13886",17338,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278160","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(nc3)C(C)(C)O)n2)[C@H](F)C1","InChI=1S/C26H28FN7O4/c1-15(35)24(36)34-9-8-21(19(27)13-34)38-20-6-4-16(10-17(20)11-28)23-30-14-31-25(33-23)32-18-5-7-22(29-12-18)26(2,3)37/h4-7,10,12,14-15,19,21,35,37H,8-9,13H2,1-3H3,(H,30,31,32,33)/t15-,19+,21-/m0/s1","HZCTUVOMFAAAFJ-DLVCFXQMSA-N",null,3000,{"$nulls":4},7]
["D13887",14740,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278157","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(nc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C30H34FN9O4/c1-19(41)29(42)40-7-6-26(24(31)15-40)44-25-4-2-20(12-21(25)13-32)28-34-18-35-30(37-28)36-22-3-5-27(33-14-22)39-10-8-38(9-11-39)23-16-43-17-23/h2-5,12,14,18-19,23-24,26,41H,6-11,15-17H2,1H3,(H,34,35,36,37)/t19-,24+,26-/m0/s1","VEMSSQHOLIBJEZ-LNXUECGXSA-N",null,5]
["D13888",17295,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278323","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc4CNCc4c3)n2)[C@H](F)C1","InChI=1S/C26H26FN7O3/c1-15(35)25(36)34-7-6-23(21(27)13-34)37-22-5-3-16(8-18(22)10-28)24-30-14-31-26(33-24)32-20-4-2-17-11-29-12-19(17)9-20/h2-5,8-9,14-15,21,23,29,35H,6-7,11-13H2,1H3,(H,30,31,32,33)/t15-,21+,23-/m0/s1","GJAQYJWEEXUKPK-XFEAKLGESA-N",null,3000,{"$nulls":4},7]
["D13889",17139,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278295","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc4OCCNc4c3)n2)[C@H](F)C1","InChI=1S/C26H26FN7O4/c1-15(35)25(36)34-8-6-22(19(27)13-34)38-21-4-2-16(10-17(21)12-28)24-30-14-31-26(33-24)32-18-3-5-23-20(11-18)29-7-9-37-23/h2-5,10-11,14-15,19,22,29,35H,6-9,13H2,1H3,(H,30,31,32,33)/t15-,19+,22-/m0/s1","IQQCLKRZDHVEJC-LYLBAIIYSA-N",null,2000,{"$nulls":4},7]
["D13890",14644,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278125","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc4c(C)nn(C)c4c3)n2)[C@H](F)C1","InChI=1S/C27H27FN8O3/c1-15-20-6-5-19(11-22(20)35(3)34-15)32-27-31-14-30-25(33-27)17-4-7-23(18(10-17)12-29)39-24-8-9-36(13-21(24)28)26(38)16(2)37/h4-7,10-11,14,16,21,24,37H,8-9,13H2,1-3H3,(H,30,31,32,33)/t16-,21+,24-/m0/s1","CQFQKMKEBSPJGU-FBOFTVOISA-N",null,4]
["D13891",16657,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278163","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc4c(NC(=O)C4(C)C)c3)n2)[C@H](F)C1","InChI=1S/C28H28FN7O4/c1-15(37)25(38)36-9-8-23(20(29)13-36)40-22-7-4-16(10-17(22)12-30)24-31-14-32-27(35-24)33-18-5-6-19-21(11-18)34-26(39)28(19,2)3/h4-7,10-11,14-15,20,23,37H,8-9,13H2,1-3H3,(H,34,39)(H,31,32,33,35)/t15-,20+,23-/m0/s1","NOENZZUCTRZYIH-NQKDMWHGSA-N",null,2]
["D13892",14873,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278122","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc4cnn(C)c4c3)n2)[C@H](F)C1","InChI=1S/C26H25FN8O3/c1-15(36)25(37)35-8-7-23(20(27)13-35)38-22-6-4-16(9-18(22)11-28)24-29-14-30-26(33-24)32-19-5-3-17-12-31-34(2)21(17)10-19/h3-6,9-10,12,14-15,20,23,36H,7-8,13H2,1-2H3,(H,29,30,32,33)/t15-,20+,23-/m0/s1","GWPLDWSTEUIHCJ-NQKDMWHGSA-N",null,7]
["D13893",17294,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278317","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3cccc(CN4CCOCC4)c3)n2)[C@H](F)C1","InChI=1S/C29H32FN7O4/c1-19(38)28(39)37-8-7-26(24(30)17-37)41-25-6-5-21(14-22(25)15-31)27-32-18-33-29(35-27)34-23-4-2-3-20(13-23)16-36-9-11-40-12-10-36/h2-6,13-14,18-19,24,26,38H,7-12,16-17H2,1H3,(H,32,33,34,35)/t19-,24+,26-/m0/s1","OCMXFNGLZPKTFI-LNXUECGXSA-N",null,3000,{"$nulls":4},7]
["D13894",14467,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278264","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3cccc(c3)C(C)(C)O)n2)[C@H](F)C1","InChI=1S/C27H29FN6O4/c1-16(35)25(36)34-10-9-23(21(28)14-34)38-22-8-7-17(11-18(22)13-29)24-30-15-31-26(33-24)32-20-6-4-5-19(12-20)27(2,3)37/h4-8,11-12,15-16,21,23,35,37H,9-10,14H2,1-3H3,(H,30,31,32,33)/t16-,21+,23-/m0/s1","LNIQNXFRNKFXIV-YTJPUZGESA-N",null,3]
["D13895",17459,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278164","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccnc(c3)C(C)(C)O)n2)[C@H](F)C1","InChI=1S/C26H28FN7O4/c1-15(35)24(36)34-9-7-21(19(27)13-34)38-20-5-4-16(10-17(20)12-28)23-30-14-31-25(33-23)32-18-6-8-29-22(11-18)26(2,3)37/h4-6,8,10-11,14-15,19,21,35,37H,7,9,13H2,1-3H3,(H,29,30,31,32,33)/t15-,19+,21-/m0/s1","CWMORBXFKYDNLH-DLVCFXQMSA-N",null,4000,{"$nulls":4},7]
["D13896",15982,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278342","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3cn(C)nc3CO)n2)[C@H](F)C1","InChI=1S/C23H25FN8O4/c1-13(34)22(35)32-6-5-20(16(24)9-32)36-19-4-3-14(7-15(19)8-25)21-26-12-27-23(29-21)28-17-10-31(2)30-18(17)11-33/h3-4,7,10,12-13,16,20,33-34H,5-6,9,11H2,1-2H3,(H,26,27,28,29)/t13-,16+,20-/m0/s1","SSAUMSLDIATKRC-OWZDWXTDSA-N",null,92]
["D13897",17299,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278348","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3cnc(C)s3)n2)[C@H](F)C1","InChI=1S/C22H22FN7O3S/c1-12(31)21(32)30-6-5-18(16(23)10-30)33-17-4-3-14(7-15(17)8-24)20-26-11-27-22(29-20)28-19-9-25-13(2)34-19/h3-4,7,9,11-12,16,18,31H,5-6,10H2,1-2H3,(H,26,27,28,29)/t12-,16+,18-/m0/s1","XDWPKGIZJLZNOI-XZOAIXRZSA-N",null,3000,{"$nulls":4},7]
["D13898",14795,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278136","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3cnc(N4CCN(CC4)C4COC4)c(F)c3)n2)[C@H](F)C1","InChI=1S/C30H33F2N9O4/c1-18(42)29(43)41-5-4-26(24(32)14-41)45-25-3-2-19(10-20(25)12-33)27-35-17-36-30(38-27)37-21-11-23(31)28(34-13-21)40-8-6-39(7-9-40)22-15-44-16-22/h2-3,10-11,13,17-18,22,24,26,42H,4-9,14-16H2,1H3,(H,35,36,37,38)/t18-,24+,26-/m0/s1","RVVXQNJZYNFBHM-FODJJAHYSA-N",null,6]
["D13899",14793,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278294","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3cnc4NCCOc4c3)n2)[C@H](F)C1","InChI=1S/C25H25FN8O4/c1-14(35)24(36)34-6-4-20(18(26)12-34)38-19-3-2-15(8-16(19)10-27)22-30-13-31-25(33-22)32-17-9-21-23(29-11-17)28-5-7-37-21/h2-3,8-9,11,13-14,18,20,35H,4-7,12H2,1H3,(H,28,29)(H,30,31,32,33)/t14-,18+,20-/m0/s1","BPNSGZHWOGXFQP-QMIHWGKISA-N",null,6]
["D13900",15192,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278344","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3cnn(C)c3C)n2)[C@H](F)C1","InChI=1S/C23H25FN8O3/c1-13-18(10-28-31(13)3)29-23-27-12-26-21(30-23)15-4-5-19(16(8-15)9-25)35-20-6-7-32(11-17(20)24)22(34)14(2)33/h4-5,8,10,12,14,17,20,33H,6-7,11H2,1-3H3,(H,26,27,29,30)/t14-,17+,20-/m0/s1","LBFKDBMDAOTADZ-NQYLQCIDSA-N",null,14]
["D13901",15978,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278343","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3cnn(C)c3CO)n2)[C@H](F)C1","InChI=1S/C23H25FN8O4/c1-13(34)22(35)32-6-5-20(16(24)10-32)36-19-4-3-14(7-15(19)8-25)21-26-12-27-23(30-21)29-17-9-28-31(2)18(17)11-33/h3-4,7,9,12-13,16,20,33-34H,5-6,10-11H2,1-2H3,(H,26,27,29,30)/t13-,16+,20-/m0/s1","KLUCDSGOLCBPFE-OWZDWXTDSA-N",null,90]
["D13902",14646,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278130","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3cnn(CC(F)F)c3)n2)[C@H](F)C1","InChI=1S/C23H23F3N8O3/c1-13(35)22(36)33-5-4-19(17(24)10-33)37-18-3-2-14(6-15(18)7-27)21-28-12-29-23(32-21)31-16-8-30-34(9-16)11-20(25)26/h2-3,6,8-9,12-13,17,19-20,35H,4-5,10-11H2,1H3,(H,28,29,31,32)/t13-,17+,19-/m0/s1","VOOUPXYOOCEEFC-IRWQIABSSA-N",null,4]
["D13903",14654,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278072","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3cnn(c3)C(C)(C)C)n2)[C@H](F)C1","InChI=1S/C25H29FN8O3/c1-15(35)23(36)33-8-7-21(19(26)13-33)37-20-6-5-16(9-17(20)10-27)22-28-14-29-24(32-22)31-18-11-30-34(12-18)25(2,3)4/h5-6,9,11-12,14-15,19,21,35H,7-8,13H2,1-4H3,(H,28,29,31,32)/t15-,19+,21-/m0/s1","CCLSCLZBGDZBMU-DLVCFXQMSA-N",null,4]
["D13904",17331,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278128","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3cnn(c3)C(C)C)n2)[C@H](F)C1","InChI=1S/C24H27FN8O3/c1-14(2)33-11-18(10-29-33)30-24-28-13-27-22(31-24)16-4-5-20(17(8-16)9-26)36-21-6-7-32(12-19(21)25)23(35)15(3)34/h4-5,8,10-11,13-15,19,21,34H,6-7,12H2,1-3H3,(H,27,28,30,31)/t15-,19+,21-/m0/s1","PZTKSZRHTHXHMA-DLVCFXQMSA-N",null,3000,{"$nulls":4},7]
["D13905",15165,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM375732","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3cnn(c3)C(F)F)n2)[C@H](F)C1","InChI=1S/C22H21F3N8O3/c1-12(34)20(35)32-5-4-18(16(23)10-32)36-17-3-2-13(6-14(17)7-26)19-27-11-28-22(31-19)30-15-8-29-33(9-15)21(24)25/h2-3,6,8-9,11-12,16,18,21,34H,4-5,10H2,1H3,(H,27,28,30,31)/t12-,16+,18-/m0/s1","IVFSELMCVYLTSD-XZOAIXRZSA-N",null,13]
["D13906",14796,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278132","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3cnn(c3)C3CCOCC3)n2)[C@H](F)C1","InChI=1S/C26H29FN8O4/c1-16(36)25(37)34-7-4-23(21(27)14-34)39-22-3-2-17(10-18(22)11-28)24-29-15-30-26(33-24)32-19-12-31-35(13-19)20-5-8-38-9-6-20/h2-3,10,12-13,15-16,20-21,23,36H,4-9,14H2,1H3,(H,29,30,32,33)/t16-,21+,23-/m0/s1","OUYJBEHLMYTWDO-YTJPUZGESA-N",null,6]
["D13907",14871,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278131","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3cnn(c3)C3COC3)n2)[C@H](F)C1","InChI=1S/C24H25FN8O4/c1-14(34)23(35)32-5-4-21(19(25)10-32)37-20-3-2-15(6-16(20)7-26)22-27-13-28-24(31-22)30-17-8-29-33(9-17)18-11-36-12-18/h2-3,6,8-9,13-14,18-19,21,34H,4-5,10-12H2,1H3,(H,27,28,30,31)/t14-,19+,21-/m0/s1","MZKFOXRCMQMVAM-ZKYUUJBMSA-N",null,7]
["D13908",14790,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278349","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3sc(C)nc3C)n2)[C@H](F)C1","InChI=1S/C23H24FN7O3S/c1-12-21(35-14(3)28-12)30-23-27-11-26-20(29-23)15-4-5-18(16(8-15)9-25)34-19-6-7-31(10-17(19)24)22(33)13(2)32/h4-5,8,11,13,17,19,32H,6-7,10H2,1-3H3,(H,26,27,29,30)/t13-,17+,19-/m0/s1","FNVPRBKVDPEQJB-IRWQIABSSA-N",null,6]
["D13909",15699,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278350","C[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3scnc3CO)n2)[C@H](F)C1","InChI=1S/C22H22FN7O4S/c1-12(32)21(33)30-5-4-18(15(23)8-30)34-17-3-2-13(6-14(17)7-24)19-25-10-26-22(28-19)29-20-16(9-31)27-11-35-20/h2-3,6,10-12,15,18,31-32H,4-5,8-9H2,1H3,(H,25,26,28,29)/t12-,15+,18-/m0/s1","VFLKTHYBJXRFGI-PNPHSEOMSA-N",null,36]
["D13910",15105,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278209","C[C@H](O)C(=O)N1C[C@@H](C)[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C(F)(F)C1","InChI=1S/C32H36F2N8O4/c1-20-15-42(30(44)21(2)43)18-32(33,34)28(20)46-27-8-3-22(13-23(27)14-35)29-36-19-37-31(39-29)38-24-4-6-25(7-5-24)40-9-11-41(12-10-40)26-16-45-17-26/h3-8,13,19-21,26,28,43H,9-12,15-18H2,1-2H3,(H,36,37,38,39)/t20-,21+,28+/m1/s1","NMHKYUDKFDDYKJ-GGJMMHKRSA-N",null,11]
["D13911",15854,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278193","C[C@H](O)C(=O)N1C[C@@H](F)[C@H](C[C@@H]1C)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C32H37FN8O4/c1-20-13-29(27(33)16-41(20)31(43)21(2)42)45-28-8-3-22(14-23(28)15-34)30-35-19-36-32(38-30)37-24-4-6-25(7-5-24)39-9-11-40(12-10-39)26-17-44-18-26/h3-8,14,19-21,26-27,29,42H,9-13,16-18H2,1-2H3,(H,35,36,37,38)/t20-,21-,27+,29-/m0/s1","PGCYVVJBCDGPQE-ORDLOIQJSA-N",null,58]
["D13912",15131,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278248","C[C@H](O)CC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C32H37FN8O4/c1-21(42)14-30(43)41-9-8-29(27(33)17-41)45-28-7-2-22(15-23(28)16-34)31-35-20-36-32(38-31)37-24-3-5-25(6-4-24)39-10-12-40(13-11-39)26-18-44-19-26/h2-7,15,20-21,26-27,29,42H,8-14,17-19H2,1H3,(H,35,36,37,38)/t21-,27+,29-/m0/s1","VVFKUPJHOJQZME-PEXXQYNDSA-N",null,12]
["D13913",17300,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278351","C[C@H](O)CN1CCN(CC1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@H](C)O)c(c2)C#N)cc1","InChI=1S/C31H37FN8O4/c1-20(41)17-38-11-13-39(14-12-38)25-6-4-24(5-7-25)36-31-35-19-34-29(37-31)22-3-8-27(23(15-22)16-33)44-28-9-10-40(18-26(28)32)30(43)21(2)42/h3-8,15,19-21,26,28,41-42H,9-14,17-18H2,1-2H3,(H,34,35,36,37)/t20-,21-,26+,28-/m0/s1","IQEHPBVKIAIYRQ-NXAXGWFDSA-N",null,3000,{"$nulls":4},7]
["D13914",31638,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50104301","C[C@H](O)NC[C@H]1NC[C@H](O)[C@@H]1O","InChI=1S/C7H16N2O3/c1-4(10)8-2-5-7(12)6(11)3-9-5/h4-12H,2-3H2,1H3/t4-,5?,6?,7?/m1/s1","ILPLXBQAXZPQTP-BJMCJPPVSA-N",340000,{"$nulls":5},5]
["D13915",17041,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397669","C[C@H](O)[C@@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)C","InChI=1S/C20H23N7O3/c1-11(28)18(20(30)27(2)3)25-14-6-13(8-22-15(14)7-21)16-9-24-17(10-23-16)26-19(29)12-4-5-12/h6,8-12,18,25,28H,4-5H2,1-3H3,(H,24,26,29)/t11-,18+/m0/s1","PAYLVJUJHKZHQJ-BBATYDOGSA-N",null,1585]
["D13916",16049,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397670","C[C@H](O)[C@H](Nc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(=O)N(C)C","InChI=1S/C20H23N7O3/c1-11(28)18(20(30)27(2)3)25-14-6-13(8-22-15(14)7-21)16-9-24-17(10-23-16)26-19(29)12-4-5-12/h6,8-12,18,25,28H,4-5H2,1-3H3,(H,24,26,29)/t11-,18-/m0/s1","PAYLVJUJHKZHQJ-VOJFVSQTSA-N",null,100]
["D13917",15197,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278060","C[C@H](Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C1CCOCC1","InChI=1S/C30H35N7O3/c1-21(22-8-14-38-15-9-22)40-28-7-2-23(16-24(28)17-31)29-32-20-33-30(35-29)34-25-3-5-26(6-4-25)36-10-12-37(13-11-36)27-18-39-19-27/h2-7,16,20-22,27H,8-15,18-19H2,1H3,(H,32,33,34,35)/t21-/m0/s1","YIDCDYMSPCENSL-NRFANRHFSA-N",null,14]
["D13918",15596,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148122","C[C@H]1CCCN1c1ccc(cc1C#N)-c1ccnc(Nc2ccc(NCCN(C)C)nc2)n1","InChI=1S/C25H30N8/c1-18-5-4-13-33(18)23-8-6-19(15-20(23)16-26)22-10-11-28-25(31-22)30-21-7-9-24(29-17-21)27-12-14-32(2)3/h6-11,15,17-18H,4-5,12-14H2,1-3H3,(H,27,29)(H,28,30,31)/t18-/m0/s1","AHVPZFYUSYAPCO-SFHVURJKSA-N",null,"<30",{"$nulls":4},7.5]
["D13919",32045,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50240982","C[C@H]1CCC[C@@H](O)CCC\\C=C\\c2cc(O)cc(O)c2C(=O)O1","InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14-/m0/s1","FPQFYIAXQDXNOR-PMRAARRBSA-N",null,">55700"]
["D13920",32313,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50430716","C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(cc1)N1CCCC1=O","InChI=1S/C17H24N2O3S/c1-13-5-3-6-14(2)19(13)23(21,22)16-10-8-15(9-11-16)18-12-4-7-17(18)20/h8-11,13-14H,3-7,12H2,1-2H3/t13-,14-/m0/s1","XCXAPZCDJCETGS-KBPBESRZSA-N",null,">30000"]
["D13921",422,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109238","C[C@H]1CC[C@@H](CC1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C16H27N3O2/c1-12-4-6-15(7-5-12)19-10-14(18-11-19)9-13(16(20)21)3-2-8-17/h10-13,15H,2-9,17H2,1H3,(H,20,21)/t12-,13?,15-","AEHFUSPLVGWEEP-FFAOXRCVSA-N",null,8.3]
["D13922",13628,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19259172","C[C@H]1CC[C@@H](CC1)n1cnc(CC(CCCN)C(O)=O)c2","InChI=1S/C16H27N3O2/c1-12-4-6-15(7-5-12)19-10-14(18-11-19)9-13(16(20)21)3-2-8-17/h10-13,15H,2-9,17H2,1H3,(H,20,21)/t12-,13?,15-","AEHFUSPLVGWEEP-FFAOXRCVSA-N",-8275.43300110461,44.5216257896906,33624.2352645289,{"$nulls":3},6.73727447090226]
["D13923",477,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109255","C[C@H]1CC[C@@H](CC1)n1cnc(CC(N2CC[C@H](N)C2)C(O)=O)c1","InChI=1S/C17H28N4O2/c1-12-2-4-15(5-3-12)21-10-14(19-11-21)8-16(17(22)23)20-7-6-13(18)9-20/h10-13,15-16H,2-9,18H2,1H3,(H,22,23)/t12-,13-,15-,16?/m0/s1","VWNRFOAGDPZBET-ALLFYKQTSA-N",null,21]
["D13924",13683,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19269899","C[C@H]1CC[C@@H](CC1)n1cnc(CC(N2CC[C@H](N)C2)C(O)=O)c2","InChI=1S/C17H28N4O2/c1-12-2-4-15(5-3-12)21-10-14(19-11-21)8-16(17(22)23)20-7-6-13(18)9-20/h10-13,15-16H,2-9,18H2,1H3,(H,22,23)/t12-,13-,15-,16?/m0/s2","VWNRFOAGDPZBET-ALLFYKQTSA-N",-13894.254100697,59.978211408167,33659.1321702807,{"$nulls":3},6.73729874635359]
["D13925",420,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109253","C[C@H]1CC[C@@H](CC1)n1cnc(CC(OCCN)C(O)=O)c1","InChI=1S/C15H25N3O3/c1-11-2-4-13(5-3-11)18-9-12(17-10-18)8-14(15(19)20)21-7-6-16/h9-11,13-14H,2-8,16H2,1H3,(H,19,20)/t11-,13-,14?","MYFSJRVPQSXHMT-LTXMZBCZSA-N",null,8.1]
["D13926",13626,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B3","Homo sapiens","BDM19258782","C[C@H]1CC[C@@H](CC1)n1cnc(CC(OCCN)C(O)=O)c2","InChI=1S/C15H25N3O3/c1-11-2-4-13(5-3-11)18-9-12(17-10-18)8-14(15(19)20)21-7-6-16/h9-11,13-14H,2-8,16H2,1H3,(H,19,20)/t11-,13-,14?","MYFSJRVPQSXHMT-LTXMZBCZSA-N",-8071.11223384671,43.9595681308369,33622.9662861379,{"$nulls":3},6.73727358815857]
["D13927",559,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109251","C[C@H]1CC[C@@H](CC1)n1cnc(C[C@@H](CCCN)C(O)=O)c1","InChI=1S/C16H27N3O2/c1-12-4-6-15(7-5-12)19-10-14(18-11-19)9-13(16(20)21)3-2-8-17/h10-13,15H,2-9,17H2,1H3,(H,20,21)/t12-,13-,15-/m1/s1","AEHFUSPLVGWEEP-UMVBOHGHSA-N",null,">1.0e+2"]
["D13928",13765,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19285892","C[C@H]1CC[C@@H](CC1)n1cnc(C[C@@H](CCCN)C(O)=O)c2","InChI=1S/C16H27N3O2/c1-12-4-6-15(7-5-12)19-10-14(18-11-19)9-13(16(20)21)3-2-8-17/h10-13,15H,2-9,17H2,1H3,(H,20,21)/t12-,13-,15-/m1/s2","AEHFUSPLVGWEEP-UMVBOHGHSA-N",-22271.4055582712,">1.0e+2",33711.1602843105,{"$nulls":3},6.73733493884467]
["D13929",380,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109264","C[C@H]1CC[C@@H](CC1)n1cnc(C[C@H](CCCN)C(O)=O)c1","InChI=1S/C16H27N3O2/c1-12-4-6-15(7-5-12)19-10-14(18-11-19)9-13(16(20)21)3-2-8-17/h10-13,15H,2-9,17H2,1H3,(H,20,21)/t12-,13-,15-/m0/s1","AEHFUSPLVGWEEP-YDHLFZDLSA-N",null,2.6]
["D13930",13586,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B3","Homo sapiens","BDM19250980","C[C@H]1CC[C@@H](CC1)n1cnc(C[C@H](CCCN)C(O)=O)c2","InChI=1S/C16H27N3O2/c1-12-4-6-15(7-5-12)19-10-14(18-11-19)9-13(16(20)21)3-2-8-17/h10-13,15H,2-9,17H2,1H3,(H,20,21)/t12-,13-,15-/m0/s2","AEHFUSPLVGWEEP-YDHLFZDLSA-N",-3984.69688868861,-193727.142739207,33597.5867183185,{"$nulls":3},6.73725593328488]
["D13931",451,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326340","C[C@H]1CC[C@@H](CC1)n1cnc(c1)C1(CC1CCCN)C(O)=O","InChI=1S/C17H27N3O2/c1-12-4-6-14(7-5-12)20-10-15(19-11-20)17(16(21)22)9-13(17)3-2-8-18/h10-14H,2-9,18H2,1H3,(H,21,22)/t12-,13?,14-,17?","IRURIAOJBDPHHN-YMMWLQRMSA-N",null,14]
["D13932",433,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109263","C[C@H]1CC[C@H](CC1)n1cnc(CC(CCCN)C(O)=O)c1","InChI=1S/C16H27N3O2/c1-12-4-6-15(7-5-12)19-10-14(18-11-19)9-13(16(20)21)3-2-8-17/h10-13,15H,2-9,17H2,1H3,(H,20,21)/t12-,13?,15+","AEHFUSPLVGWEEP-UYULQCGDSA-N",null,9.3]
["D13933",13639,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19261317","C[C@H]1CC[C@H](CC1)n1cnc(CC(CCCN)C(O)=O)c2","InChI=1S/C16H27N3O2/c1-12-4-6-15(7-5-12)19-10-14(18-11-19)9-13(16(20)21)3-2-8-17/h10-13,15H,2-9,17H2,1H3,(H,20,21)/t12-,13?,15+","AEHFUSPLVGWEEP-UYULQCGDSA-N",-9399.19722102311,47.6129429133859,33631.2146456793,{"$nulls":3},6.73727932599253]
["D13934",17158,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278278","C[C@H]1CN(C)CCN1c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)cc1","InChI=1S/C29H33FN8O3/c1-19-15-36(2)11-12-38(19)23-6-4-22(5-7-23)34-29-33-18-32-28(35-29)20-3-8-25(21(13-20)14-31)41-26-9-10-37(16-24(26)30)27(40)17-39/h3-8,13,18-19,24,26,39H,9-12,15-17H2,1-2H3,(H,32,33,34,35)/t19-,24+,26-/m0/s1","FREUQZHGBVWAQT-LNXUECGXSA-N",null,2000,{"$nulls":4},7]
["D13935",17138,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278293","C[C@H]1CN(C)CCN1c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@@H](O)CO)c(c2)C#N)cc1","InChI=1S/C30H35FN8O4/c1-19-15-37(2)11-12-39(19)23-6-4-22(5-7-23)35-30-34-18-33-28(36-30)20-3-8-26(21(13-20)14-32)43-27-9-10-38(16-24(27)31)29(42)25(41)17-40/h3-8,13,18-19,24-25,27,40-41H,9-12,15-17H2,1-2H3,(H,33,34,35,36)/t19-,24+,25-,27-/m0/s1","HIAIYCFUWYLWRI-AFKLIHKDSA-N",null,2000,{"$nulls":4},7]
["D13936",14593,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278208","C[C@H]1CN(CC(F)(F)[C@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)CO","InChI=1S/C31H34F2N8O4/c1-20-14-41(27(43)15-42)18-31(32,33)28(20)45-26-7-2-21(12-22(26)13-34)29-35-19-36-30(38-29)37-23-3-5-24(6-4-23)39-8-10-40(11-9-39)25-16-44-17-25/h2-7,12,19-20,25,28,42H,8-11,14-18H2,1H3,(H,35,36,37,38)/t20-,28-/m0/s1","AUBYDIOIZLCJCZ-MMTVBGGISA-N",null,4]
["D13937",14978,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278039","C[C@H]1CN(CCN1C1COC1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(CC3(F)F)C(=O)CO)c(c2)C#N)cc1","InChI=1S/C31H34F2N8O4/c1-20-14-39(10-11-41(20)25-16-44-17-25)24-5-3-23(4-6-24)37-30-36-19-35-29(38-30)21-2-7-26(22(12-21)13-34)45-27-8-9-40(28(43)15-42)18-31(27,32)33/h2-7,12,19-20,25,27,42H,8-11,14-18H2,1H3,(H,35,36,37,38)/t20-,27-/m0/s1","CZYUKWCOZAGNAO-DCFHFQCYSA-N",null,1]
["D13938",17292,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278313","C[C@H]1CN(CCN1C1COC1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)C3CCC(=O)N3)c(c2)C#N)cc1","InChI=1S/C34H38FN9O4/c1-21-16-42(12-13-44(21)26-18-47-19-26)25-5-3-24(4-6-25)39-34-38-20-37-32(41-34)22-2-8-29(23(14-22)15-36)48-30-10-11-43(17-27(30)35)33(46)28-7-9-31(45)40-28/h2-6,8,14,20-21,26-28,30H,7,9-13,16-19H2,1H3,(H,40,45)(H,37,38,39,41)/t21-,27+,28?,30-/m0/s1","VEJODSCPAOHWJG-YQEJWHRSSA-N",null,3000,{"$nulls":4},7]
["D13939",16648,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278019","C[C@H]1CN(CCN1C1COC1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)cc1","InChI=1S/C31H35FN8O4/c1-20-14-38(10-11-40(20)25-17-43-18-25)24-5-3-23(4-6-24)36-31-35-19-34-30(37-31)21-2-7-27(22(12-21)13-33)44-28-8-9-39(15-26(28)32)29(42)16-41/h2-7,12,19-20,25-26,28,41H,8-11,14-18H2,1H3,(H,34,35,36,37)/t20-,26+,28-/m0/s1","KTMJREQYLFKXSQ-GFNGZDJJSA-N",null,2]
["D13940",14516,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278041","C[C@H]1CN(CCN1C1COC1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)c3cnn[nH]3)c(c2)C#N)cc1",{"$nulls":3},3]
["D13941",14511,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278031","C[C@H]1CN(CCN1c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(CC3(F)F)C(=O)CC#N)c(c2)C#N)cc1)C1COC1","InChI=1S/C32H33F2N9O3/c1-21-16-41(26-17-45-18-26)12-13-43(21)25-5-3-24(4-6-25)39-31-38-20-37-30(40-31)22-2-7-27(23(14-22)15-36)46-28-9-11-42(19-32(28,33)34)29(44)8-10-35/h2-7,14,20-21,26,28H,8-9,11-13,16-19H2,1H3,(H,37,38,39,40)/t21-,28-/m0/s1","PMQODLVRCODLJS-KMRXNPHXSA-N",null,3]
["D13942",14512,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278032","C[C@H]1CN(CCN1c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(CC3(F)F)C(=O)CCO)c(c2)C#N)cc1)C1COC1","InChI=1S/C32H36F2N8O4/c1-21-16-40(26-17-45-18-26)11-12-42(21)25-5-3-24(4-6-25)38-31-37-20-36-30(39-31)22-2-7-27(23(14-22)15-35)46-28-8-10-41(19-32(28,33)34)29(44)9-13-43/h2-7,14,20-21,26,28,43H,8-13,16-19H2,1H3,(H,36,37,38,39)/t21-,28-/m0/s1","ZYIWBKBHSZCDAY-KMRXNPHXSA-N",null,3]
["D13943",14515,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278037","C[C@H]1CN(CCN1c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(CC3(F)F)C(=O)c3cnc[nH]3)c(c2)C#N)cc1)C1COC1",{"$nulls":3},3]
["D13944",14514,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278036","C[C@H]1CN(CCN1c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(CC3(F)F)C(=O)c3cnn[nH]3)c(c2)C#N)cc1)C1COC1",{"$nulls":3},3]
["D13945",17238,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278038","C[C@H]1CN(CCN1c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(CC3(F)F)C(=O)c3nnc[nH]3)c(c2)C#N)cc1)C1COC1",{"$nulls":3},2000,{"$nulls":4},7]
["D13946",16958,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278159","C[C@H]1CN(CCN1c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)C3CCC(=O)N3)c(c2)C#N)cc1)C1COC1","InChI=1S/C34H38FN9O4/c1-21-16-42(26-18-47-19-26)12-13-44(21)25-5-3-24(4-6-25)39-34-38-20-37-32(41-34)22-2-8-29(23(14-22)15-36)48-30-10-11-43(17-27(30)35)33(46)28-7-9-31(45)40-28/h2-6,8,14,20-21,26-28,30H,7,9-13,16-19H2,1H3,(H,40,45)(H,37,38,39,41)/t21-,27+,28?,30-/m0/s1","FBBJGFHGYDVTLK-YQEJWHRSSA-N",null,1000]
["D13947",14509,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278028","C[C@H]1CN(CCN1c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CC#N)c(c2)C#N)cc1)C1COC1","InChI=1S/C32H34FN9O3/c1-21-16-40(26-18-44-19-26)12-13-42(21)25-5-3-24(4-6-25)38-32-37-20-36-31(39-32)22-2-7-28(23(14-22)15-35)45-29-9-11-41(17-27(29)33)30(43)8-10-34/h2-7,14,20-21,26-27,29H,8-9,11-13,16-19H2,1H3,(H,36,37,38,39)/t21-,27+,29-/m0/s1","GJFXOWOMEQKLPP-PEXXQYNDSA-N",null,3]
["D13948",14730,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278029","C[C@H]1CN(CCN1c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CCO)c(c2)C#N)cc1)C1COC1","InChI=1S/C32H37FN8O4/c1-21-16-39(26-18-44-19-26)11-12-41(21)25-5-3-24(4-6-25)37-32-36-20-35-31(38-32)22-2-7-28(23(14-22)15-34)45-29-8-10-40(17-27(29)33)30(43)9-13-42/h2-7,14,20-21,26-27,29,42H,8-13,16-19H2,1H3,(H,35,36,37,38)/t21-,27+,29-/m0/s1","GHMJUVTUHKPGKE-PEXXQYNDSA-N",null,5]
["D13949",17356,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278022","C[C@H]1CN(CCN1c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)cc1)C1COC1","InChI=1S/C31H35FN8O4/c1-20-14-38(25-17-43-18-25)10-11-40(20)24-5-3-23(4-6-24)36-31-35-19-34-30(37-31)21-2-7-27(22(12-21)13-33)44-28-8-9-39(15-26(28)32)29(42)16-41/h2-7,12,19-20,25-26,28,41H,8-11,14-18H2,1H3,(H,34,35,36,37)/t20-,26+,28-/m0/s1","OYQSRSUSXBDIKK-GFNGZDJJSA-N",null,3000,{"$nulls":4},7]
["D13950",17237,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278035","C[C@H]1CN(CCN1c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)c3ccn[nH]3)c(c2)C#N)cc1)C1COC1",{"$nulls":3},2000,{"$nulls":4},7]
["D13951",14513,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278034","C[C@H]1CN(CCN1c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)c3cnc[nH]3)c(c2)C#N)cc1)C1COC1",{"$nulls":3},3]
["D13952",14628,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278033","C[C@H]1CN(CCN1c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)c3cnn[nH]3)c(c2)C#N)cc1)C1COC1",{"$nulls":3},4]
["D13953",14926,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277970","C[C@H]1CN(C[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)CO","InChI=1S/C30H34N8O4/c1-20-14-38(28(40)16-39)15-27(20)42-26-7-2-21(12-22(26)13-31)29-32-19-33-30(35-29)34-23-3-5-24(6-4-23)36-8-10-37(11-9-36)25-17-41-18-25/h2-7,12,19-20,25,27,39H,8-11,14-18H2,1H3,(H,32,33,34,35)/t20-,27-/m0/s1","BUBXEFMQVVFAPJ-DCFHFQCYSA-N",null,8]
["D13954",15198,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM375376","C[C@H]1CN(C[C@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)CO","InChI=1S/C30H34N8O4/c1-20-14-38(28(40)16-39)15-27(20)42-26-7-2-21(12-22(26)13-31)29-32-19-33-30(35-29)34-23-3-5-24(6-4-23)36-8-10-37(11-9-36)25-17-41-18-25/h2-7,12,19-20,25,27,39H,8-11,14-18H2,1H3,(H,32,33,34,35)/t20-,27+/m0/s1","BUBXEFMQVVFAPJ-CCLHPLFOSA-N",null,14]
["D13955",31551,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","PITSLRE serine/threonine-protein kinase CDC2L1","Homo sapiens","BDBM50528539","C[C@H]1CN(Cc2cc(ccc12)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1)c1cncnc1","InChI=1S/C26H23F3N6O/c1-16-11-34(23-9-30-14-31-10-23)13-19-5-18(3-4-24(16)19)25(36)33-21-6-20(26(27,28)29)7-22(8-21)35-12-17(2)32-15-35/h3-10,12,14-16H,11,13H2,1-2H3,(H,33,36)/t16-/m0/s1","CMJJZRAAQMUAFH-INIZCTEOSA-N",null,null,370]
["D13956",4917,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50503462","C[C@H]1CN(Cc2cc3nc(cc(-c4ccc(F)cc4)c3s2)C(N)=O)C[C@@H](C)O1","InChI=1S/C21H22FN3O2S/c1-12-9-25(10-13(2)27-12)11-16-7-18-20(28-16)17(8-19(24-18)21(23)26)14-3-5-15(22)6-4-14/h3-8,12-13H,9-11H2,1-2H3,(H2,23,26)/t12-,13+","CGOSJAXPXSHPEA-BETUJISGSA-N",null,">30000"]
["D13957",16461,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478335","C[C@H]1CN([C@H](C)CN1Cc1ccnc(Nc2nc3ccc(cc3[nH]2)-c2nc(C)no2)c1)C(=O)C1CC1",{"$nulls":3},268]
["D13958",16591,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478336","C[C@H]1CN([C@H](C)CN1Cc1ccnc(Nc2nc3ccc(cc3[nH]2)-c2nc(C)no2)c1)C(=O)C1CCC1",{"$nulls":3},405]
["D13959",16536,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478333","C[C@H]1CN([C@H](C)CN1Cc1ccnc(Nc2nc3ccc(cc3[nH]2)-c2nc(C)no2)c1)C(=O)CC(F)(F)F",{"$nulls":3},335]
["D13960",16413,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478334","C[C@H]1CN([C@H](C)CN1Cc1ccnc(Nc2nc3ccc(cc3[nH]2)-c2nc(C)no2)c1)C(=O)CC1CC1",{"$nulls":3},227]
["D13961",17254,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478332","C[C@H]1CN([C@H](C)CN1Cc1ccnc(Nc2nc3ccc(cc3[nH]2)-c2nc(C)no2)c1)C(=O)OC(C)(C)C",{"$nulls":3},2260]
["D13962",491,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173902","C[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc2","InChI=1S/C23H36N4O6/c1-16-15-32-12-4-5-13-33-18-9-7-17(8-10-18)14-20(21(28)25-16)27-23(31)26-19(22(29)30)6-2-3-11-24/h7-10,16,19-20H,2-6,11-15,24H2,1H3,(H,25,28)(H,29,30)(H2,26,27,31)/t16-,19-,20+/m0/s1","YWCJFURUASFZHP-FFZOFVMBSA-N",null,29,{"$nulls":4},7.4,"25.00 C"]
["D13963",13697,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19272629","C[C@H]1COCCCCOc2ccc(C[C@@H](NC(=O)N[C@@H](CCCCN)C(O)=O)C(=O)N1)cc3","InChI=1S/C23H36N4O6/c1-16-15-32-12-4-5-13-33-18-9-7-17(8-10-18)14-20(21(28)25-16)27-23(31)26-19(22(29)30)6-2-3-11-24/h7-10,16,19-20H,2-6,11-15,24H2,1H3,(H,25,28)(H,29,30)(H2,26,27,31)/t16-,19-,20+/m0/s2","YWCJFURUASFZHP-FFZOFVMBSA-N",-15324.4994715024,63.9126150201429,33668.0150190174,{"$nulls":3},6.73730492555939,"25.00 C"]
["D13964",15874,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397715","C[C@H]1COCCN1C(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C21H23N7O3/c1-13-12-31-5-4-28(13)20(29)11-25-16-6-15(8-23-17(16)7-22)18-9-26-19(10-24-18)27-21(30)14-2-3-14/h6,8-10,13-14,25H,2-5,11-12H2,1H3,(H,26,27,30)/t13-/m0/s1","OFSAJHQVIKCNBS-ZDUSSCGKSA-N",null,63.1]
["D13965",15222,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245981","C[C@H]1COCCN1Cc1cc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)ccn1","InChI=1S/C25H27FN8O/c1-17-16-35-9-8-33(17)15-22-11-21(2-5-28-22)31-25-29-6-3-23(32-25)19-10-18(12-27)24(30-13-19)34-7-4-20(26)14-34/h2-3,5-6,10-11,13,17,20H,4,7-9,14-16H2,1H3,(H,28,29,31,32)/t17-,20-/m0/s1","LFLBSZISFJPBKA-PXNSSMCTSA-N",null,"<15",{"$nulls":4},7.5]
["D13966",15228,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246083","C[C@H]1COCCN1Cc1ccc(Nc2nccc(n2)-c2cc(C#N)c(N3CC[C@H](F)C3)c(n2)C#N)cn1","InChI=1S/C26H26FN9O/c1-17-16-37-9-8-35(17)15-21-3-2-20(13-31-21)32-26-30-6-4-22(34-26)23-10-18(11-28)25(24(12-29)33-23)36-7-5-19(27)14-36/h2-4,6,10,13,17,19H,5,7-9,14-16H2,1H3,(H,30,32,34)/t17-,19-/m0/s1","VCDBIBIVKYVZFS-HKUYNNGSSA-N",null,"<15",{"$nulls":4},7.5]
["D13967",15508,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245982","C[C@H]1COCCN1Cc1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1","InChI=1S/C25H27FN8O/c1-17-16-35-9-8-33(17)15-22-3-2-21(13-29-22)31-25-28-6-4-23(32-25)19-10-18(11-27)24(30-12-19)34-7-5-20(26)14-34/h2-4,6,10,12-13,17,20H,5,7-9,14-16H2,1H3,(H,28,31,32)/t17-,20-/m0/s1","SWXGLPGOGGLVRB-PXNSSMCTSA-N",null,"<30",{"$nulls":4},7.5]
["D13968",17505,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277965","C[C@H]1C[C@@H](CCN1C(=O)CC#N)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C32H35N9O3/c1-22-16-28(9-11-41(22)30(42)8-10-33)44-29-7-2-23(17-24(29)18-34)31-35-21-36-32(38-31)37-25-3-5-26(6-4-25)39-12-14-40(15-13-39)27-19-43-20-27/h2-7,17,21-22,27-28H,8-9,11-16,19-20H2,1H3,(H,35,36,37,38)/t22-,28+/m0/s1","WTIINVMLUVQJGW-RBISFHTESA-N",null,5000,{"$nulls":4},7]
["D13969",15324,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277999","C[C@H]1C[C@@H](CCN1C(=O)CO)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C31H36N8O4/c1-21-14-27(8-9-39(21)29(41)17-40)43-28-7-2-22(15-23(28)16-32)30-33-20-34-31(36-30)35-24-3-5-25(6-4-24)37-10-12-38(13-11-37)26-18-42-19-26/h2-7,15,20-21,26-27,40H,8-14,17-19H2,1H3,(H,33,34,35,36)/t21-,27+/m0/s1","YLMVQBQUDMREPQ-KDYSTLNUSA-N",null,18]
["D13970",14608,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278312","C[C@H]1C[C@@H](O)CN1c1ccc(cc1C#N)-c1ncnc(Nc2ccc(N3CCN(CC3)C3COC3)c(C)c2)n1","InChI=1S/C29H34N8O2/c1-19-11-23(4-6-26(19)36-9-7-35(8-10-36)24-16-39-17-24)33-29-32-18-31-28(34-29)21-3-5-27(22(13-21)14-30)37-15-25(38)12-20(37)2/h3-6,11,13,18,20,24-25,38H,7-10,12,15-17H2,1-2H3,(H,31,32,33,34)/t20-,25+/m0/s1","GOVCFUQDLFTTQZ-NBGIEHNGSA-N",null,4]
["D13971",14998,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277983","C[C@H]1C[C@@H](O)CN1c1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H32N8O2/c1-19-12-25(37)15-36(19)26-7-2-20(13-21(26)14-29)27-30-18-31-28(33-27)32-22-3-5-23(6-4-22)34-8-10-35(11-9-34)24-16-38-17-24/h2-7,13,18-19,24-25,37H,8-12,15-17H2,1H3,(H,30,31,32,33)/t19-,25+/m0/s1","IYOHUZINNTYJDG-UQBPGWFLSA-N",null,1]
["D13972",4143,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67029","C[C@H]1C[C@@H]2O[C@H]2\\C=C\\CC\\C=C(C)\\C(=O)O[C@@H](C)C[C@@H](C)[C@H](O)[C@@H](O)C(=O)C[C@@H](O)C[C@@](C)(O)\\C(C)=C\\C(=C)C1","InChI=1S/C32H50O8/c1-19-13-20(2)15-28-27(40-28)12-10-8-9-11-21(3)31(37)39-24(6)16-22(4)29(35)30(36)26(34)17-25(33)18-32(7,38)23(5)14-19/h10-12,14,20,22,24-25,27-30,33,35-36,38H,1,8-9,13,15-18H2,2-7H3/b12-10+,21-11+,23-14+/t20-,22-,24+,25-,27+,28+,29+,30+,32-/m1/s1","PYXZGBVSQBXPDQ-GYAOARDBSA-N",{"$nulls":3},">350000"]
["D13973",14733,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM375462","C[C@H]1C[C@H](CCN1C(=O)CC#N)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C32H35N9O3/c1-22-16-28(9-11-41(22)30(42)8-10-33)44-29-7-2-23(17-24(29)18-34)31-35-21-36-32(38-31)37-25-3-5-26(6-4-25)39-12-14-40(15-13-39)27-19-43-20-27/h2-7,17,21-22,27-28H,8-9,11-16,19-20H2,1H3,(H,35,36,37,38)/t22-,28-/m0/s1","WTIINVMLUVQJGW-DWACAAAGSA-N",null,5]
["D13974",17103,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277947","C[C@H]1C[C@H](CCN1C(=O)CO)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C31H36N8O4/c1-21-14-27(8-9-39(21)29(41)17-40)43-28-7-2-22(15-23(28)16-32)30-33-20-34-31(36-30)35-24-3-5-25(6-4-24)37-10-12-38(13-11-37)26-18-42-19-26/h2-7,15,20-21,26-27,40H,8-14,17-19H2,1H3,(H,33,34,35,36)/t21-,27-/m0/s1","YLMVQBQUDMREPQ-IDISGSTGSA-N",null,2000,{"$nulls":4},7]
["D13975",14707,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277966","C[C@H]1C[C@H](CCN1C(=O)c1cnn[nH]1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1",{"$nulls":3},5]
["D13976",16262,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277878","C[C@H]1C[C@H](CN1C(=O)CO)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C30H34N8O4/c1-20-12-26(15-38(20)28(40)16-39)42-27-7-2-21(13-22(27)14-31)29-32-19-33-30(35-29)34-23-3-5-24(6-4-23)36-8-10-37(11-9-36)25-17-41-18-25/h2-7,13,19-20,25-26,39H,8-12,15-18H2,1H3,(H,32,33,34,35)/t20-,26+/m0/s1","DMKVMHGMWYFLSO-RXFWQSSRSA-N",null,121]
["D13977",15136,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277893","C[C@H]1C[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)CN1C(=O)CO","InChI=1S/C31H35FN8O4/c1-20-12-28(26(32)15-40(20)29(42)16-41)44-27-7-2-21(13-22(27)14-33)30-34-19-35-31(37-30)36-23-3-5-24(6-4-23)38-8-10-39(11-9-38)25-17-43-18-25/h2-7,13,19-20,25-26,28,41H,8-12,15-18H2,1H3,(H,34,35,36,37)/t20-,26+,28-/m0/s1","LBWNFKYKVLAKIG-GFNGZDJJSA-N",null,12]
["D13978",15890,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278194","C[C@H]1C[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)CN1C(=O)[C@@H]1CCC(=O)N1","InChI=1S/C34H38FN9O4/c1-21-14-30(27(35)17-44(21)33(46)28-7-9-31(45)40-28)48-29-8-2-22(15-23(29)16-36)32-37-20-38-34(41-32)39-24-3-5-25(6-4-24)42-10-12-43(13-11-42)26-18-47-19-26/h2-6,8,15,20-21,26-28,30H,7,9-14,17-19H2,1H3,(H,40,45)(H,37,38,39,41)/t21-,27+,28-,30-/m0/s1","FARUALDHGJOZLU-ONBUHFIZSA-N",null,64]
["D13979",16718,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278189","C[C@H]1C[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)CN1C(=O)[C@H]1CCC(=O)N1","InChI=1S/C34H38FN9O4/c1-21-14-30(27(35)17-44(21)33(46)28-7-9-31(45)40-28)48-29-8-2-22(15-23(29)16-36)32-37-20-38-34(41-32)39-24-3-5-25(6-4-24)42-10-12-43(13-11-42)26-18-47-19-26/h2-6,8,15,20-21,26-28,30H,7,9-14,17-19H2,1H3,(H,40,45)(H,37,38,39,41)/t21-,27+,28+,30-/m0/s1","FARUALDHGJOZLU-XXEDNTKWSA-N",null,533]
["D13980",31641,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50186732","C[C@H]1NC[C@H](O)[C@@H](O)C1(F)F","InChI=1S/C6H11F2NO2/c1-3-6(7,8)5(11)4(10)2-9-3/h3-5,9-11H,2H2,1H3/t3-,4+,5-/m1/s1","PPFKZUHHAXUCRZ-MROZADKFSA-N",">1000000",{"$nulls":5},6.8]
["D13981",15080,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278301","C[C@H]1OC(=O)N[C@@H]1C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C33H36FN9O5/c1-20-29(39-33(45)47-20)31(44)43-9-8-28(26(34)16-43)48-27-7-2-21(14-22(27)15-35)30-36-19-37-32(40-30)38-23-3-5-24(6-4-23)41-10-12-42(13-11-41)25-17-46-18-25/h2-7,14,19-20,25-26,28-29H,8-13,16-18H2,1H3,(H,39,45)(H,36,37,38,40)/t20-,26-,28+,29+/m1/s1","SEYRKYCIMBZUOV-WTAKHPFKSA-N",null,10]
["D13982",32071,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46356","C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C","InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1","WDJUZGPOPHTGOT-XUDUSOBPSA-N",null,">55700"]
["D13983",32069,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46355","C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C","InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1","LTMHDMANZUZIPE-PUGKRICDSA-N",null,">55700"]
["D13984",577,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197578","C[C@H]1[C@@H]2C[C@H](C[C@@H]1NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O)C2(C)C","InChI=1S/C25H46N4O5S/c1-16-19-14-18(25(19,2)3)15-21(16)27-23(30)22(13-17-9-5-4-6-10-17)29-35(33,34)28-20(24(31)32)11-7-8-12-26/h16-22,28-29H,4-15,26H2,1-3H3,(H,27,30)(H,31,32)/t16-,18+,19-,20-,21-,22-/m0/s1","CVNHXUCHQVVMEP-QOLIXYQJSA-N",null,130]
["D13985",31684,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50207369","C[C@H]1[C@H]2C[C@]34CC[C@H](C=C)[C@@]3(C)[C@@H](O)C[C@]4(C)[C@]22O[C@@H]2C1=O","InChI=1S/C19H26O3/c1-5-11-6-7-18-8-12-10(2)14(21)15-19(12,22-15)16(18,3)9-13(20)17(11,18)4/h5,10-13,15,20H,1,6-9H2,2-4H3/t10-,11-,12+,13-,15+,16-,17-,18-,19-/m0/s1","QWIJMFGHPKWGBS-UEIIUFPNSA-N",null,2000]
["D13986",4683,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM42463","C[C@H]1[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@]22[C@@H](C=CC[C@H](C)C=C(C)[C@@H](O)C(=O)C=CC2=O)[C@@H]2O[C@]12C","InChI=1S/C32H36N2O5/c1-17-8-7-10-22-29-31(4,39-29)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(38)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-14,16-17,19,22,24,27-29,33,37H,8,15H2,1-4H3,(H,34,38)/t17-,19-,22-,24-,27-,28+,29-,31+,32+/m0/s1","OUMWCYMRLMEZJH-RRFIZBDMSA-N",{"$nulls":3},216400]
["D13987",25795,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Beta-lactamase 1","Bacillus cereus","BDBM50285115","C[C@]1(CCl)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O","InChI=1S/C8H10ClNO5S/c1-8(3-9)6(7(12)13)10-4(11)2-5(10)16(8,14)15/h5-6H,2-3H2,1H3,(H,12,13)/t5-,6+,8+/m1/s1","FKPMWHDUEDLOCA-CHKWXVPMSA-N",null,250000]
["D13988",25798,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Beta-lactamase 1","Bacillus cereus","BDBM50285113","C[C@]1(CCl)[C@@H](N2[C@@H]([C@@H](Br)C2=O)S1(=O)=O)C(O)=O","InChI=1S/C8H9BrClNO5S/c1-8(2-10)4(7(13)14)11-5(12)3(9)6(11)17(8,15)16/h3-4,6H,2H2,1H3,(H,13,14)/t3-,4-,6+,8-/m0/s1","SLPDINXXXOXNTC-QXCXTELSSA-N",null,1000000]
["D13989",25793,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Beta-lactamase 1","Bacillus cereus","BDBM50285117","C[C@]1(CCl)[C@@H](N2[C@@H]([C@@H](Cl)C2=O)S1(=O)=O)C(O)=O","InChI=1S/C8H9Cl2NO5S/c1-8(2-9)4(7(13)14)11-5(12)3(10)6(11)17(8,15)16/h3-4,6H,2H2,1H3,(H,13,14)/t3-,4-,6+,8-/m0/s1","KRFMHFYIOFASQM-QXCXTELSSA-N",null,70000]
["D13990",25801,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Beta-lactamase 1","Bacillus cereus","BDBM50285120","C[C@]1(CCl)[C@@H](N2[C@@H]([C@@H](F)C2=O)S1(=O)=O)C(O)=O","InChI=1S/C8H9ClFNO5S/c1-8(2-9)4(7(13)14)11-5(12)3(10)6(11)17(8,15)16/h3-4,6H,2H2,1H3,(H,13,14)/t3-,4-,6+,8-/m0/s1","NNYKMFZPUVPASM-QXCXTELSSA-N",null,">3000000"]
["D13991",4086,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66977","C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1","InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1","XZTUSOXSLKTKJQ-CESUGQOBSA-N",{"$nulls":3},">350000"]
["D13992",25867,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM50308060","C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13","InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1","UIARLYUEJFELEN-LROUJFHJSA-N",null,null,">10000"]
["D13993",4116,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM50090505","C[C@]12[C@@H]3CC[C@@H](O3)[C@@]1(C)C(=O)OC2=O","InChI=1S/C10H12O4/c1-9-5-3-4-6(13-5)10(9,2)8(12)14-7(9)11/h5-6H,3-4H2,1-2H3/t5-,6+,9+,10-","DHZBEENLJMYSHQ-XCVPVQRUSA-N",{"$nulls":3},">350000"]
["D13994",3789,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66722","C[N+](C)(C)CCNC(=O)C1=C\\C(=C/[NH+]=O)N(Cc2ccccc2)C=C1","InChI=1S/C19H24N4O2/c1-23(2,3)12-10-20-19(24)17-9-11-22(18(13-17)14-21-25)15-16-7-5-4-6-8-16/h4-9,11,13-14H,10,12,15H2,1-3H3/p+2/b18-14+","HHQKIJJIVZUIMN-NBVRZTHBSA-P",{"$nulls":3},">350000"]
["D13995",31,"7dx1_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403034","C[N+](C)(C)C[C@H](N)CC([O-])=O","InChI=1S/C7H16N2O2/c1-9(2,3)5-6(8)4-7(10)11/h6H,4-5,8H2,1-3H3/t6-/m1/s1","DAWBGYHPBBDHMQ-ZCFIWIBFSA-N",null,3900]
["D13996",28573,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50377980","C[N+]1(C)CCc2cc3OCOc3cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21","InChI=1S/C21H20NO6/c1-22(2)6-5-11-7-15-16(26-9-25-15)8-13(11)18(22)19-12-3-4-14-20(27-10-24-14)17(12)21(23)28-19/h3-4,7-8,18-19H,5-6,9-10H2,1-2H3/q+1/t18-,19+/m0/s1","WDIQXKYUSINZME-RBUKOAKNSA-N",4400]
["D13997",15520,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM377099","C[N]1=CC=[N](C=C1)c1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C28H25N7O2/c1-34-10-12-35(13-11-34)22-5-2-19(3-6-22)27-32-26-25(30-18-31-28(26)33-27)20-4-7-24(21(16-20)17-29)37-23-8-14-36-15-9-23/h2-7,10-13,16,18,23H,8-9,14-15H2,1H3,(H,30,31,32,33)","BBHVCPIWNOWNHR-UHFFFAOYSA-N",null,1.14]
["D13998",25749,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50470925","C[n+]1ccc(CCCCCCCCCCCCc2cc[n+](C)c3ccccc23)c2ccccc12","InChI=1S/C32H42N2/c1-33-25-23-27(29-19-13-15-21-31(29)33)17-11-9-7-5-3-4-6-8-10-12-18-28-24-26-34(2)32-22-16-14-20-30(28)32/h13-16,19-26H,3-12,17-18H2,1-2H3/q+2","QIEMZTYFFISERP-UHFFFAOYSA-N",null,3900]
["D13999",25776,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50470938","C[n+]1ccc(CCCCCCCCCCc2cc[n+](C)c3ccccc23)c2ccccc12","InChI=1S/C30H38N2/c1-31-23-21-25(27-17-11-13-19-29(27)31)15-9-7-5-3-4-6-8-10-16-26-22-24-32(2)30-20-14-12-18-28(26)30/h11-14,17-24H,3-10,15-16H2,1-2H3/q+2","CLCKXRNZWOZHBG-UHFFFAOYSA-N",null,40000]
["D14000",25733,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50470933","C[n+]1ccc(NCCCCCCCCCCNc2cc[n+](C)c3cc(Cl)ccc23)c2ccc(Cl)cc12","InChI=1S/C30H36Cl2N4/c1-35-19-15-27(25-13-11-23(31)21-29(25)35)33-17-9-7-5-3-4-6-8-10-18-34-28-16-20-36(2)30-22-24(32)12-14-26(28)30/h11-16,19-22H,3-10,17-18H2,1-2H3/p+2","MKDLJMMXSVZMLV-UHFFFAOYSA-P",null,1300]
["D14001",25738,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50470927","C[n+]1ccc(NCCCCCCCCCCNc2cc[n+](C)c3ccccc23)c2ccccc12","InChI=1S/C30H38N4/c1-33-23-19-27(25-15-9-11-17-29(25)33)31-21-13-7-5-3-4-6-8-14-22-32-28-20-24-34(2)30-18-12-10-16-26(28)30/h9-12,15-20,23-24H,3-8,13-14,21-22H2,1-2H3/p+2","ISRMTJNZWUFOBJ-UHFFFAOYSA-P",null,2100]
["D14002",25744,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50470942","C[n+]1ccc(NCCCCCCCCNc2cc[n+](C)c3ccccc23)c2ccccc12","InChI=1S/C28H34N4/c1-31-21-17-25(23-13-7-9-15-27(23)31)29-19-11-5-3-4-6-12-20-30-26-18-22-32(2)28-16-10-8-14-24(26)28/h7-10,13-18,21-22H,3-6,11-12,19-20H2,1-2H3/p+2","FQYQTRHPVIGIHN-UHFFFAOYSA-P",null,2700]
["D14003",25757,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50470937","C[n+]1ccc(OCCCCCCCCCCOc2cc[n+](C)c3ccccc23)c2ccccc12","InChI=1S/C30H38N2O2/c1-31-21-19-29(25-15-9-11-17-27(25)31)33-23-13-7-5-3-4-6-8-14-24-34-30-20-22-32(2)28-18-12-10-16-26(28)30/h9-12,15-22H,3-8,13-14,23-24H2,1-2H3/q+2","AQPIRXSKYDBNDZ-UHFFFAOYSA-N",null,6800]
["D14004",25746,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50470931","C[n+]1ccc(SCCCCCCCCCCSc2cc[n+](C)c3ccccc23)c2ccccc12","InChI=1S/C30H38N2S2/c1-31-21-19-29(25-15-9-11-17-27(25)31)33-23-13-7-5-3-4-6-8-14-24-34-30-20-22-32(2)28-18-12-10-16-26(28)30/h9-12,15-22H,3-8,13-14,23-24H2,1-2H3/q+2","PPIJZXQODIJZTR-UHFFFAOYSA-N",null,3700]
["D14005",25440,"7e88_L",0.3,"Spike protein S1","DNA polymerase kappa","Homo sapiens","BDBM50250399","C\\C(CCC1=C(C)CCCC1(C)C)=C/CCC1=CC[C@@H](O[C@H]1O)C1=CC(=O)O[C@H]1O","InChI=1S/C25H36O5/c1-16(10-12-20-17(2)8-6-14-25(20,3)4)7-5-9-18-11-13-21(29-23(18)27)19-15-22(26)30-24(19)28/h7,11,15,21,23-24,27-28H,5-6,8-10,12-14H2,1-4H3/b16-7+/t21-,23-,24-/m1/s1","FGJIDQWRRLDGDB-CPIXEKRISA-N",null,3400]
["D14006",25782,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Sarcoplasmic/endoplasmic reticulum calcium ATPase 2","Rattus norvegicus","BDBM50527068","C\\C(O)=C1/C(=O)[C@@H]2[C@@H]3[C@@H](Cc4cccc5[nH]cc3c45)C(C)(C)N2C1=O","InChI=1S/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,16-17,21,23H,7H2,1-3H3/b14-9-/t12-,16+,17+/m1/s1","CNZIQHGDUXRUJS-PTNHGACKSA-N",null,90]
["D14007",25456,"7e88_L",0.3,"Spike protein S1","DNA polymerase kappa","Homo sapiens","BDBM50448691","C\\C(\\C=C\\CCC(=O)N1CCCC1=O)=C/C1CCCCO1","InChI=1S/C17H25NO3/c1-14(13-15-8-4-5-12-21-15)7-2-3-9-16(19)18-11-6-10-17(18)20/h2,7,13,15H,3-6,8-12H2,1H3/b7-2+,14-13+","MQFDZDSLEBWGRN-WFHWPNACSA-N",null,">200000"]
["D14008",25450,"7e88_L",0.3,"Spike protein S1","DNA polymerase kappa","Homo sapiens","BDBM50379293","C\\C=C\\C1=CC2=CC(=O)[C@@](C)(O)[C@@H](OC(=O)c3c(C)cc(O)cc3O)[C@@H]2CO1","InChI=1S/C21H22O7/c1-4-5-14-7-12-8-17(24)21(3,26)19(15(12)10-27-14)28-20(25)18-11(2)6-13(22)9-16(18)23/h4-9,15,19,22-23,26H,10H2,1-3H3/b5-4+/t15-,19+,21-/m1/s1","HNVJWWBKFFDQAA-DAYKGMGPSA-N",null,59800]
["D14009",25438,"7e88_L",0.3,"Spike protein S1","DNA polymerase kappa","Homo sapiens","BDBM50379292","C\\C=C\\C1=CC2=CC(=O)[C@@](C)(OC(=O)c3c(C)cc(O)cc3O)[C@@H](O)[C@@H]2CO1","InChI=1S/C21H22O7/c1-4-5-14-7-12-8-17(24)21(3,19(25)15(12)10-27-14)28-20(26)18-11(2)6-13(22)9-16(18)23/h4-9,15,19,22-23,25H,10H2,1-3H3/b5-4+/t15-,19+,21-/m1/s1","JCQWLKQBYHSHOG-DAYKGMGPSA-N",9850]
["D14010",4733,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66657","Cc1[nH]c(=S)c(C#N)c(C)c1Cc1ccc(Cl)cc1Cl","InChI=1S/C15H12Cl2N2S/c1-8-12(9(2)19-15(20)13(8)7-18)5-10-3-4-11(16)6-14(10)17/h3-4,6H,5H2,1-2H3,(H,19,20)","REZGJSVTYVDQFX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14011",25869,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM31095","Cc1[nH]c(\\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1","InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1","CTNPALGJUAXMMC-PMFHANACSA-N",null,null,">10000"]
["D14012",25896,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM50242737","Cc1[nH]c(\\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1","InChI=1S/C32H34Cl2N4O4S/c1-19-29(35-20(2)30(19)32(40)38-14-6-7-21(38)17-37-12-3-4-13-37)16-24-23-15-22(10-11-28(23)36-31(24)39)43(41,42)18-25-26(33)8-5-9-27(25)34/h5,8-11,15-16,21,35H,3-4,6-7,12-14,17-18H2,1-2H3,(H,36,39)/b24-16-/t21-/m1/s1","OYONTEXKYJZFHA-SSHUPFPWSA-N",null,null,">10000"]
["D14013",11994,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43126","Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCOc1ccccc1","InChI=1S/C19H18N2O3/c1-13-17(15-9-5-6-10-16(15)21-13)18(22)19(23)20-11-12-24-14-7-3-2-4-8-14/h2-10,21H,11-12H2,1H3,(H,20,23)","HMCYRGFFEYDWPF-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14014",4480,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM42241","Cc1[nH]n(-c2ccccc2)c(=O)c1C(C[N+]([O-])=O)c1ccc(C)cc1","InChI=1S/C19H19N3O3/c1-13-8-10-15(11-9-13)17(12-21(24)25)18-14(2)20-22(19(18)23)16-6-4-3-5-7-16/h3-11,17,20H,12H2,1-2H3","AVZIXPQZKUWQMG-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14015",32188,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43627","Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=O)NC1=O","InChI=1S/C15H12N4O4/c1-8-10(7-11-12(20)16-15(23)17-13(11)21)14(22)19(18-8)9-5-3-2-4-6-9/h2-7,18H,1H3,(H2,16,17,20,21,23)","BAOYWDFZNQUZNR-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D14016",31724,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43647","Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C=c2ccccc2=N1","InChI=1S/C19H15N3O/c1-13-17(12-15-11-14-7-5-6-10-18(14)20-15)19(23)22(21-13)16-8-3-2-4-9-16/h2-12,21H,1H3","KBKCZYHTRKVJMG-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D14017",12109,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM44131","Cc1[nH]n2c(nc(C)c(Cc3ccccc3)c2=O)c1-c1ccc(Cl)cc1","InChI=1S/C21H18ClN3O/c1-13-18(12-15-6-4-3-5-7-15)21(26)25-20(23-13)19(14(2)24-25)16-8-10-17(22)11-9-16/h3-11,24H,12H2,1-2H3","MSAWMUHBHIFPHD-UHFFFAOYSA-N",null,4492]
["D14018",11843,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42996","Cc1[nH]nc2OC(=N)C(C#N)C(c3ccc(o3)-c3ccc(Cl)cc3)c12","InChI=1S/C18H13ClN4O2/c1-9-15-16(12(8-20)17(21)25-18(15)23-22-9)14-7-6-13(24-14)10-2-4-11(19)5-3-10/h2-7,12,16,21H,1H3,(H,22,23)","MARQQILLJQRGSS-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14019",31743,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43547","Cc1c(C#N)c2ccccc2n1CC(O)=O","InChI=1S/C12H10N2O2/c1-8-10(6-13)9-4-2-3-5-11(9)14(8)7-12(15)16/h2-5H,7H2,1H3,(H,15,16)","JKRYSSLJLLGUDE-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D14020",4566,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66518","Cc1c(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2ccccc2O)c(=O)n(-c2ccccc2)n1C","InChI=1S/C29H28N4O3/c1-19-25(28(35)32(30(19)3)21-13-7-5-8-14-21)27(23-17-11-12-18-24(23)34)26-20(2)31(4)33(29(26)36)22-15-9-6-10-16-22/h5-18,27,34H,1-4H3","WJGYWGOVLWPNLP-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14021",3865,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66789","Cc1c(C)c(C)c(C(=O)CCc2cccc(NC(=O)CCC(O)=O)c2)c(C)c1C","InChI=1S/C24H29NO4/c1-14-15(2)17(4)24(18(5)16(14)3)21(26)10-9-19-7-6-8-20(13-19)25-22(27)11-12-23(28)29/h6-8,13H,9-12H2,1-5H3,(H,25,27)(H,28,29)","TTYOSKNFAVRAHL-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14022",4428,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66342","Cc1c(C=O)c(C=O)c(C)n1Cc1ccccc1","InChI=1S/C15H15NO2/c1-11-14(9-17)15(10-18)12(2)16(11)8-13-6-4-3-5-7-13/h3-7,9-10H,8H2,1-2H3","RECJWNWZVDPHTR-UHFFFAOYSA-N",{"$nulls":3},286800]
["D14023",12173,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87337","Cc1c(CC(=O)NCCCC(O)=O)c(=O)oc2cc3OC(C)(C)CCc3cc12","InChI=1S/C21H25NO6/c1-12-14-9-13-6-7-21(2,3)28-16(13)11-17(14)27-20(26)15(12)10-18(23)22-8-4-5-19(24)25/h9,11H,4-8,10H2,1-3H3,(H,22,23)(H,24,25)","LJNRNRXEHFJCST-UHFFFAOYSA-N",null,7515]
["D14024",3807,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66738","Cc1c(CCCC(O)=O)sc(N)c1C(=O)c1cccc(c1)C(F)(F)F","InChI=1S/C17H16F3NO3S/c1-9-12(6-3-7-13(22)23)25-16(21)14(9)15(24)10-4-2-5-11(8-10)17(18,19)20/h2,4-5,8H,3,6-7,21H2,1H3,(H,22,23)","VKIOQVZNZFRNDU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14025",4660,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM61545","Cc1c(CCOC(=O)c2ccc(N3CCOCC3)c(c2)[N+]([O-])=O)sc[n+]1CC#N","InChI=1S/C19H21N4O5S/c1-14-18(29-13-22(14)6-5-20)4-9-28-19(24)15-2-3-16(17(12-15)23(25)26)21-7-10-27-11-8-21/h2-3,12-13H,4,6-11H2,1H3/q+1","HDENVIKTAIGNNY-UHFFFAOYSA-N",{"$nulls":3},41880]
["D14026",11884,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43032","Cc1c(Cl)cccc1NC(=O)C1S\\C(=N/c2ccccc2)C(=C1N)c1nc2ccccc2s1","InChI=1S/C25H19ClN4OS2/c1-14-16(26)10-7-12-17(14)29-23(31)22-21(27)20(24(33-22)28-15-8-3-2-4-9-15)25-30-18-11-5-6-13-19(18)32-25/h2-13,22H,27H2,1H3,(H,29,31)/b28-24-","NDRPKQJLWFUBLT-COOPMVRXSA-N",{"$nulls":3},">79370"]
["D14027",4622,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66569","Cc1c(Cl)cccc1NC(=O)CN1CCN(CCNC=C2C(=O)CC(CC2=O)c2ccccc2)CC1","InChI=1S/C28H33ClN4O3/c1-20-24(29)8-5-9-25(20)31-28(36)19-33-14-12-32(13-15-33)11-10-30-18-23-26(34)16-22(17-27(23)35)21-6-3-2-4-7-21/h2-9,18,22,30H,10-17,19H2,1H3,(H,31,36)/b23-18-","AOCPVONLUDYIEO-NKFKGCMQSA-N",{"$nulls":3},">350000"]
["D14028",12344,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87301","Cc1c(Cl)cccc1NC(=O)Nc1ccccc1C(N)=O","InChI=1S/C15H14ClN3O2/c1-9-11(16)6-4-8-12(9)18-15(21)19-13-7-3-2-5-10(13)14(17)20/h2-8H,1H3,(H2,17,20)(H2,18,19,21)","JQAZDGAULUIAPN-UHFFFAOYSA-N",null,">35892"]
["D14029",3822,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66751","Cc1c(Cl)cccc1NC(=O)[C@@]1(CC(O)=O)CC(\\C=C\\c2ccccc2)=NO1","InChI=1S/C21H19ClN2O4/c1-14-17(22)8-5-9-18(14)23-20(27)21(13-19(25)26)12-16(24-28-21)11-10-15-6-3-2-4-7-15/h2-11H,12-13H2,1H3,(H,23,27)(H,25,26)/b11-10+/t21-/m0/s1","LPOXLCFXXZCTKM-ZJVMWOEPSA-N",{"$nulls":3},">350000"]
["D14030",17651,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50429867","Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O","InChI=1S/C23H22FN3O4S/c1-14-18(5-7-20(22(14)24)32(2,29)30)23(28)27-9-10-31-19-6-3-15(11-17(19)13-27)16-4-8-21(25)26-12-16/h3-8,11-12H,9-10,13H2,1-2H3,(H2,25,26)","LNFBAYSBVQBKFR-UHFFFAOYSA-N",null,">10000"]
["D14031",11944,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43077","Cc1c(NC(=S)Nc2c(C)cccc2C)c(=O)n(-c2ccccc2)n1C","InChI=1S/C20H22N4OS/c1-13-9-8-10-14(2)17(13)21-20(26)22-18-15(3)23(4)24(19(18)25)16-11-6-5-7-12-16/h5-12H,1-4H3,(H2,21,22,26)","HEUIFFFEXBRANX-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14032",12069,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM4721","Cc1c(NN=C(C#N)C(=O)c2ccccc2C)c(=O)n(-c2ccccc2)n1C","InChI=1S/C21H19N5O2/c1-14-9-7-8-12-17(14)20(27)18(13-22)23-24-19-15(2)25(3)26(21(19)28)16-10-5-4-6-11-16/h4-12,24H,1-3H3","ZGTYKJNHZXTCBG-UHFFFAOYSA-N",null,3533]
["D14033",4408,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM59806","Cc1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(Cl)c2)c(=O)n(-c2ccccc2)n1C","InChI=1S/C25H21ClN6O3S/c1-16-22(25(33)32(31(16)2)18-10-4-3-5-11-18)29-23-24(28-21-14-7-6-13-20(21)27-23)30-36(34,35)19-12-8-9-17(26)15-19/h3-15H,1-2H3,(H,27,29)(H,28,30)","MDBCXZZVFCUBIM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14034",17298,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278345","Cc1c(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@@H](O)CO)c(c2)C#N)cnn1C","InChI=1S/C23H25FN8O4/c1-13-17(9-28-31(13)2)29-23-27-12-26-21(30-23)14-3-4-19(15(7-14)8-25)36-20-5-6-32(10-16(20)24)22(35)18(34)11-33/h3-4,7,9,12,16,18,20,33-34H,5-6,10-11H2,1-2H3,(H,26,27,29,30)/t16-,18+,20+/m1/s1","DPSWJWLFWZHTFD-KPFFTGBYSA-N",null,3000,{"$nulls":4},7]
["D14035",4400,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66322","Cc1c(O)c(=O)ccn1Cc1ccccc1","InChI=1S/C13H13NO2/c1-10-13(16)12(15)7-8-14(10)9-11-5-3-2-4-6-11/h2-8,16H,9H2,1H3","DJXFYXVBMAAEKZ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14036",3529,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565076","Cc1c(OC2CC2)cccc1C1CCc2c(C1)cnn(-c1ncc(Br)cn1)c2=O","InChI=1S/C22H21BrN4O2/c1-13-18(3-2-4-20(13)29-17-6-7-17)14-5-8-19-15(9-14)10-26-27(21(19)28)22-24-11-16(23)12-25-22/h2-4,10-12,14,17H,5-9H2,1H3","OBJIMWPIILVOQS-UHFFFAOYSA-N",null,"<500"]
["D14037",3514,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565055","Cc1c(OC2CC2)cccc1C1CCc2c(C1)cnn(-c1ncccn1)c2=O","InChI=1S/C22H22N4O2/c1-14-18(4-2-5-20(14)28-17-7-8-17)15-6-9-19-16(12-15)13-25-26(21(19)27)22-23-10-3-11-24-22/h2-5,10-11,13,15,17H,6-9,12H2,1H3","WXVFPHQLBQUVAG-UHFFFAOYSA-N",null,"<500"]
["D14038",3531,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565078","Cc1c(OC2CC2)cccc1[C@@H]1CCc2c(C1)cnn(-c1ncccn1)c2=O","InChI=1S/C22H22N4O2/c1-14-18(4-2-5-20(14)28-17-7-8-17)15-6-9-19-16(12-15)13-25-26(21(19)27)22-23-10-3-11-24-22/h2-5,10-11,13,15,17H,6-9,12H2,1H3/t15-/m1/s1","WXVFPHQLBQUVAG-OAHLLOKOSA-N",null,"<500"]
["D14039",3586,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565079","Cc1c(OC2CC2)cccc1[C@H]1CCc2c(C1)cnn(-c1ncccn1)c2=O","InChI=1S/C22H22N4O2/c1-14-18(4-2-5-20(14)28-17-7-8-17)15-6-9-19-16(12-15)13-25-26(21(19)27)22-23-10-3-11-24-22/h2-5,10-11,13,15,17H,6-9,12H2,1H3/t15-/m0/s1","WXVFPHQLBQUVAG-HNNXBMFYSA-N",null,750]
["D14040",3580,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565053","Cc1c(OCC2CC2)cccc1C1CCc2c(C1)cnn(-c1ncccn1)c2=O","InChI=1S/C23H24N4O2/c1-15-19(4-2-5-21(15)29-14-16-6-7-16)17-8-9-20-18(12-17)13-26-27(22(20)28)23-24-10-3-11-25-23/h2-5,10-11,13,16-17H,6-9,12,14H2,1H3","UIKOHBKXASSBSI-UHFFFAOYSA-N",null,750]
["D14041",3617,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565057","Cc1c(OCc2ccccc2)cccc1C1CCc2c(C1)cnn(-c1ncccn1)c2=O","InChI=1S/C26H24N4O2/c1-18-22(9-5-10-24(18)32-17-19-7-3-2-4-8-19)20-11-12-23-21(15-20)16-29-30(25(23)31)26-27-13-6-14-28-26/h2-10,13-14,16,20H,11-12,15,17H2,1H3","UHFRKAJNCVHSCK-UHFFFAOYSA-N",null,15500]
["D14042",31711,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43534","Cc1c([nH][nH]c1=O)C(=O)NN=CC(Br)=Cc1ccccc1","InChI=1S/C14H13BrN4O2/c1-9-12(17-19-13(9)20)14(21)18-16-8-11(15)7-10-5-3-2-4-6-10/h2-8H,1H3,(H,18,21)(H2,17,19,20)","CYTJKKGVSCLHQA-UHFFFAOYSA-N",null,10480]
["D14043",4464,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66435","Cc1c(cccc1C(O)=O)N1N(O)c2ccccc2NC1=O","InChI=1S/C15H13N3O4/c1-9-10(14(19)20)5-4-8-12(9)17-15(21)16-11-6-2-3-7-13(11)18(17)22/h2-8,22H,1H3,(H,16,21)(H,19,20)","ACURCAPDHOOULG-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14044",4517,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66478","Cc1c(cccc1[N+]([O-])=O)C(=O)NCCN1C(=O)S\\C(=C/c2cccs2)C1=O","InChI=1S/C18H15N3O5S2/c1-11-13(5-2-6-14(11)21(25)26)16(22)19-7-8-20-17(23)15(28-18(20)24)10-12-4-3-9-27-12/h2-6,9-10H,7-8H2,1H3,(H,19,22)/b15-10-","AAPUXBODJIJXSY-GDNBJRDFSA-N",{"$nulls":3},">350000"]
["D14045",12156,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87297","Cc1c(cnn1-c1ccccc1)C(=O)C1C(N(Cc2cccnc2)C(=O)C1=O)c1ccccn1","InChI=1S/C26H21N5O3/c1-17-20(15-29-31(17)19-9-3-2-4-10-19)24(32)22-23(21-11-5-6-13-28-21)30(26(34)25(22)33)16-18-8-7-12-27-14-18/h2-15,22-23H,16H2,1H3","IAKDJAAWLQFXMV-UHFFFAOYSA-N",null,6546]
["D14046",17250,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478906","Cc1c(ncnc1C(F)(F)F)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C27H27F3N8O/c1-16-23(32-15-33-24(16)27(28,29)30)19-4-5-20-21(13-19)35-26(34-20)36-22-12-17(6-7-31-22)14-37-8-10-38(11-9-37)25(39)18-2-3-18/h4-7,12-13,15,18H,2-3,8-11,14H2,1H3,(H2,31,34,35,36)","UVGBASGTSICQRA-UHFFFAOYSA-N",null,2240]
["D14047",17243,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478905","Cc1c(ncnc1C(F)(F)F)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C26H24F6N8O/c1-15-22(34-14-35-23(15)26(30,31)32)17-2-3-18-19(11-17)37-24(36-18)38-20-10-16(4-5-33-20)13-39-6-8-40(9-7-39)21(41)12-25(27,28)29/h2-5,10-11,14H,6-9,12-13H2,1H3,(H2,33,36,37,38)","GQRVCOIVBAZVOT-UHFFFAOYSA-N",null,2100]
["D14048",17594,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478904","Cc1c(ncnc1C(F)(F)F)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C28H31F3N8O2/c1-17-23(33-16-34-24(17)28(29,30)31)19-5-6-20-21(14-19)36-25(35-20)37-22-13-18(7-8-32-22)15-38-9-11-39(12-10-38)26(40)41-27(2,3)4/h5-8,13-14,16H,9-12,15H2,1-4H3,(H2,32,35,36,37)","NXFRUXCYQKMZEQ-UHFFFAOYSA-N",null,7280]
["D14049",11893,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43040","Cc1c(sc(NC(=O)COc2ccccc2C)c1C#N)C(=O)Nc1cccc(C)c1C","InChI=1S/C24H23N3O3S/c1-14-9-7-10-19(16(14)3)26-23(29)22-17(4)18(12-25)24(31-22)27-21(28)13-30-20-11-6-5-8-15(20)2/h5-11H,13H2,1-4H3,(H,26,29)(H,27,28)","YELCHODZDWVQND-UHFFFAOYSA-N",{"$nulls":3},"<79370"]
["D14050",3864,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66788","Cc1c(sc2ccccc12)C(=O)c1ccccc1C(O)=O","InChI=1S/C17H12O3S/c1-10-11-6-4-5-9-14(11)21-16(10)15(18)12-7-2-3-8-13(12)17(19)20/h2-9H,1H3,(H,19,20)","VDVUQDXJGUWTNV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14051",3892,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66813","Cc1c(sc2nc(cc(c12)C(F)(F)F)-c1cccs1)C(O)=O","InChI=1S/C14H8F3NO2S2/c1-6-10-7(14(15,16)17)5-8(9-3-2-4-21-9)18-12(10)22-11(6)13(19)20/h2-5H,1H3,(H,19,20)","TWXKFVFBNXJAPT-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14052",12407,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42930","Cc1c(sc2nc(cn12)-c1ccc(F)cc1)C(=O)Nc1cccc(C)n1","InChI=1S/C19H15FN4OS/c1-11-4-3-5-16(21-11)23-18(25)17-12(2)24-10-15(22-19(24)26-17)13-6-8-14(20)9-7-13/h3-10H,1-2H3,(H,21,23,25)","ZPIHPNXIWYOBCV-UHFFFAOYSA-N",{"$nulls":3},22520]
["D14053",17060,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478505","Cc1c[nH]c(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C25H28N8O/c1-16-14-27-23(28-16)19-4-5-20-21(13-19)30-25(29-20)31-22-12-17(6-7-26-22)15-32-8-10-33(11-9-32)24(34)18-2-3-18/h4-7,12-14,18H,2-3,8-11,15H2,1H3,(H,27,28)(H2,26,29,30,31)","MNAANNUOYVDVRL-UHFFFAOYSA-N",null,1840]
["D14054",14713,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278305","Cc1c[nH]c(n1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1",{"$nulls":3},5]
["D14055",17963,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570037","Cc1cc(-c2c[nH]c3nccc(Oc4c(F)cc(NC5=NCC(F)(CO)CO5)cc4F)c23)n(C)n1",{"$nulls":3},">20000"]
["D14056",32174,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43613","Cc1cc(-c2ccc(Cl)cc2)c(C#N)c(N)n1","InChI=1S/C13H10ClN3/c1-8-6-11(12(7-15)13(16)17-8)9-2-4-10(14)5-3-9/h2-6H,1H3,(H2,16,17)","OIADGIDTZVRINS-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D14057",31738,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM68332","Cc1cc(-c2ccc(F)cc2)n2ncc(-c3ccccc3)c2n1","InChI=1S/C19H14FN3/c1-13-11-18(15-7-9-16(20)10-8-15)23-19(22-13)17(12-21-23)14-5-3-2-4-6-14/h2-12H,1H3","CXYQLDKRLAPLDZ-UHFFFAOYSA-N",{"$nulls":3}," 64.3"]
["D14058",31739,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM68333","Cc1cc(-c2ccncc2)n2ncc(-c3ccccc3)c2n1","InChI=1S/C18H14N4/c1-13-11-17(15-7-9-19-10-8-15)22-18(21-13)16(12-20-22)14-5-3-2-4-6-14/h2-12H,1H3","BDYLEIKJEYPCEO-UHFFFAOYSA-N",{"$nulls":3},">229.17"]
["D14059",4339,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66280","Cc1cc(-n2c(O)ccc2O)n(n1)-c1ccccc1","InChI=1S/C14H13N3O2/c1-10-9-12(16-13(18)7-8-14(16)19)17(15-10)11-5-3-2-4-6-11/h2-9,18-19H,1H3","SJJVJKGMTZBDKA-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14060",12157,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM7531","Cc1cc(=O)[nH]c(Nc2cccc(Br)c2)n1","InChI=1S/C11H10BrN3O/c1-7-5-10(16)15-11(13-7)14-9-4-2-3-8(12)6-9/h2-6H,1H3,(H2,13,14,15,16)","SYSWGBQDFINSGW-UHFFFAOYSA-N",null,6810]
["D14061",4381,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM57053","Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Br)cc2)c1C#N","InChI=1S/C15H12BrN3O2S/c1-9-6-13(20)19-15(12(9)7-17)22-8-14(21)18-11-4-2-10(16)3-5-11/h2-6H,8H2,1H3,(H,18,21)(H,19,20)","GJQRWYHEWWJLLL-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14062",31703,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43508","Cc1cc(=O)n(cn1)C(NC(=O)c1ccccc1)C(=O)c1ccccc1","InChI=1S/C20H17N3O3/c1-14-12-17(24)23(13-21-14)19(18(25)15-8-4-2-5-9-15)22-20(26)16-10-6-3-7-11-16/h2-13,19H,1H3,(H,22,26)","CBNMUUXYTARFEC-UHFFFAOYSA-N",null,9254]
["D14063",3939,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66853","Cc1cc(=O)n2nc(sc2n1)N1CCCC(C1)C(=O)NCCc1ccc(Cl)cc1","InChI=1S/C20H22ClN5O2S/c1-13-11-17(27)26-19(23-13)29-20(24-26)25-10-2-3-15(12-25)18(28)22-9-8-14-4-6-16(21)7-5-14/h4-7,11,15H,2-3,8-10,12H2,1H3,(H,22,28)","JOAGFGFFIXNKHK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14064",31947,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50103647","Cc1cc(=O)nc(Nc2nc(C)c3cc(C)c(C)cc3n2)[nH]1","InChI=1S/C16H17N5O/c1-8-5-12-11(4)18-16(19-13(12)6-9(8)2)21-15-17-10(3)7-14(22)20-15/h5-7H,1-4H3,(H2,17,18,19,20,21,22)","JFRCOUDVUJLEIQ-UHFFFAOYSA-N",null,">50000"]
["D14065",31949,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50103645","Cc1cc(=O)nc(Nc2nc(C)c3cc4OCOc4cc3n2)[nH]1","InChI=1S/C15H13N5O3/c1-7-3-13(21)19-14(16-7)20-15-17-8(2)9-4-11-12(23-6-22-11)5-10(9)18-15/h3-5H,6H2,1-2H3,(H2,16,17,18,19,20,21)","UFFGJDFZJLHBBQ-UHFFFAOYSA-N",null,">50000"]
["D14066",4032,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66933","Cc1cc(=O)oc2c(C)c(OCC(=O)N3CCN(CC3)C(=O)C3COc4ccccc4O3)ccc12","InChI=1S/C26H26N2O7/c1-16-13-24(30)35-25-17(2)19(8-7-18(16)25)33-15-23(29)27-9-11-28(12-10-27)26(31)22-14-32-20-5-3-4-6-21(20)34-22/h3-8,13,22H,9-12,14-15H2,1-2H3","IMSUJZPLLYXTGR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14067",4700,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66629","Cc1cc(=O)oc2cc(OCCC[n+]3ccccc3)ccc12","InChI=1S/C18H18NO3/c1-14-12-18(20)22-17-13-15(6-7-16(14)17)21-11-5-10-19-8-3-2-4-9-19/h2-4,6-9,12-13H,5,10-11H2,1H3/q+1","UYCTZPSQXMSBEM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14068",25638,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50048403","Cc1cc(=[NH2+])c2ccccc2n1CCCCCCCCCCn1c(C)cc(=[NH2+])c2ccccc12","InChI=1S/C30H38N4/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3/p+2","PCSWXVJAIHCTMO-UHFFFAOYSA-P",221]
["D14069",4107,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66994","Cc1cc(Br)c(OCc2ccc(cc2)C(=O)NN=Cc2ccc[nH]2)c(Br)c1","InChI=1S/C20H17Br2N3O2/c1-13-9-17(21)19(18(22)10-13)27-12-14-4-6-15(7-5-14)20(26)25-24-11-16-3-2-8-23-16/h2-11,23H,12H2,1H3,(H,25,26)/b24-11+","OKCDKESLNZVCFU-BHGWPJFGSA-N",{"$nulls":3},33820]
["D14070",4656,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66597","Cc1cc(C(=O)CCl)c(C)n1CCc1ccc(Cl)cc1","InChI=1S/C16H17Cl2NO/c1-11-9-15(16(20)10-17)12(2)19(11)8-7-13-3-5-14(18)6-4-13/h3-6,9H,7-8,10H2,1-2H3","PBBZQGGDDNSZDP-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14071",12324,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87356","Cc1cc(C(=O)COC(=O)C2=COCCO2)c(C)n1-c1ccccc1","InChI=1S/C19H19NO5/c1-13-10-16(14(2)20(13)15-6-4-3-5-7-15)17(21)11-25-19(22)18-12-23-8-9-24-18/h3-7,10,12H,8-9,11H2,1-2H3","UBSPOQLPEYAMRI-UHFFFAOYSA-N",null,">35872"]
["D14072",11972,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43105","Cc1cc(C(=O)COc2c(CO)cc(F)cc2CO)c(C)n1-c1ccc(C)c(C)c1","InChI=1S/C24H26FNO4/c1-14-5-6-21(7-15(14)2)26-16(3)8-22(17(26)4)23(29)13-30-24-18(11-27)9-20(25)10-19(24)12-28/h5-10,27-28H,11-13H2,1-4H3","NQOALKLMEGSGLC-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14073",11797,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM63301","Cc1cc(C(=O)COc2ccc(C)nc2[N+]([O-])=O)c(C)n1-c1ccccc1","InChI=1S/C20H19N3O4/c1-13-9-10-19(20(21-13)23(25)26)27-12-18(24)17-11-14(2)22(15(17)3)16-7-5-4-6-8-16/h4-11H,12H2,1-3H3","XXLYGCLVXNLVGO-UHFFFAOYSA-N",null,2458]
["D14074",12331,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM59524","Cc1cc(C(=O)COc2ccc(C)nc2[N+]([O-])=O)c(C)n1CC=C","InChI=1S/C17H19N3O4/c1-5-8-19-12(3)9-14(13(19)4)15(21)10-24-16-7-6-11(2)18-17(16)20(22)23/h5-7,9H,1,8,10H2,2-4H3","UIQMPVFCYITWMX-UHFFFAOYSA-N",null,">35875"]
["D14075",12125,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM6779","Cc1cc(C(=O)COc2ccc(C)nc2[N+]([O-])=O)c(C)n1Cc1cccs1","InChI=1S/C19H19N3O4S/c1-12-6-7-18(19(20-12)22(24)25)26-11-17(23)16-9-13(2)21(14(16)3)10-15-5-4-8-27-15/h4-9H,10-11H2,1-3H3","FFZFLLNDQJABIS-UHFFFAOYSA-N",null,5234]
["D14076",12308,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87285","Cc1cc(C(=O)COc2cccnc2[N+]([O-])=O)c(C)n1-c1ccc(C)cc1","InChI=1S/C20H19N3O4/c1-13-6-8-16(9-7-13)22-14(2)11-17(15(22)3)18(24)12-27-19-5-4-10-21-20(19)23(25)26/h4-11H,12H2,1-3H3","CCHYDEOHCJSSKW-UHFFFAOYSA-N",null,">35867"]
["D14077",12314,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM77737","Cc1cc(C(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccc1","InChI=1S/C20H20N2O/c1-14-9-11-17(12-10-14)21-20(23)19-13-15(2)22(16(19)3)18-7-5-4-6-8-18/h4-13H,1-3H3,(H,21,23)","PHEHYVPQUHDIAN-UHFFFAOYSA-N",null,">35869"]
["D14078",4073,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM50063753","Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O","InChI=1S/C22H14Cl2I2N2O2/c1-11-6-15(17(10-27)12-2-4-13(23)5-3-12)18(24)9-20(11)28-22(30)16-7-14(25)8-19(26)21(16)29/h2-9,17,29H,1H3,(H,28,30)","JMPFSEBWVLAJKM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14079",11867,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43017","Cc1cc(C)c(C#N)c(SCc2cc3OCOc3cc2Cl)n1","InChI=1S/C16H13ClN2O2S/c1-9-3-10(2)19-16(12(9)6-18)22-7-11-4-14-15(5-13(11)17)21-8-20-14/h3-5H,7-8H2,1-2H3","XWIRVUIKWOCNBQ-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14080",3502,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565040","Cc1cc(C)c(C2CCc3c(C2)cnn(-c2ncccn2)c3=O)c(C)c1","InChI=1S/C21H22N4O/c1-13-9-14(2)19(15(3)10-13)16-5-6-18-17(11-16)12-24-25(20(18)26)21-22-7-4-8-23-21/h4,7-10,12,16H,5-6,11H2,1-3H3","OPAGWXLYJXFRCT-UHFFFAOYSA-N",null,"<500"]
["D14081",12049,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43180","Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1ccc2[nH]c(=O)[nH]c2c1","InChI=1S/C16H17N3O3S/c1-9-6-10(2)15(11(3)7-9)23(21,22)19-12-4-5-13-14(8-12)18-16(20)17-13/h4-8,19H,1-3H3,(H2,17,18,20)","PMHDEKPSSFITSW-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14082",4596,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66546","Cc1cc(C)c(cc1Br)S(=O)(=O)N1CCCCCC1","InChI=1S/C14H20BrNO2S/c1-11-9-12(2)14(10-13(11)15)19(17,18)16-7-5-3-4-6-8-16/h9-10H,3-8H2,1-2H3","FORYZRJOPJWUKM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14083",4061,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66955","Cc1cc(C)c(cc1C)C(=O)COC(=O)C1CCN(CC1)c1ccc(cn1)C(F)(F)F","InChI=1S/C23H25F3N2O3/c1-14-10-16(3)19(11-15(14)2)20(29)13-31-22(30)17-6-8-28(9-7-17)21-5-4-18(12-27-21)23(24,25)26/h4-5,10-12,17H,6-9,13H2,1-3H3","WMQDFWWSSZUBQY-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14084",12395,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42919","Cc1cc(C)c(cc1C)C(=O)CSc1nnc(o1)-c1ccccc1Br","InChI=1S/C19H17BrN2O2S/c1-11-8-13(3)15(9-12(11)2)17(23)10-25-19-22-21-18(24-19)14-6-4-5-7-16(14)20/h4-9H,10H2,1-3H3","PEDKHFKXNZGLTE-UHFFFAOYSA-N",{"$nulls":3},69810]
["D14085",11943,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43076","Cc1cc(C)c2C3C=CCC3C(Nc2c1)c1cc2OCOc2cc1Br","InChI=1S/C21H20BrNO2/c1-11-6-12(2)20-13-4-3-5-14(13)21(23-17(20)7-11)15-8-18-19(9-16(15)22)25-10-24-18/h3-4,6-9,13-14,21,23H,5,10H2,1-2H3","KCONBCAFNVTJDZ-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14086",28742,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50275088","Cc1cc(C)c2CCCC(Nc3nc4ccccc4[nH]3)c2c1","InChI=1S/C19H21N3/c1-12-10-13(2)14-6-5-9-16(15(14)11-12)20-19-21-17-7-3-4-8-18(17)22-19/h3-4,7-8,10-11,16H,5-6,9H2,1-2H3,(H2,20,21,22)","HDRJYUOXDGFTLC-UHFFFAOYSA-N",null,null,33]
["D14087",4740,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66664","Cc1cc(C)c2c(N)c(sc2n1)-c1nnc(SCc2ccc(F)cc2)n1CC=C","InChI=1S/C21H20FN5S2/c1-4-9-27-19(18-17(23)16-12(2)10-13(3)24-20(16)29-18)25-26-21(27)28-11-14-5-7-15(22)8-6-14/h4-8,10H,1,9,11,23H2,2-3H3","RDORFMNVMINAMY-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14088",31955,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50103760","Cc1cc(C)c2nc(Nc3nc(=O)c(CC=C)c(C)[nH]3)nc(C)c2c1","InChI=1S/C19H21N5O/c1-6-7-14-12(4)20-19(23-17(14)25)24-18-21-13(5)15-9-10(2)8-11(3)16(15)22-18/h6,8-9H,1,7H2,2-5H3,(H2,20,21,22,23,24,25)","GMKLSXRTUUAEOD-UHFFFAOYSA-N",null,">50000"]
["D14089",31956,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50103761","Cc1cc(C)c2nc(Nc3nc(=O)cc([nH]3)-c3ccccc3)nc(C)c2c1","InChI=1S/C21H19N5O/c1-12-9-13(2)19-16(10-12)14(3)22-20(25-19)26-21-23-17(11-18(27)24-21)15-7-5-4-6-8-15/h4-11H,1-3H3,(H2,22,23,24,25,26,27)","JIGWMNRWIILAAP-UHFFFAOYSA-N",null,">50000"]
["D14090",31987,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50103829","Cc1cc(C)c2nc(Nc3nc(C)c(C)c(O)n3)nc(C)c2c1","InChI=1S/C17H19N5O/c1-8-6-9(2)14-13(7-8)12(5)19-16(20-14)22-17-18-11(4)10(3)15(23)21-17/h6-7H,1-5H3,(H2,18,19,20,21,22,23)","ZQNLHQMVYUYLMK-UHFFFAOYSA-N",null,">50000"]
["D14091",31807,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50103759","Cc1cc(C)c2nc(Nc3nc(C)cc(O)n3)nc(C)c2c1","InChI=1S/C16H17N5O/c1-8-5-9(2)14-12(6-8)11(4)18-16(20-14)21-15-17-10(3)7-13(22)19-15/h5-7H,1-4H3,(H2,17,18,19,20,21,22)","CHVMLVXUCBFGOM-UHFFFAOYSA-N",null,12100]
["D14092",4440,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66350","Cc1cc(C)cc(COn2ccnc2)c1","InChI=1S/C12H14N2O/c1-10-5-11(2)7-12(6-10)8-15-14-4-3-13-9-14/h3-7,9H,8H2,1-2H3","XZOKMCRHCVZZRU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14093",4520,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66480","Cc1cc(C)cc(Cn2ncc(Cl)c(Cl)c2=O)c1","InChI=1S/C13H12Cl2N2O/c1-8-3-9(2)5-10(4-8)7-17-13(18)12(15)11(14)6-16-17/h3-6H,7H2,1-2H3","LQCNMWUGGBGOSX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14094",4324,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66418","Cc1cc(C)cc(NC(=O)C(=C\\c2cn(CC(=O)NCc3ccco3)c3ccccc23)\\C#N)c1","InChI=1S/C27H24N4O3/c1-18-10-19(2)12-22(11-18)30-27(33)20(14-28)13-21-16-31(25-8-4-3-7-24(21)25)17-26(32)29-15-23-6-5-9-34-23/h3-13,16H,15,17H2,1-2H3,(H,29,32)(H,30,33)/b20-13+","IUXJEXGEWOOMJH-DEDYPNTBSA-N",{"$nulls":3},4647]
["D14095",4614,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66563","Cc1cc(C)cc(NC(=O)CCN2CCCC2)c1","InChI=1S/C15H22N2O/c1-12-9-13(2)11-14(10-12)16-15(18)5-8-17-6-3-4-7-17/h9-11H,3-8H2,1-2H3,(H,16,18)","DOCALGAWDLALGI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14096",355,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81905","Cc1cc(C)cc(c1)-c1nnc(SCC(=O)N2CCCc3ccccc23)o1","InChI=1S/C21H21N3O2S/c1-14-10-15(2)12-17(11-14)20-22-23-21(26-20)27-13-19(25)24-9-5-7-16-6-3-4-8-18(16)24/h3-4,6,8,10-12H,5,7,9,13H2,1-2H3","SVVCCBBUWWVOLZ-UHFFFAOYSA-N",7400]
["D14097",13561,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19246104","Cc1cc(C)cc(c1)-c1nnc(SCC(=O)N2CCCc3ccccc23)o2","InChI=1S/C21H21N3O2S/c1-14-10-15(2)12-17(11-14)20-22-23-21(26-20)27-13-19(25)24-9-5-7-16-6-3-4-8-18(16)24/h3-4,6,8,10-12H,5,7,9,13H2,1-2H4","SVVCCBBUWWVOLZ-UHFFFAOYSA-N",-1430.68729796471,-137688.46907495,33581.7244884314,{"$nulls":3},6.73724489898882]
["D14098",3737,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66360","Cc1cc(C)cc(c1)C(=O)N1CC(=O)Nc2ccccc12","InChI=1S/C17H16N2O2/c1-11-7-12(2)9-13(8-11)17(21)19-10-16(20)18-14-5-3-4-6-15(14)19/h3-9H,10H2,1-2H3,(H,18,20)","HZVVNFUIEIANJX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14099",3980,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66886","Cc1cc(C)cc(c1)N(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O","InChI=1S/C23H26N4O5S/c1-13-9-14(2)11-18(10-13)27(12-20(28)25-19-8-6-7-15(3)16(19)4)33(31,32)21-17(5)24-23(30)26-22(21)29/h6-11H,12H2,1-5H3,(H,25,28)(H2,24,26,29,30)","COOUCRZGALPFDL-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14100",4560,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66512","Cc1cc(C)cc(c1)N=Cc1c(O)c2ccccc2oc1=O","InChI=1S/C18H15NO3/c1-11-7-12(2)9-13(8-11)19-10-15-17(20)14-5-3-4-6-16(14)22-18(15)21/h3-10,20H,1-2H3","MTVBPBPTAKSURN-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14101",4694,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66625","Cc1cc(C)n(CCC(=O)N\\N=C\\c2ccc(Cl)c(c2)[N+]([O-])=O)n1","InChI=1S/C15H16ClN5O3/c1-10-7-11(2)20(19-10)6-5-15(22)18-17-9-12-3-4-13(16)14(8-12)21(23)24/h3-4,7-9H,5-6H2,1-2H3,(H,18,22)/b17-9+","KOYMXWVNMDLVQN-RQZCQDPDSA-N",{"$nulls":3},">350000"]
["D14102",16908,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278387","Cc1cc(C)n(CCOc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)n1","InChI=1S/C30H33N9O2/c1-21-15-22(2)39(36-21)13-14-41-28-8-3-23(16-24(28)17-31)29-32-20-33-30(35-29)34-25-4-6-26(7-5-25)37-9-11-38(12-10-37)27-18-40-19-27/h3-8,15-16,20,27H,9-14,18-19H2,1-2H3,(H,32,33,34,35)","TUPAGZHESPWJDF-UHFFFAOYSA-N",null,1000]
["D14103",32097,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46386","Cc1cc(C)n(Cc2ccc(NC(=O)c3ccc(COc4ccccc4Br)cc3)cc2)n1","InChI=1S/C26H24BrN3O2/c1-18-15-19(2)30(29-18)16-20-9-13-23(14-10-20)28-26(31)22-11-7-21(8-12-22)17-32-25-6-4-3-5-24(25)27/h3-15H,16-17H2,1-2H3,(H,28,31)","LSIJVGVQXDFLSS-UHFFFAOYSA-N",null,">55700"]
["D14104",3931,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66846","Cc1cc(C)n(n1)-c1ccc(NC(=O)C2CCN(Cc3ccc(C)o3)CC2)cc1","InChI=1S/C23H28N4O2/c1-16-14-17(2)27(25-16)21-7-5-20(6-8-21)24-23(28)19-10-12-26(13-11-19)15-22-9-4-18(3)29-22/h4-9,14,19H,10-13,15H2,1-3H3,(H,24,28)","RLBMUPQAKWEGKR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14105",28585,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50275157","Cc1cc(C)n(n1)-c1nc(C)cc(NC2CCCCC2)n1","InChI=1S/C16H23N5/c1-11-10-15(18-14-7-5-4-6-8-14)19-16(17-11)21-13(3)9-12(2)20-21/h9-10,14H,4-8H2,1-3H3,(H,17,18,19)","USEMRPYUFJNFQN-UHFFFAOYSA-N",">50000"]
["D14106",4390,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM57062","Cc1cc(C)n(n1)-c1nc(Nc2ccccc2C)nc(n1)-n1nc(C)cc1C","InChI=1S/C20H22N8/c1-12-8-6-7-9-17(12)21-18-22-19(27-15(4)10-13(2)25-27)24-20(23-18)28-16(5)11-14(3)26-28/h6-11H,1-5H3,(H,21,22,23,24)","IVZXSZPDHISPOP-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14107",12386,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42910","Cc1cc(C)n(n1)-c1nc(SCC(=O)Nc2nccs2)c2c3CC(C)(C)OCc3sc2n1","InChI=1S/C21H22N6O2S3/c1-11-7-12(2)27(26-11)19-24-17(31-10-15(28)23-20-22-5-6-30-20)16-13-8-21(3,4)29-9-14(13)32-18(16)25-19/h5-7H,8-10H2,1-4H3,(H,22,23,28)","AXPCQQONFZSGSW-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14108",31775,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43574","Cc1cc(C)n(n1)-c1nnc2SCC(=Nn12)c1c[nH]c2ccccc12","InChI=1S/C17H15N7S/c1-10-7-11(2)23(21-10)16-19-20-17-24(16)22-15(9-25-17)13-8-18-14-6-4-3-5-12(13)14/h3-8,18H,9H2,1-2H3","CQWIVLGOZCPJOL-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D14109",4355,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66291","Cc1cc(C)n(n1)S(=O)(=O)c1ccc(C)c(C)c1C","InChI=1S/C14H18N2O2S/c1-9-6-7-14(13(5)12(9)4)19(17,18)16-11(3)8-10(2)15-16/h6-8H,1-5H3","MNBURZVTYWTTMT-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14110",4190,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67073","Cc1cc(C)n2nc(SCC(=O)NC(=O)c3ccccc3)nc2n1","InChI=1S/C16H15N5O2S/c1-10-8-11(2)21-15(17-10)19-16(20-21)24-9-13(22)18-14(23)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,18,22,23)","FBCSTYKTQQTGBD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14111",12117,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM5343","Cc1cc(C)nc(SCc2ccc(cc2)C(=O)NN=Cc2cccc(O)c2O)n1","InChI=1S/C21H20N4O3S/c1-13-10-14(2)24-21(23-13)29-12-15-6-8-16(9-7-15)20(28)25-22-11-17-4-3-5-18(26)19(17)27/h3-11,26-27H,12H2,1-2H3,(H,25,28)","UYGULAZSTIAFFN-UHFFFAOYSA-N",null,4722]
["D14112",11823,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM34648","Cc1cc(C)nc(c1)N=c1ssnc1Cl","InChI=1S/C9H8ClN3S2/c1-5-3-6(2)11-7(4-5)12-9-8(10)13-15-14-9/h3-4H,1-2H3","AVDSFLMZEWGWOV-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14113",4347,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66286","Cc1cc(C2C(C#N)C(=N)SC(=N)C2C#N)c(C)s1","InChI=1S/C13H12N4S2/c1-6-3-8(7(2)18-6)11-9(4-14)12(16)19-13(17)10(11)5-15/h3,9-11,16-17H,1-2H3","TWGYBULSNGOWMM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14114",12377,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM34262","Cc1cc(C=Nn2cnnc2)c(C)n1-c1sc(C)c(C)c1C#N","InChI=1S/C16H16N6S/c1-10-5-14(7-20-21-8-18-19-9-21)12(3)22(10)16-15(6-17)11(2)13(4)23-16/h5,7-9H,1-4H3","AQVHLVIDHRPCCN-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14115",563,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144316","Cc1cc(CC(C(O)=O)c2cnc[nH]2)cnc1N","InChI=1S/C12H14N4O2/c1-7-2-8(4-15-11(7)13)3-9(12(17)18)10-5-14-6-16-10/h2,4-6,9H,3H2,1H3,(H2,13,15)(H,14,16)(H,17,18)","XKXDTPUXXDHNME-UHFFFAOYSA-N",null,100]
["D14116",15779,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478385","Cc1cc(CN2CCN(CC2)C(=O)C2CC2)cc(Nc2nc3ccc(cc3[nH]2)-c2ccnc(C)n2)n1","InChI=1S/C27H30N8O/c1-17-13-19(16-34-9-11-35(12-10-34)26(36)20-3-4-20)14-25(29-17)33-27-31-23-6-5-21(15-24(23)32-27)22-7-8-28-18(2)30-22/h5-8,13-15,20H,3-4,9-12,16H2,1-2H3,(H2,29,31,32,33)","JUHFPZISTIMCHR-UHFFFAOYSA-N",null,45.8]
["D14117",15177,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478370","Cc1cc(CN2CCN(CC2)C(=O)C2CC2)cc(Nc2nc3ccc(cc3[nH]2)-c2ccncn2)n1","InChI=1S/C26H28N8O/c1-17-12-18(15-33-8-10-34(11-9-33)25(35)19-2-3-19)13-24(29-17)32-26-30-22-5-4-20(14-23(22)31-26)21-6-7-27-16-28-21/h4-7,12-14,16,19H,2-3,8-11,15H2,1H3,(H2,29,30,31,32)","IRWHOHKVWGRNDM-UHFFFAOYSA-N",null,13.6]
["D14118",15884,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478386","Cc1cc(CN2CCN(CC2)C(=O)CC(F)(F)F)cc(Nc2nc3ccc(cc3[nH]2)-c2ccnc(C)n2)n1","InChI=1S/C26H27F3N8O/c1-16-11-18(15-36-7-9-37(10-8-36)24(38)14-26(27,28)29)12-23(31-16)35-25-33-21-4-3-19(13-22(21)34-25)20-5-6-30-17(2)32-20/h3-6,11-13H,7-10,14-15H2,1-2H3,(H2,31,33,34,35)","SELPQMXXWUCWJF-UHFFFAOYSA-N",null,63.1]
["D14119",15372,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478369","Cc1cc(CN2CCN(CC2)C(=O)CC(F)(F)F)cc(Nc2nc3ccc(cc3[nH]2)-c2ccncn2)n1","InChI=1S/C25H25F3N8O/c1-16-10-17(14-35-6-8-36(9-7-35)23(37)13-25(26,27)28)11-22(31-16)34-24-32-20-3-2-18(12-21(20)33-24)19-4-5-29-15-30-19/h2-5,10-12,15H,6-9,13-14H2,1H3,(H2,31,32,33,34)","MAZJJKFTZDAQEF-UHFFFAOYSA-N",null,20.4]
["D14120",3511,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565049","Cc1cc(Cl)ccc1C1CCc2c(C1)cnn(-c1ncccn1)c2=O","InChI=1S/C19H17ClN4O/c1-12-9-15(20)4-6-16(12)13-3-5-17-14(10-13)11-23-24(18(17)25)19-21-7-2-8-22-19/h2,4,6-9,11,13H,3,5,10H2,1H3","JKXBWPAZBWOWMM-UHFFFAOYSA-N",null,"<500"]
["D14121",32287,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446015","Cc1cc(Cl)ccc1N1CCN(CC1)C(=O)N1CCOCC1","InChI=1S/C16H22ClN3O2/c1-13-12-14(17)2-3-15(13)18-4-6-19(7-5-18)16(21)20-8-10-22-11-9-20/h2-3,12H,4-11H2,1H3","CGWKFJWLQGMJGM-UHFFFAOYSA-N",null,">30000"]
["D14122",4120,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67006","Cc1cc(Cl)ccc1OCC(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O","InChI=1S/C17H18ClN3O6/c1-9-6-10(18)4-5-12(9)26-8-13(23)27-7-11(22)14-15(19)20(2)17(25)21(3)16(14)24/h4-6H,7-8,19H2,1-3H3","HUYDZCKXKHTYOA-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14123",11891,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43038","Cc1cc(Cl)ccc1Oc1ncnc2oc(cc12)-c1ccccc1","InChI=1S/C19H13ClN2O2/c1-12-9-14(20)7-8-16(12)23-18-15-10-17(13-5-3-2-4-6-13)24-19(15)22-11-21-18/h2-11H,1H3","OCVUXRPCFYJURB-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14124",651,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144323","Cc1cc(N)ncc1CC(C(O)=O)c1cnc[nH]1","InChI=1S/C12H14N4O2/c1-7-2-11(13)15-4-8(7)3-9(12(17)18)10-5-14-6-16-10/h2,4-6,9H,3H2,1H3,(H2,13,15)(H,14,16)(H,17,18)","KALXZOHMRQIEQG-UHFFFAOYSA-N",null,1500]
["D14125",13857,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19303835","Cc1cc(N)ncc1CC(C(O)=O)c1cnc[nH]2","InChI=1S/C12H14N4O2/c1-7-2-11(13)15-4-8(7)3-9(12(17)18)10-5-14-6-16-10/h2,4-6,9H,3H2,1H3,(H2,13,15)(H,14,16)(H,17,18)","KALXZOHMRQIEQG-UHFFFAOYSA-N",-31670.160852135,3623.68717792114,33769.5332902952,{"$nulls":3},6.73737554505418]
["D14126",3653,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50552332","Cc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1NC(=O)c1ccc(Cl)o1","InChI=1S/C20H16ClFN2O4/c1-10-8-15(24-19(26)11-4-2-3-5-12(11)20(24)27)13(22)9-14(10)23-18(25)16-6-7-17(21)28-16/h6-9H,2-5H2,1H3,(H,23,25)","FXAOEVFPRRRJBW-UHFFFAOYSA-N",{"$nulls":3},400]
["D14127",3654,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50552333","Cc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1NC(=O)c1ccco1","InChI=1S/C20H17FN2O4/c1-11-9-16(23-19(25)12-5-2-3-6-13(12)20(23)26)14(21)10-15(11)22-18(24)17-7-4-8-27-17/h4,7-10H,2-3,5-6H2,1H3,(H,22,24)","VAEVWBOTTXZZNF-UHFFFAOYSA-N",{"$nulls":3},377]
["D14128",4448,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66426","Cc1cc(N2C(=O)C=CC2=O)c(cc1C)[N+]([O-])=O","InChI=1S/C12H10N2O4/c1-7-5-9(10(14(17)18)6-8(7)2)13-11(15)3-4-12(13)16/h3-6H,1-2H3","YVCAYKROBQIQLW-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14129",4508,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM52488","Cc1cc(NC(=O)C(=C\\c2ccc(o2)-c2ccc(SC(F)F)cc2)\\C#N)n(n1)-c1ccccc1","InChI=1S/C25H18F2N4O2S/c1-16-13-23(31(30-16)19-5-3-2-4-6-19)29-24(32)18(15-28)14-20-9-12-22(33-20)17-7-10-21(11-8-17)34-25(26)27/h2-14,25H,1H3,(H,29,32)/b18-14+","BUGBPHJTKKXXNZ-NBVRZTHBSA-N",{"$nulls":3},44330]
["D14130",4709,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66638","Cc1cc(NC(=O)CCC(=O)N(C(C(=O)NC2CCCC2)c2ccco2)c2cc(C)ccc2C)no1","InChI=1S/C27H32N4O5/c1-17-10-11-18(2)21(15-17)31(25(33)13-12-24(32)29-23-16-19(3)36-30-23)26(22-9-6-14-35-22)27(34)28-20-7-4-5-8-20/h6,9-11,14-16,20,26H,4-5,7-8,12-13H2,1-3H3,(H,28,34)(H,29,30,32)","FKOIYMOYCMAJCP-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14131",31825,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM38996","Cc1cc(NC(=O)CCCS(=O)(=O)c2nc(cc(n2)C(F)(F)F)-c2cccs2)no1","InChI=1S/C17H15F3N4O4S2/c1-10-8-14(24-28-10)23-15(25)5-3-7-30(26,27)16-21-11(12-4-2-6-29-12)9-13(22-16)17(18,19)20/h2,4,6,8-9H,3,5,7H2,1H3,(H,23,24,25)","XGDMKEYIMVIZGF-UHFFFAOYSA-N",null,16860]
["D14132",4255,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM50322732","Cc1cc(NC(=O)COC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)no1","InChI=1S/C20H19N3O6/c1-13-10-17(23-29-13)22-18(24)12-28-20(26)15(11-14-6-3-2-4-7-14)21-19(25)16-8-5-9-27-16/h2-10,15H,11-12H2,1H3,(H,21,25)(H,22,23,24)","ZYYMBBMNVVYCEY-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14133",4163,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67047","Cc1cc(NC(=O)COC(=O)[C+]2CCC(=O)N([N-]2)c2ccccc2)c(cc1C)[N+]([O-])=O","InChI=1S/C21H20N4O6/c1-13-10-17(18(25(29)30)11-14(13)2)22-19(26)12-31-21(28)16-8-9-20(27)24(23-16)15-6-4-3-5-7-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,22,26)","PHRBMYPKLVAPLP-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14134",4678,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66616","Cc1cc(NC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2Cc2ccco2)no1","InChI=1S/C19H15ClN4O4S/c1-11-7-16(23-28-11)22-17(25)10-29-19-21-15-8-12(20)4-5-14(15)18(26)24(19)9-13-3-2-6-27-13/h2-8H,9-10H2,1H3,(H,22,23,25)","IBQOSUPAYTVSQE-UHFFFAOYSA-N",{"$nulls":3},109200]
["D14135",17616,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209666","Cc1cc(NC(=O)c2cc(cnc2N)-c2ccc(CN3CCOCC3)s2)cc(C)n1","InChI=1S/C22H25N5O2S/c1-14-9-17(10-15(2)25-14)26-22(28)19-11-16(12-24-21(19)23)20-4-3-18(30-20)13-27-5-7-29-8-6-27/h3-4,9-12H,5-8,13H2,1-2H3,(H2,23,24)(H,25,26,28)","YQJHBHLODKPXHK-UHFFFAOYSA-N",null,8200,{"$nulls":4},7.5,"30.00 C"]
["D14136",15941,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209645","Cc1cc(NC(=O)c2cc(cnc2N)-c2ccc(CN3CCOCC3)s2)ccn1","InChI=1S/C21H23N5O2S/c1-14-10-16(4-5-23-14)25-21(27)18-11-15(12-24-20(18)22)19-3-2-17(29-19)13-26-6-8-28-9-7-26/h2-5,10-12H,6-9,13H2,1H3,(H2,22,24)(H,23,25,27)","KGMZRZBOGQECSK-UHFFFAOYSA-N",null,78,{"$nulls":4},7.5,"30.00 C"]
["D14137",16531,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209657","Cc1cc(NC(=O)c2cc(cnc2N)-c2cnn(Cc3ccccc3)c2)ccn1","InChI=1S/C22H20N6O/c1-15-9-19(7-8-24-15)27-22(29)20-10-17(11-25-21(20)23)18-12-26-28(14-18)13-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H2,23,25)(H,24,27,29)","CLVOFVSKXGTJMX-UHFFFAOYSA-N",null,330,{"$nulls":4},7.5,"30.00 C"]
["D14138",16779,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209654","Cc1cc(NC(=O)c2cc(cnc2N)-c2csc(CN3CCOCC3)c2)ccn1","InChI=1S/C21H23N5O2S/c1-14-8-17(2-3-23-14)25-21(27)19-10-15(11-24-20(19)22)16-9-18(29-13-16)12-26-4-6-28-7-5-26/h2-3,8-11,13H,4-7,12H2,1H3,(H2,22,24)(H,23,25,27)","RQMDUJAJDRLURS-UHFFFAOYSA-N",null,670,{"$nulls":4},7.5,"30.00 C"]
["D14139",32050,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM37289","Cc1cc(NC(=O)c2cc(on2)-c2cccs2)nn1Cc1ccc(Cl)cc1","InChI=1S/C19H15ClN4O2S/c1-12-9-18(22-24(12)11-13-4-6-14(20)7-5-13)21-19(25)15-10-16(26-23-15)17-3-2-8-27-17/h2-10H,11H2,1H3,(H,21,22,25)","YIDDHVXSPBHXFX-UHFFFAOYSA-N",null,">55700"]
["D14140",4609,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66558","Cc1cc(NC(=O)c2ccc3C(=O)N(Cc4ccccc4)C(=O)c3c2)no1","InChI=1S/C20H15N3O4/c1-12-9-17(22-27-12)21-18(24)14-7-8-15-16(10-14)20(26)23(19(15)25)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,21,22,24)","DHRIBOLCXJGVGV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14141",25741,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50470929","Cc1cc(NCCCCCCCCCCCCNc2cc(C)[n+](Cc3ccccc3)c3ccccc23)c2ccccc2[n+]1Cc1ccccc1","InChI=1S/C46H54N4/c1-37-33-43(41-27-17-19-29-45(41)49(37)35-39-23-13-11-14-24-39)47-31-21-9-7-5-3-4-6-8-10-22-32-48-44-34-38(2)50(36-40-25-15-12-16-26-40)46-30-20-18-28-42(44)46/h11-20,23-30,33-34H,3-10,21-22,31-32,35-36H2,1-2H3/p+2","VOTIKAACBPRPJE-UHFFFAOYSA-P",null,2400]
["D14142",25752,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50470926","Cc1cc(NCCCCCCCCCCCCNc2cc(C)[n+](Cc3ccccc3)c3ccccc23)c2ccccc2n1","InChI=1S/C39H48N4/c1-31-28-37(34-22-14-16-24-36(34)42-31)40-26-18-9-7-5-3-4-6-8-10-19-27-41-38-29-32(2)43(30-33-20-12-11-13-21-33)39-25-17-15-23-35(38)39/h11-17,20-25,28-29H,3-10,18-19,26-27,30H2,1-2H3,(H,40,42)/p+1","QFUVDMNFIQAVBO-UHFFFAOYSA-O",null,4400]
["D14143",25748,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50470936","Cc1cc(NCCCCCCCCCCCCNc2cc(C)nc3ccccc23)c2ccccc2n1","InChI=1S/C32H42N4/c1-25-23-31(27-17-11-13-19-29(27)35-25)33-21-15-9-7-5-3-4-6-8-10-16-22-34-32-24-26(2)36-30-20-14-12-18-28(30)32/h11-14,17-20,23-24H,3-10,15-16,21-22H2,1-2H3,(H,33,35)(H,34,36)","SZFFQURWWSGOFY-UHFFFAOYSA-N",null,3800]
["D14144",25751,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50470928","Cc1cc(NCCCCCCCCCCNc2cc(C)[n+](CCC(c3ccccc3)c3ccccc3)c3ccccc23)c2ccccc2[n+]1CCC(c1ccccc1)c1ccccc1","InChI=1S/C60H66N4/c1-47-45-57(55-35-21-23-37-59(55)63(47)43-39-53(49-27-13-9-14-28-49)50-29-15-10-16-30-50)61-41-25-7-5-3-4-6-8-26-42-62-58-46-48(2)64(60-38-24-22-36-56(58)60)44-40-54(51-31-17-11-18-32-51)52-33-19-12-20-34-52/h9-24,27-38,45-46,53-54H,3-8,25-26,39-44H2,1-2H3/p+2","VBXVVPNXOBLMIG-UHFFFAOYSA-P",null,4300]
["D14145",25716,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50470930","Cc1cc(NCCCCCCCCCCNc2cc(C)[n+](Cc3ccccc3)c3ccccc23)c2ccccc2[n+]1Cc1ccccc1","InChI=1S/C44H50N4/c1-35-31-41(39-25-15-17-27-43(39)47(35)33-37-21-11-9-12-22-37)45-29-19-7-5-3-4-6-8-20-30-46-42-32-36(2)48(34-38-23-13-10-14-24-38)44-28-18-16-26-40(42)44/h9-18,21-28,31-32H,3-8,19-20,29-30,33-34H2,1-2H3/p+2","FOGYKOMUXDBHPA-UHFFFAOYSA-P",null,400]
["D14146",25732,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50470941","Cc1cc(NCCCCCCCCCCNc2cc(C)[n+](Cc3ccccc3)c3ccccc23)c2ccccc2n1","InChI=1S/C37H44N4/c1-29-26-35(32-20-12-14-22-34(32)40-29)38-24-16-7-5-3-4-6-8-17-25-39-36-27-30(2)41(28-31-18-10-9-11-19-31)37-23-15-13-21-33(36)37/h9-15,18-23,26-27H,3-8,16-17,24-25,28H2,1-2H3,(H,38,40)/p+1","YJQGQNOJHGKGNA-UHFFFAOYSA-O",null,1300]
["D14147",25742,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM10447","Cc1cc(NCCCCCCCCCCNc2cc(C)nc3ccccc23)c2ccccc2n1","InChI=1S/C30H38N4/c1-23-21-29(25-15-9-11-17-27(25)33-23)31-19-13-7-5-3-4-6-8-14-20-32-30-22-24(2)34-28-18-12-10-16-26(28)30/h9-12,15-18,21-22H,3-8,13-14,19-20H2,1-2H3,(H,31,33)(H,32,34)","GZIJBIYIMDKOSA-UHFFFAOYSA-N",null,2500]
["D14148",15676,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144183","Cc1cc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)no1","InChI=1S/C21H20N4O3/c1-14-10-21(25-28-14)24-20-12-16(4-7-23-20)15-2-3-19(17(11-15)13-22)27-18-5-8-26-9-6-18/h2-4,7,10-12,18H,5-6,8-9H2,1H3,(H,23,24,25)","AWDVCHUEOUFQEL-UHFFFAOYSA-N",null,34,{"$nulls":4},7.5,"30.00 C"]
["D14149",3780,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM28814","Cc1cc(Nc2ccc(Cl)cc2)n2ncnc2n1","InChI=1S/C12H10ClN5/c1-8-6-11(18-12(16-8)14-7-15-18)17-10-4-2-9(13)3-5-10/h2-7,17H,1H3","AEPOWULWMUVCMK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14150",16500,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148094","Cc1cc(Nc2nccc(n2)-c2ccc(N3CCCC3)c(c2)C#N)on1","InChI=1S/C19H18N6O/c1-13-10-18(26-24-13)23-19-21-7-6-16(22-19)14-4-5-17(15(11-14)12-20)25-8-2-3-9-25/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,22,23)","OAVPIWRPMVOZMH-UHFFFAOYSA-N",null,"<300",{"$nulls":4},7.5]
["D14151",16420,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144143","Cc1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)no1","InChI=1S/C20H19N5O3/c1-13-10-19(25-28-13)24-20-22-7-4-17(23-20)14-2-3-18(15(11-14)12-21)27-16-5-8-26-9-6-16/h2-4,7,10-11,16H,5-6,8-9H2,1H3,(H,22,23,24,25)","IZDUBCLXNXGBOL-UHFFFAOYSA-N",null,230,{"$nulls":4},7.5,"30.00 C"]
["D14152",14484,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278310","Cc1cc(Nc2ncnc(n2)-c2ccc(O[C@@H]3CCC(=O)NC3)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C29H32N8O3/c1-19-12-22(3-5-25(19)37-10-8-36(9-11-37)23-16-39-17-23)34-29-33-18-32-28(35-29)20-2-6-26(21(13-20)14-30)40-24-4-7-27(38)31-15-24/h2-3,5-6,12-13,18,23-24H,4,7-11,15-17H2,1H3,(H,31,38)(H,32,33,34,35)/t24-/m1/s1","USCFDHISMFVVSX-XMMPIXPASA-N",null,3]
["D14153",14975,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278081","Cc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(CC3(F)F)C=O)c(c2)C#N)ccc1C1CCNCC1","InChI=1S/C28H29F2N7O2/c1-18-12-22(3-4-23(18)19-6-9-32-10-7-19)35-27-34-16-33-26(36-27)20-2-5-24(21(13-20)14-31)39-25-8-11-37(17-38)15-28(25,29)30/h2-5,12-13,16-17,19,25,32H,6-11,15H2,1H3,(H,33,34,35,36)/t25-/m0/s1","NHJSUXXVSUKAMS-VWLOTQADSA-N",null,1]
["D14154",17143,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278314","Cc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)C3CCC(=O)N3)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C34H38FN9O4/c1-21-14-24(3-5-28(21)43-12-10-42(11-13-43)25-18-47-19-25)39-34-38-20-37-32(41-34)22-2-6-29(23(15-22)16-36)48-30-8-9-44(17-26(30)35)33(46)27-4-7-31(45)40-27/h2-3,5-6,14-15,20,25-27,30H,4,7-13,17-19H2,1H3,(H,40,45)(H,37,38,39,41)/t26-,27?,30+/m1/s1","AKAUMDZLUOAWNI-XLCWFIMTSA-N",null,2000,{"$nulls":4},7]
["D14155",14607,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278311","Cc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CCO)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C32H37FN8O4/c1-21-14-24(3-4-27(21)40-11-9-39(10-12-40)25-18-44-19-25)37-32-36-20-35-31(38-32)22-2-5-28(23(15-22)16-34)45-29-6-8-41(17-26(29)33)30(43)7-13-42/h2-5,14-15,20,25-26,29,42H,6-13,17-19H2,1H3,(H,35,36,37,38)/t26-,29+/m1/s1","PCPBRLYUAFEISM-UHSQPCAPSA-N",null,4]
["D14156",16659,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278172","Cc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C31H35FN8O4/c1-20-12-23(3-4-26(20)39-10-8-38(9-11-39)24-17-43-18-24)36-31-35-19-34-30(37-31)21-2-5-27(22(13-21)14-33)44-28-6-7-40(15-25(28)32)29(42)16-41/h2-5,12-13,19,24-25,28,41H,6-11,15-18H2,1H3,(H,34,35,36,37)/t25-,28+/m1/s1","SQZMEALFOPIMFM-NAKRPHOHSA-N",null,2]
["D14157",16616,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278353","Cc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@@H](O)CO)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C32H37FN8O5/c1-20-12-23(3-4-26(20)40-10-8-39(9-11-40)24-17-45-18-24)37-32-36-19-35-30(38-32)21-2-5-28(22(13-21)14-34)46-29-6-7-41(15-25(29)33)31(44)27(43)16-42/h2-5,12-13,19,24-25,27,29,42-43H,6-11,15-18H2,1H3,(H,35,36,37,38)/t25-,27+,29+/m1/s1","ZUULQRGJBADZKY-WBJKNQCFSA-N",null,2]
["D14158",17137,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278291","Cc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@@H](O)CO)c(c2)C#N)cnc1N1CCN(CC1)C1COC1","InChI=1S/C31H36FN9O5/c1-19-10-22(13-34-29(19)40-8-6-39(7-9-40)23-16-45-17-23)37-31-36-18-35-28(38-31)20-2-3-26(21(11-20)12-33)46-27-4-5-41(14-24(27)32)30(44)25(43)15-42/h2-3,10-11,13,18,23-25,27,42-43H,4-9,14-17H2,1H3,(H,35,36,37,38)/t24-,25+,27+/m1/s1","SDJZXXAGAUAGTD-OBDYRVMHSA-N",null,2000,{"$nulls":4},7]
["D14159",16617,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278354","Cc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)[C@H](O)CO)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C32H37FN8O5/c1-20-12-23(3-4-26(20)40-10-8-39(9-11-40)24-17-45-18-24)37-32-36-19-35-30(38-32)21-2-5-28(22(13-21)14-34)46-29-6-7-41(15-25(29)33)31(44)27(43)16-42/h2-5,12-13,19,24-25,27,29,42-43H,6-11,15-18H2,1H3,(H,35,36,37,38)/t25-,27-,29+/m1/s1","ZUULQRGJBADZKY-NLFWHDTNSA-N",null,2]
["D14160",14655,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM375573","Cc1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCOC[C@H]3F)c(c2)C#N)ccc1N1CCNCC1","InChI=1S/C26H28FN7O2/c1-17-12-20(3-4-22(17)34-9-7-29-8-10-34)32-26-31-16-30-25(33-26)18-2-5-23(19(13-18)14-28)36-24-6-11-35-15-21(24)27/h2-5,12-13,16,21,24,29H,6-11,15H2,1H3,(H,30,31,32,33)/t21-,24+/m1/s1","NLFDTXDESRPTDL-QPPBQGQZSA-N",null,4]
["D14161",25453,"7e88_L",0.3,"Spike protein S1","DNA polymerase kappa","Homo sapiens","BDBM50379294","Cc1cc(O)cc(O)c1C(=O)O[C@H]1[C@@H]2COC(\\C=C\\CO)=CC2=CC(=O)[C@@]1(C)O","InChI=1S/C21H22O8/c1-11-6-13(23)9-16(24)18(11)20(26)29-19-15-10-28-14(4-3-5-22)7-12(15)8-17(25)21(19,2)27/h3-4,6-9,15,19,22-24,27H,5,10H2,1-2H3/b4-3+/t15-,19+,21-/m1/s1","KKSKNERURMTALE-XWEVTOJWSA-N",null,88900]
["D14162",12376,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42904","Cc1cc(OCC(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)ccc1Cl","InChI=1S/C21H16ClN3O3/c1-13-10-16(3-4-17(13)22)27-12-20(26)24-15-2-5-19-18(11-15)25-21(28-19)14-6-8-23-9-7-14/h2-11H,12H2,1H3,(H,24,26)","AOJXJQCEZQFXHP-UHFFFAOYSA-N",{"$nulls":3},50570]
["D14163",32084,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46370","Cc1cc(OCC(=O)Nc2ccncc2)cc(C)c1Br","InChI=1S/C15H15BrN2O2/c1-10-7-13(8-11(2)15(10)16)20-9-14(19)18-12-3-5-17-6-4-12/h3-8H,9H2,1-2H3,(H,17,18,19)","IIBZTYUIHARCEJ-UHFFFAOYSA-N",null,">55700"]
["D14164",32068,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46354","Cc1cc(OCC(=O)Nc2ccncc2)ccc1Br","InChI=1S/C14H13BrN2O2/c1-10-8-12(2-3-13(10)15)19-9-14(18)17-11-4-6-16-7-5-11/h2-8H,9H2,1H3,(H,16,17,18)","YYOZBJVGXCNIDH-UHFFFAOYSA-N",null,">55700"]
["D14165",4715,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66644","Cc1cc(Oc2ccc(=O)[nH]n2)nc(Cl)n1","InChI=1S/C9H7ClN4O2/c1-5-4-8(12-9(10)11-5)16-7-3-2-6(15)13-14-7/h2-4H,1H3,(H,13,15)","BZHXUGRXCUJKMJ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14166",26031,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","L-type calcium channel alpha-1c/beta-2/alpha2delta-1","Homo sapiens","BDBM50257064","Cc1cc(Oc2cncnc2)cc(n1)C(=O)Nc1ccc(F)cn1","InChI=1S/C16H12FN5O2/c1-10-4-12(24-13-7-18-9-19-8-13)5-14(21-10)16(23)22-15-3-2-11(17)6-20-15/h2-9H,1H3,(H,20,22,23)","RBAHIIPVJVMACF-UHFFFAOYSA-N",null,">100000"]
["D14167",4584,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM65325","Cc1cc(Sc2ncnc(N)c2[N+]([O-])=O)ncn1","InChI=1S/C9H8N6O2S/c1-5-2-6(12-3-11-5)18-9-7(15(16)17)8(10)13-4-14-9/h2-4H,1H3,(H2,10,13,14)","CRZKXAVOSBDDBX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14168",17328,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278099","Cc1cc([nH]n1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1",{"$nulls":3},3000,{"$nulls":4},7]
["D14169",3873,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66795","Cc1cc(\\C=C(\\C#N)C(O)=O)c(C)n1-c1cccc2ccccc12","InChI=1S/C20H16N2O2/c1-13-10-16(11-17(12-21)20(23)24)14(2)22(13)19-9-5-7-15-6-3-4-8-18(15)19/h3-11H,1-2H3,(H,23,24)/b17-11-","WOQDKUQIEVTMTC-BOPFTXTBSA-N",{"$nulls":3},">350000"]
["D14170",12209,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM63204","Cc1cc(\\C=C2/Cc3ccccc3C2=O)c(C)n1-c1ccccc1","InChI=1S/C22H19NO/c1-15-12-18(16(2)23(15)20-9-4-3-5-10-20)14-19-13-17-8-6-7-11-21(17)22(19)24/h3-12,14H,13H2,1-2H3/b19-14+","CHHFIFGOWAXRHN-XMHGGMMESA-N",null,8762]
["D14171",11960,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43093","Cc1cc(\\C=C2\\NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1C","InChI=1S/C18H18FN3O2/c1-11-8-14(12(2)21(11)3)9-16-17(23)22(18(24)20-16)10-13-6-4-5-7-15(13)19/h4-9H,10H2,1-3H3,(H,20,24)/b16-9+","IWAMMWLYHGEREJ-CXUHLZMHSA-N",{"$nulls":3},">79370"]
["D14172",11777,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM75541","Cc1cc(c(C)n1-c1ccccc1)-c1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)o1","InChI=1S/C23H19F3N4O2S/c1-14-12-17(15(2)30(14)16-8-4-3-5-9-16)21-28-29-22(32-21)33-13-20(31)27-19-11-7-6-10-18(19)23(24,25)26/h3-12H,13H2,1-2H3,(H,27,31)","GYWXAGRGWCMKNF-UHFFFAOYSA-N",null,">1331"]
["D14173",15650,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478748","Cc1cc(c(F)cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C27H28FN7O/c1-17-12-21(22(28)15-30-17)20-4-5-23-24(14-20)32-27(31-23)33-25-13-18(6-7-29-25)16-34-8-10-35(11-9-34)26(36)19-2-3-19/h4-7,12-15,19H,2-3,8-11,16H2,1H3,(H2,29,31,32,33)","LJRIJGOQAAOXCR-UHFFFAOYSA-N",null,32]
["D14174",15870,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478747","Cc1cc(c(F)cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C26H25F4N7O/c1-16-10-19(20(27)14-32-16)18-2-3-21-22(12-18)34-25(33-21)35-23-11-17(4-5-31-23)15-36-6-8-37(9-7-36)24(38)13-26(28,29)30/h2-5,10-12,14H,6-9,13,15H2,1H3,(H2,31,33,34,35)","BFUBDQDIRBQSQD-UHFFFAOYSA-N",null,62]
["D14175",16290,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478746","Cc1cc(c(F)cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C28H32FN7O2/c1-18-13-21(22(29)16-31-18)20-5-6-23-24(15-20)33-26(32-23)34-25-14-19(7-8-30-25)17-35-9-11-36(12-10-35)27(37)38-28(2,3)4/h5-8,13-16H,9-12,17H2,1-4H3,(H2,30,32,33,34)","ISUGVHWIKJNOPQ-UHFFFAOYSA-N",null,140]
["D14176",15193,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278300","Cc1cc(cc(C#N)c1O[C@H]1CCN(C[C@H]1F)C(=O)CO)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C31H35FN8O4/c1-20-12-21(13-22(14-33)29(20)44-27-6-7-40(15-26(27)32)28(42)16-41)30-34-19-35-31(37-30)36-23-2-4-24(5-3-23)38-8-10-39(11-9-38)25-17-43-18-25/h2-5,12-13,19,25-27,41H,6-11,15-18H2,1H3,(H,34,35,36,37)/t26-,27+/m1/s1","HFRMZMHFJXEEKM-SXOMAYOGSA-N",null,14]
["D14177",4954,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM196914","Cc1cc(cc(C)c1OCC(O)=O)C(O)P(O)(=O)CC[C@@H](N)C(O)=O","InChI=1S/C15H22NO8P/c1-8-5-10(6-9(2)13(8)24-7-12(17)18)15(21)25(22,23)4-3-11(16)14(19)20/h5-6,11,15,21H,3-4,7,16H2,1-2H3,(H,17,18)(H,19,20)(H,22,23)/t11-,15?/m1/s1","HECCCCVGDLWFAY-ZRKZCGFPSA-N",{"$nulls":3},51600]
["D14178",16791,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478682","Cc1cc(cc(C)n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C28H31N7O/c1-18-13-23(14-19(2)30-18)22-5-6-24-25(16-22)32-28(31-24)33-26-15-20(7-8-29-26)17-34-9-11-35(12-10-34)27(36)21-3-4-21/h5-8,13-16,21H,3-4,9-12,17H2,1-2H3,(H2,29,31,32,33)","LIHNXSMEMBSARW-UHFFFAOYSA-N",null,710]
["D14179",15378,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478762","Cc1cc(cc(n1)C#N)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C28H28N8O/c1-18-12-22(14-23(16-29)31-18)21-4-5-24-25(15-21)33-28(32-24)34-26-13-19(6-7-30-26)17-35-8-10-36(11-9-35)27(37)20-2-3-20/h4-7,12-15,20H,2-3,8-11,17H2,1H3,(H2,30,32,33,34)","ZQKBBDJWPQCWJU-UHFFFAOYSA-N",null,21]
["D14180",15718,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478761","Cc1cc(cc(n1)C#N)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C27H25F3N8O/c1-17-10-20(12-21(15-31)33-17)19-2-3-22-23(13-19)35-26(34-22)36-24-11-18(4-5-32-24)16-37-6-8-38(9-7-37)25(39)14-27(28,29)30/h2-5,10-13H,6-9,14,16H2,1H3,(H2,32,34,35,36)","ZDILEVCXTHTKLC-UHFFFAOYSA-N",null,38]
["D14181",15828,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478760","Cc1cc(cc(n1)C#N)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C29H32N8O2/c1-19-13-22(15-23(17-30)32-19)21-5-6-24-25(16-21)34-27(33-24)35-26-14-20(7-8-31-26)18-36-9-11-37(12-10-36)28(38)39-29(2,3)4/h5-8,13-16H,9-12,18H2,1-4H3,(H2,31,33,34,35)","GOGZLYUGBSPJMY-UHFFFAOYSA-N",null,53]
["D14182",17938,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569922","Cc1cc(ccc1-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12)C#N",{"$nulls":3},">20000"]
["D14183",14781,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276948","Cc1cc(ccc1-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N)N1CCOCC1","InChI=1S/C30H30N4O3/c1-20-16-23(34-10-14-36-15-11-34)3-4-25(20)28-18-27-26(6-9-32-30(27)33-28)21-2-5-29(22(17-21)19-31)37-24-7-12-35-13-8-24/h2-6,9,16-18,24H,7-8,10-15H2,1H3,(H,32,33)","PERZEHQGYVAHOZ-UHFFFAOYSA-N",null,5.9]
["D14184",15532,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276945","Cc1cc(ccc1-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C(=O)CO)c(c1)C#N)N1CCOCC1","InChI=1S/C31H32N6O4/c1-20-14-23(36-10-12-40-13-11-36)3-4-25(20)27-16-26-30(33-19-34-31(26)35-27)21-2-5-28(22(15-21)17-32)41-24-6-8-37(9-7-24)29(39)18-38/h2-5,14-16,19,24,38H,6-13,18H2,1H3,(H,33,34,35)","WKOPXZJZJXUFCH-UHFFFAOYSA-N",null,1.28]
["D14185",15398,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276944","Cc1cc(ccc1-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCNCC2)c(c1)C#N)N1CCOCC1","InChI=1S/C29H30N6O2/c1-19-14-22(35-10-12-36-13-11-35)3-4-24(19)26-16-25-28(32-18-33-29(25)34-26)20-2-5-27(21(15-20)17-30)37-23-6-8-31-9-7-23/h2-5,14-16,18,23,31H,6-13H2,1H3,(H,32,33,34)","IHPBCWXBUXLKAX-UHFFFAOYSA-N",null,22.2]
["D14186",17939,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569923","Cc1cc(ccc1C#N)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D14187",4634,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66580","Cc1cc(ccc1F)S(=O)(=O)N1CCCOC1CNC(=O)C(=O)NCc1ccco1","InChI=1S/C19H22FN3O6S/c1-13-10-15(5-6-16(13)20)30(26,27)23-7-3-9-29-17(23)12-22-19(25)18(24)21-11-14-4-2-8-28-14/h2,4-6,8,10,17H,3,7,9,11-12H2,1H3,(H,21,24)(H,22,25)","SZZDUYJMHPVCHO-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14188",16496,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148087","Cc1cc(ccc1Nc1nccc(n1)-c1ccc(N2CCCC2)c(c1)C#N)C(N)=O","InChI=1S/C23H22N6O/c1-15-12-17(22(25)30)4-6-19(15)27-23-26-9-8-20(28-23)16-5-7-21(18(13-16)14-24)29-10-2-3-11-29/h4-9,12-13H,2-3,10-11H2,1H3,(H2,25,30)(H,26,27,28)","YCRIAEHEZQPJPG-UHFFFAOYSA-N",null,"<300",{"$nulls":4},7.5]
["D14189",15932,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277887","Cc1cc(ccc1Nc1ncnc(n1)-c1ccc(OC2CCOCC2)c(c1)C#N)N1CCOCC1","InChI=1S/C26H28N6O3/c1-18-14-21(32-8-12-34-13-9-32)3-4-23(18)30-26-29-17-28-25(31-26)19-2-5-24(20(15-19)16-27)35-22-6-10-33-11-7-22/h2-5,14-15,17,22H,6-13H2,1H3,(H,28,29,30,31)","JODDBCNNYDJFJQ-UHFFFAOYSA-N",null,76]
["D14190",15750,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478280","Cc1cc(ccn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C27H29N7O/c1-18-14-22(7-9-28-18)21-4-5-23-24(16-21)31-27(30-23)32-25-15-19(6-8-29-25)17-33-10-12-34(13-11-33)26(35)20-2-3-20/h4-9,14-16,20H,2-3,10-13,17H2,1H3,(H2,29,30,31,32)","QROJBURZXKGHOB-UHFFFAOYSA-N",null,42]
["D14191",15919,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478283","Cc1cc(ccn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CCC4)ccn3)[nH]c2c1","InChI=1S/C28H31N7O/c1-19-15-23(8-10-29-19)22-5-6-24-25(17-22)32-28(31-24)33-26-16-20(7-9-30-26)18-34-11-13-35(14-12-34)27(36)21-3-2-4-21/h5-10,15-17,21H,2-4,11-14,18H2,1H3,(H2,30,31,32,33)","AVPMGDFDGSRXAX-UHFFFAOYSA-N",null,70.9]
["D14192",15829,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50520160","Cc1cc(ccn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C26H26F3N7O/c1-17-12-20(5-7-30-17)19-2-3-21-22(14-19)33-25(32-21)34-23-13-18(4-6-31-23)16-35-8-10-36(11-9-35)24(37)15-26(27,28)29/h2-7,12-14H,8-11,15-16H2,1H3,(H2,31,32,33,34)","SINJOIVMLYFADD-UHFFFAOYSA-N",null,53.5]
["D14193",15841,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478282","Cc1cc(ccn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC4CC4)ccn3)[nH]c2c1","InChI=1S/C28H31N7O/c1-19-14-23(7-9-29-19)22-4-5-24-25(17-22)32-28(31-24)33-26-15-21(6-8-30-26)18-34-10-12-35(13-11-34)27(36)16-20-2-3-20/h4-9,14-15,17,20H,2-3,10-13,16,18H2,1H3,(H2,30,31,32,33)","KQFXVRTWUSRHAT-UHFFFAOYSA-N",null,55.5]
["D14194",16310,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478158","Cc1cc(ccn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C28H33N7O2/c1-19-15-22(8-10-29-19)21-5-6-23-24(17-21)32-26(31-23)33-25-16-20(7-9-30-25)18-34-11-13-35(14-12-34)27(36)37-28(2,3)4/h5-10,15-17H,11-14,18H2,1-4H3,(H2,30,31,32,33)","XHXVJRVXEDRQBT-UHFFFAOYSA-N",null,150]
["D14195",17660,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570030","Cc1cc(cnn1)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(F)(CO)CO4)cc3F)c12",{"$nulls":3},10600]
["D14196",17866,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569847","Cc1cc(cs1)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D14197",11980,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43113","Cc1cc(cs1)C(=O)NN=Cc1c[nH]nc1-c1ccccc1","InChI=1S/C16H14N4OS/c1-11-7-13(10-22-11)16(21)20-18-9-14-8-17-19-15(14)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,19)(H,20,21)","UOTDGIYRXCMGMG-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14198",4418,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66335","Cc1cc(n(n1)-c1nc(cs1)-c1nnc(SCc2ccc(F)cc2)n1CC=C)C(F)(F)F","InChI=1S/C20H16F4N6S2/c1-3-8-29-17(26-27-19(29)31-10-13-4-6-14(21)7-5-13)15-11-32-18(25-15)30-16(20(22,23)24)9-12(2)28-30/h3-7,9,11H,1,8,10H2,2H3","IDFWCOJJUOSFLV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14199",4621,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66568","Cc1cc(n2ncc(-c3cccc(Br)c3)c2n1)C(F)(F)F","InChI=1S/C14H9BrF3N3/c1-8-5-12(14(16,17)18)21-13(20-8)11(7-19-21)9-3-2-4-10(15)6-9/h2-7H,1H3","LRYSCBANZWYFMN-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14200",15937,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478437","Cc1cc(nc(C)n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C27H30N8O/c1-17-13-23(30-18(2)29-17)21-5-6-22-24(15-21)32-27(31-22)33-25-14-19(7-8-28-25)16-34-9-11-35(12-10-34)26(36)20-3-4-20/h5-8,13-15,20H,3-4,9-12,16H2,1-2H3,(H2,28,31,32,33)","SVCDIKHYIIMXFS-UHFFFAOYSA-N",null,77]
["D14201",15970,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478436","Cc1cc(nc(C)n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C26H27F3N8O/c1-16-11-21(32-17(2)31-16)19-3-4-20-22(13-19)34-25(33-20)35-23-12-18(5-6-30-23)15-36-7-9-37(10-8-36)24(38)14-26(27,28)29/h3-6,11-13H,7-10,14-15H2,1-2H3,(H2,30,33,34,35)","ICWNOUUDWIZSGK-UHFFFAOYSA-N",null,86.8]
["D14202",4217,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM33489","Cc1cc(nc(n1)-c1ccccc1)N1CCN(CC1)c1ccccc1","InChI=1S/C21H22N4/c1-17-16-20(23-21(22-17)18-8-4-2-5-9-18)25-14-12-24(13-15-25)19-10-6-3-7-11-19/h2-11,16H,12-15H2,1H3","OGEGHNXZKVBMSM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14203",15143,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478425","Cc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C26H28N8O/c1-17-12-22(29-16-28-17)20-4-5-21-23(14-20)31-26(30-21)32-24-13-18(6-7-27-24)15-33-8-10-34(11-9-33)25(35)19-2-3-19/h4-7,12-14,16,19H,2-3,8-11,15H2,1H3,(H2,27,30,31,32)","KCTRQKDEAQUDSI-UHFFFAOYSA-N",null,12.3]
["D14204",15329,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478423","Cc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CCC4)ccn3)[nH]c2c1","InChI=1S/C27H30N8O/c1-18-13-23(30-17-29-18)21-5-6-22-24(15-21)32-27(31-22)33-25-14-19(7-8-28-25)16-34-9-11-35(12-10-34)26(36)20-3-2-4-20/h5-8,13-15,17,20H,2-4,9-12,16H2,1H3,(H2,28,31,32,33)","JHJSBDRILRLRGN-UHFFFAOYSA-N",null,18.5]
["D14205",15253,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50520155","Cc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C25H25F3N8O/c1-16-10-20(31-15-30-16)18-2-3-19-21(12-18)33-24(32-19)34-22-11-17(4-5-29-22)14-35-6-8-36(9-7-35)23(37)13-25(26,27)28/h2-5,10-12,15H,6-9,13-14H2,1H3,(H2,29,32,33,34)","BTIIUKSFWMYFNV-UHFFFAOYSA-N",null,15]
["D14206",15298,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478424","Cc1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC4CC4)ccn3)[nH]c2c1","InChI=1S/C27H30N8O/c1-18-12-23(30-17-29-18)21-4-5-22-24(15-21)32-27(31-22)33-25-13-20(6-7-28-25)16-34-8-10-35(11-9-34)26(36)14-19-2-3-19/h4-7,12-13,15,17,19H,2-3,8-11,14,16H2,1H3,(H2,28,31,32,33)","MWHURTJLPILHTG-UHFFFAOYSA-N",null,16.9]
["D14207",4735,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66659","Cc1cc(no1)-c1onc(C)c1C(=O)Nc1ccc(cc1)C(F)(F)F","InChI=1S/C16H12F3N3O3/c1-8-7-12(22-24-8)14-13(9(2)21-25-14)15(23)20-11-5-3-10(4-6-11)16(17,18)19/h3-7H,1-2H3,(H,20,23)","NQUFLAXAPDKKJB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14208",4008,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66207","Cc1cc(no1)N1C(C(C(=O)c2cc3ccccc3o2)C(=O)C1=O)c1ccc(Br)cc1","InChI=1S/C23H15BrN2O5/c1-12-10-18(25-31-12)26-20(13-6-8-15(24)9-7-13)19(22(28)23(26)29)21(27)17-11-14-4-2-3-5-16(14)30-17/h2-11,19-20H,1H3","FDGSEFGKZDCADF-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14209",3913,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66829","Cc1cc(on1)C(=O)N1CCN(CC1)c1ccc(F)cc1","InChI=1S/C15H16FN3O2/c1-11-10-14(21-17-11)15(20)19-8-6-18(7-9-19)13-4-2-12(16)3-5-13/h2-5,10H,6-9H2,1H3","KKSFJTWXXCTUCC-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14210",3839,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66765","Cc1cc2c(NC(=O)C22OCCO2)c(Br)c1","InChI=1S/C11H10BrNO3/c1-6-4-7-9(8(12)5-6)13-10(14)11(7)15-2-3-16-11/h4-5H,2-3H2,1H3,(H,13,14)","MMUIDJKEDMWJIE-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14211",31948,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50103644","Cc1cc2nc(Nc3nc(=O)c(C)c(C)[nH]3)nc(C)c2cc1C","InChI=1S/C17H19N5O/c1-8-6-13-12(5)19-16(20-14(13)7-9(8)2)22-17-18-11(4)10(3)15(23)21-17/h6-7H,1-5H3,(H2,18,19,20,21,22,23)","RSRFPGRMZHUKON-UHFFFAOYSA-N",null,">50000"]
["D14212",12256,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87307","Cc1cc2nccc(-c3ccncc3)n2n1","InChI=1S/C12H10N4/c1-9-8-12-14-7-4-11(16(12)15-9)10-2-5-13-6-3-10/h2-8H,1H3","MSXYVHOQERUNSG-UHFFFAOYSA-N",null,14118]
["D14213",32020,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67128","Cc1cc2oc(=O)cc(CSc3nc4ccccc4c(=O)[nH]3)c2cc1Cl","InChI=1S/C19H13ClN2O3S/c1-10-6-16-13(8-14(10)20)11(7-17(23)25-16)9-26-19-21-15-5-3-2-4-12(15)18(24)22-19/h2-8H,9H2,1H3,(H,21,22,24)","KYMXOILAAPBFKE-UHFFFAOYSA-N",null,">55690"]
["D14214",25767,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50470384","Cc1cc[n+](CCCCCCCCCC[n+]2ccc(C)c3ccccc23)c2ccccc12","InChI=1S/C30H38N2/c1-25-19-23-31(29-17-11-9-15-27(25)29)21-13-7-5-3-4-6-8-14-22-32-24-20-26(2)28-16-10-12-18-30(28)32/h9-12,15-20,23-24H,3-8,13-14,21-22H2,1-2H3/q+2","IRBYZNYPPLXOPE-UHFFFAOYSA-N",null,14500]
["D14215",12016,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43147","Cc1ccc(-c2ccc(\\C=C(/C#N)C(N)=S)o2)c(c1)[N+]([O-])=O","InChI=1S/C15H11N3O3S/c1-9-2-4-12(13(6-9)18(19)20)14-5-3-11(21-14)7-10(8-16)15(17)22/h2-7H,1H3,(H2,17,22)/b10-7+","WNFFLNGHQAIDAE-JXMROGBWSA-N",{"$nulls":3},">79370"]
["D14216",4552,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66506","Cc1ccc(C#N)c(SCC(=O)Nc2nccs2)n1","InChI=1S/C12H10N4OS2/c1-8-2-3-9(6-13)11(15-8)19-7-10(17)16-12-14-4-5-18-12/h2-5H,7H2,1H3,(H,14,16,17)","YTTUOCXSEPPONX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14217",12315,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM67646","Cc1ccc(C(=O)ON=C(N)c2ccccn2)c(Cl)c1","InChI=1S/C14H12ClN3O2/c1-9-5-6-10(11(15)8-9)14(19)20-18-13(16)12-4-2-3-7-17-12/h2-8H,1H3,(H2,16,18)","BVJVZKQFDVHEOM-UHFFFAOYSA-N",null,">35869"]
["D14218",25992,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481464","Cc1ccc(C(N2CCN(CC(=O)N(c3ccccc3)c3ccccc3)CC2)c2ccccc2)c(C)c1","InChI=1S/C33H35N3O/c1-26-18-19-31(27(2)24-26)33(28-12-6-3-7-13-28)35-22-20-34(21-23-35)25-32(37)36(29-14-8-4-9-15-29)30-16-10-5-11-17-30/h3-19,24,33H,20-23,25H2,1-2H3","RWSPYBHNSGQITH-UHFFFAOYSA-N",null,1250]
["D14219",25966,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481458","Cc1ccc(C(N2CCN(CC2)C(=O)CC(c2ccccc2)c2ccccc2)c2ccccc2)c(C)c1","InChI=1S/C34H36N2O/c1-26-18-19-31(27(2)24-26)34(30-16-10-5-11-17-30)36-22-20-35(21-23-36)33(37)25-32(28-12-6-3-7-13-28)29-14-8-4-9-15-29/h3-19,24,32,34H,20-23,25H2,1-2H3","PSEHTODILBVIHC-UHFFFAOYSA-N",null,230]
["D14220",25971,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481450","Cc1ccc(C(N2CCN(CC2)C(=O)CN(c2ccccc2)c2ccccc2)c2ccccc2)c(C)c1","InChI=1S/C33H35N3O/c1-26-18-19-31(27(2)24-26)33(28-12-6-3-7-13-28)35-22-20-34(21-23-35)32(37)25-36(29-14-8-4-9-15-29)30-16-10-5-11-17-30/h3-19,24,33H,20-23,25H2,1-2H3","DKVOGZPCCPBBPU-UHFFFAOYSA-N",null,260]
["D14221",26004,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481494","Cc1ccc(C(N2CCN(CC2)C(=O)NC(c2ccccc2)c2ccccc2)c2ccccc2)c(C)c1","InChI=1S/C33H35N3O/c1-25-18-19-30(26(2)24-25)32(29-16-10-5-11-17-29)35-20-22-36(23-21-35)33(37)34-31(27-12-6-3-7-13-27)28-14-8-4-9-15-28/h3-19,24,31-32H,20-23H2,1-2H3,(H,34,37)","QVLIXEZADCIAGA-UHFFFAOYSA-N",null,2710]
["D14222",4321,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM56541","Cc1ccc(C)c(NC(=O)C(=C\\c2cn(CC(=O)NCc3ccco3)c3ccccc23)\\C#N)c1","InChI=1S/C27H24N4O3/c1-18-9-10-19(2)24(12-18)30-27(33)20(14-28)13-21-16-31(25-8-4-3-7-23(21)25)17-26(32)29-15-22-6-5-11-34-22/h3-13,16H,15,17H2,1-2H3,(H,29,32)(H,30,33)/b20-13+","NGBVGMMLMUIRFC-DEDYPNTBSA-N",{"$nulls":3},269100]
["D14223",32009,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67116","Cc1ccc(C)c(NC(=O)C(N2CCN(CC2)S(=O)(=O)c2ccccc2C#N)c2ccccc2)c1","InChI=1S/C27H28N4O3S/c1-20-12-13-21(2)24(18-20)29-27(32)26(22-8-4-3-5-9-22)30-14-16-31(17-15-30)35(33,34)25-11-7-6-10-23(25)19-28/h3-13,18,26H,14-17H2,1-2H3,(H,29,32)","OGIHIJCWVBFJHA-UHFFFAOYSA-N",null,">55690"]
["D14224",4098,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66985","Cc1ccc(C)c(NC(=O)COC(=O)c2cc3ccccc3oc2=O)c1","InChI=1S/C20H17NO5/c1-12-7-8-13(2)16(9-12)21-18(22)11-25-19(23)15-10-14-5-3-4-6-17(14)26-20(15)24/h3-10H,11H2,1-2H3,(H,21,22)","TVLIMDOXMPEQRH-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14225",11780,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM4666","Cc1ccc(C)c(NC(=O)c2ccccc2NS(=O)(=O)c2cc(ccc2C)[N+]([O-])=O)c1","InChI=1S/C22H21N3O5S/c1-14-8-9-15(2)20(12-14)23-22(26)18-6-4-5-7-19(18)24-31(29,30)21-13-17(25(27)28)11-10-16(21)3/h4-13,24H,1-3H3,(H,23,26)","MENIIXYXSODVSN-UHFFFAOYSA-N",null,1444]
["D14226",3738,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM39730","Cc1ccc(C)c(NC(=S)NC(NC(=O)Cc2cccc3ccccc23)C(Cl)(Cl)Cl)c1","InChI=1S/C23H22Cl3N3OS/c1-14-10-11-15(2)19(12-14)27-22(31)29-21(23(24,25)26)28-20(30)13-17-8-5-7-16-6-3-4-9-18(16)17/h3-12,21H,13H2,1-2H3,(H,28,30)(H2,27,29,31)","CAUFRMPZPMZEQG-UHFFFAOYSA-N",{"$nulls":3},5842]
["D14227",3576,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565032","Cc1ccc(C)c(c1)C1CCc2c(C1)cnn(-c1ncccn1)c2=O","InChI=1S/C20H20N4O/c1-13-4-5-14(2)18(10-13)15-6-7-17-16(11-15)12-23-24(19(17)25)20-21-8-3-9-22-20/h3-5,8-10,12,15H,6-7,11H2,1-2H3","KIZSRIYKDONQFF-UHFFFAOYSA-N",null,750]
["D14228",31997,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67102","Cc1ccc(C)c(c1)S(=O)(=O)N1CCN(CC1)C(C(=O)Nc1ccc(F)cc1)c1ccccc1","InChI=1S/C26H28FN3O3S/c1-19-8-9-20(2)24(18-19)34(32,33)30-16-14-29(15-17-30)25(21-6-4-3-5-7-21)26(31)28-23-12-10-22(27)11-13-23/h3-13,18,25H,14-17H2,1-2H3,(H,28,31)","RQCNIXKYPMXHGD-UHFFFAOYSA-N",null,">55690"]
["D14229",3541,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564960","Cc1ccc(C2CCc3c(C2)cnn(-c2cc(Cl)ccn2)c3=O)c(C)c1","InChI=1S/C21H20ClN3O/c1-13-3-5-18(14(2)9-13)15-4-6-19-16(10-15)12-24-25(21(19)26)20-11-17(22)7-8-23-20/h3,5,7-9,11-12,15H,4,6,10H2,1-2H3","BUQZTPFEKJLNJP-UHFFFAOYSA-N",null,"<500"]
["D14230",3545,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564964","Cc1ccc(C2CCc3c(C2)cnn(-c2cc(F)ccn2)c3=O)c(C)c1","InChI=1S/C21H20FN3O/c1-13-3-5-18(14(2)9-13)15-4-6-19-16(10-15)12-24-25(21(19)26)20-11-17(22)7-8-23-20/h3,5,7-9,11-12,15H,4,6,10H2,1-2H3","OITOPCIXIGBNDS-UHFFFAOYSA-N",null,"<500"]
["D14231",3560,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564979","Cc1ccc(C2CCc3c(C2)cnn(-c2cc(O)ccn2)c3=O)c(C)c1","InChI=1S/C21H21N3O2/c1-13-3-5-18(14(2)9-13)15-4-6-19-16(10-15)12-23-24(21(19)26)20-11-17(25)7-8-22-20/h3,5,7-9,11-12,15H,4,6,10H2,1-2H3,(H,22,25)","GZMARWNENZABFP-UHFFFAOYSA-N",null,"<500"]
["D14232",3557,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564976","Cc1ccc(C2CCc3c(C2)cnn(-c2cc(ccn2)C#N)c3=O)c(C)c1","InChI=1S/C22H20N4O/c1-14-3-5-19(15(2)9-14)17-4-6-20-18(11-17)13-25-26(22(20)27)21-10-16(12-23)7-8-24-21/h3,5,7-10,13,17H,4,6,11H2,1-2H3","HGLAFFDUGRUAJF-UHFFFAOYSA-N",null,"<500"]
["D14233",3540,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564959","Cc1ccc(C2CCc3c(C2)cnn(-c2ccc(Cl)cn2)c3=O)c(C)c1","InChI=1S/C21H20ClN3O/c1-13-3-6-18(14(2)9-13)15-4-7-19-16(10-15)11-24-25(21(19)26)20-8-5-17(22)12-23-20/h3,5-6,8-9,11-12,15H,4,7,10H2,1-2H3","UIZOZUHCQDVUPG-UHFFFAOYSA-N",null,"<500"]
["D14234",3544,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564963","Cc1ccc(C2CCc3c(C2)cnn(-c2ccc(F)cn2)c3=O)c(C)c1","InChI=1S/C21H20FN3O/c1-13-3-6-18(14(2)9-13)15-4-7-19-16(10-15)11-24-25(21(19)26)20-8-5-17(22)12-23-20/h3,5-6,8-9,11-12,15H,4,7,10H2,1-2H3","RMRPGLUQTRQHOU-UHFFFAOYSA-N",null,"<500"]
["D14235",3559,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564978","Cc1ccc(C2CCc3c(C2)cnn(-c2ccc(O)cn2)c3=O)c(C)c1","InChI=1S/C21H21N3O2/c1-13-3-6-18(14(2)9-13)15-4-7-19-16(10-15)11-23-24(21(19)26)20-8-5-17(25)12-22-20/h3,5-6,8-9,11-12,15,25H,4,7,10H2,1-2H3","MIVXAZOUSQGALQ-UHFFFAOYSA-N",null,"<500"]
["D14236",3556,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564975","Cc1ccc(C2CCc3c(C2)cnn(-c2ccc(cn2)C#N)c3=O)c(C)c1","InChI=1S/C22H20N4O/c1-14-3-6-19(15(2)9-14)17-5-7-20-18(10-17)13-25-26(22(20)27)21-8-4-16(11-23)12-24-21/h3-4,6,8-9,12-13,17H,5,7,10H2,1-2H3","YMEXMRLFVIIYEP-UHFFFAOYSA-N",null,"<500"]
["D14237",3515,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565059","Cc1ccc(C2CCc3c(C2)cnn(-c2ccc(cn2)C2CC2)c3=O)c(C)c1","InChI=1S/C24H25N3O/c1-15-3-8-21(16(2)11-15)18-6-9-22-20(12-18)14-26-27(24(22)28)23-10-7-19(13-25-23)17-4-5-17/h3,7-8,10-11,13-14,17-18H,4-6,9,12H2,1-2H3","QNMTYXFBKADALC-UHFFFAOYSA-N",null,"<500"]
["D14238",3520,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565065","Cc1ccc(C2CCc3c(C2)cnn(-c2ccc(cn2)N2CCOCC2)c3=O)c(C)c1","InChI=1S/C25H28N4O2/c1-17-3-6-22(18(2)13-17)19-4-7-23-20(14-19)15-27-29(25(23)30)24-8-5-21(16-26-24)28-9-11-31-12-10-28/h3,5-6,8,13,15-16,19H,4,7,9-12,14H2,1-2H3","NAIHNLMBFHTNHI-UHFFFAOYSA-N",null,"<500"]
["D14239",3551,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564970","Cc1ccc(C2CCc3c(C2)cnn(-c2cccc(C)n2)c3=O)c(C)c1","InChI=1S/C22H23N3O/c1-14-7-9-19(15(2)11-14)17-8-10-20-18(12-17)13-23-25(22(20)26)21-6-4-5-16(3)24-21/h4-7,9,11,13,17H,8,10,12H2,1-3H3","NDLBTEHQIKSOIO-UHFFFAOYSA-N",null,"<500"]
["D14240",3543,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564962","Cc1ccc(C2CCc3c(C2)cnn(-c2cccc(F)n2)c3=O)c(C)c1","InChI=1S/C21H20FN3O/c1-13-6-8-17(14(2)10-13)15-7-9-18-16(11-15)12-23-25(21(18)26)20-5-3-4-19(22)24-20/h3-6,8,10,12,15H,7,9,11H2,1-2H3","MGPODXCQPYUMBG-UHFFFAOYSA-N",null,"<500"]
["D14241",3555,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564974","Cc1ccc(C2CCc3c(C2)cnn(-c2cccc(n2)C#N)c3=O)c(C)c1","InChI=1S/C22H20N4O/c1-14-6-8-19(15(2)10-14)16-7-9-20-17(11-16)13-24-26(22(20)27)21-5-3-4-18(12-23)25-21/h3-6,8,10,13,16H,7,9,11H2,1-2H3","BWFBEUJLMZQOJU-UHFFFAOYSA-N",null,"<500"]
["D14242",3538,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564954","Cc1ccc(C2CCc3c(C2)cnn(-c2ccccn2)c3=O)c(C)c1","InChI=1S/C21H21N3O/c1-14-6-8-18(15(2)11-14)16-7-9-19-17(12-16)13-23-24(21(19)25)20-5-3-4-10-22-20/h3-6,8,10-11,13,16H,7,9,12H2,1-2H3","WKFOJVCMGRBGIU-UHFFFAOYSA-N",null,"<500"]
["D14243",3562,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564981","Cc1ccc(C2CCc3c(C2)cnn(-c2cccnc2)c3=O)c(C)c1","InChI=1S/C21H21N3O/c1-14-5-7-19(15(2)10-14)16-6-8-20-17(11-16)12-23-24(21(20)25)18-4-3-9-22-13-18/h3-5,7,9-10,12-13,16H,6,8,11H2,1-2H3","OIVLMEKQWPHROL-UHFFFAOYSA-N",null,"<500"]
["D14244",3477,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565002","Cc1ccc(C2CCc3c(C2)cnn(-c2ccncc2)c3=O)c(C)c1","InChI=1S/C21H21N3O/c1-14-3-5-19(15(2)11-14)16-4-6-20-17(12-16)13-23-24(21(20)25)18-7-9-22-10-8-18/h3,5,7-11,13,16H,4,6,12H2,1-2H3","KTRSWLURPLPIBX-UHFFFAOYSA-N",null,"<500"]
["D14245",3615,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564986","Cc1ccc(C2CCc3c(C2)cnn(-c2cn(C)cn2)c3=O)c(C)c1","InChI=1S/C20H22N4O/c1-13-4-6-17(14(2)8-13)15-5-7-18-16(9-15)10-22-24(20(18)25)19-11-23(3)12-21-19/h4,6,8,10-12,15H,5,7,9H2,1-3H3","ZDKFBMURJZCRBA-UHFFFAOYSA-N",null,15500]
["D14246",3564,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564983","Cc1ccc(C2CCc3c(C2)cnn(-c2cnccn2)c3=O)c(C)c1","InChI=1S/C20H20N4O/c1-13-3-5-17(14(2)9-13)15-4-6-18-16(10-15)11-23-24(20(18)25)19-12-21-7-8-22-19/h3,5,7-9,11-12,15H,4,6,10H2,1-2H3","LFMMFTBAAPRBLH-UHFFFAOYSA-N",null,"<500"]
["D14247",3565,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564985","Cc1ccc(C2CCc3c(C2)cnn(-c2cscn2)c3=O)c(C)c1","InChI=1S/C19H19N3OS/c1-12-3-5-16(13(2)7-12)14-4-6-17-15(8-14)9-21-22(19(17)23)18-10-24-11-20-18/h3,5,7,9-11,14H,4,6,8H2,1-2H3","ZFTVSPDQIRJFSD-UHFFFAOYSA-N",null,"<500"]
["D14248",3614,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564988","Cc1ccc(C2CCc3c(C2)cnn(-c2nc(C)cc(C)n2)c3=O)c(C)c1","InChI=1S/C22H24N4O/c1-13-5-7-19(14(2)9-13)17-6-8-20-18(11-17)12-23-26(21(20)27)22-24-15(3)10-16(4)25-22/h5,7,9-10,12,17H,6,8,11H2,1-4H3","ULCYEXJGKIXTQF-UHFFFAOYSA-N",null,15500]
["D14249",3479,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565004","Cc1ccc(C2CCc3c(C2)cnn(-c2ncc(C)cn2)c3=O)c(C)c1","InChI=1S/C21H22N4O/c1-13-4-6-18(15(3)8-13)16-5-7-19-17(9-16)12-24-25(20(19)26)21-22-10-14(2)11-23-21/h4,6,8,10-12,16H,5,7,9H2,1-3H3","UFEGIMZDEAHZMW-UHFFFAOYSA-N",null,"<500"]
["D14250",3484,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565009","Cc1ccc(C2CCc3c(C2)cnn(-c2ncc(CN4CCOCC4)cn2)c3=O)c(C)c1","InChI=1S/C25H29N5O2/c1-17-3-5-22(18(2)11-17)20-4-6-23-21(12-20)15-28-30(24(23)31)25-26-13-19(14-27-25)16-29-7-9-32-10-8-29/h3,5,11,13-15,20H,4,6-10,12,16H2,1-2H3","UJFBZIZSCAKRJW-UHFFFAOYSA-N",null,"<500"]
["D14251",3478,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565003","Cc1ccc(C2CCc3c(C2)cnn(-c2ncc(Cl)cn2)c3=O)c(C)c1","InChI=1S/C20H19ClN4O/c1-12-3-5-17(13(2)7-12)14-4-6-18-15(8-14)9-24-25(19(18)26)20-22-10-16(21)11-23-20/h3,5,7,9-11,14H,4,6,8H2,1-2H3","KAPHBMCTVALNQT-UHFFFAOYSA-N",null,"<500"]
["D14252",3481,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565006","Cc1ccc(C2CCc3c(C2)cnn(-c2ncc(F)cn2)c3=O)c(C)c1","InChI=1S/C20H19FN4O/c1-12-3-5-17(13(2)7-12)14-4-6-18-15(8-14)9-24-25(19(18)26)20-22-10-16(21)11-23-20/h3,5,7,9-11,14H,4,6,8H2,1-2H3","AVTREMIFXNTKGZ-UHFFFAOYSA-N",null,"<500"]
["D14253",3482,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565007","Cc1ccc(C2CCc3c(C2)cnn(-c2ncc(cn2)C(F)(F)F)c3=O)c(C)c1","InChI=1S/C21H19F3N4O/c1-12-3-5-17(13(2)7-12)14-4-6-18-15(8-14)9-27-28(19(18)29)20-25-10-16(11-26-20)21(22,23)24/h3,5,7,9-11,14H,4,6,8H2,1-2H3","PFTZFLWRBPXLGV-UHFFFAOYSA-N",null,"<500"]
["D14254",3516,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565060","Cc1ccc(C2CCc3c(C2)cnn(-c2ncc(cn2)C2CC2)c3=O)c(C)c1","InChI=1S/C23H24N4O/c1-14-3-7-20(15(2)9-14)17-6-8-21-18(10-17)13-26-27(22(21)28)23-24-11-19(12-25-23)16-4-5-16/h3,7,9,11-13,16-17H,4-6,8,10H2,1-2H3","LYSRMYHDPQEYCY-UHFFFAOYSA-N",null,"<500"]
["D14255",3522,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565067","Cc1ccc(C2CCc3c(C2)cnn(-c2ncc(cn2)N2CCC2)c3=O)c(C)c1","InChI=1S/C23H25N5O/c1-15-4-6-20(16(2)10-15)17-5-7-21-18(11-17)12-26-28(22(21)29)23-24-13-19(14-25-23)27-8-3-9-27/h4,6,10,12-14,17H,3,5,7-9,11H2,1-2H3","PQKIBPIKYLDMAV-UHFFFAOYSA-N",null,"<500"]
["D14256",3521,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565066","Cc1ccc(C2CCc3c(C2)cnn(-c2ncc(cn2)N2CCOCC2)c3=O)c(C)c1","InChI=1S/C24H27N5O2/c1-16-3-5-21(17(2)11-16)18-4-6-22-19(12-18)13-27-29(23(22)30)24-25-14-20(15-26-24)28-7-9-31-10-8-28/h3,5,11,13-15,18H,4,6-10,12H2,1-2H3","YFKRDJLIBBVTDV-UHFFFAOYSA-N",null,"<500"]
["D14257",3567,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564989","Cc1ccc(C2CCc3c(C2)cnn(-c2nccc(n2)C2CC2)c3=O)c(C)c1","InChI=1S/C23H24N4O/c1-14-3-7-19(15(2)11-14)17-6-8-20-18(12-17)13-25-27(22(20)28)23-24-10-9-21(26-23)16-4-5-16/h3,7,9-11,13,16-17H,4-6,8,12H2,1-2H3","PQBCUUXMXBXQNG-UHFFFAOYSA-N",null,"<500"]
["D14258",3558,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564977","Cc1ccc(C2CCc3c(C2)cnn(-c2ncccc2C#N)c3=O)c(C)c1","InChI=1S/C22H20N4O/c1-14-5-7-19(15(2)10-14)16-6-8-20-18(11-16)13-25-26(22(20)27)21-17(12-23)4-3-9-24-21/h3-5,7,9-10,13,16H,6,8,11H2,1-2H3","HCEZKSXUQIVGEI-UHFFFAOYSA-N",null,"<500"]
["D14259",3554,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564973","Cc1ccc(C2CCc3c(C2)cnn(-c2ncccc2C)c3=O)c(C)c1","InChI=1S/C22H23N3O/c1-14-6-8-19(16(3)11-14)17-7-9-20-18(12-17)13-24-25(22(20)26)21-15(2)5-4-10-23-21/h4-6,8,10-11,13,17H,7,9,12H2,1-3H3","XITLBBSOCZGCKS-UHFFFAOYSA-N",null,"<500"]
["D14260",3542,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564961","Cc1ccc(C2CCc3c(C2)cnn(-c2ncccc2Cl)c3=O)c(C)c1","InChI=1S/C21H20ClN3O/c1-13-5-7-17(14(2)10-13)15-6-8-18-16(11-15)12-24-25(21(18)26)20-19(22)4-3-9-23-20/h3-5,7,9-10,12,15H,6,8,11H2,1-2H3","ZJKKJLNYXXGIRG-UHFFFAOYSA-N",null,"<500"]
["D14261",3546,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564965","Cc1ccc(C2CCc3c(C2)cnn(-c2ncccc2F)c3=O)c(C)c1","InChI=1S/C21H20FN3O/c1-13-5-7-17(14(2)10-13)15-6-8-18-16(11-15)12-24-25(21(18)26)20-19(22)4-3-9-23-20/h3-5,7,9-10,12,15H,6,8,11H2,1-2H3","JIXGKODGRPUJKT-UHFFFAOYSA-N",null,"<500"]
["D14262",3563,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564982","Cc1ccc(C2CCc3c(C2)cnn(-c2ncccn2)c3=O)c(C)c1","InChI=1S/C20H20N4O/c1-13-4-6-17(14(2)10-13)15-5-7-18-16(11-15)12-23-24(19(18)25)20-21-8-3-9-22-20/h3-4,6,8-10,12,15H,5,7,11H2,1-2H3","IASUXFSXYUYEJQ-UHFFFAOYSA-N",null,"<500"]
["D14263",3508,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565046","Cc1ccc(C2CCc3c(C2)cnn(-c2ncccn2)c3=O)c(Cl)c1","InChI=1S/C19H17ClN4O/c1-12-3-5-15(17(20)9-12)13-4-6-16-14(10-13)11-23-24(18(16)25)19-21-7-2-8-22-19/h2-3,5,7-9,11,13H,4,6,10H2,1H3","VOFZAPIKOLFXFQ-UHFFFAOYSA-N",null,"<500"]
["D14264",3570,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564984","Cc1ccc(C2CCc3c(C2)cnn(-c2nccs2)c3=O)c(C)c1","InChI=1S/C19H19N3OS/c1-12-3-5-16(13(2)9-12)14-4-6-17-15(10-14)11-21-22(18(17)23)19-20-7-8-24-19/h3,5,7-9,11,14H,4,6,10H2,1-2H3","CUJGCOYCGVXISL-UHFFFAOYSA-N",null,750]
["D14265",3526,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565073","Cc1ccc(C2CCc3c(C2)ncn(-c2ccccn2)c3=O)c(C)c1","InChI=1S/C21H21N3O/c1-14-6-8-17(15(2)11-14)16-7-9-18-19(12-16)23-13-24(21(18)25)20-5-3-4-10-22-20/h3-6,8,10-11,13,16H,7,9,12H2,1-2H3","PUSFGSNGPNZZRJ-UHFFFAOYSA-N",null,"<500"]
["D14266",3618,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565072","Cc1ccc(C2Cc3cnn(-c4ccccn4)c(=O)c3C2)c(C)c1","InChI=1S/C20H19N3O/c1-13-6-7-17(14(2)9-13)15-10-16-12-22-23(20(24)18(16)11-15)19-5-3-4-8-21-19/h3-9,12,15H,10-11H2,1-2H3","PTVLZDHFAFFZBZ-UHFFFAOYSA-N",null,15500]
["D14267",4697,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM43476","Cc1ccc(C=C2C(Cl)=C(Cl)C(Cl)=C2Cl)cc1","InChI=1S/C13H8Cl4/c1-7-2-4-8(5-3-7)6-9-10(14)12(16)13(17)11(9)15/h2-6H,1H3","GLCNSQWOANYMNW-UHFFFAOYSA-N",{"$nulls":3},7185]
["D14268",11922,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43068","Cc1ccc(C=C2SC(N)=NC2=O)s1","InChI=1S/C9H8N2OS2/c1-5-2-3-6(13-5)4-7-8(12)11-9(10)14-7/h2-4H,1H3,(H2,10,11,12)","QSCATTCVNHITGW-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14269",32168,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43608","Cc1ccc(CC(=O)Nc2nc3CCCCc3s2)cc1","InChI=1S/C16H18N2OS/c1-11-6-8-12(9-7-11)10-15(19)18-16-17-13-4-2-3-5-14(13)20-16/h6-9H,2-5,10H2,1H3,(H,17,18,19)","WBZPPDQAVAACQN-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D14270",3785,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66718","Cc1ccc(CCC(=O)Nc2ccc(Br)cc2)o1","InChI=1S/C14H14BrNO2/c1-10-2-7-13(18-10)8-9-14(17)16-12-5-3-11(15)4-6-12/h2-7H,8-9H2,1H3,(H,16,17)","JABYCOOMMCQRJC-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14271",3922,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66837","Cc1ccc(CCNC(=O)c2cc(nc3ccc(cc23)S(=O)(=O)N2CCOCC2)-c2ccncc2)cc1","InChI=1S/C28H28N4O4S/c1-20-2-4-21(5-3-20)8-13-30-28(33)25-19-27(22-9-11-29-12-10-22)31-26-7-6-23(18-24(25)26)37(34,35)32-14-16-36-17-15-32/h2-7,9-12,18-19H,8,13-17H2,1H3,(H,30,33)","VCQKWTGPRFAMLD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14272",32342,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396709","Cc1ccc(CCNS(=O)(=O)c2cccc(c2)C(O)=O)cc1","InChI=1S/C16H17NO4S/c1-12-5-7-13(8-6-12)9-10-17-22(20,21)15-4-2-3-14(11-15)16(18)19/h2-8,11,17H,9-10H2,1H3,(H,18,19)","KLTJANHLSXYJDD-UHFFFAOYSA-N",null,">30000"]
["D14273",12024,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43155","Cc1ccc(CN2CCN(Cc3cccc(OCCO)c3)CC2CCO)o1","InChI=1S/C21H30N2O4/c1-17-5-6-21(27-17)16-23-9-8-22(15-19(23)7-10-24)14-18-3-2-4-20(13-18)26-12-11-25/h2-6,13,19,24-25H,7-12,14-16H2,1H3","UBBDPXBTAUFYJV-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14274",11970,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43103","Cc1ccc(CNC(=O)COc2ccc(cc2)C(=O)c2ccc(F)cc2)cc1","InChI=1S/C23H20FNO3/c1-16-2-4-17(5-3-16)14-25-22(26)15-28-21-12-8-19(9-13-21)23(27)18-6-10-20(24)11-7-18/h2-13H,14-15H2,1H3,(H,25,26)","FSYBDEFYUTUJNC-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14275",4732,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66656","Cc1ccc(CNC(=O)c2ccc3c(c2)nc2scc(-c4ccc(C)cc4)n2c3=O)cc1","InChI=1S/C26H21N3O2S/c1-16-3-7-18(8-4-16)14-27-24(30)20-11-12-21-22(13-20)28-26-29(25(21)31)23(15-32-26)19-9-5-17(2)6-10-19/h3-13,15H,14H2,1-2H3,(H,27,30)","BARNPSMTSDGARI-UHFFFAOYSA-N",{"$nulls":3},41650]
["D14276",28477,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50275855","Cc1ccc(CNc2cc(Cl)nc3ccnn23)cc1","InChI=1S/C14H13ClN4/c1-10-2-4-11(5-3-10)9-16-14-8-12(15)18-13-6-7-17-19(13)14/h2-8,16H,9H2,1H3","CDZWBXRGYWIBNQ-UHFFFAOYSA-N",null,">30000"]
["D14277",31855,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50103765","Cc1ccc(CNc2nc(C)c3ccccc3n2)o1","InChI=1S/C15H15N3O/c1-10-7-8-12(19-10)9-16-15-17-11(2)13-5-3-4-6-14(13)18-15/h3-8H,9H2,1-2H3,(H,16,17,18)","RTYJOFWJRGWGFG-UHFFFAOYSA-N",null,">30000"]
["D14278",3987,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM58626","Cc1ccc(CS(=O)(=O)c2ncc(Cl)c(n2)C(=O)Nc2ccc(OC(F)F)cc2)cc1","InChI=1S/C20H16ClF2N3O4S/c1-12-2-4-13(5-3-12)11-31(28,29)20-24-10-16(21)17(26-20)18(27)25-14-6-8-15(9-7-14)30-19(22)23/h2-10,19H,11H2,1H3,(H,25,27)","SJKHUHJFGMZWKX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14279",11831,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42984","Cc1ccc(CSc2nc3CCCc3cc2C#N)cc1","InChI=1S/C17H16N2S/c1-12-5-7-13(8-6-12)11-20-17-15(10-18)9-14-3-2-4-16(14)19-17/h5-9H,2-4,11H2,1H3","JOLAMJXULGBGHY-UHFFFAOYSA-N",{"$nulls":3},47580]
["D14280",4471,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66442","Cc1ccc(CSc2ncnc3n(ncc23)-c2ccccc2)cc1","InChI=1S/C19H16N4S/c1-14-7-9-15(10-8-14)12-24-19-17-11-22-23(18(17)20-13-21-19)16-5-3-2-4-6-16/h2-11,13H,12H2,1H3","ZLAHLFIHZYAMSW-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14281",32388,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM22971","Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl","InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)","SBDNJUWAMKYJOX-UHFFFAOYSA-N",null,">100000"]
["D14282",4607,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66556","Cc1ccc(Cl)cc1NC(=O)CC1NC2CCCCC2NC1=O","InChI=1S/C17H22ClN3O2/c1-10-6-7-11(18)8-14(10)20-16(22)9-15-17(23)21-13-5-3-2-4-12(13)19-15/h6-8,12-13,15,19H,2-5,9H2,1H3,(H,20,22)(H,21,23)","FHOGTDDHTNEESA-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14283",25919,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM21079","Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1","InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)","MPVGZUGXCQEXTM-UHFFFAOYSA-N",null,null,">10000"]
["D14284",32005,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67112","Cc1ccc(NC(=O)C(N2CCN(CC2)S(=O)(=O)c2ccccc2)c2ccccc2)cc1","InChI=1S/C25H27N3O3S/c1-20-12-14-22(15-13-20)26-25(29)24(21-8-4-2-5-9-21)27-16-18-28(19-17-27)32(30,31)23-10-6-3-7-11-23/h2-15,24H,16-19H2,1H3,(H,26,29)","UVZCRNWKIBZWSQ-UHFFFAOYSA-N",null,">55690"]
["D14285",3779,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66713","Cc1ccc(NC(=O)CCN2CCOCC2)cc1C","InChI=1S/C15H22N2O2/c1-12-3-4-14(11-13(12)2)16-15(18)5-6-17-7-9-19-10-8-17/h3-4,11H,5-10H2,1-2H3,(H,16,18)","DWYLQTWDVDAJLV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14286",4198,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67081","Cc1ccc(NC(=O)COC(=O)CCc2c(C)nc3ncnn3c2C)cc1C","InChI=1S/C20H23N5O3/c1-12-5-6-16(9-13(12)2)24-18(26)10-28-19(27)8-7-17-14(3)23-20-21-11-22-25(20)15(17)4/h5-6,9,11H,7-8,10H2,1-4H3,(H,24,26)","KTVJZZDBABXCNG-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14287",4007,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66910","Cc1ccc(NC(=O)CSc2nc3ccc(Nc4nc(nc(n4)N4CCOCC4)N4CCOCC4)cc3s2)cc1","InChI=1S/C27H30N8O3S2/c1-18-2-4-19(5-3-18)28-23(36)17-39-27-30-21-7-6-20(16-22(21)40-27)29-24-31-25(34-8-12-37-13-9-34)33-26(32-24)35-10-14-38-15-11-35/h2-7,16H,8-15,17H2,1H3,(H,28,36)(H,29,31,32,33)","PUSGBPYCGNRMHL-UHFFFAOYSA-N",{"$nulls":3},14900]
["D14288",4021,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66923","Cc1ccc(NC(=O)CSc2nc3nc(C)c(Br)cc3[nH]2)cc1F","InChI=1S/C16H14BrFN4OS/c1-8-3-4-10(5-12(8)18)20-14(23)7-24-16-21-13-6-11(17)9(2)19-15(13)22-16/h3-6H,7H2,1-2H3,(H,20,23)(H,19,21,22)","KGFUGPDGDDNTHP-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14289",12357,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM34209","Cc1ccc(NC(=O)CSc2nnc(o2)-c2ccc(cc2)S(=O)(=O)N2CCCC2)cc1C","InChI=1S/C22H24N4O4S2/c1-15-5-8-18(13-16(15)2)23-20(27)14-31-22-25-24-21(30-22)17-6-9-19(10-7-17)32(28,29)26-11-3-4-12-26/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,27)","SYXITLZGYACZEK-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14290",4109,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66996","Cc1ccc(NC(=O)Cn2c3ccccc3ncc2=O)cc1S(=O)(=O)N1CCOCC1","InChI=1S/C21H22N4O5S/c1-15-6-7-16(12-19(15)31(28,29)24-8-10-30-11-9-24)23-20(26)14-25-18-5-3-2-4-17(18)22-13-21(25)27/h2-7,12-13H,8-11,14H2,1H3,(H,23,26)","HAVWLOVYALXAHS-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14291",4113,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67000","Cc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)N1CCCCC1","InChI=1S/C18H20Cl2N4O4S/c1-12-5-6-13(9-15(12)29(27,28)23-7-3-2-4-8-23)22-16(25)11-24-18(26)17(20)14(19)10-21-24/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,22,25)","QLAXAMLCUOJCLU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14292",4503,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM57650","Cc1ccc(NC(=O)c2cc(ccc2N2CCOCC2)N2C(=O)C=CC2=O)cc1Cl","InChI=1S/C22H20ClN3O4/c1-14-2-3-15(12-18(14)23)24-22(29)17-13-16(26-20(27)6-7-21(26)28)4-5-19(17)25-8-10-30-11-9-25/h2-7,12-13H,8-11H2,1H3,(H,24,29)","MFLBKFTVOYEZKX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14293",32239,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50543399","Cc1ccc(NC(=O)c2cc3cccc(O)c3oc2=N)cc1","InChI=1S/C17H14N2O3/c1-10-5-7-12(8-6-10)19-17(21)13-9-11-3-2-4-14(20)15(11)22-16(13)18/h2-9,18,20H,1H3,(H,19,21)","SKZQOFVKMNLPBF-UHFFFAOYSA-N",null,">10000"]
["D14294",4303,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66051","Cc1ccc(NC(=O)c2ccc(Cl)c(c2)N2C(=O)C=CC2=O)cc1","InChI=1S/C18H13ClN2O3/c1-11-2-5-13(6-3-11)20-18(24)12-4-7-14(19)15(10-12)21-16(22)8-9-17(21)23/h2-10H,1H3,(H,20,24)","ACSISLCYYDRVIM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14295",4280,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66386","Cc1ccc(NC(=O)c2ccc(N=NCc3cccc(O)c3)c(c2)[N+]([O-])=O)cc1","InChI=1S/C21H18N4O4/c1-14-5-8-17(9-6-14)23-21(27)16-7-10-19(20(12-16)25(28)29)24-22-13-15-3-2-4-18(26)11-15/h2-12,26H,13H2,1H3,(H,23,27)","HQOTXHCVTQOIJF-UHFFFAOYSA-N",{"$nulls":3},21460]
["D14296",4306,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66405","Cc1ccc(NC(=O)c2ccc(NCC3CCCO3)c(c2)[N+]([O-])=O)cc1Cl","InChI=1S/C19H20ClN3O4/c1-12-4-6-14(10-16(12)20)22-19(24)13-5-7-17(18(9-13)23(25)26)21-11-15-3-2-8-27-15/h4-7,9-10,15,21H,2-3,8,11H2,1H3,(H,22,24)","QVAVAXFGIGDMCS-UHFFFAOYSA-N",{"$nulls":3},219500]
["D14297",4068,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66962","Cc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)NCc2ccccc2)nc1","InChI=1S/C20H19N3O3S/c1-15-10-11-19(21-13-15)23-20(24)17-8-5-9-18(12-17)27(25,26)22-14-16-6-3-2-4-7-16/h2-13,22H,14H2,1H3,(H,21,23,24)","SVVUVIFXYKUGPK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14298",11919,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43065","Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)nc1","InChI=1S/C15H11ClN2OS/c1-9-6-7-12(17-8-9)18-15(19)14-13(16)10-4-2-3-5-11(10)20-14/h2-8H,1H3,(H,17,18,19)","GUMUTRKQFWRANF-UHFFFAOYSA-N",{"$nulls":3},52020]
["D14299",4553,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM55685","Cc1ccc(NC(=S)N(CCCN2CCCC2)Cc2cccn2Cc2ccc(Cl)cc2)cc1Cl","InChI=1S/C27H32Cl2N4S/c1-21-7-12-24(18-26(21)29)30-27(34)33(17-5-15-31-13-2-3-14-31)20-25-6-4-16-32(25)19-22-8-10-23(28)11-9-22/h4,6-12,16,18H,2-3,5,13-15,17,19-20H2,1H3,(H,30,34)","UPXSQTKCJWIRJW-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14300",4415,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66333","Cc1ccc(NC(=S)NC(NC(=O)Cc2cccc3ccccc23)C(Cl)(Cl)Cl)cc1","InChI=1S/C22H20Cl3N3OS/c1-14-9-11-17(12-10-14)26-21(30)28-20(22(23,24)25)27-19(29)13-16-7-4-6-15-5-2-3-8-18(15)16/h2-12,20H,13H2,1H3,(H,27,29)(H2,26,28,30)","FCGKYYPMEJTENP-UHFFFAOYSA-N",{"$nulls":3},20040]
["D14301",3850,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66776","Cc1ccc(NC2=c3c(Br)c(C)ccc3=NC2=O)cc1","InChI=1S/C16H13BrN2O/c1-9-3-6-11(7-4-9)18-15-13-12(19-16(15)20)8-5-10(2)14(13)17/h3-8H,1-2H3,(H,18,19,20)","OTGZNHVSRDVCDH-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14302",3869,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66793","Cc1ccc(NC2=c3ccccc3=NC2=O)cc1","InChI=1S/C15H12N2O/c1-10-6-8-11(9-7-10)16-14-12-4-2-3-5-13(12)17-15(14)18/h2-9H,1H3,(H,16,17,18)","ZETUOQQJYCOFTD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14303",4414,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM61665","Cc1ccc(NN2C(=O)C=C(C2=O)c2ccc(Cl)cc2)cc1","InChI=1S/C17H13ClN2O2/c1-11-2-8-14(9-3-11)19-20-16(21)10-15(17(20)22)12-4-6-13(18)7-5-12/h2-10,19H,1H3","ONPUYTXDZFOYJX-UHFFFAOYSA-N",{"$nulls":3},4890]
["D14304",11921,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43067","Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3cccnc3)cc2)cc1","InChI=1S/C21H21N3O4S/c1-16-4-6-18(7-5-16)24-29(26,27)20-10-8-19(9-11-20)28-15-21(25)23-14-17-3-2-12-22-13-17/h2-13,24H,14-15H2,1H3,(H,23,25)","DDNSBKLMPOBLSU-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14305",11936,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43196","Cc1ccc(NS(=O)(=O)c2cccs2)cc1S(=O)(=O)N1CCCCCC1","InChI=1S/C17H22N2O4S3/c1-14-8-9-15(18-25(20,21)17-7-6-12-24-17)13-16(14)26(22,23)19-10-4-2-3-5-11-19/h6-9,12-13,18H,2-5,10-11H2,1H3","JUCGMMKFWOTYGC-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14306",3455,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM86717","Cc1ccc(O)c(N=Nc2ccccc2)n1","InChI=1S/C12H11N3O/c1-9-7-8-11(16)12(13-9)15-14-10-5-3-2-4-6-10/h2-8,16H,1H3","LOCPVWIREQIGNQ-UHFFFAOYSA-N",">100000"]
["D14307",12072,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87587","Cc1ccc(O)c(Nc2ncnc3ccc(cc23)[N+]([O-])=O)c1","InChI=1S/C15H12N4O3/c1-9-2-5-14(20)13(6-9)18-15-11-7-10(19(21)22)3-4-12(11)16-8-17-15/h2-8,20H,1H3,(H,16,17,18)","DOPVLNAHEALJNQ-UHFFFAOYSA-N",null,3587]
["D14308",12186,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM82750","Cc1ccc(O)c(c1)C(=O)c1cnn(c1)C(=O)COc1ccc(Cl)cc1","InChI=1S/C19H15ClN2O4/c1-12-2-7-17(23)16(8-12)19(25)13-9-21-22(10-13)18(24)11-26-15-5-3-14(20)4-6-15/h2-10,23H,11H2,1H3","RCNNKOQWZGQKAI-UHFFFAOYSA-N",null,7962]
["D14309",4063,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66957","Cc1ccc(OC(=O)C2CCN(CC2)C(=O)c2ccccc2C)c(Br)c1","InChI=1S/C21H22BrNO3/c1-14-7-8-19(18(22)13-14)26-21(25)16-9-11-23(12-10-16)20(24)17-6-4-3-5-15(17)2/h3-8,13,16H,9-12H2,1-2H3","RGMHCRFTHCKLRB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14310",3499,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565035","Cc1ccc(OC2CC2)cc1C1CCc2c(C1)cnn(-c1ncccn1)c2=O","InChI=1S/C22H22N4O2/c1-14-3-5-18(28-17-6-7-17)12-20(14)15-4-8-19-16(11-15)13-25-26(21(19)27)22-23-9-2-10-24-22/h2-3,5,9-10,12-13,15,17H,4,6-8,11H2,1H3","HEFFECBQRQXHFP-UHFFFAOYSA-N",null,"<500"]
["D14311",11939,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43072","Cc1ccc(OCC(=O)NNC(=O)C(=O)NC(C)(C)C)cc1","InChI=1S/C15H21N3O4/c1-10-5-7-11(8-6-10)22-9-12(19)17-18-14(21)13(20)16-15(2,3)4/h5-8H,9H2,1-4H3,(H,16,20)(H,17,19)(H,18,21)","KOJFJGUUPRNXIV-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14312",3791,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66724","Cc1ccc(OCC(O)CN2CCN(CCO)CC2)c(C)c1","InChI=1S/C17H28N2O3/c1-14-3-4-17(15(2)11-14)22-13-16(21)12-19-7-5-18(6-8-19)9-10-20/h3-4,11,16,20-21H,5-10,12-13H2,1-2H3","RJZOHAQPXWWWKT-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14313",4612,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66561","Cc1ccc(OCCC(=O)Nc2ccc(C)c(F)c2)cc1","InChI=1S/C17H18FNO2/c1-12-3-7-15(8-4-12)21-10-9-17(20)19-14-6-5-13(2)16(18)11-14/h3-8,11H,9-10H2,1-2H3,(H,19,20)","MPUVSOYPPXVCEJ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14314",4038,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66939","Cc1ccc(OCCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1","InChI=1S/C20H22N2O3/c1-14-6-10-16(11-7-14)25-13-12-19(23)22-18-5-3-2-4-17(18)20(24)21-15-8-9-15/h2-7,10-11,15H,8-9,12-13H2,1H3,(H,21,24)(H,22,23)","OTOWXFKDXVWQKP-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14315",4704,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66633","Cc1ccc(OP(=O)(Nc2ccc(cn2)[N+]([O-])=O)Oc2ccc(C)cc2)cc1","InChI=1S/C19H18N3O5P/c1-14-3-8-17(9-4-14)26-28(25,27-18-10-5-15(2)6-11-18)21-19-12-7-16(13-20-19)22(23)24/h3-13H,1-2H3,(H,20,21,25)","SKPHKNYHLJTWMP-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14316",32130,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46421","Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1","InChI=1S/C20H18N2O2/c1-15-2-6-18(7-3-15)24-19-8-4-17(5-9-19)20(23)22-14-16-10-12-21-13-11-16/h2-13H,14H2,1H3,(H,22,23)","KUELMQAVLKNHFA-UHFFFAOYSA-N",null,">55700"]
["D14317",4421,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM39674","Cc1ccc(SCCNC(=S)Nc2cc(C)ccc2C)cc1","InChI=1S/C18H22N2S2/c1-13-5-8-16(9-6-13)22-11-10-19-18(21)20-17-12-14(2)4-7-15(17)3/h4-9,12H,10-11H2,1-3H3,(H2,19,20,21)","IIIQJAKHUZXUHB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14318",3799,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66731","Cc1ccc(Sc2c([N+]([O-])=O)c(=O)n(C)c3ccccc23)cc1","InChI=1S/C17H14N2O3S/c1-11-7-9-12(10-8-11)23-16-13-5-3-4-6-14(13)18(2)17(20)15(16)19(21)22/h3-10H,1-2H3","YPRWBCIJAZDVIK-UHFFFAOYSA-N",{"$nulls":3},188600]
["D14319",4003,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66906","Cc1ccc(Sc2ncccc2C(=O)NCc2cc(ccc2O)[N+]([O-])=O)cc1C","InChI=1S/C21H19N3O4S/c1-13-5-7-17(10-14(13)2)29-21-18(4-3-9-22-21)20(26)23-12-15-11-16(24(27)28)6-8-19(15)25/h3-11,25H,12H2,1-2H3,(H,23,26)","UANNMXZDXLHHQF-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14320",3622,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564957","Cc1ccc([C@@H]2CCc3c(C2)cnn(-c2ccccn2)c3=O)c(C)c1","InChI=1S/C21H21N3O/c1-14-6-8-18(15(2)11-14)16-7-9-19-17(12-16)13-23-24(21(19)25)20-5-3-4-10-22-20/h3-6,8,10-11,13,16H,7,9,12H2,1-2H3/t16-/m1/s1","WKFOJVCMGRBGIU-MRXNPFEDSA-N",null,15500]
["D14321",3539,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564958","Cc1ccc([C@H]2CCc3c(C2)cnn(-c2ccccn2)c3=O)c(C)c1","InChI=1S/C21H21N3O/c1-14-6-8-18(15(2)11-14)16-7-9-19-17(12-16)13-23-24(21(19)25)20-5-3-4-10-22-20/h3-6,8,10-11,13,16H,7,9,12H2,1-2H3/t16-/m0/s1","WKFOJVCMGRBGIU-INIZCTEOSA-N",null,"<500"]
["D14322",11787,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87345","Cc1ccc(\\C=C2/SC(=S)N(CCCC(=O)NC3CCCC3)C2=O)cc1","InChI=1S/C20H24N2O2S2/c1-14-8-10-15(11-9-14)13-17-19(24)22(20(25)26-17)12-4-7-18(23)21-16-5-2-3-6-16/h8-11,13,16H,2-7,12H2,1H3,(H,21,23)/b17-13-","GGSCOGVZVMPTFS-LGMDPLHJSA-N",null,1763]
["D14323",12059,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87298","Cc1ccc(\\C=C2\\SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)cc1","InChI=1S/C21H20N2O3S2/c1-14-4-6-15(7-5-14)13-18-20(26)23(21(27)28-18)12-2-3-19(25)22-16-8-10-17(24)11-9-16/h4-11,13,24H,2-3,12H2,1H3,(H,22,25)/b18-13+","KHQDGDMVFGTXLC-QGOAFFKASA-N",null,3234]
["D14324",4055,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM58875","Cc1ccc(\\C=C\\C(=O)c2ccc(o2)[N+]([O-])=O)cc1","InChI=1S/C14H11NO4/c1-10-2-4-11(5-3-10)6-7-12(16)13-8-9-14(19-13)15(17)18/h2-9H,1H3/b7-6+","BAZZNMVWZXUKKN-VOTSOKGWSA-N",{"$nulls":3},">350000"]
["D14325",32126,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46417","Cc1ccc(c(C)c1)-n1ncc2c(SCc3cccnc3)ncnc12","InChI=1S/C19H17N5S/c1-13-5-6-17(14(2)8-13)24-18-16(10-23-24)19(22-12-21-18)25-11-15-4-3-7-20-9-15/h3-10,12H,11H2,1-2H3","FOBWHVBAUPMWAP-UHFFFAOYSA-N",null,">55700"]
["D14326",32087,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46373","Cc1ccc(c(C)c1)-n1nnnc1SCn1nnc2ccccc2c1=O","InChI=1S/C17H15N7OS/c1-11-7-8-15(12(2)9-11)24-17(19-20-22-24)26-10-23-16(25)13-5-3-4-6-14(13)18-21-23/h3-9H,10H2,1-2H3","GGGABHNGOJPZKD-UHFFFAOYSA-N",null,">55700"]
["D14327",11923,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43069","Cc1ccc(cc1)-c1cc(-c2ccccc2)c(C#N)c(Br)n1","InChI=1S/C19H13BrN2/c1-13-7-9-15(10-8-13)18-11-16(14-5-3-2-4-6-14)17(12-21)19(20)22-18/h2-11H,1H3","NSGBGNPPUUZWTE-UHFFFAOYSA-N",{"$nulls":3},58220]
["D14328",365,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575776","Cc1ccc(cc1)-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O","InChI=1S/C23H30FN2O4P/c1-17-4-6-18(7-5-17)21-14-20(24)9-8-19(21)15-26-12-13-31(29,30)23(16-26,22(27)28)10-2-3-11-25/h4-9,14H,2-3,10-13,15-16,25H2,1H3,(H,27,28)(H,29,30)/t23-/m0/s1","FZBBTYWRMKWFCQ-QHCPKHFHSA-N",null,1]
["D14329",4809,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50305868","Cc1ccc(cc1)-c1cc2onc(-c3ccccc3)c2c(=O)n1C","InChI=1S/C20H16N2O2/c1-13-8-10-14(11-9-13)16-12-17-18(20(23)22(16)2)19(21-24-17)15-6-4-3-5-7-15/h3-12H,1-2H3","BESWQYUOFDGBAT-UHFFFAOYSA-N",null,51]
["D14330",17596,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209663","Cc1ccc(cc1)-c1cccc(c1)-c1cnc(N)c(c1)C(=O)Nc1ccncc1","InChI=1S/C24H20N4O/c1-16-5-7-17(8-6-16)18-3-2-4-19(13-18)20-14-22(23(25)27-15-20)24(29)28-21-9-11-26-12-10-21/h2-15H,1H3,(H2,25,27)(H,26,28,29)","OIGQPJIJVQOWKU-UHFFFAOYSA-N",null,7400,{"$nulls":4},7.5,"30.00 C"]
["D14331",31832,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46407","Cc1ccc(cc1)-c1cn2cc(ccc2n1)[N+]([O-])=O","InChI=1S/C14H11N3O2/c1-10-2-4-11(5-3-10)13-9-16-8-12(17(18)19)6-7-14(16)15-13/h2-9H,1H3","OXZAYLSFLAKDTK-UHFFFAOYSA-N",null,">18560"]
["D14332",4743,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66667","Cc1ccc(cc1)-c1csc(N=C(N)N)n1","InChI=1S/C11H12N4S/c1-7-2-4-8(5-3-7)9-6-16-11(14-9)15-10(12)13/h2-6H,1H3,(H4,12,13,14,15)","ZDGAXVHTLHPERL-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14333",12000,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43132","Cc1ccc(cc1)-c1csc(NC(=O)c2cc(ccc2N2CCOCC2)[N+]([O-])=O)n1","InChI=1S/C21H20N4O4S/c1-14-2-4-15(5-3-14)18-13-30-21(22-18)23-20(26)17-12-16(25(27)28)6-7-19(17)24-8-10-29-11-9-24/h2-7,12-13H,8-11H2,1H3,(H,22,23,26)","TVLDNHKEZXPYHY-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14334",31696,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM36973","Cc1ccc(cc1)-c1csc2ncnc(Sc3nnc(CN4CCCCCC4=O)o3)c12","InChI=1S/C22H21N5O2S2/c1-14-6-8-15(9-7-14)16-12-30-20-19(16)21(24-13-23-20)31-22-26-25-17(29-22)11-27-10-4-2-3-5-18(27)28/h6-9,12-13H,2-5,10-11H2,1H3","WDTJJMFFOIUNKQ-UHFFFAOYSA-N",null,6702]
["D14335",4438,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66349","Cc1ccc(cc1)-c1noc(CSc2nnc(CCc3ccccc3)n2-c2ccccc2)n1","InChI=1S/C26H23N5OS/c1-19-12-15-21(16-13-19)25-27-24(32-30-25)18-33-26-29-28-23(17-14-20-8-4-2-5-9-20)31(26)22-10-6-3-7-11-22/h2-13,15-16H,14,17-18H2,1H3","XWNIJANSHVBAPT-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14336",12220,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM68079","Cc1ccc(cc1)-n1c(Cl)c(Cl)nc(Cl)c1=O","InChI=1S/C11H7Cl3N2O/c1-6-2-4-7(5-3-6)16-10(14)8(12)15-9(13)11(16)17/h2-5H,1H3","XSWVBZHBJKXQMC-UHFFFAOYSA-N",null,10084]
["D14337",11976,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43109","Cc1ccc(cc1)-n1c(O)c2CCC(Cc2c1O)c1ccccc1","InChI=1S/C21H21NO2/c1-14-7-10-17(11-8-14)22-20(23)18-12-9-16(13-19(18)21(22)24)15-5-3-2-4-6-15/h2-8,10-11,16,23-24H,9,12-13H2,1H3","UWQLKPTUUNSGBL-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14338",25924,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM13533","Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C","InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)","MVCOAUNKQVWQHZ-UHFFFAOYSA-N",null,null,">10000"]
["D14339",11839,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42992","Cc1ccc(cc1)-n1nccc1-c1cc(Cl)sc1Cl","InChI=1S/C14H10Cl2N2S/c1-9-2-4-10(5-3-9)18-12(6-7-17-18)11-8-13(15)19-14(11)16/h2-8H,1H3","VWUWSESNZORTFK-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14340",4319,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66417","Cc1ccc(cc1)C(=O)COC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc2ncccc12","InChI=1S/C27H18N2O5/c1-16-7-9-17(10-8-16)24(30)15-34-27(33)18-11-12-19-21(14-18)26(32)29(25(19)31)23-6-2-5-22-20(23)4-3-13-28-22/h2-14H,15H2,1H3","QDJKPFAUXINJBJ-UHFFFAOYSA-N",{"$nulls":3},40550]
["D14341",354,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81906","Cc1ccc(cc1)C(=O)CSc1nnc(COc2ccc3ccccc3c2)o1","InChI=1S/C22H18N2O3S/c1-15-6-8-17(9-7-15)20(25)14-28-22-24-23-21(27-22)13-26-19-11-10-16-4-2-3-5-18(16)12-19/h2-12H,13-14H2,1H3","CTYSPWAJMNQYOQ-UHFFFAOYSA-N",1900]
["D14342",13560,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19245909","Cc1ccc(cc1)C(=O)CSc1nnc(COc2ccc3ccccc3c2)o2","InChI=1S/C22H18N2O3S/c1-15-6-8-17(9-7-15)20(25)14-28-22-24-23-21(27-22)13-26-19-11-10-16-4-2-3-5-18(16)12-19/h2-12H,13-14H2,1H4","CTYSPWAJMNQYOQ-UHFFFAOYSA-N",-1328.52691433581,-135446.92212838,33581.0899992359,{"$nulls":3},6.73724445761697]
["D14343",362,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM47512","Cc1ccc(cc1)C(=O)CSc1nnc(COc2cccc3cccnc23)o1","InChI=1S/C21H17N3O3S/c1-14-7-9-15(10-8-14)17(25)13-28-21-24-23-19(27-21)12-26-18-6-2-4-16-5-3-11-22-20(16)18/h2-11H,12-13H2,1H3","BLNVPVBRBVPWPF-UHFFFAOYSA-N",50000]
["D14344",13568,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19247470","Cc1ccc(cc1)C(=O)CSc1nnc(COc2cccc3cccnc23)o2","InChI=1S/C21H17N3O3S/c1-14-7-9-15(10-8-14)17(25)13-28-21-24-23-19(27-21)12-26-18-6-2-4-16-5-3-11-22-20(16)18/h2-11H,12-13H2,1H4","BLNVPVBRBVPWPF-UHFFFAOYSA-N",-2145.80998336741,-153379.297700942,33586.1659127998,{"$nulls":3},6.73724798859171]
["D14345",12041,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43172","Cc1ccc(cc1)C(=O)Nc1ccc(cc1)N1CCCC1","InChI=1S/C18H20N2O/c1-14-4-6-15(7-5-14)18(21)19-16-8-10-17(11-9-16)20-12-2-3-13-20/h4-11H,2-3,12-13H2,1H3,(H,19,21)","WSRPJNIWZJGTDS-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14346",4730,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66655","Cc1ccc(cc1)C(=O)Nc1ccc(nc1N1CCOCC1)N1CCOCC1","InChI=1S/C21H26N4O3/c1-16-2-4-17(5-3-16)21(26)22-18-6-7-19(24-8-12-27-13-9-24)23-20(18)25-10-14-28-15-11-25/h2-7H,8-15H2,1H3,(H,22,26)","BCZOVWQMQJBSST-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14347",12245,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM48261","Cc1ccc(cc1)C(=O)Nc1cnc2ccccc2c1","InChI=1S/C17H14N2O/c1-12-6-8-13(9-7-12)17(20)19-15-10-14-4-2-3-5-16(14)18-11-15/h2-11H,1H3,(H,19,20)","GPHWKSMAPBOQQE-UHFFFAOYSA-N",null,12027]
["D14348",17634,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205229","Cc1ccc(cc1)C(=O)Nc1sc(nc1C(N)=O)-c1ccncc1","InChI=1S/C17H14N4O2S/c1-10-2-4-11(5-3-10)15(23)21-17-13(14(18)22)20-16(24-17)12-6-8-19-9-7-12/h2-9H,1H3,(H2,18,22)(H,21,23)","HCRZWDGAZRWFKY-UHFFFAOYSA-N",null,10000,{"$nulls":4},7.5,"30.00 C"]
["D14349",4499,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66466","Cc1ccc(cc1)C(=O)\\C=C/C(=O)c1ccc(C)cc1","InChI=1S/C18H16O2/c1-13-3-7-15(8-4-13)17(19)11-12-18(20)16-9-5-14(2)6-10-16/h3-12H,1-2H3/b12-11-","XHTZEZLDTOKEGI-QXMHVHEDSA-N",{"$nulls":3},43360]
["D14350",4655,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM57953","Cc1ccc(cc1)C(=O)\\C=C\\C(=O)c1ccc(C)cc1","InChI=1S/C18H16O2/c1-13-3-7-15(8-4-13)17(19)11-12-18(20)16-9-5-14(2)6-10-16/h3-12H,1-2H3/b12-11+","XHTZEZLDTOKEGI-VAWYXSNFSA-N",{"$nulls":3},19440]
["D14351",4573,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66524","Cc1ccc(cc1)C(N(C(=O)Cc1cccs1)c1cccnc1)C(=O)NCc1ccco1","InChI=1S/C25H23N3O3S/c1-18-8-10-19(11-9-18)24(25(30)27-17-21-6-3-13-31-21)28(20-5-2-12-26-16-20)23(29)15-22-7-4-14-32-22/h2-14,16,24H,15,17H2,1H3,(H,27,30)","KJYMDKQDFKZZPB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14352",25976,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481488","Cc1ccc(cc1)C(N1CCN(CC1)C(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1","InChI=1S/C33H34N2O/c1-26-17-19-30(20-18-26)33(29-15-9-4-10-16-29)35-23-21-34(22-24-35)32(36)25-31(27-11-5-2-6-12-27)28-13-7-3-8-14-28/h2-20,31,33H,21-25H2,1H3","PVJNWPXQHNFPOR-UHFFFAOYSA-N",null,310]
["D14353",3852,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66778","Cc1ccc(cc1)C(O)(CCN1CCCCC1)c1ccccc1","InChI=1S/C21H27NO/c1-18-10-12-20(13-11-18)21(23,19-8-4-2-5-9-19)14-17-22-15-6-3-7-16-22/h2,4-5,8-13,23H,3,6-7,14-17H2,1H3","NFQNJBIQNAMAAK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14354",4288,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66392","Cc1ccc(cc1)C1(CC1C(=O)Nc1ccc(cc1O)[N+]([O-])=O)c1ccc(C)cc1","InChI=1S/C24H22N2O4/c1-15-3-7-17(8-4-15)24(18-9-5-16(2)6-10-18)14-20(24)23(28)25-21-12-11-19(26(29)30)13-22(21)27/h3-13,20,27H,14H2,1-2H3,(H,25,28)","PSPYSXQQDKBXKX-UHFFFAOYSA-N",{"$nulls":3},40120]
["D14355",31687,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43529","Cc1ccc(cc1)C1=NNC(c2ccncc2)=c2ccc3ccccc3c2=N1","InChI=1S/C24H18N4/c1-16-6-8-19(9-7-16)24-26-23-20-5-3-2-4-17(20)10-11-21(23)22(27-28-24)18-12-14-25-15-13-18/h2-15,27H,1H3","RWSZOKCHOYUFEH-UHFFFAOYSA-N",null,3517]
["D14356",3816,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66746","Cc1ccc(cc1)N(Cc1cc(=O)[nH]c2ccccc12)C(=O)CCl","InChI=1S/C19H17ClN2O2/c1-13-6-8-15(9-7-13)22(19(24)11-20)12-14-10-18(23)21-17-5-3-2-4-16(14)17/h2-10H,11-12H2,1H3,(H,21,23)","WAEFHCKRBYJCQP-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14357",32301,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446032","Cc1ccc(cc1)N1CCN(CC1)C(=O)N1CCOCC1","InChI=1S/C16H23N3O2/c1-14-2-4-15(5-3-14)17-6-8-18(9-7-17)16(20)19-10-12-21-13-11-19/h2-5H,6-13H2,1H3","YUVYKZDXOQTEHV-UHFFFAOYSA-N",null,">30000"]
["D14358",4785,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66704","Cc1ccc(cc1)N1CCN(CC1)C(=S)Nc1ccccc1C","InChI=1S/C19H23N3S/c1-15-7-9-17(10-8-15)21-11-13-22(14-12-21)19(23)20-18-6-4-3-5-16(18)2/h3-10H,11-14H2,1-2H3,(H,20,23)","KHYIBZGVCVTATG-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14359",11881,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43030","Cc1ccc(cc1)N=Nc1c(N)n([nH]c1=O)-c1ccccc1","InChI=1S/C16H15N5O/c1-11-7-9-12(10-8-11)18-19-14-15(17)21(20-16(14)22)13-5-3-2-4-6-13/h2-10H,17H2,1H3,(H,20,22)","LWMJYCGEGQNFJO-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14360",12342,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87332","Cc1ccc(cc1)N=Nc1ccc2ccccc2c1O","InChI=1S/C17H14N2O/c1-12-6-9-14(10-7-12)18-19-16-11-8-13-4-2-3-5-15(13)17(16)20/h2-11,20H,1H3","MKQFEBQHAPAJFM-UHFFFAOYSA-N",null,">35890"]
["D14361",4422,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66337","Cc1ccc(cc1)S(=O)(=O)CC#CCOC(=O)c1ccc(cc1)[N+]([O-])=O","InChI=1S/C18H15NO6S/c1-14-4-10-17(11-5-14)26(23,24)13-3-2-12-25-18(20)15-6-8-16(9-7-15)19(21)22/h4-11H,12-13H2,1H3","XFUYNASYVIGKBI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14362",31676,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50382463","Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)C(=O)OC(C)(C)C","InChI=1S/C34H40N2O8S/c1-23-10-17-28(18-11-23)45(42,43)36(33(41)44-34(2,3)4)22-31(38)35(27-16-19-29(32(39)40)30(37)20-27)21-24-12-14-26(15-13-24)25-8-6-5-7-9-25/h10-20,25,37H,5-9,21-22H2,1-4H3,(H,39,40)","PZIAIBCFVUIGPT-UHFFFAOYSA-N",">25000"]
["D14363",31692,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50440967","Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)Cc1ccccc1C(F)(F)F","InChI=1S/C37H37F3N2O6S/c1-25-11-18-31(19-12-25)49(47,48)41(23-29-9-5-6-10-33(29)37(38,39)40)24-35(44)42(30-17-20-32(36(45)46)34(43)21-30)22-26-13-15-28(16-14-26)27-7-3-2-4-8-27/h5-6,9-21,27,43H,2-4,7-8,22-24H2,1H3,(H,45,46)","GFASCHAWPQEYTQ-UHFFFAOYSA-N",null,5800]
["D14364",31679,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50382464","Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N(Cc1ccccc1)c1ccc(C(O)=O)c(O)c1)C(=O)OC(C)(C)C","InChI=1S/C28H30N2O8S/c1-19-10-13-22(14-11-19)39(36,37)30(27(35)38-28(2,3)4)18-25(32)29(17-20-8-6-5-7-9-20)21-12-15-23(26(33)34)24(31)16-21/h5-16,31H,17-18H2,1-4H3,(H,33,34)","VZOHGLKGQFRDHD-UHFFFAOYSA-N",">25000"]
["D14365",31698,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43521","Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(C(=O)Nc1ccc(F)cc1)c1ccccc1","InChI=1S/C25H26FN3O3S/c1-19-7-13-23(14-8-19)33(31,32)29-17-15-28(16-18-29)24(20-5-3-2-4-6-20)25(30)27-22-11-9-21(26)10-12-22/h2-14,24H,15-18H2,1H3,(H,27,30)","DWQZVNMOZYKLSJ-UHFFFAOYSA-N",null,7874]
["D14366",12001,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43133","Cc1ccc(cc1)S(=O)(=O)NC(=O)COc1ccccc1","InChI=1S/C15H15NO4S/c1-12-7-9-14(10-8-12)21(18,19)16-15(17)11-20-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,16,17)","PAEAZBRZRLRWIS-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14367",4251,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66252","Cc1ccc(cc1)S(=O)(=O)NCC(=O)OC1CCOC1=O","InChI=1S/C13H15NO6S/c1-9-2-4-10(5-3-9)21(17,18)14-8-12(15)20-11-6-7-19-13(11)16/h2-5,11,14H,6-8H2,1H3","FXHQSACKEFQWDT-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14368",4380,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66308","Cc1ccc(cc1)S(=O)(=O)NCCN1CCOCC1","InChI=1S/C13H20N2O3S/c1-12-2-4-13(5-3-12)19(16,17)14-6-7-15-8-10-18-11-9-15/h2-5,14H,6-11H2,1H3","CLFKGZNVORYRJW-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14369",31293,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1","Mus musculus","BDBM20283","Cc1ccc(cc1)S(=O)(=O)OCC(=O)Nc1ccc(C(O)=O)c(O)c1","InChI=1S/C16H15NO7S/c1-10-2-5-12(6-3-10)25(22,23)24-9-15(19)17-11-4-7-13(16(20)21)14(18)8-11/h2-8,18H,9H2,1H3,(H,17,19)(H,20,21)","HWNUSGNZBAISFM-UHFFFAOYSA-N",null,">300000"]
["D14370",4497,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66464","Cc1ccc(cc1)S(=O)(=O)c1nnn2c1nc(Nc1cccc(C)c1)c1ccccc21","InChI=1S/C23H19N5O2S/c1-15-10-12-18(13-11-15)31(29,30)23-22-25-21(24-17-7-5-6-16(2)14-17)19-8-3-4-9-20(19)28(22)27-26-23/h3-14H,1-2H3,(H,24,25)","MNMDRPHWUXEJIT-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14371",4134,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67020","Cc1ccc(cc1)S(=O)(=O)n1cc(-c2ccccc2)c2ccccc12","InChI=1S/C21H17NO2S/c1-16-11-13-18(14-12-16)25(23,24)22-15-20(17-7-3-2-4-8-17)19-9-5-6-10-21(19)22/h2-15H,1H3","USCFLFQFEHGOSL-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14372",3829,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66757","Cc1ccc(cc1)S(=O)(=O)n1ccc2c(OCCOCCNCc3ccc(F)cc3)cccc12","InChI=1S/C26H27FN2O4S/c1-20-5-11-23(12-6-20)34(30,31)29-15-13-24-25(29)3-2-4-26(24)33-18-17-32-16-14-28-19-21-7-9-22(27)10-8-21/h2-13,15,28H,14,16-19H2,1H3","GDLPSJUKKQLBAU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14373",17637,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50346918","Cc1ccc(cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O)C(=O)NCCO","InChI=1S/C21H18ClF2N3O4/c1-12-2-3-13(19(29)25-6-7-28)8-17(12)27-11-26-20(18(22)21(27)30)31-10-14-4-5-15(23)9-16(14)24/h2-5,8-9,11,28H,6-7,10H2,1H3,(H,25,29)","XIPYKUQAZQIESI-UHFFFAOYSA-N",null,">10000"]
["D14374",15958,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276883","Cc1ccc(cc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C25H22N4O/c1-17-2-3-19(14-20(17)16-26)22-8-9-27-25-23(22)15-24(28-25)18-4-6-21(7-5-18)29-10-12-30-13-11-29/h2-9,14-15H,10-13H2,1H3,(H,27,28)","ORKMHOLFDDGPCC-UHFFFAOYSA-N",null,79.7,{"$nulls":4},7]
["D14375",4118,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67004","Cc1ccc(cc1C(=O)NCc1ccccc1CN1CCCC1)S(=O)(=O)N1CCCC1","InChI=1S/C24H31N3O3S/c1-19-10-11-22(31(29,30)27-14-6-7-15-27)16-23(19)24(28)25-17-20-8-2-3-9-21(20)18-26-12-4-5-13-26/h2-3,8-11,16H,4-7,12-15,17-18H2,1H3,(H,25,28)","PTFIDPVNFKUGMI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14376",31691,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43512","Cc1ccc(cc1C)-n1nc(C(O)=O)c2ccccc2c1=O","InChI=1S/C17H14N2O3/c1-10-7-8-12(9-11(10)2)19-16(20)14-6-4-3-5-13(14)15(18-19)17(21)22/h3-9H,1-2H3,(H,21,22)","ACAKETVNLPNBBN-UHFFFAOYSA-N",null,5195]
["D14377",4049,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM58855","Cc1ccc(cc1C)C(=O)Nc1nnc(o1)C1=COCCO1","InChI=1S/C15H15N3O4/c1-9-3-4-11(7-10(9)2)13(19)16-15-18-17-14(22-15)12-8-20-5-6-21-12/h3-4,7-8H,5-6H2,1-2H3,(H,16,18,19)","JVLBJDLWFHAZCE-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14378",12370,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM39443","Cc1ccc(cc1C)C(=O)Nc1nnc(s1)-c1cccs1","InChI=1S/C15H13N3OS2/c1-9-5-6-11(8-10(9)2)13(19)16-15-18-17-14(21-15)12-4-3-7-20-12/h3-8H,1-2H3,(H,16,18,19)","ROWBKNSALOBOBL-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14379",12205,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM70774","Cc1ccc(cc1C)N(CCC#N)C(=O)CCl","InChI=1S/C13H15ClN2O/c1-10-4-5-12(8-11(10)2)16(7-3-6-15)13(17)9-14/h4-5,8H,3,7,9H2,1-2H3","QJDWWNYLGUJMCH-UHFFFAOYSA-N",null,8636]
["D14380",3495,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565028","Cc1ccc(cc1C1CCc2c(C1)cnn(-c1ncccn1)c2=O)N1CCCC1","InChI=1S/C23H25N5O/c1-16-5-7-19(27-11-2-3-12-27)14-21(16)17-6-8-20-18(13-17)15-26-28(22(20)29)23-24-9-4-10-25-23/h4-5,7,9-10,14-15,17H,2-3,6,8,11-13H2,1H3","INXKYHUDEDRMMR-UHFFFAOYSA-N",null,"<500"]
["D14381",31873,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67123","Cc1ccc(cc1Cl)-n1nc(C(O)=O)c2ccccc2c1=O","InChI=1S/C16H11ClN2O3/c1-9-6-7-10(8-13(9)17)19-15(20)12-5-3-2-4-11(12)14(18-19)16(21)22/h2-8H,1H3,(H,21,22)","QKDNCATVKRTYHM-UHFFFAOYSA-N",null,32269]
["D14382",12060,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM59531","Cc1ccc(cc1F)\\N=c1\\c(nn(-c2ccc3OCCOc3c2)n1O)[N+]([O-])=O","InChI=1S/C17H14FN5O5/c1-10-2-3-11(8-13(10)18)19-16-17(23(25)26)20-21(22(16)24)12-4-5-14-15(9-12)28-7-6-27-14/h2-5,8-9,24H,6-7H2,1H3/b19-16-","BQFQOFXRMVHCMT-MNDPQUGUSA-N",null,3236]
["D14383",31702,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50000029","Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O","InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/p-6","FIAFUQMPZJWCLV-UHFFFAOYSA-H",null,9100]
["D14384",463,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326384","Cc1ccc(nc1)-n1cnc(c1)C1(CC1CCCN)C(O)=O","InChI=1S/C16H20N4O2/c1-11-4-5-14(18-8-11)20-9-13(19-10-20)16(15(21)22)7-12(16)3-2-6-17/h4-5,8-10,12H,2-3,6-7,17H2,1H3,(H,21,22)","ZPFMNMNWJGHXRK-UHFFFAOYSA-N",null,18]
["D14385",3552,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564971","Cc1ccc(nc1)-n1ncc2CC(CCc2c1=O)c1ccc(C)cc1C","InChI=1S/C22H23N3O/c1-14-4-7-19(16(3)10-14)17-6-8-20-18(11-17)13-24-25(22(20)26)21-9-5-15(2)12-23-21/h4-5,7,9-10,12-13,17H,6,8,11H2,1-3H3","XGTMTCNSPJKBTP-UHFFFAOYSA-N",null,"<500"]
["D14386",31809,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM39043","Cc1ccc(nc1)N1C(O)c2ccccc2C1=O","InChI=1S/C14H12N2O2/c1-9-6-7-12(15-8-9)16-13(17)10-4-2-3-5-11(10)14(16)18/h2-8,13,17H,1H3","IOFPIPAAYHPSKO-UHFFFAOYSA-N",null,12910]
["D14387",12279,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM54257","Cc1ccc(o1)C1=NN(C(C1)c1cccs1)C(=O)CCl","InChI=1S/C14H13ClN2O2S/c1-9-4-5-12(19-9)10-7-11(13-3-2-6-20-13)17(16-10)14(18)8-15/h2-6,11H,7-8H2,1H3","ISRQYFYSTSQAMW-UHFFFAOYSA-N",null,24085]
["D14388",16251,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209640","Cc1ccc(s1)-c1cnc(N)c(c1)C(=O)Nc1ccncc1","InChI=1S/C16H14N4OS/c1-10-2-3-14(22-10)11-8-13(15(17)19-9-11)16(21)20-12-4-6-18-7-5-12/h2-9H,1H3,(H2,17,19)(H,18,20,21)","UEESRKKBPBMNHE-UHFFFAOYSA-N",null,120,{"$nulls":4},7.5,"30.00 C"]
["D14389",31736,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43676","Cc1ccc(s1)C(=O)Nc1nc2ccccc2s1","InChI=1S/C13H10N2OS2/c1-8-6-7-11(17-8)12(16)15-13-14-9-4-2-3-5-10(9)18-13/h2-7H,1H3,(H,14,15,16)","IVAQBRLWAHPZPQ-UHFFFAOYSA-N",{"$nulls":3},">76.39"]
["D14390",25690,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50473094","Cc1ccc-2c(Cc3cc(C[n+]4ccc(NCCCCCCCCCCNc5cc[n+](C)c6ccccc56)c5ccccc45)ccc-23)c1","InChI=1S/C44H48N4/c1-33-19-21-37-35(29-33)31-36-30-34(20-22-38(36)37)32-48-28-24-42(40-16-10-12-18-44(40)48)46-26-14-8-6-4-3-5-7-13-25-45-41-23-27-47(2)43-17-11-9-15-39(41)43/h9-12,15-24,27-30H,3-8,13-14,25-26,31-32H2,1-2H3/p+2","LXKXLBOARNGCJN-UHFFFAOYSA-P",null,90]
["D14391",28741,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50275089","Cc1ccc2CCCC(Nc3nc4ccccc4[nH]3)c2c1","InChI=1S/C18H19N3/c1-12-9-10-13-5-4-8-15(14(13)11-12)19-18-20-16-6-2-3-7-17(16)21-18/h2-3,6-7,9-11,15H,4-5,8H2,1H3,(H2,19,20,21)","UEARXLWOYGSDGS-UHFFFAOYSA-N",null,null,20]
["D14392",32363,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396650","Cc1ccc2CCN(Cc2c1)S(=O)(=O)c1cccc(c1)C(O)=O","InChI=1S/C17H17NO4S/c1-12-5-6-13-7-8-18(11-15(13)9-12)23(21,22)16-4-2-3-14(10-16)17(19)20/h2-6,9-10H,7-8,11H2,1H3,(H,19,20)","OLWOCZFUTMSJAT-UHFFFAOYSA-N",null,">30000"]
["D14393",32265,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396655","Cc1ccc2CN(CCc2c1)S(=O)(=O)c1cccc(c1)C(O)=O","InChI=1S/C17H17NO4S/c1-12-5-6-15-11-18(8-7-13(15)9-12)23(21,22)16-4-2-3-14(10-16)17(19)20/h2-6,9-10H,7-8,11H2,1H3,(H,19,20)","XGMKWMWAALBPET-UHFFFAOYSA-N",null,">30000"]
["D14394",4173,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67056","Cc1ccc2N(Cc3ccc(Br)cc3)C(=O)C(=O)c2c1","InChI=1S/C16H12BrNO2/c1-10-2-7-14-13(8-10)15(19)16(20)18(14)9-11-3-5-12(17)6-4-11/h2-8H,9H2,1H3","MHNHNRZYXRGIGR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14395",4174,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67057","Cc1ccc2N(Cc3ccc(Cl)cc3)C(=O)C(=O)c2c1","InChI=1S/C16H12ClNO2/c1-10-2-7-14-13(8-10)15(19)16(20)18(14)9-11-3-5-12(17)6-4-11/h2-8H,9H2,1H3","VSQRATQPXJILRW-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14396",14377,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Myosin-2 heavy chain","Dictyostelium discoideum","BDM50449472","Cc1ccc2N=C3N(CCC3(O)C(=O)c2c1)c1ccccc1","InChI=1S/C18H16N2O2/c1-12-7-8-15-14(11-12)16(21)18(22)9-10-20(17(18)19-15)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3","LZAXPYOBKSJSEX-UHFFFAOYSA-N",null,4900]
["D14397",14375,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Myosin-2 heavy chain","Dictyostelium discoideum","BDM50449473","Cc1ccc2N=C3N(CC[C@@]3(O)C(=O)c2c1)c1ccc(Cl)cc1","InChI=1S/C18H15ClN2O2/c1-11-2-7-15-14(10-11)16(22)18(23)8-9-21(17(18)20-15)13-5-3-12(19)4-6-13/h2-7,10,23H,8-9H2,1H3/t18-/m1/s1","DHAADFMSKONJNO-GOSISDBHSA-N",null,1900]
["D14398",14378,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Myosin-2 heavy chain","Dictyostelium discoideum","BDM50449474","Cc1ccc2N=C3N(CC[C@@]3(O)C(=O)c2c1)c1ccc(cc1)N=[N+]=[N-]","InChI=1S/C18H15N5O2/c1-11-2-7-15-14(10-11)16(24)18(25)8-9-23(17(18)20-15)13-5-3-12(4-6-13)21-22-19/h2-7,10,25H,8-9H2,1H3/t18-/m1/s1","BJOZZMIAIXTDEI-GOSISDBHSA-N",null,5200]
["D14399",14376,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Myosin-2 heavy chain","Dictyostelium discoideum","BDM50449475","Cc1ccc2N=C3N(CC[C@@]3(O)C(=O)c2c1)c1ccc(cc1)[N+]([O-])=O","InChI=1S/C18H15N3O4/c1-11-2-7-15-14(10-11)16(22)18(23)8-9-20(17(18)19-15)12-3-5-13(6-4-12)21(24)25/h2-7,10,23H,8-9H2,1H3/t18-/m1/s1","KAUXNLHXGQGFOS-GOSISDBHSA-N",null,2300]
["D14400",4772,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66692","Cc1ccc2[nH]c3C(CCCc3c2c1)NC(=O)CCl","InChI=1S/C15H17ClN2O/c1-9-5-6-12-11(7-9)10-3-2-4-13(15(10)18-12)17-14(19)8-16/h5-7,13,18H,2-4,8H2,1H3,(H,17,19)","CCDQWKGFAZYRLI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14401",32031,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43503","Cc1ccc2[nH]c3c(ncnc3c2c1)N1CCN(Cc2ccccc2)CC1","InChI=1S/C22H23N5/c1-16-7-8-19-18(13-16)20-21(25-19)22(24-15-23-20)27-11-9-26(10-12-27)14-17-5-3-2-4-6-17/h2-8,13,15,25H,9-12,14H2,1H3","VCOWTYMXDKKCRD-UHFFFAOYSA-N",null,">55700"]
["D14402",31876,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50103646","Cc1ccc2c(C)nc(Nc3nc(=O)c(C)c(C)[nH]3)nc2c1","InChI=1S/C16H17N5O/c1-8-5-6-12-11(4)18-15(19-13(12)7-8)21-16-17-10(3)9(2)14(22)20-16/h5-7H,1-4H3,(H2,17,18,19,20,21,22)","BYZNOMUZAWIDAN-UHFFFAOYSA-N",null,35200]
["D14403",31878,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50103649","Cc1ccc2c(C)nc(Nc3nc(=O)cc(C)[nH]3)nc2c1","InChI=1S/C15H15N5O/c1-8-4-5-11-10(3)17-15(18-12(11)6-8)20-14-16-9(2)7-13(21)19-14/h4-7H,1-3H3,(H2,16,17,18,19,20,21)","PMJSZWUAOZHRJI-UHFFFAOYSA-N",null,39700]
["D14404",32103,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46393","Cc1ccc2c(C)nc(Nc3nc(CSc4nc5ccccc5[nH]4)cc(=O)[nH]3)nc2c1","InChI=1S/C22H19N7OS/c1-12-7-8-15-13(2)23-20(25-18(15)9-12)29-21-24-14(10-19(30)28-21)11-31-22-26-16-5-3-4-6-17(16)27-22/h3-10H,11H2,1-2H3,(H,26,27)(H2,23,24,25,28,29,30)","XWWORBHMPHQORH-UHFFFAOYSA-N",null,">55700"]
["D14405",4588,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66538","Cc1ccc2c(cc(nc2c1C)-c1cccnc1)C(=O)N1CCN(CC1)c1ccccc1","InChI=1S/C27H26N4O/c1-19-10-11-23-24(17-25(29-26(23)20(19)2)21-7-6-12-28-18-21)27(32)31-15-13-30(14-16-31)22-8-4-3-5-9-22/h3-12,17-18H,13-16H2,1-2H3","JCTUXAQXOAUKHI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14406",3611,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565039","Cc1ccc2n(C)ncc2c1C1CCc2c(C1)cnn(-c1ncccn1)c2=O","InChI=1S/C21H20N6O/c1-13-4-7-18-17(12-24-26(18)2)19(13)14-5-6-16-15(10-14)11-25-27(20(16)28)21-22-8-3-9-23-21/h3-4,7-9,11-12,14H,5-6,10H2,1-2H3","IEXZZKHRCMJBRN-UHFFFAOYSA-N",null,15500]
["D14407",11916,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43062","Cc1ccc2nc(SCC(=O)NCc3cccs3)c(cc2c1)C#N","InChI=1S/C18H15N3OS2/c1-12-4-5-16-13(7-12)8-14(9-19)18(21-16)24-11-17(22)20-10-15-3-2-6-23-15/h2-8H,10-11H2,1H3,(H,20,22)","ZDEDIPHZBVIJOT-UHFFFAOYSA-N",{"$nulls":3},20800]
["D14408",12123,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM36905","Cc1ccc2nc(c(C#N)c(N)c2c1)C(F)(F)F","InChI=1S/C12H8F3N3/c1-6-2-3-9-7(4-6)10(17)8(5-16)11(18-9)12(13,14)15/h2-4H,1H3,(H2,17,18)","WDVGRZJJCSPCDM-UHFFFAOYSA-N",null,5127]
["D14409",12258,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87303","Cc1ccc2nc(c(NC3CCCC3)n2c1)-c1ccncc1","InChI=1S/C18H20N4/c1-13-6-7-16-21-17(14-8-10-19-11-9-14)18(22(16)12-13)20-15-4-2-3-5-15/h6-12,15,20H,2-5H2,1H3","AHJWIIYRDPNTIG-UHFFFAOYSA-N",null,15065]
["D14410",32021,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67129","Cc1ccc2oc(=O)cc(CSc3nc(-c4ccccc4)c4ccccc4n3)c2c1","InChI=1S/C25H18N2O2S/c1-16-11-12-22-20(13-16)18(14-23(28)29-22)15-30-25-26-21-10-6-5-9-19(21)24(27-25)17-7-3-2-4-8-17/h2-14H,15H2,1H3","BAUZVVLOCNBQGR-UHFFFAOYSA-N",null,">55690"]
["D14411",12161,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87320","Cc1ccc2occ(\\C=N\\NC(=O)[C@@H](N)Cc3ccccc3)c(=O)c2c1","InChI=1S/C20H19N3O3/c1-13-7-8-18-16(9-13)19(24)15(12-26-18)11-22-23-20(25)17(21)10-14-5-3-2-4-6-14/h2-9,11-12,17H,10,21H2,1H3,(H,23,25)/b22-11+/t17-/m0/s1","LNGPGGKAHHLQGF-CBVHTYNASA-N",null,6904]
["D14412",12271,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87348","Cc1ccc2occ(\\C=N\\NC(=O)c3ccccc3Br)c(=O)c2c1","InChI=1S/C18H13BrN2O3/c1-11-6-7-16-14(8-11)17(22)12(10-24-16)9-20-21-18(23)13-4-2-3-5-15(13)19/h2-10H,1H3,(H,21,23)/b20-9+","KLCOAOOXTJJSMB-AWQFTUOYSA-N",null,19013]
["D14413",3870,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66017","Cc1cccc(C)c1NC(=O)C(Cl)C(=O)c1ccccc1","InChI=1S/C17H16ClNO2/c1-11-7-6-8-12(2)15(11)19-17(21)14(18)16(20)13-9-4-3-5-10-13/h3-10,14H,1-2H3,(H,19,21)","FPMBWSWPBUTVSU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14414",3965,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66872","Cc1cccc(C)c1NC(=O)CS(=O)CC(=O)N1CCN(CC1)c1ccccc1","InChI=1S/C22H27N3O3S/c1-17-7-6-8-18(2)22(17)23-20(26)15-29(28)16-21(27)25-13-11-24(12-14-25)19-9-4-3-5-10-19/h3-10H,11-16H2,1-2H3,(H,23,26)","FVKYOLLQJWITEP-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14415",3771,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66380","Cc1cccc(C)c1NC(=O)CSc1nc(C)c(CC(=O)c2ccc(Br)cc2)c(C)c1C#N","InChI=1S/C26H24BrN3O2S/c1-15-6-5-7-16(2)25(15)30-24(32)14-33-26-22(13-28)17(3)21(18(4)29-26)12-23(31)19-8-10-20(27)11-9-19/h5-11H,12,14H2,1-4H3,(H,30,32)","XHNFTZVYDDTXBO-UHFFFAOYSA-N",{"$nulls":3},30210]
["D14416",32081,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46368","Cc1cccc(C)c1NC(=O)N1CCN(CC1)c1nc2ccccc2s1","InChI=1S/C20H22N4OS/c1-14-6-5-7-15(2)18(14)22-19(25)23-10-12-24(13-11-23)20-21-16-8-3-4-9-17(16)26-20/h3-9H,10-13H2,1-2H3,(H,22,25)","OVKRHBNOCCTYSM-UHFFFAOYSA-N",null,">55700"]
["D14417",4788,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66707","Cc1cccc(C)c1NC(=O)c1cnccn1","InChI=1S/C13H13N3O/c1-9-4-3-5-10(2)12(9)16-13(17)11-8-14-6-7-15-11/h3-8H,1-2H3,(H,16,17)","VGYNIOSTZKBKNR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14418",4507,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66472","Cc1cccc(C)c1NC(=S)Nc1ccccc1C(=O)NCc1ccco1","InChI=1S/C21H21N3O2S/c1-14-7-5-8-15(2)19(14)24-21(27)23-18-11-4-3-10-17(18)20(25)22-13-16-9-6-12-26-16/h3-12H,13H2,1-2H3,(H,22,25)(H2,23,24,27)","JVRROQWQRJGPOV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14419",12280,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87340","Cc1cccc(C)c1NS(=O)(=O)c1ccc(cc1)-c1cnc(o1)C1CC1","InChI=1S/C20H20N2O3S/c1-13-4-3-5-14(2)19(13)22-26(23,24)17-10-8-15(9-11-17)18-12-21-20(25-18)16-6-7-16/h3-5,8-12,16,22H,6-7H2,1-2H3","AKROVYBNGSRKJL-UHFFFAOYSA-N",null,24777]
["D14420",4343,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66283","Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2nccs2)n1-c1ccccc1","InChI=1S/C22H21N5O2S2/c1-15-7-6-8-16(2)20(15)29-13-18-25-26-22(27(18)17-9-4-3-5-10-17)31-14-19(28)24-21-23-11-12-30-21/h3-12H,13-14H2,1-2H3,(H,23,24,28)","YGPDMWRUOBOFPO-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14421",3577,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565033","Cc1cccc(C2CCc3c(C2)cnn(-c2ncccn2)c3=O)c1C","InChI=1S/C20H20N4O/c1-13-5-3-6-17(14(13)2)15-7-8-18-16(11-15)12-23-24(19(18)25)20-21-9-4-10-22-20/h3-6,9-10,12,15H,7-8,11H2,1-2H3","PMNGJJFLIQOUND-UHFFFAOYSA-N",null,750]
["D14422",4286,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66391","Cc1cccc(C=NNC(=O)c2cc3CCc4ccccc4-c3s2)c1","InChI=1S/C21H18N2OS/c1-14-5-4-6-15(11-14)13-22-23-21(24)19-12-17-10-9-16-7-2-3-8-18(16)20(17)25-19/h2-8,11-13H,9-10H2,1H3,(H,23,24)","QLNBBJPZXKTDNN-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14423",32343,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396710","Cc1cccc(CCNS(=O)(=O)c2cccc(c2)C(O)=O)c1","InChI=1S/C16H17NO4S/c1-12-4-2-5-13(10-12)8-9-17-22(20,21)15-7-3-6-14(11-15)16(18)19/h2-7,10-11,17H,8-9H2,1H3,(H,18,19)","NXBYGTGYLDWXGO-UHFFFAOYSA-N",null,">30000"]
["D14424",12293,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM54258","Cc1cccc(CN2CCN(CC2)C(=O)CCl)c1","InChI=1S/C14H19ClN2O/c1-12-3-2-4-13(9-12)11-16-5-7-17(8-6-16)14(18)10-15/h2-4,9H,5-8,10-11H2,1H3","DVBSBXBABNLMIS-UHFFFAOYSA-N",null,">35855"]
["D14425",28453,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50275850","Cc1cccc(CNc2cc(Cl)nc3ccnn23)c1","InChI=1S/C14H13ClN4/c1-10-3-2-4-11(7-10)9-16-14-8-12(15)18-13-5-6-17-19(13)14/h2-8,16H,9H2,1H3","WGNZOTSHNADABT-UHFFFAOYSA-N",null,10700]
["D14426",12025,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43156","Cc1cccc(N(CC(=O)N2CCN(CC2)c2ccc(F)cc2)S(C)(=O)=O)c1C","InChI=1S/C21H26FN3O3S/c1-16-5-4-6-20(17(16)2)25(29(3,27)28)15-21(26)24-13-11-23(12-14-24)19-9-7-18(22)8-10-19/h4-10H,11-15H2,1-3H3","XXQXBBQSBMUQDW-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14427",3443,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Microtubule-associated protein tau","Bos taurus","BDBM142851","Cc1cccc(N2CCN(CC2)c2nc(cc(=O)n2C)-c2ncncc2F)c1C","InChI=1S/C21H23FN6O/c1-14-5-4-6-18(15(14)2)27-7-9-28(10-8-27)21-25-17(11-19(29)26(21)3)20-16(22)12-23-13-24-20/h4-6,11-13H,7-10H2,1-3H3","FDLAIOLJTJUIHP-UHFFFAOYSA-N",null,78.3,{"$nulls":4},6.5,"25.00 C"]
["D14428",4446,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66424","Cc1cccc(NC(=O)C(=C\\c2cn(CC(=O)NCc3ccco3)c3ccccc23)\\C#N)c1","InChI=1S/C26H22N4O3/c1-18-6-4-7-21(12-18)29-26(32)19(14-27)13-20-16-30(24-10-3-2-9-23(20)24)17-25(31)28-15-22-8-5-11-33-22/h2-13,16H,15,17H2,1H3,(H,28,31)(H,29,32)/b19-13+","DPRBGPIAKRWMHH-CPNJWEJPSA-N",{"$nulls":3},21730]
["D14429",4492,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66460","Cc1cccc(NC(=O)CCC(=O)NN=Cc2ccco2)c1C","InChI=1S/C17H19N3O3/c1-12-5-3-7-15(13(12)2)19-16(21)8-9-17(22)20-18-11-14-6-4-10-23-14/h3-7,10-11H,8-9H2,1-2H3,(H,19,21)(H,20,22)","LYBVTAQFLVUWPQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14430",3745,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66364","Cc1cccc(NC(=O)CSc2nc(C)c(CC(=O)c3ccc(Br)cc3)c(C)c2C#N)c1C","InChI=1S/C26H24BrN3O2S/c1-15-6-5-7-23(16(15)2)30-25(32)14-33-26-22(13-28)17(3)21(18(4)29-26)12-24(31)19-8-10-20(27)11-9-19/h5-11H,12,14H2,1-4H3,(H,30,32)","SLQQEMUKTPBLMH-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14431",12137,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87292","Cc1cccc(NC(=O)c2cc(Cl)ccc2[N+]([O-])=O)c1","InChI=1S/C14H11ClN2O3/c1-9-3-2-4-11(7-9)16-14(18)12-8-10(15)5-6-13(12)17(19)20/h2-8H,1H3,(H,16,18)","YSOMNKJQXKXVPD-UHFFFAOYSA-N",null,5609]
["D14432",31726,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43649","Cc1cccc(NC(=O)c2cc(ccc2Cl)[N+]([O-])=O)c1O","InChI=1S/C14H11ClN2O4/c1-8-3-2-4-12(13(8)18)16-14(19)10-7-9(17(20)21)5-6-11(10)15/h2-7,18H,1H3,(H,16,19)","BGULFGKRTYKBSQ-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D14433",4630,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66576","Cc1cccc(NC(=S)N(CC2CCC(CC2)C(O)=O)Cc2cccc(Br)c2)c1","InChI=1S/C23H27BrN2O2S/c1-16-4-2-7-21(12-16)25-23(29)26(15-18-5-3-6-20(24)13-18)14-17-8-10-19(11-9-17)22(27)28/h2-7,12-13,17,19H,8-11,14-15H2,1H3,(H,25,29)(H,27,28)","KQZLJMSSCBFKEM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14434",4778,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66697","Cc1cccc(NC(=S)NC2CCCC2)c1C","InChI=1S/C14H20N2S/c1-10-6-5-9-13(11(10)2)16-14(17)15-12-7-3-4-8-12/h5-6,9,12H,3-4,7-8H2,1-2H3,(H2,15,16,17)","IWVZCHCCOJIGPV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14435",4583,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66534","Cc1cccc(NC(=S)NCCc2ccc(F)cc2)c1C","InChI=1S/C17H19FN2S/c1-12-4-3-5-16(13(12)2)20-17(21)19-11-10-14-6-8-15(18)9-7-14/h3-9H,10-11H2,1-2H3,(H2,19,20,21)","NTNPMFLRHBRBGW-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14436",32389,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50134036","Cc1cccc(Nc2ccccc2C(O)=O)c1C","InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)","HYYBABOKPJLUIN-UHFFFAOYSA-N",null,">100000"]
["D14437",12193,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87266","Cc1cccc(Oc2sc(C(=O)c3ccccc3)c(N)c2C#N)c1","InChI=1S/C19H14N2O2S/c1-12-6-5-9-14(10-12)23-19-15(11-20)16(21)18(24-19)17(22)13-7-3-2-4-8-13/h2-10H,21H2,1H3","LFAMYXOBWYPWMK-UHFFFAOYSA-N",null,8093]
["D14438",32034,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43518","Cc1cccc(\\C=C(/c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)c1","InChI=1S/C22H18N2O2S/c1-16-8-7-9-17(14-16)15-21(27(25,26)18-10-3-2-4-11-18)22-23-19-12-5-6-13-20(19)24-22/h2-15H,1H3,(H,23,24)/b21-15+","WGIAMJYITRWTAE-RCCKNPSSSA-N",null,">55700"]
["D14439",4050,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM58857","Cc1cccc(\\C=C\\C(=O)c2ccc(o2)[N+]([O-])=O)c1","InChI=1S/C14H11NO4/c1-10-3-2-4-11(9-10)5-6-12(16)13-7-8-14(19-13)15(17)18/h2-9H,1H3/b6-5+","AWMRZIZNWUQMIM-AATRIKPKSA-N",{"$nulls":3},">350000"]
["D14440",3451,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50084141","Cc1cccc(\\C=C\\c2ccccc2)n1","InChI=1S/C14H13N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-11H,1H3/b11-10+","SISOFUCTXZKSOQ-ZHACJKMWSA-N",">100000"]
["D14441",31820,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46398","Cc1cccc(c1)-c1nc2cc(NC(=O)C3CCCO3)ccc2o1","InChI=1S/C19H18N2O3/c1-12-4-2-5-13(10-12)19-21-15-11-14(7-8-16(15)24-19)20-18(22)17-6-3-9-23-17/h2,4-5,7-8,10-11,17H,3,6,9H2,1H3,(H,20,22)","FGCHSXIKNLFXNO-UHFFFAOYSA-N",null,15890]
["D14442",4598,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66548","Cc1cccc(c1)-n1c(Cc2ccccc2)n[nH]c1=S","InChI=1S/C16H15N3S/c1-12-6-5-9-14(10-12)19-15(17-18-16(19)20)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,18,20)","YYXSEJIFRYPETQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14443",3596,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50278930","Cc1cccc(c1)C#Cc1ncccn1","InChI=1S/C13H10N2/c1-11-4-2-5-12(10-11)6-7-13-14-8-3-9-15-13/h2-5,8-10H,1H3","GHGMWMJKRGZKMW-UHFFFAOYSA-N",null,">10000"]
["D14444",16846,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478315","Cc1cccc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C27H29N7O/c1-18-3-2-4-22(29-18)21-7-8-23-24(16-21)31-27(30-23)32-25-15-19(9-10-28-25)17-33-11-13-34(14-12-33)26(35)20-5-6-20/h2-4,7-10,15-16,20H,5-6,11-14,17H2,1H3,(H2,28,30,31,32)","XVJFNNRVWQBLEO-UHFFFAOYSA-N",null,924]
["D14445",16719,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478316","Cc1cccc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC4CC4)ccn3)[nH]c2c1","InChI=1S/C28H31N7O/c1-19-3-2-4-23(30-19)22-7-8-24-25(17-22)32-28(31-24)33-26-15-21(9-10-29-26)18-34-11-13-35(14-12-34)27(36)16-20-5-6-20/h2-4,7-10,15,17,20H,5-6,11-14,16,18H2,1H3,(H2,29,31,32,33)","QXMOVYXWKRAVMR-UHFFFAOYSA-N",null,535]
["D14446",17831,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478314","Cc1cccc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C28H33N7O2/c1-19-6-5-7-22(30-19)21-8-9-23-24(17-21)32-26(31-23)33-25-16-20(10-11-29-25)18-34-12-14-35(15-13-34)27(36)37-28(2,3)4/h5-11,16-17H,12-15,18H2,1-4H3,(H2,29,31,32,33)","SMSREKQPOZFSCN-UHFFFAOYSA-N",null,">20000"]
["D14447",545,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326400","Cc1cccc(n1)-n1cnc(c1)C1(CC1CCCN)C(O)=O","InChI=1S/C16H20N4O2/c1-11-4-2-6-14(19-11)20-9-13(18-10-20)16(15(21)22)8-12(16)5-3-7-17/h2,4,6,9-10,12H,3,5,7-8,17H2,1H3,(H,21,22)","PQJZOQPXUZKPLX-UHFFFAOYSA-N",null,73]
["D14448",3454,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50084137","Cc1cccc(n1)C#Cc1ccccc1","InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3","NEWKHUASLBMWRE-UHFFFAOYSA-N",">100000"]
["D14449",31799,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43596","Cc1cccc2\\C(=C\\C(=O)c3cccs3)C(=O)Nc12","InChI=1S/C15H11NO2S/c1-9-4-2-5-10-11(15(18)16-14(9)10)8-12(17)13-6-3-7-19-13/h2-8H,1H3,(H,16,18)/b11-8-","CUXJHQSDEDMQMM-FLIBITNWSA-N",{"$nulls":3},">55700"]
["D14450",12363,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42895","Cc1cccc2cc(CN(Cc3nnnn3C3CCCC3)Cc3ccc4OCOc4c3)c(=O)[nH]c12","InChI=1S/C26H28N6O3/c1-17-5-4-6-19-12-20(26(33)27-25(17)19)14-31(13-18-9-10-22-23(11-18)35-16-34-22)15-24-28-29-30-32(24)21-7-2-3-8-21/h4-6,9-12,21H,2-3,7-8,13-16H2,1H3,(H,27,33)","KFNFJSJPMCHDKT-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14451",3836,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66762","Cc1cccc[n+]1CC(=O)c1ccccc1","InChI=1S/C14H14NO/c1-12-7-5-6-10-15(12)11-14(16)13-8-3-2-4-9-13/h2-10H,11H2,1H3/q+1","ZPHBROYGBIQXLA-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14452",32032,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43504","Cc1ccccc1-c1noc(N)c1C#N","InChI=1S/C11H9N3O/c1-7-4-2-3-5-8(7)10-9(6-12)11(13)15-14-10/h2-5H,13H2,1H3","MKMUSRBILMAWNJ-UHFFFAOYSA-N",null,">55700"]
["D14453",11978,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43111","Cc1ccccc1-n1c(n[nH]c1=S)-c1ccco1","InChI=1S/C13H11N3OS/c1-9-5-2-3-6-10(9)16-12(14-15-13(16)18)11-7-4-8-17-11/h2-8H,1H3,(H,15,18)","HVPOKHPNVUVCMQ-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14454",334,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305350","Cc1ccccc1-n1cnc(CC(OCCN)C(O)=O)c1","InChI=1S/C15H19N3O3/c1-11-4-2-3-5-13(11)18-9-12(17-10-18)8-14(15(19)20)21-7-6-16/h2-5,9-10,14H,6-8,16H2,1H3,(H,19,20)","WUAXKGSLSYPFBN-UHFFFAOYSA-N",65]
["D14455",13540,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19242009","Cc1ccccc1-n1cnc(CC(OCCN)C(O)=O)c2","InChI=1S/C15H19N3O3/c1-11-4-2-3-5-13(11)18-9-12(17-10-18)8-14(15(19)20)21-7-6-16/h2-5,9-10,14H,6-8,16H2,1H3,(H,19,20)","WUAXKGSLSYPFBN-UHFFFAOYSA-N",-12937.0745854901,-90615.9831969749,33568.4002153262,{"$nulls":3},6.73723563018013]
["D14456",32198,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43637","Cc1ccccc1C1N(CCc2c1[nH]c1ccccc21)C(=O)c1ccc(=O)n(C)n1","InChI=1S/C24H22N4O2/c1-15-7-3-4-8-16(15)23-22-18(17-9-5-6-10-19(17)25-22)13-14-28(23)24(30)20-11-12-21(29)27(2)26-20/h3-12,23,25H,13-14H2,1-2H3","UXHLBAUIGULQHR-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D14457",12022,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43153","Cc1ccccc1CC1(CO)CCCN(C1)C(=O)CCC(=O)c1ccccc1","InChI=1S/C24H29NO3/c1-19-8-5-6-11-21(19)16-24(18-26)14-7-15-25(17-24)23(28)13-12-22(27)20-9-3-2-4-10-20/h2-6,8-11,26H,7,12-18H2,1H3","WYXXYPABNSUMTN-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14458",28456,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50275794","Cc1ccccc1CNc1cc(Cl)nc2ccnn12","InChI=1S/C14H13ClN4/c1-10-4-2-3-5-11(10)9-16-14-8-12(15)18-13-6-7-17-19(13)14/h2-8,16H,9H2,1H3","XZDVHGFHMIHHNB-UHFFFAOYSA-N",null,14600]
["D14459",31844,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43543","Cc1ccccc1NC(=O)C(=Cc1ccc(cc1)C(O)=O)C(=O)Nc1ccccc1C","InChI=1S/C25H22N2O4/c1-16-7-3-5-9-21(16)26-23(28)20(15-18-11-13-19(14-12-18)25(30)31)24(29)27-22-10-6-4-8-17(22)2/h3-15H,1-2H3,(H,26,28)(H,27,29)(H,30,31)","DHMMTAZAWKUGIL-UHFFFAOYSA-N",null,21680]
["D14460",3926,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66841","Cc1ccccc1NC(=O)c1cccc(c1)-n1c(O)c2CC=CCc2c1O","InChI=1S/C22H20N2O3/c1-14-7-2-5-12-19(14)23-20(25)15-8-6-9-16(13-15)24-21(26)17-10-3-4-11-18(17)22(24)27/h2-9,12-13,26-27H,10-11H2,1H3,(H,23,25)","NNDADBUPFYHSKG-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14461",3803,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66735","Cc1ccccc1NC1=NC(=O)C(CO)(CO)S1","InChI=1S/C12H14N2O3S/c1-8-4-2-3-5-9(8)13-11-14-10(17)12(6-15,7-16)18-11/h2-5,15-16H,6-7H2,1H3,(H,13,14,17)","GIQIUVYIIGDDIR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14462",12398,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42921","Cc1ccccc1Nc1nc(N)nc(CSc2nnc3n(CC=C)c(=O)c4ccccc4n23)n1","InChI=1S/C23H21N9OS/c1-3-12-31-19(33)15-9-5-7-11-17(15)32-22(31)29-30-23(32)34-13-18-26-20(24)28-21(27-18)25-16-10-6-4-8-14(16)2/h3-11H,1,12-13H2,2H3,(H3,24,25,26,27,28)","PCVKZGCXKPOIJV-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14463",32077,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46362","Cc1ccccc1OCCCCn1cnc2ccccc12","InChI=1S/C18H20N2O/c1-15-8-2-5-11-18(15)21-13-7-6-12-20-14-19-16-9-3-4-10-17(16)20/h2-5,8-11,14H,6-7,12-13H2,1H3","PUSUWPZWRUXDLX-UHFFFAOYSA-N",null,">55700"]
["D14464",4031,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66932","Cc1ccccc1S(=O)(=O)N(CC(O)CN1CCCCC1)c1ccccc1","InChI=1S/C21H28N2O3S/c1-18-10-6-7-13-21(18)27(25,26)23(19-11-4-2-5-12-19)17-20(24)16-22-14-8-3-9-15-22/h2,4-7,10-13,20,24H,3,8-9,14-17H2,1H3","MKBRMWNQVUSPSU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14465",4136,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67022","Cc1ccccc1[C@]1(C)ON(C1=O)c1ccccc1C(F)(F)F","InChI=1S/C17H14F3NO2/c1-11-7-3-4-8-12(11)16(2)15(22)21(23-16)14-10-6-5-9-13(14)17(18,19)20/h3-10H,1-2H3/t16-/m0/s1","VXHXMOMFUNERDY-INIZCTEOSA-N",{"$nulls":3},">350000"]
["D14466",4051,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM58858","Cc1ccccc1\\C=C\\C(=O)c1ccc(o1)[N+]([O-])=O","InChI=1S/C14H11NO4/c1-10-4-2-3-5-11(10)6-7-12(16)13-8-9-14(19-13)15(17)18/h2-9H,1H3/b7-6+","VDSCLTOCMXBRKP-VOTSOKGWSA-N",{"$nulls":3},">350000"]
["D14467",11813,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42970","Cc1cccn2c1nc1n(CCc3ccccc3)c(=N)c(cc1c2=O)C(=O)NCCN1CCOCC1","InChI=1S/C27H30N6O3/c1-19-6-5-11-33-24(19)30-25-22(27(33)35)18-21(26(34)29-10-13-31-14-16-36-17-15-31)23(28)32(25)12-9-20-7-3-2-4-8-20/h2-8,11,18,28H,9-10,12-17H2,1H3,(H,29,34)","SDINGFXVXNJCRR-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14468",28491,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50426576","Cc1ccn(n1)-c1nc(Nc2ccc(F)cc2)c2ncn(C)c2n1","InChI=1S/C16H14FN7/c1-10-7-8-24(22-10)16-20-14(13-15(21-16)23(2)9-18-13)19-12-5-3-11(17)4-6-12/h3-9H,1-2H3,(H,19,20,21)","FHAJWQLFSSJBAK-UHFFFAOYSA-N",{"$nulls":3},20]
["D14469",4346,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM50833","Cc1ccn(n1)C(=O)c1ccc(NC(=O)C2CCCCC2)cc1","InChI=1S/C18H21N3O2/c1-13-11-12-21(20-13)18(23)15-7-9-16(10-8-15)19-17(22)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,19,22)","XMZWMRWRPXRDHL-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14470",28432,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50263327","Cc1ccnc(Nc2nc(cs2)-c2ccccn2)c1","InChI=1S/C14H12N4S/c1-10-5-7-16-13(8-10)18-14-17-12(9-19-14)11-4-2-3-6-15-11/h2-9H,1H3,(H,16,17,18)","QMEBVRXZLKAAIG-UHFFFAOYSA-N",null,4]
["D14471",468,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326399","Cc1ccnc(c1)-n1cnc(c1)C1(CC1CCCN)C(O)=O","InChI=1S/C16H20N4O2/c1-11-4-6-18-14(7-11)20-9-13(19-10-20)16(15(21)22)8-12(16)3-2-5-17/h4,6-7,9-10,12H,2-3,5,8,17H2,1H3,(H,21,22)","CRYYMVRUSLUZSY-UHFFFAOYSA-N",null,19]
["D14472",3553,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM564972","Cc1ccnc(c1)-n1ncc2CC(CCc2c1=O)c1ccc(C)cc1C","InChI=1S/C22H23N3O/c1-14-4-6-19(16(3)10-14)17-5-7-20-18(12-17)13-24-25(22(20)26)21-11-15(2)8-9-23-21/h4,6,8-11,13,17H,5,7,12H2,1-3H3","DLRFKXUEPHORMG-UHFFFAOYSA-N",null,"<500"]
["D14473",3662,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50552354","Cc1ccoc1C(=O)Nc1c(F)cc(N2C(=O)c3ccccc3C2=O)c(F)c1F","InChI=1S/C20H11F3N2O4/c1-9-6-7-29-17(9)18(26)24-16-12(21)8-13(14(22)15(16)23)25-19(27)10-4-2-3-5-11(10)20(25)28/h2-8H,1H3,(H,24,26)","ZQOAYJJXKVBVJA-UHFFFAOYSA-N",{"$nulls":3},302]
["D14474",3663,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50552330","Cc1ccoc1C(=O)Nc1cc(C)c(cc1F)N1C(=O)c2ccccc2C1=O","InChI=1S/C21H15FN2O4/c1-11-7-8-28-18(11)19(25)23-16-9-12(2)17(10-15(16)22)24-20(26)13-5-3-4-6-14(13)21(24)27/h3-10H,1-2H3,(H,23,25)","WMBNMWWQJFWLEY-UHFFFAOYSA-N",{"$nulls":3},180]
["D14475",3656,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50552342","Cc1ccoc1C(=O)Nc1cc(F)c(N2C(=O)c3cccc(Cl)c3C2=O)c(F)c1F","InChI=1S/C20H10ClF3N2O4/c1-8-5-6-30-17(8)18(27)25-12-7-11(22)16(15(24)14(12)23)26-19(28)9-3-2-4-10(21)13(9)20(26)29/h2-7H,1H3,(H,25,27)","PKLJSDSDRYJRNX-UHFFFAOYSA-N",{"$nulls":3},201]
["D14476",3657,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50552343","Cc1ccoc1C(=O)Nc1cc(F)c(N2C(=O)c3cccc(F)c3C2=O)c(F)c1F","InChI=1S/C20H10F4N2O4/c1-8-5-6-30-17(8)18(27)25-12-7-11(22)16(15(24)14(12)23)26-19(28)9-3-2-4-10(21)13(9)20(26)29/h2-7H,1H3,(H,25,27)","FGWPCYVXOCEXPK-UHFFFAOYSA-N",{"$nulls":3},487]
["D14477",3661,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50552349","Cc1ccoc1C(=O)Nc1cc(F)c(cc1C)N1C(=O)C2=C(CCCC2)C1=O","InChI=1S/C21H19FN2O4/c1-11-7-8-28-18(11)19(25)23-16-10-15(22)17(9-12(16)2)24-20(26)13-5-3-4-6-14(13)21(24)27/h7-10H,3-6H2,1-2H3,(H,23,25)","FDPGXFCCOLEURD-UHFFFAOYSA-N",{"$nulls":3},372]
["D14478",3658,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50552346","Cc1ccoc1C(=O)Nc1cc(F)c(cc1C)N1C(=O)c2ccc(C)cc2C1=O","InChI=1S/C22H17FN2O4/c1-11-4-5-14-15(8-11)22(28)25(21(14)27)18-9-13(3)17(10-16(18)23)24-20(26)19-12(2)6-7-29-19/h4-10H,1-3H3,(H,24,26)","LGXWAHSPYKIIOF-UHFFFAOYSA-N",{"$nulls":3},106]
["D14479",3659,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50552347","Cc1ccoc1C(=O)Nc1cc(F)c(cc1C)N1C(=O)c2cccc(Cl)c2C1=O","InChI=1S/C21H14ClFN2O4/c1-10-6-7-29-18(10)19(26)24-15-9-14(23)16(8-11(15)2)25-20(27)12-4-3-5-13(22)17(12)21(25)28/h3-9H,1-2H3,(H,24,26)","WDSSTGDHZQHXBN-UHFFFAOYSA-N",{"$nulls":3},98]
["D14480",3660,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50552348","Cc1ccoc1C(=O)Nc1cc(F)c(cc1C)N1C(=O)c2cccc(F)c2C1=O","InChI=1S/C21H14F2N2O4/c1-10-6-7-29-18(10)19(26)24-15-9-14(23)16(8-11(15)2)25-20(27)12-4-3-5-13(22)17(12)21(25)28/h3-9H,1-2H3,(H,24,26)","YHPLJCWMWLVNAD-UHFFFAOYSA-N",{"$nulls":3},114]
["D14481",3655,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50143059","Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(C)cc2C1=O","InChI=1S/C12H11Cl2N5O2/c1-6-10(11(20)17-12(15)16-6)19(18-21)5-7-2-3-8(13)9(14)4-7/h2-4H,5H2,1H3,(H3,15,16,17,20)","PEIKJWVEUBBCQR-UHFFFAOYSA-N",{"$nulls":3},">30000"]
["D14482",4790,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66709","Cc1ccsc1CNC1CCCCC1","InChI=1S/C12H19NS/c1-10-7-8-14-12(10)9-13-11-5-3-2-4-6-11/h7-8,11,13H,2-6,9H2,1H3","NGMYCEGDKQRRPW-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14483",3963,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66870","Cc1ccsc1\\C=C(/NC(=O)c1ccc(C)cc1)C(=O)NCCCN1CCOCC1","InChI=1S/C23H29N3O3S/c1-17-4-6-19(7-5-17)22(27)25-20(16-21-18(2)8-15-30-21)23(28)24-9-3-10-26-11-13-29-14-12-26/h4-8,15-16H,3,9-14H2,1-2H3,(H,24,28)(H,25,27)/b20-16-","LOZMLXMNJWVBHE-SILNSSARSA-N",{"$nulls":3},">350000"]
["D14484",31699,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM39665","Cc1ccsc1\\C=C1/CCc2ccccc2C1=O","InChI=1S/C16H14OS/c1-11-8-9-18-15(11)10-13-7-6-12-4-2-3-5-14(12)16(13)17/h2-5,8-10H,6-7H2,1H3/b13-10+","OYQFLMJAFRQFBO-JLHYYAGUSA-N",null,7888]
["D14485",25880,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM50237710","Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F","InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)","HHZIURLSWUIHRB-UHFFFAOYSA-N",null,null,">10000"]
["D14486",14921,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278306","Cc1cn[nH]c1C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1",{"$nulls":3},8]
["D14487",25876,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM50332294","Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C","InChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31)","JOOXLOJCABQBSG-UHFFFAOYSA-N",null,null,">10000"]
["D14488",3506,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565044","Cc1cnc(nc1)-n1ncc2CC(CCc2c1=O)c1cccc(OC2CC2)c1C","InChI=1S/C23H24N4O2/c1-14-11-24-23(25-12-14)27-22(28)20-9-6-16(10-17(20)13-26-27)19-4-3-5-21(15(19)2)29-18-7-8-18/h3-5,11-13,16,18H,6-10H2,1-2H3","ALBZDEFBQALLPA-UHFFFAOYSA-N",null,"<500"]
["D14489",3534,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565082","Cc1cnc(nc1)-n1ncc2C[C@@H](CCc2c1=O)c1cccc(OC2CC2)c1C","InChI=1S/C23H24N4O2/c1-14-11-24-23(25-12-14)27-22(28)20-9-6-16(10-17(20)13-26-27)19-4-3-5-21(15(19)2)29-18-7-8-18/h3-5,11-13,16,18H,6-10H2,1-2H3/t16-/m1/s1","ALBZDEFBQALLPA-MRXNPFEDSA-N",null,"<500"]
["D14490",3619,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565083","Cc1cnc(nc1)-n1ncc2C[C@H](CCc2c1=O)c1cccc(OC2CC2)c1C","InChI=1S/C23H24N4O2/c1-14-11-24-23(25-12-14)27-22(28)20-9-6-16(10-17(20)13-26-27)19-4-3-5-21(15(19)2)29-18-7-8-18/h3-5,11-13,16,18H,6-10H2,1-2H3/t16-/m0/s1","ALBZDEFBQALLPA-INIZCTEOSA-N",null,15500]
["D14491",25884,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM25919","Cc1cnc2c(NCCN)nc3ccc(C)cc3n12","InChI=1S/C14H17N5/c1-9-3-4-11-12(7-9)19-10(2)8-17-14(19)13(18-11)16-6-5-15/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18)","PSPFQEBFYXJZEV-UHFFFAOYSA-N",null,null,">10000"]
["D14492",16450,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209661","Cc1cnccc1NC(=O)c1cc(cnc1N)-c1ccc(CN2CCOCC2)s1","InChI=1S/C21H23N5O2S/c1-14-11-23-5-4-18(14)25-21(27)17-10-15(12-24-20(17)22)19-3-2-16(29-19)13-26-6-8-28-9-7-26/h2-5,10-12H,6-9,13H2,1H3,(H2,22,24)(H,23,25,27)","XNLQEOMWHKGKJO-UHFFFAOYSA-N",null,260,{"$nulls":4},7.5,"30.00 C"]
["D14493",16898,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209659","Cc1cnccc1NC(=O)c1cc(cnc1N)-c1ccc(cc1)-n1cccn1","InChI=1S/C21H18N6O/c1-14-12-23-9-7-19(14)26-21(28)18-11-16(13-24-20(18)22)15-3-5-17(6-4-15)27-10-2-8-25-27/h2-13H,1H3,(H2,22,24)(H,23,26,28)","TYXXLNSGWOQLJI-UHFFFAOYSA-N",null,1000,{"$nulls":4},7.5,"30.00 C"]
["D14494",16400,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478908","Cc1cncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C26H28N8O/c1-17-14-27-16-29-24(17)20-4-5-21-22(13-20)31-26(30-21)32-23-12-18(6-7-28-23)15-33-8-10-34(11-9-33)25(35)19-2-3-19/h4-7,12-14,16,19H,2-3,8-11,15H2,1H3,(H2,28,30,31,32)","PKHLHUOMFQOVKM-UHFFFAOYSA-N",null,216]
["D14495",16384,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478907","Cc1cncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C25H25F3N8O/c1-16-13-29-15-31-23(16)18-2-3-19-20(11-18)33-24(32-19)34-21-10-17(4-5-30-21)14-35-6-8-36(9-7-35)22(37)12-25(26,27)28/h2-5,10-11,13,15H,6-9,12,14H2,1H3,(H2,30,32,33,34)","GFUWOWBKEUMVOE-UHFFFAOYSA-N",null,201]
["D14496",3739,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM63039","Cc1coc(NC(=O)CSc2nc(cc(c2C#N)C(F)(F)F)-c2ccc(Cl)cc2)n1","InChI=1S/C19H12ClF3N4O2S/c1-10-8-29-18(25-10)27-16(28)9-30-17-13(7-24)14(19(21,22)23)6-15(26-17)11-2-4-12(20)5-3-11/h2-6,8H,9H2,1H3,(H,25,27,28)","YLFDFLSUQXOFSR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14497",16726,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144156","Cc1coc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)n1","InChI=1S/C20H19N5O3/c1-13-12-27-20(23-13)25-19-22-7-4-17(24-19)14-2-3-18(15(10-14)11-21)28-16-5-8-26-9-6-16/h2-4,7,10,12,16H,5-6,8-9H2,1H3,(H,22,23,24,25)","PMXKKMZIBVSKTC-UHFFFAOYSA-N",null,550,{"$nulls":4},7.5,"30.00 C"]
["D14498",31815,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46375","Cc1csc(NC(=O)c2cc3CCCCc3s2)n1","InChI=1S/C13H14N2OS2/c1-8-7-17-13(14-8)15-12(16)11-6-9-4-2-3-5-10(9)18-11/h6-7H,2-5H2,1H3,(H,14,15,16)","AUHVYHZLISVTFW-UHFFFAOYSA-N",null,14830]
["D14499",12382,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42907","Cc1csc(n1)C(C#N)C(=O)c1ccncc1","InChI=1S/C12H9N3OS/c1-8-7-17-12(15-8)10(6-13)11(16)9-2-4-14-5-3-9/h2-5,7,10H,1H3","IYNXXGFYAYCLRB-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14500",3919,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66834","Cc1n(nc2c1c(C)nn(CC(=O)NCCC1=CCCCC1)c2=O)-c1ccc(C)cc1","InChI=1S/C24H29N5O2/c1-16-9-11-20(12-10-16)29-18(3)22-17(2)26-28(24(31)23(22)27-29)15-21(30)25-14-13-19-7-5-4-6-8-19/h7,9-12H,4-6,8,13-15H2,1-3H3,(H,25,30)","XGEVGTGERIWGQD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14501",15017,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278304","Cc1n[nH]c(C(=O)N2CC[C@H](Oc3ccc(cc3C#N)-c3ncnc(Nc4ccc(cc4)N4CCN(CC4)C4COC4)n3)[C@H](F)C2)c1C",{"$nulls":3},9]
["D14502",14887,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277913","Cc1n[nH]c(C)c1C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1",{"$nulls":3},7]
["D14503",4266,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66262","Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)C(O)=O","InChI=1S/C11H17N3O4S/c1-7-10(8(2)13-12-7)19(17,18)14-5-3-9(4-6-14)11(15)16/h9H,3-6H2,1-2H3,(H,12,13)(H,15,16)","NQOFIDYCTRBTIE-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14504",17302,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278230","Cc1n[nH]c(n1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C(F)(F)C1",{"$nulls":3},3000,{"$nulls":4},7]
["D14505",14976,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278229","Cc1n[nH]c(n1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1",{"$nulls":3},1]
["D14506",17650,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50235833","Cc1n[nH]c2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12","InChI=1S/C17H16N6O/c1-9-12-5-4-11(8-14(12)23-22-9)19-17-20-13-6-7-24-15(13)16(21-17)18-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,23)(H2,18,19,20,21)","MDWXVGCLSBQVMP-UHFFFAOYSA-N",null,">10000"]
["D14507",25909,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM15138","Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1","InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1","BPNUQXPIQBZCMR-IBGZPJMESA-N",null,null,">10000"]
["D14508",14443,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276923","Cc1nc(-c2ccc(OC3CCOCC3)c(c2)C#N)c2nc([nH]c2n1)-c1ccc(cc1)N1CCOCC1","InChI=1S/C28H28N6O3/c1-18-30-25(20-4-7-24(21(16-20)17-29)37-23-8-12-35-13-9-23)26-28(31-18)33-27(32-26)19-2-5-22(6-3-19)34-10-14-36-15-11-34/h2-7,16,23H,8-15H2,1H3,(H,30,31,32,33)","HWPZTINHYQQHHG-UHFFFAOYSA-N",null,0.762,{"$nulls":4},7]
["D14509",17271,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478684","Cc1nc(-c2ccc3nc(Nc4cc(CN5CCN(CC5)C(=O)CC(F)(F)F)ccn4)[nH]c3c2)c2ccsc2n1","InChI=1S/C27H25F3N8OS/c1-16-32-24(19-5-11-40-25(19)33-16)18-2-3-20-21(13-18)35-26(34-20)36-22-12-17(4-6-31-22)15-37-7-9-38(10-8-37)23(39)14-27(28,29)30/h2-6,11-13H,7-10,14-15H2,1H3,(H2,31,34,35,36)","BRRGIVGRFJYVOV-UHFFFAOYSA-N",null,2600]
["D14510",31281,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Prolyl 3-hydroxylase OGFOD1","Homo sapiens","BDBM50431015","Cc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3ccccc3)cc12","InChI=1S/C19H16N2O5/c1-11-15-9-13(26-12-5-3-2-4-6-12)7-8-14(15)18(24)17(21-11)19(25)20-10-16(22)23/h2-9,24H,10H2,1H3,(H,20,25)(H,22,23)","YOZBGTLTNGAVFU-UHFFFAOYSA-N",null,"<1000"]
["D14511",15079,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278123","Cc1nc(C)c([nH]1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1",{"$nulls":3},10]
["D14512",32054,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46345","Cc1nc(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cs1","InChI=1S/C17H16N2O3S2/c1-13-19-14(12-23-13)11-18-24(20,21)17-9-7-16(8-10-17)22-15-5-3-2-4-6-15/h2-10,12,18H,11H2,1H3","OXTHLNRFVHLMQI-UHFFFAOYSA-N",null,">55700"]
["D14513",15859,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478910","Cc1nc(Cl)cc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C27H31ClN8O2/c1-17-30-21(15-23(28)31-17)19-5-6-20-22(14-19)33-25(32-20)34-24-13-18(7-8-29-24)16-35-9-11-36(12-10-35)26(37)38-27(2,3)4/h5-8,13-15H,9-12,16H2,1-4H3,(H2,29,32,33,34)","CDOZKHZPCVGBFY-UHFFFAOYSA-N",null,59.1]
["D14514",683,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144339","Cc1nc(N)ccc1CC(C(O)=O)c1cnc[nH]1","InChI=1S/C12H14N4O2/c1-7-8(2-3-11(13)16-7)4-9(12(17)18)10-5-14-6-15-10/h2-3,5-6,9H,4H2,1H3,(H2,13,16)(H,14,15)(H,17,18)","XGTNBKDLXCKTDY-UHFFFAOYSA-N",null,5800]
["D14515",13889,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19310076","Cc1nc(N)ccc1CC(C(O)=O)c1cnc[nH]2","InChI=1S/C12H14N4O2/c1-7-8(2-3-11(13)16-7)4-9(12(17)18)10-5-14-6-15-10/h2-3,5-6,9H,4H2,1H3,(H2,13,16)(H,14,15)(H,17,18)","XGTNBKDLXCKTDY-UHFFFAOYSA-N",-34939.2931282615,12418.432332221,33789.8369445508,{"$nulls":3},6.73738966895313]
["D14516",12062,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87313","Cc1nc(N2CCC(CC2)C(N)=O)c2c(csc2n1)-c1cccs1","InChI=1S/C17H18N4OS2/c1-10-19-16(21-6-4-11(5-7-21)15(18)22)14-12(9-24-17(14)20-10)13-3-2-8-23-13/h2-3,8-9,11H,4-7H2,1H3,(H2,18,22)","JOPVMTPXKOAVLA-UHFFFAOYSA-N",null,3314]
["D14517",4284,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66389","Cc1nc(NC(=O)c2cccc(Cl)c2)sc1-c1csc(Nc2ccccc2C)n1","InChI=1S/C21H17ClN4OS2/c1-12-6-3-4-9-16(12)24-20-25-17(11-28-20)18-13(2)23-21(29-18)26-19(27)14-7-5-8-15(22)10-14/h3-11H,1-2H3,(H,24,25)(H,23,26,27)","YEHFGMYLZOMBNR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14518",31751,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43555","Cc1nc(NC(N)=Nc2ccccc2)nc2ccccc12","InChI=1S/C16H15N5/c1-11-13-9-5-6-10-14(13)20-16(18-11)21-15(17)19-12-7-3-2-4-8-12/h2-10H,1H3,(H3,17,18,19,20,21)","YLFBDKSRAOAFDC-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D14519",31867,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50103762","Cc1nc(NC2CCCCC2)nc2ccccc12","InChI=1S/C15H19N3/c1-11-13-9-5-6-10-14(13)18-15(16-11)17-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,16,17,18)","GCXCEKAHFJFISO-UHFFFAOYSA-N",null,">30000"]
["D14520",31858,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50103650","Cc1nc(NCCN2CCOCC2)nc2ccccc12","InChI=1S/C15H20N4O/c1-12-13-4-2-3-5-14(13)18-15(17-12)16-6-7-19-8-10-20-11-9-19/h2-5H,6-11H2,1H3,(H,16,17,18)","MVBZUYHLBXFZDV-UHFFFAOYSA-N",null,">30000"]
["D14521",31854,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50103639","Cc1nc(NCCc2c[nH]c3ccccc23)nc2ccccc12","InChI=1S/C19H18N4/c1-13-15-6-2-5-9-18(15)23-19(22-13)20-11-10-14-12-21-17-8-4-3-7-16(14)17/h2-9,12,21H,10-11H2,1H3,(H,20,22,23)","VJFQFMPIEUZXJM-UHFFFAOYSA-N",null,">30000"]
["D14522",31857,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50103746","Cc1nc(NCc2ccc3OCOc3c2)nc2ccccc12","InChI=1S/C17H15N3O2/c1-11-13-4-2-3-5-14(13)20-17(19-11)18-9-12-6-7-15-16(8-12)22-10-21-15/h2-8H,9-10H2,1H3,(H,18,19,20)","IXCKTAULWPGBNJ-UHFFFAOYSA-N",null,">30000"]
["D14523",31868,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50103766","Cc1nc(NCc2cccc3ccccc23)nc2ccccc12","InChI=1S/C20H17N3/c1-14-17-10-4-5-12-19(17)23-20(22-14)21-13-16-9-6-8-15-7-2-3-11-18(15)16/h2-12H,13H2,1H3,(H,21,22,23)","WYYYEHXFOFJZLG-UHFFFAOYSA-N",null,">30000"]
["D14524",31865,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50103638","Cc1nc(NCc2ccccc2)nc2ccccc12","InChI=1S/C16H15N3/c1-12-14-9-5-6-10-15(14)19-16(18-12)17-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,18,19)","SWRKDVKIGQVVPS-UHFFFAOYSA-N",null,">30000"]
["D14525",3821,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66750","Cc1nc(NN)c2c3CC(C)(C)OCc3sc2n1","InChI=1S/C12H16N4OS/c1-6-14-10(16-13)9-7-4-12(2,3)17-5-8(7)18-11(9)15-6/h4-5,13H2,1-3H3,(H,14,15,16)","MPPARKDPKXZYBJ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14526",31856,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50103641","Cc1nc(Nc2ccccc2)nc2ccccc12","InChI=1S/C15H13N3/c1-11-13-9-5-6-10-14(13)18-15(16-11)17-12-7-3-2-4-8-12/h2-10H,1H3,(H,16,17,18)","HHKAFPRLWUBYDJ-UHFFFAOYSA-N",null,">30000"]
["D14527",31866,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50103764","Cc1nc(Nc2ccccn2)nc2ccccc12","InChI=1S/C14H12N4/c1-10-11-6-2-3-7-12(11)17-14(16-10)18-13-8-4-5-9-15-13/h2-9H,1H3,(H,15,16,17,18)","RTALTPLUVZQKSO-UHFFFAOYSA-N",null,">30000"]
["D14528",31944,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50103750","Cc1nc(Nc2nc(=O)c(C)c(C)[nH]2)nc2cc3OCOc3cc12","InChI=1S/C16H15N5O3/c1-7-8(2)17-16(20-14(7)22)21-15-18-9(3)10-4-12-13(24-6-23-12)5-11(10)19-15/h4-5H,6H2,1-3H3,(H2,17,18,19,20,21,22)","XQMXKJZDDBNRCO-UHFFFAOYSA-N",null,">50000"]
["D14529",31946,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50103748","Cc1nc(Nc2nc(=O)c(Cc3ccccc3)c(C)[nH]2)nc2cc3OCOc3cc12","InChI=1S/C22H19N5O3/c1-12-15-9-18-19(30-11-29-18)10-17(15)25-21(23-12)27-22-24-13(2)16(20(28)26-22)8-14-6-4-3-5-7-14/h3-7,9-10H,8,11H2,1-2H3,(H2,23,24,25,26,27,28)","FRHDYTGKPIRNTH-UHFFFAOYSA-N",null,">50000"]
["D14530",31945,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50103751","Cc1nc(Nc2nc(=O)cc([nH]2)-c2ccccc2)nc2cc3OCOc3cc12","InChI=1S/C20H15N5O3/c1-11-13-7-16-17(28-10-27-16)8-15(13)23-19(21-11)25-20-22-14(9-18(26)24-20)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,21,22,23,24,25,26)","LOGDNYKAEGZCSA-UHFFFAOYSA-N",null,">50000"]
["D14531",25906,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM13216","Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1","InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)","ZBNZXTGUTAYRHI-UHFFFAOYSA-N",null,null,">10000"]
["D14532",11879,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43028","Cc1nc(SCC(=O)Nc2ccc(F)cc2)c(C#N)c(C)c1CC(=O)c1ccc(Br)cc1","InChI=1S/C24H19BrFN3O2S/c1-14-20(11-22(30)16-3-5-17(25)6-4-16)15(2)28-24(21(14)12-27)32-13-23(31)29-19-9-7-18(26)8-10-19/h3-10H,11,13H2,1-2H3,(H,29,31)","JMAFOPUOSLOMFZ-UHFFFAOYSA-N",{"$nulls":3},24800]
["D14533",12381,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42906","Cc1nc(SCC(=O)Nc2ccc(F)cc2)c2oc3ccccc3c2n1","InChI=1S/C19H14FN3O2S/c1-11-21-17-14-4-2-3-5-15(14)25-18(17)19(22-11)26-10-16(24)23-13-8-6-12(20)7-9-13/h2-9H,10H2,1H3,(H,23,24)","VBCXUWRJIYPESD-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14534",11866,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43016","Cc1nc(SCC(=O)c2ccc(Cl)s2)c2oc3ccccc3c2n1","InChI=1S/C17H11ClN2O2S2/c1-9-19-15-10-4-2-3-5-12(10)22-16(15)17(20-9)23-8-11(21)13-6-7-14(18)24-13/h2-7H,8H2,1H3","ZSKBJSRYHVODTH-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14535",4151,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67037","Cc1nc(SCc2nc3c(cccc3[nH]2)[N+]([O-])=O)c2oc3ccccc3c2n1","InChI=1S/C19H13N5O3S/c1-10-20-16-11-5-2-3-8-14(11)27-18(16)19(21-10)28-9-15-22-12-6-4-7-13(24(25)26)17(12)23-15/h2-8H,9H2,1H3,(H,22,23)","FHZIEBDKFDMIAE-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14536",12268,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87273","Cc1nc(c(Sc2nc3ccccc3n2C)n1Cc1ccccc1)[N+]([O-])=O","InChI=1S/C19H17N5O2S/c1-13-20-17(24(25)26)18(23(13)12-14-8-4-3-5-9-14)27-19-21-15-10-6-7-11-16(15)22(19)2/h3-11H,12H2,1-2H3","AKWCXJOKMHJPSJ-UHFFFAOYSA-N",null,17620]
["D14537",3652,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50552331","Cc1nc(cs1)C(=O)Nc1cc(F)c(cc1C)N1C(=O)C2=C(CCCC2)C1=O","InChI=1S/C20H18FN3O3S/c1-10-7-17(24-19(26)12-5-3-4-6-13(12)20(24)27)14(21)8-15(10)23-18(25)16-9-28-11(2)22-16/h7-9H,3-6H2,1-2H3,(H,23,25)","VVMKCGXINVQJFF-UHFFFAOYSA-N",{"$nulls":3},1340]
["D14538",3435,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Microtubule-associated protein tau","Bos taurus","BDBM142855","Cc1nc(no1)-c1ccc(cc1)[C@H]1CN(CCO1)c1nc(-c2ccncn2)c(O)c(=O)n1C","InChI=1S/C22H21N7O4/c1-13-25-20(27-33-13)15-5-3-14(4-6-15)17-11-29(9-10-32-17)22-26-18(16-7-8-23-12-24-16)19(30)21(31)28(22)2/h3-8,12,17,30H,9-11H2,1-2H3/t17-/m1/s1","VMCWQYUFJHULPC-QGZVFWFLSA-N",null,6.7,{"$nulls":4},6.5,"25.00 C"]
["D14539",3436,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Microtubule-associated protein tau","Bos taurus","BDBM142848","Cc1nc(no1)-c1ccc(cc1)[C@H]1CN(CCO1)c1nc(cc(=O)n1C)-c1ncncc1F","InChI=1S/C22H20FN7O3/c1-13-26-21(28-33-13)15-5-3-14(4-6-15)18-11-30(7-8-32-18)22-27-17(9-19(31)29(22)2)20-16(23)10-24-12-25-20/h3-6,9-10,12,18H,7-8,11H2,1-2H3/t18-/m1/s1","GGVXSTCGTIKQRI-GOSISDBHSA-N",null,8.4,{"$nulls":4},6.5,"25.00 C"]
["D14540",32172,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43612","Cc1nc2c(C(=O)c3ccccc3C2=O)n1C1CCCCC1","InChI=1S/C18H18N2O2/c1-11-19-15-16(20(11)12-7-3-2-4-8-12)18(22)14-10-6-5-9-13(14)17(15)21/h5-6,9-10,12H,2-4,7-8H2,1H3","QLVBDHJSLPKORV-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D14541",12301,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM59548","Cc1nc2c(cnn2c(N)c1-c1ccc(F)cc1)-c1ccc(Cl)cc1","InChI=1S/C19H14ClFN4/c1-11-17(13-4-8-15(21)9-5-13)18(22)25-19(24-11)16(10-23-25)12-2-6-14(20)7-3-12/h2-10H,22H2,1H3","ADKOFHQQCJIEPK-UHFFFAOYSA-N",null,">35864"]
["D14542",31753,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43557","Cc1nc2ccccc2cc1O","InChI=1S/C10H9NO/c1-7-10(12)6-8-4-2-3-5-9(8)11-7/h2-6,12H,1H3","OMQWBTOTNRMKAK-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D14543",32098,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46388","Cc1nc2ccccc2cc1OCc1ccc(F)cc1","InChI=1S/C17H14FNO/c1-12-17(10-14-4-2-3-5-16(14)19-12)20-11-13-6-8-15(18)9-7-13/h2-10H,11H2,1H3","UCKMAYAEGOOXBZ-UHFFFAOYSA-N",null,">55700"]
["D14544",32100,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46390","Cc1nc2ccccc2cc1OCc1ccccc1","InChI=1S/C17H15NO/c1-13-17(19-12-14-7-3-2-4-8-14)11-15-9-5-6-10-16(15)18-13/h2-11H,12H2,1H3","QCEYXLPBTZCAKG-UHFFFAOYSA-N",null,">55700"]
["D14545",12100,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM7164","Cc1nc2ccccn2c1-c1cc[nH]c(=S)n1","InChI=1S/C12H10N4S/c1-8-11(9-5-6-13-12(17)15-9)16-7-3-2-4-10(16)14-8/h2-7H,1H3,(H,13,15,17)","JXIYNECIGZSIKR-UHFFFAOYSA-N",null,4248]
["D14546",11804,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM5925","Cc1nc2sc(C(N)=O)c(N)c2c(C)c1CC(=O)c1ccccc1","InChI=1S/C18H17N3O2S/c1-9-12(8-13(22)11-6-4-3-5-7-11)10(2)21-18-14(9)15(19)16(24-18)17(20)23/h3-7H,8,19H2,1-2H3,(H2,20,23)","HMLNXHABJLZURU-UHFFFAOYSA-N",null,2634]
["D14547",4238,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66243","Cc1nc2sc(C(O)=O)c(N)c2c2CC(C)(C)OCc12","InChI=1S/C14H16N2O3S/c1-6-8-5-19-14(2,3)4-7(8)9-10(15)11(13(17)18)20-12(9)16-6/h4-5,15H2,1-3H3,(H,17,18)","POWTZMPVRFFZOY-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14548",32055,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM37095","Cc1nc2sccn2c1-c1csc(NCc2ccccc2)n1","InChI=1S/C16H14N4S2/c1-11-14(20-7-8-21-16(20)18-11)13-10-22-15(19-13)17-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,19)","QLJGQLPHQVQVJE-UHFFFAOYSA-N",null,">55700"]
["D14549",15962,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278044","Cc1ncc(C(=O)N2CC[C@H](Oc3ccc(cc3C#N)-c3ncnc(Nc4ccc(cc4)N4CCN(CC4)C4COC4)n3)[C@H](F)C2)n1C","InChI=1S/C34H37FN10O3/c1-22-37-17-29(42(22)2)33(46)45-10-9-31(28(35)18-45)48-30-8-3-23(15-24(30)16-36)32-38-21-39-34(41-32)40-25-4-6-26(7-5-25)43-11-13-44(14-12-43)27-19-47-20-27/h3-8,15,17,21,27-28,31H,9-14,18-20H2,1-2H3,(H,38,39,40,41)/t28-,31+/m1/s1","LRMDEECPOUDJRY-MVSFAKPFSA-N",null,82]
["D14550",17030,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478443","Cc1ncc(C)c(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C27H30N8O/c1-17-15-29-18(2)30-25(17)21-5-6-22-23(14-21)32-27(31-22)33-24-13-19(7-8-28-24)16-34-9-11-35(12-10-34)26(36)20-3-4-20/h5-8,13-15,20H,3-4,9-12,16H2,1-2H3,(H2,28,31,32,33)","WWXAOGRYMUGQKN-UHFFFAOYSA-N",null,1500]
["D14551",17245,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478444","Cc1ncc(C)c(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CCC4)ccn3)[nH]c2c1","InChI=1S/C28H32N8O/c1-18-16-30-19(2)31-26(18)22-6-7-23-24(15-22)33-28(32-23)34-25-14-20(8-9-29-25)17-35-10-12-36(13-11-35)27(37)21-4-3-5-21/h6-9,14-16,21H,3-5,10-13,17H2,1-2H3,(H2,29,32,33,34)","HJQDNIPQNJLFNO-UHFFFAOYSA-N",null,2120]
["D14552",17042,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478442","Cc1ncc(C)c(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C26H27F3N8O/c1-16-14-31-17(2)32-24(16)19-3-4-20-21(12-19)34-25(33-20)35-22-11-18(5-6-30-22)15-36-7-9-37(10-8-36)23(38)13-26(27,28)29/h3-6,11-12,14H,7-10,13,15H2,1-2H3,(H2,30,33,34,35)","QDBTYFCHLXSJGV-UHFFFAOYSA-N",null,1590]
["D14553",17405,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478441","Cc1ncc(C)c(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C28H34N8O2/c1-18-16-30-19(2)31-25(18)21-6-7-22-23(15-21)33-26(32-22)34-24-14-20(8-9-29-24)17-35-10-12-36(13-11-35)27(37)38-28(3,4)5/h6-9,14-16H,10-13,17H2,1-5H3,(H2,29,32,33,34)","JQHJMJCUULFTEZ-UHFFFAOYSA-N",null,3540]
["D14554",12167,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87314","Cc1ncc(C=O)c(CNNC(=O)c2cc3CCCCc3s2)c1O","InChI=1S/C17H19N3O3S/c1-10-16(22)13(12(9-21)7-18-10)8-19-20-17(23)15-6-11-4-2-3-5-14(11)24-15/h6-7,9,19,22H,2-5,8H2,1H3,(H,20,23)","QBOVSNKLERHWNB-UHFFFAOYSA-N",null,7151]
["D14555",18388,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM375845","Cc1ncc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)s1","InChI=1S/C21H20FN7O3S/c1-12-24-8-18(33-12)27-21-26-11-25-20(28-21)13-2-3-16(14(6-13)7-23)32-17-4-5-29(9-15(17)22)19(31)10-30/h2-3,6,8,11,15,17,30H,4-5,9-10H2,1H3,(H,25,26,27,28)/t15-,17+/m1/s1","XGJGUJSSRHZXEN-WBVHZDCISA-N",null,3]
["D14556",17007,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478516","Cc1ncc(cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C26H28N8O/c1-17-28-14-21(15-29-17)20-4-5-22-23(13-20)31-26(30-22)32-24-12-18(6-7-27-24)16-33-8-10-34(11-9-33)25(35)19-2-3-19/h4-7,12-15,19H,2-3,8-11,16H2,1H3,(H2,27,30,31,32)","VMUQITKKMLFIIK-UHFFFAOYSA-N",null,1330]
["D14557",17415,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478515","Cc1ncc(cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C25H25F3N8O/c1-16-30-13-19(14-31-16)18-2-3-20-21(11-18)33-24(32-20)34-22-10-17(4-5-29-22)15-35-6-8-36(9-7-35)23(37)12-25(26,27)28/h2-5,10-11,13-14H,6-9,12,15H2,1H3,(H2,29,32,33,34)","RGPKVVMQPGITRK-UHFFFAOYSA-N",null,3790]
["D14558",4327,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM50987","Cc1ncc(n1Cc1cccc2ccccc12)[N+]([O-])=O","InChI=1S/C15H13N3O2/c1-11-16-9-15(18(19)20)17(11)10-13-7-4-6-12-5-2-3-8-14(12)13/h2-9H,10H2,1H3","BGJRFKGVBCKQRQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14559",14827,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276886","Cc1ncc(s1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C23H20N4O2S/c1-14-26-13-22(30-14)20-11-19-18(4-7-25-23(19)27-20)15-2-3-21(16(10-15)12-24)29-17-5-8-28-9-6-17/h2-4,7,10-11,13,17H,5-6,8-9H2,1H3,(H,25,27)","GMCWMRVYPOUFAZ-UHFFFAOYSA-N",null,6.03]
["D14560",14907,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277013","Cc1ncc(s1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C22H19N5O2S/c1-13-24-11-20(30-13)18-9-17-21(25-12-26-22(17)27-18)14-2-3-19(15(8-14)10-23)29-16-4-6-28-7-5-16/h2-3,8-9,11-12,16H,4-7H2,1H3,(H,25,26,27)","YIBZCPJGTIQSGV-UHFFFAOYSA-N",null,7.91,{"$nulls":4},7]
["D14561",15825,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277039","Cc1ncc(s1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C21H18N6O2S/c1-12-23-10-17(30-12)20-26-19-18(24-11-25-21(19)27-20)13-2-3-16(14(8-13)9-22)29-15-4-6-28-7-5-15/h2-3,8,10-11,15H,4-7H2,1H3,(H,24,25,26,27)","CZXZYURUDZVFID-UHFFFAOYSA-N",null,52.8,{"$nulls":4},7]
["D14562",16435,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478745","Cc1nccc(-c2ccc3nc(Nc4cc(CN5CCN(CC5)C(=O)C5CC5)ccn4)[nH]c3c2)c1Cl","InChI=1S/C27H28ClN7O/c1-17-25(28)21(7-9-29-17)20-4-5-22-23(15-20)32-27(31-22)33-24-14-18(6-8-30-24)16-34-10-12-35(13-11-34)26(36)19-2-3-19/h4-9,14-15,19H,2-3,10-13,16H2,1H3,(H2,30,31,32,33)","WQKWHPRUIDIKEE-UHFFFAOYSA-N",null,250]
["D14563",16368,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478744","Cc1nccc(-c2ccc3nc(Nc4cc(CN5CCN(CC5)C(=O)CC(F)(F)F)ccn4)[nH]c3c2)c1Cl","InChI=1S/C26H25ClF3N7O/c1-16-24(27)19(5-7-31-16)18-2-3-20-21(13-18)34-25(33-20)35-22-12-17(4-6-32-22)15-36-8-10-37(11-9-36)23(38)14-26(28,29)30/h2-7,12-13H,8-11,14-15H2,1H3,(H2,32,33,34,35)","PHIWILIWXXGWTL-UHFFFAOYSA-N",null,190]
["D14564",16843,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478743","Cc1nccc(c1Cl)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C28H32ClN7O2/c1-18-25(29)21(8-10-30-18)20-5-6-22-23(16-20)33-26(32-22)34-24-15-19(7-9-31-24)17-35-11-13-36(14-12-35)27(37)38-28(2,3)4/h5-10,15-16H,11-14,17H2,1-4H3,(H2,31,32,33,34)","QESONCOIKJFSHR-UHFFFAOYSA-N",null,890]
["D14565",16683,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478387","Cc1nccc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)cc(n3)C(F)(F)F)[nH]c2c1","InChI=1S/C27H27F3N8O/c1-16-31-7-6-20(32-16)19-4-5-21-22(14-19)34-26(33-21)36-24-13-17(12-23(35-24)27(28,29)30)15-37-8-10-38(11-9-37)25(39)18-2-3-18/h4-7,12-14,18H,2-3,8-11,15H2,1H3,(H2,33,34,35,36)","ROWGAQKQCUEBEK-UHFFFAOYSA-N",null,478]
["D14566",15760,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478383","Cc1nccc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C26H28N8O/c1-17-27-9-7-21(29-17)20-4-5-22-23(15-20)31-26(30-22)32-24-14-18(6-8-28-24)16-33-10-12-34(13-11-33)25(35)19-2-3-19/h4-9,14-15,19H,2-3,10-13,16H2,1H3,(H2,28,30,31,32)","ZPKLBKKFPKKTKY-UHFFFAOYSA-N",null,43.2]
["D14567",15738,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478382","Cc1nccc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CCC4)ccn3)[nH]c2c1","InChI=1S/C27H30N8O/c1-18-28-10-8-22(30-18)21-5-6-23-24(16-21)32-27(31-23)33-25-15-19(7-9-29-25)17-34-11-13-35(14-12-34)26(36)20-3-2-4-20/h5-10,15-16,20H,2-4,11-14,17H2,1H3,(H2,29,31,32,33)","YPZIRLFJTBKJMA-UHFFFAOYSA-N",null,39.9]
["D14568",15692,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478381","Cc1nccc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C25H25F3N8O/c1-16-29-7-5-19(31-16)18-2-3-20-21(13-18)33-24(32-20)34-22-12-17(4-6-30-22)15-35-8-10-36(11-9-35)23(37)14-25(26,27)28/h2-7,12-13H,8-11,14-15H2,1H3,(H2,30,32,33,34)","GBAZUUHBJDGGAI-UHFFFAOYSA-N",null,35.4]
["D14569",15770,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478384","Cc1nccc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC4CC4)ccn3)[nH]c2c1","InChI=1S/C27H30N8O/c1-18-28-9-7-22(30-18)21-4-5-23-24(16-21)32-27(31-23)33-25-14-20(6-8-29-25)17-34-10-12-35(13-11-34)26(36)15-19-2-3-19/h4-9,14,16,19H,2-3,10-13,15,17H2,1H3,(H2,29,31,32,33)","QRUKQBVYNLZERD-UHFFFAOYSA-N",null,44.4]
["D14570",3814,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM50013786","Cc1nccc2c3ccccc3[nH]c12","InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3","PSFDQSOCUJVVGF-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14571",15613,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246052","Cc1nccn1CC(=O)Nc1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1","InChI=1S/C25H23FN10O/c1-16-28-7-9-35(16)15-23(37)34-22-3-2-20(13-30-22)32-25-29-6-4-21(33-25)18-10-17(11-27)24(31-12-18)36-8-5-19(26)14-36/h2-4,6-7,9-10,12-13,19H,5,8,14-15H2,1H3,(H,29,32,33)(H,30,34,37)/t19-/m0/s1","RWGAMRFXAUSZLC-IBGZPJMESA-N",null,"<30",{"$nulls":4},7.5]
["D14572",15620,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246085","Cc1nccn1Cc1ccc(Nc2nccc(n2)-c2ccc(N3CC[C@H](F)C3)c(n2)C#N)cn1","InChI=1S/C24H22FN9/c1-16-27-9-11-33(16)15-19-3-2-18(13-29-19)30-24-28-8-6-21(32-24)20-4-5-23(22(12-26)31-20)34-10-7-17(25)14-34/h2-6,8-9,11,13,17H,7,10,14-15H2,1H3,(H,28,30,32)/t17-/m0/s1","AEPKWENAKIFXHF-KRWDZBQOSA-N",null,"<30",{"$nulls":4},7.5]
["D14573",15510,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245984","Cc1nccn1Cc1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1","InChI=1S/C24H22FN9/c1-16-27-7-9-33(16)15-21-3-2-20(13-29-21)31-24-28-6-4-22(32-24)18-10-17(11-26)23(30-12-18)34-8-5-19(25)14-34/h2-4,6-7,9-10,12-13,19H,5,8,14-15H2,1H3,(H,28,31,32)/t19-/m0/s1","OVLGOQSBJGTMKG-IBGZPJMESA-N",null,"<30",{"$nulls":4},7.5]
["D14574",16847,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478438","Cc1ncnc(c1C)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C27H30N8O/c1-17-18(2)29-16-30-25(17)21-5-6-22-23(14-21)32-27(31-22)33-24-13-19(7-8-28-24)15-34-9-11-35(12-10-34)26(36)20-3-4-20/h5-8,13-14,16,20H,3-4,9-12,15H2,1-2H3,(H2,28,31,32,33)","IYXSRXURNLWGDU-UHFFFAOYSA-N",null,951]
["D14575",16982,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478439","Cc1ncnc(c1C)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C26H27F3N8O/c1-16-17(2)31-15-32-24(16)19-3-4-20-21(12-19)34-25(33-20)35-22-11-18(5-6-30-22)14-36-7-9-37(10-8-36)23(38)13-26(27,28)29/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H2,30,33,34,35)","BEEGTPHIHYVPCQ-UHFFFAOYSA-N",null,1170]
["D14576",14710,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278341","Cc1ncsc1Nc1ncnc(n1)-c1ccc(O[C@H]2CCN(C[C@H]2F)C(=O)CO)c(c1)C#N","InChI=1S/C21H20FN7O3S/c1-12-20(33-11-26-12)28-21-25-10-24-19(27-21)13-2-3-16(14(6-13)7-23)32-17-4-5-29(8-15(17)22)18(31)9-30/h2-3,6,10-11,15,17,30H,4-5,8-9H2,1H3,(H,24,25,27,28)/t15-,17+/m1/s1","DBRHWHXJDUTFKP-WBVHZDCISA-N",null,5]
["D14577",4576,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66527","Cc1nn(-c2ccc(Cl)cc2)c2oc(=O)cc(C)c12","InChI=1S/C14H11ClN2O2/c1-8-7-12(18)19-14-13(8)9(2)16-17(14)11-5-3-10(15)4-6-11/h3-7H,1-2H3","YUUPOEIPCKZQSL-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14578",11871,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43020","Cc1nn(-c2ccc(Cl)cc2)c2sc(cc12)C(=O)c1c(N)n(C)c(=O)n(C)c1=O","InChI=1S/C19H16ClN5O3S/c1-9-12-8-13(15(26)14-16(21)23(2)19(28)24(3)17(14)27)29-18(12)25(22-9)11-6-4-10(20)5-7-11/h4-8H,21H2,1-3H3","LNKQTXVDMTTXBM-UHFFFAOYSA-N",{"$nulls":3},33350]
["D14579",32013,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67120","Cc1nn(-c2ccc(cc2)C(=O)N2CCC(Cc3ccccc3)CC2)c(=O)c2ccccc12","InChI=1S/C28H27N3O2/c1-20-25-9-5-6-10-26(25)28(33)31(29-20)24-13-11-23(12-14-24)27(32)30-17-15-22(16-18-30)19-21-7-3-2-4-8-21/h2-14,22H,15-19H2,1H3","OHHSBCCULJKRAL-UHFFFAOYSA-N",null,">55690"]
["D14580",4,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401920","Cc1nn(C)c2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C24H31N7O/c1-15-19-10-9-18(13-21(19)31(2)30-15)28-24-27-14-20(16-7-8-16)22(29-24)25-11-4-12-26-23(32)17-5-3-6-17/h9-10,13-14,16-17H,3-8,11-12H2,1-2H3,(H,26,32)(H2,25,27,28,29)","YQQIVRZPQZTHDO-UHFFFAOYSA-N",null,90]
["D14581",17330,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278124","Cc1nn(C)c2cc(Nc3ncnc(n3)-c3ccc(O[C@H]4CCN(C[C@H]4F)C(=O)CO)c(c3)C#N)ccc12","InChI=1S/C26H25FN8O3/c1-15-19-5-4-18(10-21(19)34(2)33-15)31-26-30-14-29-25(32-26)16-3-6-22(17(9-16)11-28)38-23-7-8-35(12-20(23)27)24(37)13-36/h3-6,9-10,14,20,23,36H,7-8,12-13H2,1-2H3,(H,29,30,31,32)/t20-,23+/m1/s1","KNCDEVRJJHZTFP-OFNKIYASSA-N",null,3000,{"$nulls":4},7]
["D14582",12431,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42947","Cc1nn(C2CCCC2)c2[nH]c(=O)cc(C)c12","InChI=1S/C13H17N3O/c1-8-7-11(17)14-13-12(8)9(2)15-16(13)10-5-3-4-6-10/h7,10H,3-6H2,1-2H3,(H,14,17)","VYQVAZGEWOMQAM-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14583",16325,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50516171","Cc1nn(CC(F)(F)F)cc1Nc1ncc(Br)c(NCc2ccc(cc2)S(N)(=O)=O)n1","InChI=1S/C17H17BrF3N7O2S/c1-10-14(8-28(27-10)9-17(19,20)21)25-16-24-7-13(18)15(26-16)23-6-11-2-4-12(5-3-11)31(22,29)30/h2-5,7-8H,6,9H2,1H3,(H2,22,29,30)(H2,23,24,25,26)","FFPHMUIGESPOTK-UHFFFAOYSA-N",null,158]
["D14584",3751,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM57282","Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)c1cn(nc1-c1ccccc1)-c1ccccc1","InChI=1S/C28H23Cl2N5O/c1-18-26(19(2)34(32-18)16-22-24(29)14-9-15-25(22)30)31-28(36)23-17-35(21-12-7-4-8-13-21)33-27(23)20-10-5-3-6-11-20/h3-15,17H,16H2,1-2H3,(H,31,36)","LZJDGVGNWDEWIX-UHFFFAOYSA-N",{"$nulls":3},15130]
["D14585",12007,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43138","Cc1nn(Cc2c(F)cccc2Cl)c(C)c1[N+]([O-])=O","InChI=1S/C12H11ClFN3O2/c1-7-12(17(18)19)8(2)16(15-7)6-9-10(13)4-3-5-11(9)14/h3-5H,6H2,1-2H3","OSCBSQATNAVZAI-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14586",3752,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66369","Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)Cn1nc(c(Cl)c1C)[N+]([O-])=O","InChI=1S/C18H17Cl3N6O3/c1-9-17(11(3)25(23-9)7-12-4-5-13(19)6-14(12)20)22-15(28)8-26-10(2)16(21)18(24-26)27(29)30/h4-6H,7-8H2,1-3H3,(H,22,28)","RYOSPXVQPHMSSG-UHFFFAOYSA-N",{"$nulls":3},51060]
["D14587",3756,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66371","Cc1nn(c(C)c1C=NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)-c1ccccc1","InChI=1S/C28H23BrN6O2S/c1-18-24(19(2)35(33-18)22-8-4-3-5-9-22)16-30-32-26(36)17-38-28-31-25-11-7-6-10-23(25)27(37)34(28)21-14-12-20(29)13-15-21/h3-16H,17H2,1-2H3,(H,32,36)","UALNEMJMMJGVKT-UHFFFAOYSA-N",{"$nulls":3},42410]
["D14588",11790,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM7059","Cc1nn(c(C)c1\\C=N\\OC(=O)Nc1ccc(Cl)c(Cl)c1)C(C)(C)C","InChI=1S/C17H20Cl2N4O2/c1-10-13(11(2)23(22-10)17(3,4)5)9-20-25-16(24)21-12-6-7-14(18)15(19)8-12/h6-9H,1-5H3,(H,21,24)/b20-9+","FUPRLICYSOIIGG-AWQFTUOYSA-N",null,2091]
["D14589",4456,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM56561","Cc1nn(c(Cl)c1CN(C(=O)CCl)c1ccc(Cl)cc1)-c1ccccc1","InChI=1S/C19H16Cl3N3O/c1-13-17(19(22)25(23-13)16-5-3-2-4-6-16)12-24(18(26)11-20)15-9-7-14(21)8-10-15/h2-10H,11-12H2,1H3","SEBZYCZOQDPQHF-UHFFFAOYSA-N",{"$nulls":3},40510]
["D14590",31762,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43564","Cc1nn(c(N)c1C(O)(CSc1nccn1C)C(F)(F)F)-c1ccc(Cl)cc1","InChI=1S/C17H17ClF3N5OS/c1-10-13(14(22)26(24-10)12-5-3-11(18)4-6-12)16(27,17(19,20)21)9-28-15-23-7-8-25(15)2/h3-8,27H,9,22H2,1-2H3","ZSLBQROBCCMFNI-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D14591",11851,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43003","Cc1nn(c2CCc3cnc(nc3-c12)N1CCOCC1)-c1ccccn1","InChI=1S/C19H20N6O/c1-13-17-15(25(23-13)16-4-2-3-7-20-16)6-5-14-12-21-19(22-18(14)17)24-8-10-26-11-9-24/h2-4,7,12H,5-6,8-11H2,1H3","WURWSPXKJVUPKN-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14592",5039,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50283493","Cc1nn2c(cc(C)nc2c1-c1ccc(OC(F)F)cc1)C(F)(F)F","InChI=1S/C16H12F5N3O/c1-8-7-12(16(19,20)21)24-14(22-8)13(9(2)23-24)10-3-5-11(6-4-10)25-15(17)18/h3-7,15H,1-2H3","QSPKCOVAHIVZKR-UHFFFAOYSA-N",{"$nulls":3},2800]
["D14593",31877,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46420","Cc1nn2cc(cnc2c1Br)-c1ncc(cc1Cl)C(F)(F)F","InChI=1S/C13H7BrClF3N4/c1-6-10(14)12-20-3-7(5-22(12)21-6)11-9(15)2-8(4-19-11)13(16,17)18/h2-5H,1H3","KEYMZPDWDIJUGF-UHFFFAOYSA-N",null,36640]
["D14594",12008,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43139","Cc1nnc(=O)[nH]c1N=NCc1cccs1","InChI=1S/C9H9N5OS/c1-6-8(11-9(15)14-12-6)13-10-5-7-3-2-4-16-7/h2-4H,5H2,1H3,(H,11,14,15)","YSBLINDQHSHFBA-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14595",32171,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43611","Cc1nnc(NC(=O)c2oc3c(ccc4ccccc34)c2C)s1","InChI=1S/C17H13N3O2S/c1-9-12-8-7-11-5-3-4-6-13(11)15(12)22-14(9)16(21)18-17-20-19-10(2)23-17/h3-8H,1-2H3,(H,18,20,21)","ALHMAOFLZSVAGD-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D14596",12087,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM37254","Cc1nnc(SC(=O)N2c3ccccc3Sc3ccccc23)s1","InChI=1S/C16H11N3OS3/c1-10-17-18-15(21-10)23-16(20)19-11-6-2-4-8-13(11)22-14-9-5-3-7-12(14)19/h2-9H,1H3","CCWBJWIPQQIPJH-UHFFFAOYSA-N",null,">3984"]
["D14597",4510,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66473","Cc1nnc(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)s1","InChI=1S/C13H17N5O3S2/c1-8-15-16-12(23-8)22-7-9(19)17-18-10(20)13(14-11(18)21)5-3-2-4-6-13/h2-7H2,1H3,(H,14,21)(H,17,19)","XCEDWPQZPHFRQD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14598",4393,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM44850","Cc1nnc(SCC(=O)Nc2ccc(C)cc2)n1-c1ccccc1","InChI=1S/C18H18N4OS/c1-13-8-10-15(11-9-13)19-17(23)12-24-18-21-20-14(2)22(18)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H,19,23)","FYWVELDNMINEQV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14599",32153,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43694","Cc1nnc(SCC(=O)Nc2ccc(cc2)-c2nc3ccccc3s2)s1","InChI=1S/C18H14N4OS3/c1-11-21-22-18(25-11)24-10-16(23)19-13-8-6-12(7-9-13)17-20-14-4-2-3-5-15(14)26-17/h2-9H,10H2,1H3,(H,19,23)","XJLOPESLGPYBCK-UHFFFAOYSA-N",{"$nulls":3},">55690"]
["D14600",12352,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM37968","Cc1nnc(SCc2ccccc2)n1N","InChI=1S/C10H12N4S/c1-8-12-13-10(14(8)11)15-7-9-5-3-2-4-6-9/h2-6H,7,11H2,1H3","DKIWOMYRUZFBCU-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14601",14652,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278196","Cc1nnc([nH]1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3cnn(c3)C(C)(C)C)n2)[C@H](F)C1",{"$nulls":3},4]
["D14602",17969,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570043","Cc1nnc(o1)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D14603",15668,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478568","Cc1nnc(o1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C24H26N8O2/c1-15-29-30-22(34-15)18-4-5-19-20(13-18)27-24(26-19)28-21-12-16(6-7-25-21)14-31-8-10-32(11-9-31)23(33)17-2-3-17/h4-7,12-13,17H,2-3,8-11,14H2,1H3,(H2,25,26,27,28)","FKPRBLZXXZBNCA-UHFFFAOYSA-N",null,33]
["D14604",15669,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478567","Cc1nnc(o1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C25H30N8O3/c1-16-30-31-22(35-16)18-5-6-19-20(14-18)28-23(27-19)29-21-13-17(7-8-26-21)15-32-9-11-33(12-10-32)24(34)36-25(2,3)4/h5-8,13-14H,9-12,15H2,1-4H3,(H2,26,27,28,29)","JCXPDCSAVZHYDC-UHFFFAOYSA-N",null,33.3]
["D14605",3918,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66833","Cc1nnc2nc(SCC(=O)NCCC3=CCCCC3)n(c(N)c12)-c1ccc(Br)cc1","InChI=1S/C22H25BrN6OS/c1-14-19-20(24)29(17-9-7-16(23)8-10-17)22(26-21(19)28-27-14)31-13-18(30)25-12-11-15-5-3-2-4-6-15/h5,7-10H,2-4,6,11-13,24H2,1H3,(H,25,30)","DFQPUTIIYXYGGX-UHFFFAOYSA-N",{"$nulls":3},13860]
["D14606",12447,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM40985","Cc1nnc2sc(nn12)-c1ccc(C)c(NC(=O)COc2ccc(Cl)c(C)c2)c1","InChI=1S/C20H18ClN5O2S/c1-11-4-5-14(19-25-26-13(3)23-24-20(26)29-19)9-17(11)22-18(27)10-28-15-6-7-16(21)12(2)8-15/h4-9H,10H2,1-3H3,(H,22,27)","BKPIHOZLZOFZCF-UHFFFAOYSA-N",{"$nulls":3},8970]
["D14607",16682,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278062","Cc1nnsc1COc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C27H27N9O2S/c1-18-25(39-34-33-18)16-38-24-7-2-19(12-20(24)13-28)26-29-17-30-27(32-26)31-21-3-5-22(6-4-21)35-8-10-36(11-9-35)23-14-37-15-23/h2-7,12,17,23H,8-11,14-16H2,1H3,(H,29,30,31,32)","ZEIXEYRJWQXGQB-UHFFFAOYSA-N",null,475]
["D14608",16667,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478636","Cc1noc(C)c1-c1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C29H28F3N9O2/c1-17-27(18(2)43-39-17)24-13-22(34-16-35-24)20-3-4-21-23(12-20)37-28(36-21)38-25-11-19(5-6-33-25)15-40-7-9-41(10-8-40)26(42)14-29(30,31)32/h3-6,11-13,16H,7-10,14-15H2,1-2H3,(H2,33,36,37,38)","UOFGFGXKUYWKLI-UHFFFAOYSA-N",null,450]
["D14609",15972,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478635","Cc1noc(C)c1-c1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C31H35N9O3/c1-19-28(20(2)43-38-19)26-16-24(33-18-34-26)22-6-7-23-25(15-22)36-29(35-23)37-27-14-21(8-9-32-27)17-39-10-12-40(13-11-39)30(41)42-31(3,4)5/h6-9,14-16,18H,10-13,17H2,1-5H3,(H2,32,35,36,37)","IADUWNPJSBFPFL-UHFFFAOYSA-N",null,88]
["D14610",15909,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277025","Cc1noc(C)c1-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C24H22N4O3/c1-14-23(15(2)31-28-14)21-12-20-19(5-8-26-24(20)27-21)16-3-4-22(17(11-16)13-25)30-18-6-9-29-10-7-18/h3-5,8,11-12,18H,6-7,9-10H2,1-2H3,(H,26,27)","OOZSAGRBHKWOLQ-UHFFFAOYSA-N",null,67.6,{"$nulls":4},7]
["D14611",32044,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM36974","Cc1noc(C)c1CSCC(=O)N1CCN(CC1)c1cccc(C)c1C","InChI=1S/C20H27N3O2S/c1-14-6-5-7-19(15(14)2)22-8-10-23(11-9-22)20(24)13-26-12-18-16(3)21-25-17(18)4/h5-7H,8-13H2,1-4H3","UOYXGXJBTVISCR-UHFFFAOYSA-N",null,">55700"]
["D14612",4188,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67071","Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)cc3)cc2)c1C","InChI=1S/C24H21FN4O6S2/c1-15-16(2)27-35-24(15)29-37(33,34)20-13-9-18(10-14-20)26-23(30)21-5-3-4-6-22(21)28-36(31,32)19-11-7-17(25)8-12-19/h3-14,28-29H,1-2H3,(H,26,30)","UIVWNTAOLBKFDO-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14613",12237,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM5276","Cc1noc(\\C=C\\c2ccco2)c1S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(Cl)cn1","InChI=1S/C21H21ClN4O5S/c1-14-20(18(31-25-14)6-5-17-3-2-12-30-17)32(28,29)26-10-8-15(9-11-26)21(27)24-19-7-4-16(22)13-23-19/h2-7,12-13,15H,8-11H2,1H3,(H,23,24,27)/b6-5+","WORFIAYAIJPLPO-AATRIKPKSA-N",null,11289]
["D14614",16361,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50520176","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC(F)(F)F)CC4)ccn3)[nH]c2c1","InChI=1S/C22H23F3N8O/c1-14-27-20(34-31-14)16-2-3-17-18(11-16)29-21(28-17)30-19-10-15(4-5-26-19)12-32-6-8-33(9-7-32)13-22(23,24)25/h2-5,10-11H,6-9,12-13H2,1H3,(H2,26,28,29,30)","FZKOOFUVRBCBBS-UHFFFAOYSA-N",null,188]
["D14615",16000,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50520166","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC(F)F)CC4)ccn3)[nH]c2c1","InChI=1S/C22H24F2N8O/c1-14-26-21(33-30-14)16-2-3-17-18(11-16)28-22(27-17)29-20-10-15(4-5-25-20)12-31-6-8-32(9-7-31)13-19(23)24/h2-5,10-11,19H,6-9,12-13H2,1H3,(H2,25,27,28,29)","WNLZXWKRUIEXHK-UHFFFAOYSA-N",null,98]
["D14616",16693,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478345","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4(C)C)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C26H30N8O2/c1-16-28-23(36-32-16)19-6-7-20-21(13-19)30-25(29-20)31-22-12-17(8-9-27-22)14-34-11-10-33(15-26(34,2)3)24(35)18-4-5-18/h6-9,12-13,18H,4-5,10-11,14-15H2,1-3H3,(H2,27,29,30,31)","OMVMYWOIUAGCRY-UHFFFAOYSA-N",null,497]
["D14617",16691,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478346","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4(C)C)C(=O)C4CCC4)ccn3)[nH]c2c1","InChI=1S/C27H32N8O2/c1-17-29-24(37-33-17)20-7-8-21-22(14-20)31-26(30-21)32-23-13-18(9-10-28-23)15-35-12-11-34(16-27(35,2)3)25(36)19-5-4-6-19/h7-10,13-14,19H,4-6,11-12,15-16H2,1-3H3,(H2,28,30,31,32)","HHCPDWNDACKILC-UHFFFAOYSA-N",null,491]
["D14618",16692,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478343","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4(C)C)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C25H27F3N8O2/c1-15-30-22(38-34-15)17-4-5-18-19(11-17)32-23(31-18)33-20-10-16(6-7-29-20)13-36-9-8-35(14-24(36,2)3)21(37)12-25(26,27)28/h4-7,10-11H,8-9,12-14H2,1-3H3,(H2,29,31,32,33)","ZKMDDDZMLXRGLH-UHFFFAOYSA-N",null,496]
["D14619",16562,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478344","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4(C)C)C(=O)CC4CC4)ccn3)[nH]c2c1","InChI=1S/C27H32N8O2/c1-17-29-25(37-33-17)20-6-7-21-22(14-20)31-26(30-21)32-23-12-19(8-9-28-23)15-35-11-10-34(16-27(35,2)3)24(36)13-18-4-5-18/h6-9,12,14,18H,4-5,10-11,13,15-16H2,1-3H3,(H2,28,30,31,32)","GYCVWYQJYRCSMT-UHFFFAOYSA-N",null,378]
["D14620",17832,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478342","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4(C)C)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C27H34N8O3/c1-17-29-23(38-33-17)19-7-8-20-21(14-19)31-24(30-20)32-22-13-18(9-10-28-22)15-35-12-11-34(16-27(35,5)6)25(36)37-26(2,3)4/h7-10,13-14H,11-12,15-16H2,1-6H3,(H2,28,30,31,32)","APJFKSNVFHAEAU-UHFFFAOYSA-N",null,">20000"]
["D14621",16392,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478331","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C25H30N8O2/c1-16-27-22(35-31-16)18-5-6-19-20(14-18)29-24(28-19)30-21-13-17(7-8-26-21)15-32-9-11-33(12-10-32)23(34)25(2,3)4/h5-8,13-14H,9-12,15H2,1-4H3,(H2,26,28,29,30)","UFJKZHNRLNZQTL-UHFFFAOYSA-N",null,208]
["D14622",16369,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478668","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C(C)(C)O)ccn3)[nH]c2c1","InChI=1S/C24H28N8O3/c1-15-26-21(35-30-15)17-4-5-18-19(13-17)28-23(27-18)29-20-12-16(6-7-25-20)14-31-8-10-32(11-9-31)22(33)24(2,3)34/h4-7,12-13,34H,8-11,14H2,1-3H3,(H2,25,27,28,29)","ZHLGSGODYRPJSH-UHFFFAOYSA-N",null,190]
["D14623",15907,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50520171","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C24H26N8O2/c1-15-26-22(34-30-15)18-4-5-19-20(13-18)28-24(27-19)29-21-12-16(6-7-25-21)14-31-8-10-32(11-9-31)23(33)17-2-3-17/h4-7,12-13,17H,2-3,8-11,14H2,1H3,(H2,25,27,28,29)","XMFSUNMVGUQZBX-UHFFFAOYSA-N",null,67]
["D14624",16415,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478539","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1C","InChI=1S/C25H28N8O2/c1-15-19(23-27-16(2)31-35-23)5-6-20-22(15)30-25(28-20)29-21-13-17(7-8-26-21)14-32-9-11-33(12-10-32)24(34)18-3-4-18/h5-8,13,18H,3-4,9-12,14H2,1-2H3,(H2,26,28,29,30)","XCMCICOGMSINTJ-UHFFFAOYSA-N",null,229]
["D14625",16299,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50520164","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CCC4)ccn3)[nH]c2c1","InChI=1S/C25H28N8O2/c1-16-27-23(35-31-16)19-5-6-20-21(14-19)29-25(28-20)30-22-13-17(7-8-26-22)15-32-9-11-33(12-10-32)24(34)18-3-2-4-18/h5-8,13-14,18H,2-4,9-12,15H2,1H3,(H2,26,28,29,30)","LSYVMTFICMPMTL-UHFFFAOYSA-N",null,146]
["D14626",16770,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478741","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)c(Br)cn3)[nH]c2c1","InChI=1S/C23H22BrF3N8O2/c1-13-29-21(37-33-13)14-2-3-17-18(8-14)31-22(30-17)32-19-9-15(16(24)11-28-19)12-34-4-6-35(7-5-34)20(36)10-23(25,26)27/h2-3,8-9,11H,4-7,10,12H2,1H3,(H2,28,30,31,32)","SOBCMZGNBYGIFE-UHFFFAOYSA-N",null,650]
["D14627",16232,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50520168","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C23H23F3N8O2/c1-14-28-21(36-32-14)16-2-3-17-18(11-16)30-22(29-17)31-19-10-15(4-5-27-19)13-33-6-8-34(9-7-33)20(35)12-23(24,25)26/h2-5,10-11H,6-9,12-13H2,1H3,(H2,27,29,30,31)","UOPCRSIUYMGQCP-UHFFFAOYSA-N",null,109]
["D14628",16431,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478538","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1C","InChI=1S/C24H25F3N8O2/c1-14-17(22-29-15(2)33-37-22)3-4-18-21(14)32-23(30-18)31-19-11-16(5-6-28-19)13-34-7-9-35(10-8-34)20(36)12-24(25,26)27/h3-6,11H,7-10,12-13H2,1-2H3,(H2,28,30,31,32)","SHFUJNNDKPHXFQ-UHFFFAOYSA-N",null,243]
["D14629",16244,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50520146","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC4CC4)ccn3)[nH]c2c1","InChI=1S/C25H28N8O2/c1-16-27-24(35-31-16)19-4-5-20-21(14-19)29-25(28-20)30-22-12-18(6-7-26-22)15-32-8-10-33(11-9-32)23(34)13-17-2-3-17/h4-7,12,14,17H,2-3,8-11,13,15H2,1H3,(H2,26,28,29,30)","PEGMEQCMRMUMBG-UHFFFAOYSA-N",null,115]
["D14630",16707,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478681","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)N4CCCC4)ccn3)[nH]c2c1","InChI=1S/C25H29N9O2/c1-17-27-23(36-31-17)19-4-5-20-21(15-19)29-24(28-20)30-22-14-18(6-7-26-22)16-32-10-12-34(13-11-32)25(35)33-8-2-3-9-33/h4-7,14-15H,2-3,8-13,16H2,1H3,(H2,26,28,29,30)","VZLQTJGFWUNXJC-UHFFFAOYSA-N",null,510]
["D14631",16419,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50520144","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)OC(C)(C)C)ccn3)[nH]c2c1","InChI=1S/C25H30N8O3/c1-16-27-22(36-31-16)18-5-6-19-20(14-18)29-23(28-19)30-21-13-17(7-8-26-21)15-32-9-11-33(12-10-32)24(34)35-25(2,3)4/h5-8,13-14H,9-12,15H2,1-4H3,(H2,26,28,29,30)","YFHGVXAURSKWLJ-UHFFFAOYSA-N",null,230]
["D14632",16354,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478662","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)c4ccccc4)ccn3)[nH]c2c1","InChI=1S/C27H26N8O2/c1-18-29-25(37-33-18)21-7-8-22-23(16-21)31-27(30-22)32-24-15-19(9-10-28-24)17-34-11-13-35(14-12-34)26(36)20-5-3-2-4-6-20/h2-10,15-16H,11-14,17H2,1H3,(H2,28,30,31,32)","ZIRLHXKNYFFNLM-UHFFFAOYSA-N",null,180]
["D14633",16518,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478676","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)c4cccnc4)ccn3)[nH]c2c1","InChI=1S/C26H25N9O2/c1-17-29-24(37-33-17)19-4-5-21-22(14-19)31-26(30-21)32-23-13-18(6-8-28-23)16-34-9-11-35(12-10-34)25(36)20-3-2-7-27-15-20/h2-8,13-15H,9-12,16H2,1H3,(H2,28,30,31,32)","UNIUORWQJQOIDA-UHFFFAOYSA-N",null,310]
["D14634",16600,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50520172","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)c4ccco4)ccn3)[nH]c2c1","InChI=1S/C25H24N8O3/c1-16-27-23(36-31-16)18-4-5-19-20(14-18)29-25(28-19)30-22-13-17(6-7-26-22)15-32-8-10-33(11-9-32)24(34)21-3-2-12-35-21/h2-7,12-14H,8-11,15H2,1H3,(H2,26,28,29,30)","BAMAXUDKVIPBAH-UHFFFAOYSA-N",null,429]
["D14635",16330,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478675","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)c4cccs4)ccn3)[nH]c2c1","InChI=1S/C25H24N8O2S/c1-16-27-23(35-31-16)18-4-5-19-20(14-18)29-25(28-19)30-22-13-17(6-7-26-22)15-32-8-10-33(11-9-32)24(34)21-3-2-12-36-21/h2-7,12-14H,8-11,15H2,1H3,(H2,26,28,29,30)","AWMXFOOCKQAXPG-UHFFFAOYSA-N",null,160]
["D14636",16743,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478672","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(N)=O)ccn3)[nH]c2c1","InChI=1S/C21H23N9O2/c1-13-24-19(32-28-13)15-2-3-16-17(11-15)26-21(25-16)27-18-10-14(4-5-23-18)12-29-6-8-30(9-7-29)20(22)31/h2-5,10-11H,6-9,12H2,1H3,(H2,22,31)(H2,23,25,26,27)","GIXOLZGCFNZATR-UHFFFAOYSA-N",null,560]
["D14637",16782,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478653","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C=O)ccn3)[nH]c2c1","InChI=1S/C21H22N8O2/c1-14-23-20(31-27-14)16-2-3-17-18(11-16)25-21(24-17)26-19-10-15(4-5-22-19)12-28-6-8-29(13-30)9-7-28/h2-5,10-11,13H,6-9,12H2,1H3,(H2,22,24,25,26)","QNLGTWUFLTUYTO-UHFFFAOYSA-N",null,680]
["D14638",16475,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478674","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)c4c(Cl)cncc4Cl)ccn3)[nH]c2c1","InChI=1S/C25H23Cl2N9O/c1-15-30-24(37-34-15)17-2-3-20-21(11-17)32-25(31-20)33-22-10-16(4-5-29-22)14-35-6-8-36(9-7-35)23-18(26)12-28-13-19(23)27/h2-5,10-13H,6-9,14H2,1H3,(H2,29,31,32,33)","KVSLYOSKJFEKCV-UHFFFAOYSA-N",null,280]
["D14639",16742,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478680","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)c4cc(C)ccn4)ccn3)[nH]c2c1","InChI=1S/C26H27N9O/c1-17-5-7-28-24(13-17)35-11-9-34(10-12-35)16-19-6-8-27-23(14-19)32-26-30-21-4-3-20(15-22(21)31-26)25-29-18(2)33-36-25/h3-8,13-15H,9-12,16H2,1-2H3,(H2,27,30,31,32)","LXAPYZAEMFGUIK-UHFFFAOYSA-N",null,560]
["D14640",18105,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478673","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)c4ccc(F)c(F)c4)ccn3)[nH]c2c1","InChI=1S/C26H24F2N8O/c1-16-30-25(37-34-16)18-2-5-22-23(13-18)32-26(31-22)33-24-12-17(6-7-29-24)15-35-8-10-36(11-9-35)19-3-4-20(27)21(28)14-19/h2-7,12-14H,8-11,15H2,1H3,(H2,29,31,32,33)","GLWBIGUISWVVDZ-UHFFFAOYSA-N",null,">57000"]
["D14641",17829,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478663","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)c4ccc(F)cc4F)ccn3)[nH]c2c1","InChI=1S/C26H24F2N8O/c1-16-30-25(37-34-16)18-2-4-21-22(13-18)32-26(31-21)33-24-12-17(6-7-29-24)15-35-8-10-36(11-9-35)23-5-3-19(27)14-20(23)28/h2-7,12-14H,8-11,15H2,1H3,(H2,29,31,32,33)","GZABIZOPVMFIOK-UHFFFAOYSA-N",null,">20000"]
["D14642",17029,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478670","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)c4ccc(cc4)C#N)ccn3)[nH]c2c1","InChI=1S/C27H25N9O/c1-18-30-26(37-34-18)21-4-7-23-24(15-21)32-27(31-23)33-25-14-20(8-9-29-25)17-35-10-12-36(13-11-35)22-5-2-19(16-28)3-6-22/h2-9,14-15H,10-13,17H2,1H3,(H2,29,31,32,33)","KFHKPFPKHFYDGS-UHFFFAOYSA-N",null,1500]
["D14643",17828,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478660","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)c4ccc(cn4)C(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C26H24F3N9O/c1-16-32-24(39-36-16)18-2-4-20-21(13-18)34-25(33-20)35-22-12-17(6-7-30-22)15-37-8-10-38(11-9-37)23-5-3-19(14-31-23)26(27,28)29/h2-7,12-14H,8-11,15H2,1H3,(H2,30,33,34,35)","UFXHNSXKLABSCE-UHFFFAOYSA-N",null,">20000"]
["D14644",16786,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478655","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)c4cccc(C)c4)ccn3)[nH]c2c1","InChI=1S/C27H28N8O/c1-18-4-3-5-22(14-18)35-12-10-34(11-13-35)17-20-8-9-28-25(15-20)32-27-30-23-7-6-21(16-24(23)31-27)26-29-19(2)33-36-26/h3-9,14-16H,10-13,17H2,1-2H3,(H2,28,30,31,32)","WOTPHLWAIAXUDJ-UHFFFAOYSA-N",null,690]
["D14645",16538,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478671","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)c4cccc(C)n4)ccn3)[nH]c2c1","InChI=1S/C26H27N9O/c1-17-4-3-5-24(28-17)35-12-10-34(11-13-35)16-19-8-9-27-23(14-19)32-26-30-21-7-6-20(15-22(21)31-26)25-29-18(2)33-36-25/h3-9,14-15H,10-13,16H2,1-2H3,(H2,27,30,31,32)","UJYOYCISLOXDAC-UHFFFAOYSA-N",null,340]
["D14646",16673,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478661","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)c4cccc(F)c4)ccn3)[nH]c2c1","InChI=1S/C26H25FN8O/c1-17-29-25(36-33-17)19-5-6-22-23(14-19)31-26(30-22)32-24-13-18(7-8-28-24)16-34-9-11-35(12-10-34)21-4-2-3-20(27)15-21/h2-8,13-15H,9-12,16H2,1H3,(H2,28,30,31,32)","XHQMRAIWYFEHPM-UHFFFAOYSA-N",null,460]
["D14647",17285,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478656","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)c4ccccc4)ccn3)[nH]c2c1","InChI=1S/C26H26N8O/c1-18-28-25(35-32-18)20-7-8-22-23(16-20)30-26(29-22)31-24-15-19(9-10-27-24)17-33-11-13-34(14-12-33)21-5-3-2-4-6-21/h2-10,15-16H,11-14,17H2,1H3,(H2,27,29,30,31)","NEFURDMWTNNYBI-UHFFFAOYSA-N",null,3000]
["D14648",16781,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478654","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)c4ccccc4F)ccn3)[nH]c2c1","InChI=1S/C26H25FN8O/c1-17-29-25(36-33-17)19-6-7-21-22(15-19)31-26(30-21)32-24-14-18(8-9-28-24)16-34-10-12-35(13-11-34)23-5-3-2-4-20(23)27/h2-9,14-15H,10-13,16H2,1H3,(H2,28,30,31,32)","PBPDJBLWKCHMSQ-UHFFFAOYSA-N",null,680]
["D14649",16393,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478667","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)c4ccccn4)ccn3)[nH]c2c1","InChI=1S/C25H25N9O/c1-17-28-24(35-32-17)19-5-6-20-21(15-19)30-25(29-20)31-22-14-18(7-9-26-22)16-33-10-12-34(13-11-33)23-4-2-3-8-27-23/h2-9,14-15H,10-13,16H2,1H3,(H2,26,29,30,31)","HVQFTKBVAPHKAJ-UHFFFAOYSA-N",null,210]
["D14650",16666,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478664","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)c4ccncc4)ccn3)[nH]c2c1","InChI=1S/C25H25N9O/c1-17-28-24(35-32-17)19-2-3-21-22(15-19)30-25(29-21)31-23-14-18(4-9-27-23)16-33-10-12-34(13-11-33)20-5-7-26-8-6-20/h2-9,14-15H,10-13,16H2,1H3,(H2,27,29,30,31)","GKYSWBFPJGIMGD-UHFFFAOYSA-N",null,450]
["D14651",16611,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478679","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)c4cncc(Cl)n4)ccn3)[nH]c2c1","InChI=1S/C24H23ClN10O/c1-15-28-23(36-33-15)17-2-3-18-19(11-17)30-24(29-18)32-21-10-16(4-5-27-21)14-34-6-8-35(9-7-34)22-13-26-12-20(25)31-22/h2-5,10-13H,6-9,14H2,1H3,(H2,27,29,30,32)","KNSJFEABKWONER-UHFFFAOYSA-N",null,450]
["D14652",16553,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478665","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)c4cnccn4)ccn3)[nH]c2c1","InChI=1S/C24H24N10O/c1-16-28-23(35-32-16)18-2-3-19-20(13-18)30-24(29-19)31-21-12-17(4-5-26-21)15-33-8-10-34(11-9-33)22-14-25-6-7-27-22/h2-7,12-14H,8-11,15H2,1H3,(H2,26,29,30,31)","CAPNEYFXKRIDGR-UHFFFAOYSA-N",null,360]
["D14653",16808,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478657","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)c4ncccn4)ccn3)[nH]c2c1","InChI=1S/C24H24N10O/c1-16-28-22(35-32-16)18-3-4-19-20(14-18)30-23(29-19)31-21-13-17(5-8-25-21)15-33-9-11-34(12-10-33)24-26-6-2-7-27-24/h2-8,13-14H,9-12,15H2,1H3,(H2,25,29,30,31)","IQBVBZUDMPVVKF-UHFFFAOYSA-N",null,780]
["D14654",16546,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478677","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)c4ncncn4)ccn3)[nH]c2c1","InChI=1S/C23H23N11O/c1-15-28-21(35-32-15)17-2-3-18-19(11-17)30-22(29-18)31-20-10-16(4-5-25-20)12-33-6-8-34(9-7-33)23-26-13-24-14-27-23/h2-5,10-11,13-14H,6-9,12H2,1H3,(H2,25,29,30,31)","WTANFHUWNQFFGP-UHFFFAOYSA-N",null,350]
["D14655",16478,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50520153","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CCC(F)(F)F)CC4)ccn3)[nH]c2c1","InChI=1S/C23H25F3N8O/c1-15-28-21(35-32-15)17-2-3-18-19(13-17)30-22(29-18)31-20-12-16(4-6-27-20)14-34-10-8-33(9-11-34)7-5-23(24,25)26/h2-4,6,12-13H,5,7-11,14H2,1H3,(H2,27,29,30,31)","RBVSNINJAAQHQT-UHFFFAOYSA-N",null,281]
["D14656",16969,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50520167","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CCO)CC4)ccn3)[nH]c2c1","InChI=1S/C22H26N8O2/c1-15-24-21(32-28-15)17-2-3-18-19(13-17)26-22(25-18)27-20-12-16(4-5-23-20)14-30-8-6-29(7-9-30)10-11-31/h2-5,12-13,31H,6-11,14H2,1H3,(H2,23,25,26,27)","MZFVFMLCVPBJFV-UHFFFAOYSA-N",null,1060]
["D14657",16803,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50520177","Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCNCC4)ccn3)[nH]c2c1","InChI=1S/C20H22N8O/c1-13-23-19(29-27-13)15-2-3-16-17(11-15)25-20(24-16)26-18-10-14(4-5-22-18)12-28-8-6-21-7-9-28/h2-5,10-11,21H,6-9,12H2,1H3,(H2,22,24,25,26)","FQLDODIEEKFQOP-UHFFFAOYSA-N",null,764]
["D14658",16992,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50520163","Cc1noc(n1)-c1ccc2nc(Nc3cc(ccn3)C(=O)N3CCN(CC3)C(=O)CC(F)(F)F)[nH]c2c1","InChI=1S/C23H21F3N8O3/c1-13-28-20(37-32-13)14-2-3-16-17(10-14)30-22(29-16)31-18-11-15(4-5-27-18)21(36)34-8-6-33(7-9-34)19(35)12-23(24,25)26/h2-5,10-11H,6-9,12H2,1H3,(H2,27,29,30,31)","GVIREMXPPOOMKA-UHFFFAOYSA-N",null,1210]
["D14659",17286,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278390","Cc1noc(n1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C32H33FN10O4/c1-20-37-30(47-40-20)31(44)43-9-8-28(26(33)16-43)46-27-7-2-21(14-22(27)15-34)29-35-19-36-32(39-29)38-23-3-5-24(6-4-23)41-10-12-42(13-11-41)25-17-45-18-25/h2-7,14,19,25-26,28H,8-13,16-18H2,1H3,(H,35,36,38,39)/t26-,28+/m1/s1","XQXOTLDRFRWIAE-IAPPQJPRSA-N",null,3000,{"$nulls":4},7]
["D14660",32186,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43625","Cc1nonc1CC(=O)N1CCc2c([nH]c3ccccc23)C1c1ccccc1F","InChI=1S/C22H19FN4O2/c1-13-19(26-29-25-13)12-20(28)27-11-10-15-14-6-3-5-9-18(14)24-21(15)22(27)16-7-2-4-8-17(16)23/h2-9,22,24H,10-12H2,1H3","NCPZHRSKFKCQBT-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D14661",5002,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50060718","Cc1o[nH]c(=O)c1CC[C@@H](N)C(O)=O","InChI=1S/C8H12N2O4/c1-4-5(7(11)10-14-4)2-3-6(9)8(12)13/h6H,2-3,9H2,1H3,(H,10,11)(H,12,13)/t6-/m1/s1","NZDIZJGEDFARSV-ZCFIWIBFSA-N",{"$nulls":3},">5000000"]
["D14662",3465,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50060719","Cc1o[nH]c(=O)c1CC[C@H](N)C(O)=O","InChI=1S/C8H12N2O4/c1-4-5(7(11)10-14-4)2-3-6(9)8(12)13/h6H,2-3,9H2,1H3,(H,10,11)(H,12,13)/t6-/m0/s1","NZDIZJGEDFARSV-LURJTMIESA-N",">5000000"]
["D14663",4216,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66227","Cc1occc1-c1nnc(SCC(=O)NCCc2ccccc2)n1Cc1ccccc1","InChI=1S/C24H24N4O2S/c1-18-21(13-15-30-18)23-26-27-24(28(23)16-20-10-6-3-7-11-20)31-17-22(29)25-14-12-19-8-4-2-5-9-19/h2-11,13,15H,12,14,16-17H2,1H3,(H,25,29)","ROYLSAXNRNPFRQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14664",4603,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66553","Cc1occc1-c1nnc(o1)-c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O","InChI=1S/C13H8N4O6/c1-7-11(2-3-22-7)13-15-14-12(23-13)8-4-9(16(18)19)6-10(5-8)17(20)21/h2-6H,1H3","DBQYQLSCEONNNI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14665",12028,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43159","Cc1occc1C(=O)NN=Cc1ccc(Br)s1","InChI=1S/C11H9BrN2O2S/c1-7-9(4-5-16-7)11(15)14-13-6-8-2-3-10(12)17-8/h2-6H,1H3,(H,14,15)","PNJPDQJPCKRZDO-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14666",4727,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66652","Cc1onc(c1C(=O)NS(=C)(=O)c1ccccc1)-c1c(Cl)cccc1Cl","InChI=1S/C18H14Cl2N2O3S/c1-11-15(17(21-25-11)16-13(19)9-6-10-14(16)20)18(23)22-26(2,24)12-7-4-3-5-8-12/h3-10H,2H2,1H3,(H,22,23,24)","LFKNOSGTSPOGOH-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14667",3874,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66796","Cc1onc(c1C(=O)OCCOc1ccccc1C)-c1ccccc1","InChI=1S/C20H19NO4/c1-14-8-6-7-11-17(14)23-12-13-24-20(22)18-15(2)25-21-19(18)16-9-4-3-5-10-16/h3-11H,12-13H2,1-2H3","IRBACGKLNDLBLX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14668",4429,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66343","Cc1sc(NC(=O)CSC2=NCCS2)nc1-c1ccccc1","InChI=1S/C15H15N3OS3/c1-10-13(11-5-3-2-4-6-11)18-14(22-10)17-12(19)9-21-15-16-7-8-20-15/h2-6H,7-9H2,1H3,(H,17,18,19)","YCFKHXQVUDCTPN-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14669",11764,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM59516","Cc1sc(NC(=O)c2ccc(C)c(c2)[N+]([O-])=O)c(C(N)=O)c1-c1ccccc1","InChI=1S/C20H17N3O4S/c1-11-8-9-14(10-15(11)23(26)27)19(25)22-20-17(18(21)24)16(12(2)28-20)13-6-4-3-5-7-13/h3-10H,1-2H3,(H2,21,24)(H,22,25)","VWKPTZORZJXFOF-UHFFFAOYSA-N",null,">147.63"]
["D14670",3744,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM54207","Cc1sc(NC(=O)c2nn(C)cc2[N+]([O-])=O)nc1-c1ccc(C)c(C)c1","InChI=1S/C17H17N5O3S/c1-9-5-6-12(7-10(9)2)14-11(3)26-17(18-14)19-16(23)15-13(22(24)25)8-21(4)20-15/h5-8H,1-4H3,(H,18,19,23)","SSVYZBWWFLPCPS-UHFFFAOYSA-N",{"$nulls":3},6261]
["D14671",3754,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM54208","Cc1sc(NC(=O)c2nn(C)cc2[N+]([O-])=O)nc1-c1ccc(C)cc1","InChI=1S/C16H15N5O3S/c1-9-4-6-11(7-5-9)13-10(2)25-16(17-13)18-15(22)14-12(21(23)24)8-20(3)19-14/h4-8H,1-3H3,(H,17,18,22)","PBXYGMKBGMKPOV-UHFFFAOYSA-N",{"$nulls":3},9721]
["D14672",5025,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50116515","Cc1sc(Nc2nccc(C)n2)nc1-c1cn[nH]c1","InChI=1S/C12H12N6S/c1-7-3-4-13-11(16-7)18-12-17-10(8(2)19-12)9-5-14-15-6-9/h3-6H,1-2H3,(H,14,15)(H,13,16,17,18)","MIQNXKWDQRNHAU-UHFFFAOYSA-N",{"$nulls":3},">10000"]
["D14673",15068,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50536681","Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F","InChI=1S/C18H18ClF2N5OS/c1-9-11(12-7-24-26-8-10(19)6-23-16(12)26)5-14(28-9)17(27)25-15-13(22)3-2-4-18(15,20)21/h5-8,13,15H,2-4,22H2,1H3,(H,25,27)/t13-,15-/m1/s1","NGFGTMFVWSDFPS-UKRRQHHQSA-N",null,"<10.0"]
["D14674",12143,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87349","Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccccc3C(C)(C)C)c2c1C","InChI=1S/C24H30N4OS/c1-15-16(2)30-23-20(15)21(25-14-26-23)28-12-10-17(11-13-28)22(29)27-19-9-7-6-8-18(19)24(3,4)5/h6-9,14,17H,10-13H2,1-5H3,(H,27,29)","PAQQOKFZCHHBRE-UHFFFAOYSA-N",null,5753]
["D14675",525,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197526","Cl.CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O","InChI=1S/C25H46N4O5S.ClH/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26;/h17-21,28-29H,4-16,26H2,1-3H3,(H,27,30)(H,31,32);1H/t18-,19+,20+,21+,25+;/m1./s1","SXAUCWSUBICAAS-LZZNFXAASA-N",null,51]
["D14676",11769,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87323","Cl.CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cccc(NC(=O)CN)c4cc3Cn1c2=O","InChI=1S/C22H20N4O5.ClH/c1-2-22(30)14-7-17-19-11(9-26(17)20(28)13(14)10-31-21(22)29)6-12-15(24-18(27)8-23)4-3-5-16(12)25-19;/h3-7,30H,2,8-10,23H2,1H3,(H,24,27);1H/t22-;/m0./s1","LYLOFHMTQZERLJ-FTBISJDPSA-N",null,1049]
["D14677",519,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008279","Cl.NCCC[C@]1(CCn2c(C1)ncc2-c1cccc(c1)-c1ccc(Cl)cc1Cl)C(O)=O","InChI=1S/C23H23Cl2N3O2.ClH/c24-17-5-6-18(19(25)12-17)15-3-1-4-16(11-15)20-14-27-21-13-23(22(29)30,7-2-9-26)8-10-28(20)21;/h1,3-6,11-12,14H,2,7-10,13,26H2,(H,29,30);1H/t23-;/m1./s1","IOOZRTSDGXVNMZ-GNAFDRTKSA-N",null,"<41"]
["D14678",3872,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66794","ClC(C(=O)c1c[nH]c2ccccc12)c1ccccc1","InChI=1S/C16H12ClNO/c17-15(11-6-2-1-3-7-11)16(19)13-10-18-14-9-5-4-8-12(13)14/h1-10,15,18H","ASZBJIFVTIEZFN-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14679",11766,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM70761","ClCC(=O)N(C(C(=O)NC1CCCCC1)c1cccnc1)c1cccc(Cl)c1","InChI=1S/C21H23Cl2N3O2/c22-13-19(27)26(18-10-4-7-16(23)12-18)20(15-6-5-11-24-14-15)21(28)25-17-8-2-1-3-9-17/h4-7,10-12,14,17,20H,1-3,8-9,13H2,(H,25,28)","BLDIGKDTIQNPDL-UHFFFAOYSA-N",null,503.09]
["D14680",4458,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM54238","ClCC(=O)N(C(C(=O)NCCc1ccccc1)c1cccs1)c1ccc(Cl)cc1","InChI=1S/C22H20Cl2N2O2S/c23-15-20(27)26(18-10-8-17(24)9-11-18)21(19-7-4-14-29-19)22(28)25-13-12-16-5-2-1-3-6-16/h1-11,14,21H,12-13,15H2,(H,25,28)","IMWYYSDFZCXBLG-UHFFFAOYSA-N",{"$nulls":3},7950]
["D14681",12207,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM63729","ClCC(=O)N(C1CCCCC1)c1ccccc1","InChI=1S/C14H18ClNO/c15-11-14(17)16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2","WDAVIQBJLVXQGA-UHFFFAOYSA-N",null,8702]
["D14682",11785,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87279","ClCC(=O)N(C1CCS(=O)(=O)C1)c1ccccc1","InChI=1S/C12H14ClNO3S/c13-8-12(15)14(10-4-2-1-3-5-10)11-6-7-18(16,17)9-11/h1-5,11H,6-9H2","KDRMKEHJVHITKA-UHFFFAOYSA-N",null,1744]
["D14683",11775,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM71404","ClCC(=O)N1N=C(CC1c1ccco1)c1ccco1","InChI=1S/C13H11ClN2O3/c14-8-13(17)16-10(12-4-2-6-19-12)7-9(15-16)11-3-1-5-18-11/h1-6,10H,7-8H2","OPRWTSGLXDLNBZ-UHFFFAOYSA-N",null,">1329"]
["D14684",12092,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM63404","ClCC(=O)N1N=C(CC1c1ccco1)c1cccs1","InChI=1S/C13H11ClN2O2S/c14-8-13(17)16-10(11-3-1-5-18-11)7-9(15-16)12-4-2-6-19-12/h1-6,10H,7-8H2","STUMPUWOJMTVDV-UHFFFAOYSA-N",null,">3988"]
["D14685",11767,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM54272","ClCC(=O)N1N=C(CC1c1cccs1)c1ccco1","InChI=1S/C13H11ClN2O2S/c14-8-13(17)16-10(12-4-2-6-19-12)7-9(15-16)11-3-1-5-18-11/h1-6,10H,7-8H2","ZBZGUXCOHGXIRI-UHFFFAOYSA-N",null,694.34]
["D14686",4684,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM47455","ClCC(=O)N=c1sccn1Cc1ccccc1Cl","InChI=1S/C12H10Cl2N2OS/c13-7-11(17)15-12-16(5-6-18-12)8-9-3-1-2-4-10(9)14/h1-6H,7-8H2","PYEWRVJBQXWXNV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14687",12135,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM63687","ClCC(=O)NC(Cc1ccccc1)c1ccccc1","InChI=1S/C16H16ClNO/c17-12-16(19)18-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,18,19)","JBFGAYHXKQXCTD-UHFFFAOYSA-N",null,5576]
["D14688",12252,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM67818","ClCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1","InChI=1S/C16H12ClN3O/c17-9-16(21)19-12-5-3-4-11(8-12)15-10-18-13-6-1-2-7-14(13)20-15/h1-8,10H,9H2,(H,19,21)","WBRXCUKAZWEAJZ-UHFFFAOYSA-N",null,13561]
["D14689",4701,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66630","ClCCCC(=O)NC(=S)Nc1ccc(CN2CCOCC2)cc1","InChI=1S/C16H22ClN3O2S/c17-7-1-2-15(21)19-16(23)18-14-5-3-13(4-6-14)12-20-8-10-22-11-9-20/h3-6H,1-2,7-12H2,(H2,18,19,21,23)","HXCOAWZTLDYQBZ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14690",17277,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379388","Clc1c(Br)cnc2nc([nH]c12)-c1ccc(OCCN2CCCCC2)cc1","InChI=1S/C19H20BrClN4O/c20-15-12-22-19-17(16(15)21)23-18(24-19)13-4-6-14(7-5-13)26-11-10-25-8-2-1-3-9-25/h4-7,12H,1-3,8-11H2,(H,22,23,24)","AITCLJHEQHOUPD-UHFFFAOYSA-N",null,2740]
["D14691",3504,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565042","Clc1c(OC2CC2)cccc1C1CCc2c(C1)cnn(-c1ncccn1)c2=O","InChI=1S/C21H19ClN4O2/c22-19-16(3-1-4-18(19)28-15-6-7-15)13-5-8-17-14(11-13)12-25-26(20(17)27)21-23-9-2-10-24-21/h1-4,9-10,12-13,15H,5-8,11H2","DAUTVNPCFCRXFJ-UHFFFAOYSA-N",null,"<500"]
["D14692",3532,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565080","Clc1c(OC2CC2)cccc1[C@@H]1CCc2c(C1)cnn(-c1ncccn1)c2=O","InChI=1S/C21H19ClN4O2/c22-19-16(3-1-4-18(19)28-15-6-7-15)13-5-8-17-14(11-13)12-25-26(20(17)27)21-23-9-2-10-24-21/h1-4,9-10,12-13,15H,5-8,11H2/t13-/m1/s1","DAUTVNPCFCRXFJ-CYBMUJFWSA-N",null,"<500"]
["D14693",3533,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565081","Clc1c(OC2CC2)cccc1[C@H]1CCc2c(C1)cnn(-c1ncccn1)c2=O","InChI=1S/C21H19ClN4O2/c22-19-16(3-1-4-18(19)28-15-6-7-15)13-5-8-17-14(11-13)12-25-26(20(17)27)21-23-9-2-10-24-21/h1-4,9-10,12-13,15H,5-8,11H2/t13-/m0/s1","DAUTVNPCFCRXFJ-ZDUSSCGKSA-N",null,"<500"]
["D14694",11955,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43088","Clc1c(sc2ccccc12)C(=O)OCC(=O)NC1CCCCC1","InChI=1S/C17H18ClNO3S/c18-15-12-8-4-5-9-13(12)23-16(15)17(21)22-10-14(20)19-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,19,20)","BHQGONKTIPMFKI-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14695",11964,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43097","Clc1c(sc2ccccc12)C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl","InChI=1S/C16H9Cl3N2O3S/c17-8-5-10(18)15(20-6-8)21-12(22)7-24-16(23)14-13(19)9-3-1-2-4-11(9)25-14/h1-6H,7H2,(H,20,21,22)","LMVFOVNTCFKIKH-UHFFFAOYSA-N",{"$nulls":3},25490]
["D14696",3602,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50563239","Clc1cc(Br)cc(NC(=O)[C@@H]2CSCCC(=O)N2)c1","InChI=1S/C12H12BrClN2O2S/c13-7-3-8(14)5-9(4-7)15-12(18)10-6-19-2-1-11(17)16-10/h3-5,10H,1-2,6H2,(H,15,18)(H,16,17)/t10-/m0/s1","BYVAPGOEUAONCD-JTQLQIEISA-N",null,">10000"]
["D14697",3773,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM41056","Clc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1OCC(=O)Nc1ccccc1","InChI=1S/C24H18ClN3O4/c25-19-12-16(10-11-21(19)31-15-23(29)27-18-7-2-1-3-8-18)14-26-28-24(30)22-13-17-6-4-5-9-20(17)32-22/h1-14H,15H2,(H,27,29)(H,28,30)","SCGRNQVEDWXYOS-UHFFFAOYSA-N",{"$nulls":3},6546]
["D14698",28461,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50275911","Clc1cc(Cl)cc(CNc2cc(Cl)nc3ccnn23)c1","InChI=1S/C13H9Cl3N4/c14-9-3-8(4-10(15)5-9)7-17-13-6-11(16)19-12-1-2-18-20(12)13/h1-6,17H,7H2","LPZCDXFSIHPJEF-UHFFFAOYSA-N",null,">30000"]
["D14699",25960,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481482","Clc1cc(Cl)cc(c1)C(N1CCN(CC1)C(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1","InChI=1S/C32H30Cl2N2O/c33-28-20-27(21-29(34)22-28)32(26-14-8-3-9-15-26)36-18-16-35(17-19-36)31(37)23-30(24-10-4-1-5-11-24)25-12-6-2-7-13-25/h1-15,20-22,30,32H,16-19,23H2","POPQMMOUZVBXFY-UHFFFAOYSA-N",null,170]
["D14700",31822,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46348","Clc1cc(NC(=O)c2cc3ccccc3o2)ccc1N1CCN(CC1)C(=O)c1ccco1","InChI=1S/C24H20ClN3O4/c25-18-15-17(26-23(29)22-14-16-4-1-2-5-20(16)32-22)7-8-19(18)27-9-11-28(12-10-27)24(30)21-6-3-13-31-21/h1-8,13-15H,9-12H2,(H,26,29)","LSOHJJMBUWNBFH-UHFFFAOYSA-N",null,16240]
["D14701",4944,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM55081","Clc1cc(NC(=O)c2ccccn2)ccc1N1C(=O)C2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O","InChI=1S/C21H16ClN3O3/c22-14-10-13(24-19(26)15-3-1-2-8-23-15)6-7-16(14)25-20(27)17-11-4-5-12(9-11)18(17)21(25)28/h1-8,10-12,17-18H,9H2,(H,24,26)/t11-,12+,17-,18?/m1/s1","LJUABYFUJVRUSJ-KNGMQDLYSA-N",{"$nulls":3},271082.9765]
["D14702",28450,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50275959","Clc1cc(NC(Cc2ccccc2)c2ccccc2)n2nccc2n1","InChI=1S/C20H17ClN4/c21-18-14-20(25-19(24-18)11-12-22-25)23-17(16-9-5-2-6-10-16)13-15-7-3-1-4-8-15/h1-12,14,17,23H,13H2","CDXMPTUQZHBUNX-UHFFFAOYSA-N",null,7500]
["D14703",28471,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50275910","Clc1cc(NCc2ccc(Cl)c(Cl)c2)n2nccc2n1","InChI=1S/C13H9Cl3N4/c14-9-2-1-8(5-10(9)15)7-17-13-6-11(16)19-12-3-4-18-20(12)13/h1-6,17H,7H2","NVCUBDIIXWNFOU-UHFFFAOYSA-N",null,">30000"]
["D14704",28470,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50275909","Clc1cc(NCc2ccc(Oc3ccccc3)cc2)n2nccc2n1","InChI=1S/C19H15ClN4O/c20-17-12-19(24-18(23-17)10-11-22-24)21-13-14-6-8-16(9-7-14)25-15-4-2-1-3-5-15/h1-12,21H,13H2","CMASVBJFCFMVDT-UHFFFAOYSA-N",null,">30000"]
["D14705",28443,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50275792","Clc1cc(NCc2ccccc2)n2nccc2n1","InChI=1S/C13H11ClN4/c14-11-8-13(18-12(17-11)6-7-16-18)15-9-10-4-2-1-3-5-10/h1-8,15H,9H2","IFDHYEGUTZWRTK-UHFFFAOYSA-N",null,1100]
["D14706",28459,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50275793","Clc1cc(NCc2ccccc2Cl)n2nccc2n1","InChI=1S/C13H10Cl2N4/c14-10-4-2-1-3-9(10)8-16-13-7-11(15)18-12-5-6-17-19(12)13/h1-7,16H,8H2","XYYUZFQFPKEYNV-UHFFFAOYSA-N",null,19100]
["D14707",28439,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50275960","Clc1cc(NCc2cccs2)n2nccc2n1","InChI=1S/C11H9ClN4S/c12-9-6-11(13-7-8-2-1-5-17-8)16-10(15-9)3-4-14-16/h1-6,13H,7H2","CYMQFMRIPVOICF-UHFFFAOYSA-N",null,350]
["D14708",28486,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50275090","Clc1cc2CCCC(Nc3nc4ccccc4[nH]3)c2cc1Cl","InChI=1S/C17H15Cl2N3/c18-12-8-10-4-3-7-14(11(10)9-13(12)19)20-17-21-15-5-1-2-6-16(15)22-17/h1-2,5-6,8-9,14H,3-4,7H2,(H2,20,21,22)","JHLGZRSIUIFADK-UHFFFAOYSA-N",null,null," 7.8",{"$nulls":3},7.35,"25.00 C"]
["D14709",14417,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50224883","Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3","InChI=1S/C20H18ClN7O3S/c21-13-5-15-17(6-14(13)24-9-12-8-23-11-32-12)30-3-1-2-4-31-19-16(7-22)25-10-18(27-19)28-20(29)26-15/h5-6,8,10-11,24H,1-4,9H2,(H2,26,27,28,29)","AZTMYWWWILJAKW-UHFFFAOYSA-N",">1525"]
["D14710",11910,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43056","Clc1ccc(-c2csc(n2)-c2ccc(cc2)C(=O)NCC=C)c(Cl)c1","InChI=1S/C19H14Cl2N2OS/c1-2-9-22-18(24)12-3-5-13(6-4-12)19-23-17(11-25-19)15-8-7-14(20)10-16(15)21/h2-8,10-11H,1,9H2,(H,22,24)","KISPWBYSMDMDOK-UHFFFAOYSA-N",{"$nulls":3},10900]
["D14711",4437,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66348","Clc1ccc(C(=O)Oc2cccc(C=O)c2)c(Cl)c1","InChI=1S/C14H8Cl2O3/c15-10-4-5-12(13(16)7-10)14(18)19-11-3-1-2-9(6-11)8-17/h1-8H","NYEOOFCETKEGDM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14712",4095,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM31771","Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1","InChI=1S/C18H14Cl4N2O/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21/h1-8,11,18H,9-10H2","MPIPASJGOJYODL-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14713",25984,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481481","Clc1ccc(C(N2CCN(CC(=O)N(c3ccccc3)c3ccccc3)CC2)c2ccccc2)c(Cl)c1","InChI=1S/C31H29Cl2N3O/c32-25-16-17-28(29(33)22-25)31(24-10-4-1-5-11-24)35-20-18-34(19-21-35)23-30(37)36(26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-17,22,31H,18-21,23H2","GGKXNHJATNHIDB-UHFFFAOYSA-N",null,510]
["D14714",25988,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481492","Clc1ccc(C(N2CCN(CC2)C(=O)CC(c2ccccc2)c2ccccc2)c2ccccc2)c(Cl)c1","InChI=1S/C32H30Cl2N2O/c33-27-16-17-28(30(34)22-27)32(26-14-8-3-9-15-26)36-20-18-35(19-21-36)31(37)23-29(24-10-4-1-5-11-24)25-12-6-2-7-13-25/h1-17,22,29,32H,18-21,23H2","UAEWMWAZJFGSNI-UHFFFAOYSA-N",null,">1000"]
["D14715",25981,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481495","Clc1ccc(C(N2CCN(CC2)C(=O)CN(c2ccccc2)c2ccccc2)c2ccccc2)c(Cl)c1","InChI=1S/C31H29Cl2N3O/c32-25-16-17-28(29(33)22-25)31(24-10-4-1-5-11-24)35-20-18-34(19-21-35)30(37)23-36(26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-17,22,31H,18-21,23H2","SZXAWCKROBFQPN-UHFFFAOYSA-N",null,460]
["D14716",25989,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel alpha1C/alpha2delta/beta1b","Homo sapiens","BDBM50481454","Clc1ccc(C(N2CCN(CC2)C(=O)NC(c2ccccc2)c2ccccc2)c2ccccc2)c(Cl)c1","InChI=1S/C31H29Cl2N3O/c32-26-16-17-27(28(33)22-26)30(25-14-8-3-9-15-25)35-18-20-36(21-19-35)31(37)34-29(23-10-4-1-5-11-23)24-12-6-2-7-13-24/h1-17,22,29-30H,18-21H2,(H,34,37)","DZQFEEZEXZOLKF-UHFFFAOYSA-N",null,1030]
["D14717",3995,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66898","Clc1ccc(C=NNC(=O)c2ccc3nc[nH]c3c2)c(Cl)c1","InChI=1S/C15H10Cl2N4O/c16-11-3-1-10(12(17)6-11)7-20-21-15(22)9-2-4-13-14(5-9)19-8-18-13/h1-8H,(H,18,19)(H,21,22)/b20-7+","INSCAFMGYGRJSL-IFRROFPPSA-N",{"$nulls":3},">350000"]
["D14718",3925,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66840","Clc1ccc(CCNC(=O)C2CCCN(C2)S(=O)(=O)N2CCCCCC2)cc1","InChI=1S/C20H30ClN3O3S/c21-19-9-7-17(8-10-19)11-12-22-20(25)18-6-5-15-24(16-18)28(26,27)23-13-3-1-2-4-14-23/h7-10,18H,1-6,11-16H2,(H,22,25)","IEPRLWGRDSYUHQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14719",32283,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446022","Clc1ccc(CN2CCN(CC2)C(=O)N2CCOCC2)cc1","InChI=1S/C16H22ClN3O2/c17-15-3-1-14(2-4-15)13-18-5-7-19(8-6-18)16(21)20-9-11-22-12-10-20/h1-4H,5-13H2","KCONUSOZXPPQQG-UHFFFAOYSA-N",null,">30000"]
["D14720",12050,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43181","Clc1ccc(CNC(=O)CCCn2c(=O)[nH]c3ccc(Br)cc3c2=O)cc1","InChI=1S/C19H17BrClN3O3/c20-13-5-8-16-15(10-13)18(26)24(19(27)23-16)9-1-2-17(25)22-11-12-3-6-14(21)7-4-12/h3-8,10H,1-2,9,11H2,(H,22,25)(H,23,27)","BWVRPSLUNHVZNS-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14721",11983,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43115","Clc1ccc(CNC(=S)Nc2ccccc2)c(Cl)c1","InChI=1S/C14H12Cl2N2S/c15-11-7-6-10(13(16)8-11)9-17-14(19)18-12-4-2-1-3-5-12/h1-8H,9H2,(H2,17,18,19)","UZZSBHPQFNQHIB-UHFFFAOYSA-N",{"$nulls":3},67270]
["D14722",28474,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50275854","Clc1ccc(CNc2cc(Cl)nc3ccnn23)cc1","InChI=1S/C13H10Cl2N4/c14-10-3-1-9(2-4-10)8-16-13-7-11(15)18-12-5-6-17-19(12)13/h1-7,16H,8H2","QVQWRDAMSXIRBB-UHFFFAOYSA-N",null,">30000"]
["D14723",28722,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50275155","Clc1ccc(CNc2nc3ccccc3[nH]2)cc1","InChI=1S/C14H12ClN3/c15-11-7-5-10(6-8-11)9-16-14-17-12-3-1-2-4-13(12)18-14/h1-8H,9H2,(H2,16,17,18)","GNCUDHLBPMQNEJ-UHFFFAOYSA-N",null,null,640]
["D14724",28723,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50275154","Clc1ccc(CNc2nc3ccccc3[nH]2)cc1Cl","InChI=1S/C14H11Cl2N3/c15-10-6-5-9(7-11(10)16)8-17-14-18-12-3-1-2-4-13(12)19-14/h1-7H,8H2,(H2,17,18,19)","CZPFDBASOLMDDM-UHFFFAOYSA-N",null,null,200]
["D14725",11779,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM67919","Clc1ccc(COc2ccc(NC(=S)Nc3ccccc3)cc2)c(Cl)c1","InChI=1S/C20H16Cl2N2OS/c21-15-7-6-14(19(22)12-15)13-25-18-10-8-17(9-11-18)24-20(26)23-16-4-2-1-3-5-16/h1-12H,13H2,(H2,23,24,26)","HUJNAXQVFZTBDR-UHFFFAOYSA-N",null,1386]
["D14726",32037,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46337","Clc1ccc(CSc2nnc(Cn3cnc4ccccc34)o2)cc1","InChI=1S/C17H13ClN4OS/c18-13-7-5-12(6-8-13)10-24-17-21-20-16(23-17)9-22-11-19-14-3-1-2-4-15(14)22/h1-8,11H,9-10H2","WKLPJFOCHXMHHO-UHFFFAOYSA-N",null,">55700"]
["D14727",3782,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66715","Clc1ccc(Cl)c(c1)C(=O)NCCN1CCOCC1","InChI=1S/C13H16Cl2N2O2/c14-10-1-2-12(15)11(9-10)13(18)16-3-4-17-5-7-19-8-6-17/h1-2,9H,3-8H2,(H,16,18)","LQMUIUYYANJRRA-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14728",12233,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM4537","Clc1ccc(Cn2cc(CCN3CCS(=O)(=O)CC3)c3ccccc23)cc1Cl","InChI=1S/C21H22Cl2N2O2S/c22-19-6-5-16(13-20(19)23)14-25-15-17(18-3-1-2-4-21(18)25)7-8-24-9-11-28(26,27)12-10-24/h1-6,13,15H,7-12,14H2","BPJVHYKTKRZBIP-UHFFFAOYSA-N",null,11139]
["D14729",32288,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446016","Clc1ccc(N2CCN(CC2)C(=O)N2CCOCC2)c(Cl)c1","InChI=1S/C15H19Cl2N3O2/c16-12-1-2-14(13(17)11-12)18-3-5-19(6-4-18)15(21)20-7-9-22-10-8-20/h1-2,11H,3-10H2","ZVSJDUNUGMVNIL-UHFFFAOYSA-N",null,">30000"]
["D14730",3973,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66879","Clc1ccc(N2CCOCC2)c(NC(=O)c2cccnc2)c1","InChI=1S/C16H16ClN3O2/c17-13-3-4-15(20-6-8-22-9-7-20)14(10-13)19-16(21)12-2-1-5-18-11-12/h1-5,10-11H,6-9H2,(H,19,21)","FPTNOAVHYADGRJ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14731",4308,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM65990","Clc1ccc(NC(=O)c2cccc(c2)N2C(=O)C=CC2=O)c(Cl)c1","InChI=1S/C17H10Cl2N2O3/c18-11-4-5-14(13(19)9-11)20-17(24)10-2-1-3-12(8-10)21-15(22)6-7-16(21)23/h1-9H,(H,20,24)","VXILOMWTKHSQQQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14732",25898,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM4851","Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1","InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)","YCOYDOIWSSHVCK-UHFFFAOYSA-N",null,null,">10000"]
["D14733",12229,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87267","Clc1ccc(OCC(=O)Nc2ccc(cc2)C(=O)NCc2cccnc2)cc1","InChI=1S/C21H18ClN3O3/c22-17-5-9-19(10-6-17)28-14-20(26)25-18-7-3-16(4-8-18)21(27)24-13-15-2-1-11-23-12-15/h1-12H,13-14H2,(H,24,27)(H,25,26)","SDVFGJJMZCWPCD-UHFFFAOYSA-N",null,10973]
["D14734",4712,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66641","Clc1ccc(OCCCC(=O)Nc2ncccn2)c(Cl)c1","InChI=1S/C14H13Cl2N3O2/c15-10-4-5-12(11(16)9-10)21-8-1-3-13(20)19-14-17-6-2-7-18-14/h2,4-7,9H,1,3,8H2,(H,17,18,19,20)","NXTLSXDRGJETNY-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14735",31828,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46387","Clc1ccc(OCc2cc(no2)-c2ccccc2)c(Cl)c1","InChI=1S/C16H11Cl2NO2/c17-12-6-7-16(14(18)8-12)20-10-13-9-15(19-21-13)11-4-2-1-3-5-11/h1-9H,10H2","LZTFBZHIRAVIKX-UHFFFAOYSA-N",null,17810]
["D14736",5033,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50283487","Clc1ccc(Oc2ccc(NC(=O)c3ccccn3)cc2Cl)nc1","InChI=1S/C17H11Cl2N3O2/c18-11-4-7-16(21-10-11)24-15-6-5-12(9-13(15)19)22-17(23)14-3-1-2-8-20-14/h1-10H,(H,22,23)","MZRLPXFGQKQHST-UHFFFAOYSA-N",{"$nulls":3},146]
["D14737",4604,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66554","Clc1ccc(\\C=C\\C(=O)NC2=NCCS2)cc1Cl","InChI=1S/C12H10Cl2N2OS/c13-9-3-1-8(7-10(9)14)2-4-11(17)16-12-15-5-6-18-12/h1-4,7H,5-6H2,(H,15,16,17)/b4-2+","ICJZSDARRFSAJS-DUXPYHPUSA-N",{"$nulls":3},">350000"]
["D14738",4628,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66575","Clc1ccc(cc1)-c1[nH]oc(=O)c1C=C1C=CC(=O)C=C1","InChI=1S/C16H10ClNO3/c17-12-5-3-11(4-6-12)15-14(16(20)21-18-15)9-10-1-7-13(19)8-2-10/h1-9,18H","ZWIUQXJARFWPRY-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14739",12197,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87260","Clc1ccc(cc1)-c1csc2ncnc(NCCN3CCOCC3)c12","InChI=1S/C18H19ClN4OS/c19-14-3-1-13(2-4-14)15-11-25-18-16(15)17(21-12-22-18)20-5-6-23-7-9-24-10-8-23/h1-4,11-12H,5-10H2,(H,20,21,22)","OMDJAPVEUWHHQK-UHFFFAOYSA-N",null,8153]
["D14740",11909,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43055","Clc1ccc(cc1)-c1ncc(s1)C(=O)c1ccc(Cl)cc1Cl","InChI=1S/C16H8Cl3NOS/c17-10-3-1-9(2-4-10)16-20-8-14(22-16)15(21)12-6-5-11(18)7-13(12)19/h1-8H","WDLMROXJUHCYDJ-UHFFFAOYSA-N",{"$nulls":3},38720]
["D14741",11908,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43054","Clc1ccc(cc1)-c1ncc(s1)C(=O)c1ccccc1","InChI=1S/C16H10ClNOS/c17-13-8-6-12(7-9-13)16-18-10-14(20-16)15(19)11-4-2-1-3-5-11/h1-10H","LSFVQNRVOSBHHU-UHFFFAOYSA-N",{"$nulls":3},21430]
["D14742",11953,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43086","Clc1ccc(cc1)-c1nnc2ccc(SCC(=O)N3CCCc4ccccc34)nn12","InChI=1S/C22H18ClN5OS/c23-17-9-7-16(8-10-17)22-25-24-19-11-12-20(26-28(19)22)30-14-21(29)27-13-3-5-15-4-1-2-6-18(15)27/h1-2,4,6-12H,3,5,13-14H2","QTHSBLZZBVBWJS-UHFFFAOYSA-N",{"$nulls":3},52350]
["D14743",12383,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42908","Clc1ccc(cc1)-c1nnc2sc(nn12)-c1ccc(Br)o1","InChI=1S/C13H6BrClN4OS/c14-10-6-5-9(20-10)12-18-19-11(16-17-13(19)21-12)7-1-3-8(15)4-2-7/h1-6H","PHKYMQGLMUFKFZ-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14744",11925,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43071","Clc1ccc(cc1)-n1c(=O)[nH]c2nc(SCc3ccccc3)ncc2c1=O","InChI=1S/C19H13ClN4O2S/c20-13-6-8-14(9-7-13)24-17(25)15-10-21-18(22-16(15)23-19(24)26)27-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,21,22,23,26)","ALZFOIACKVOXID-UHFFFAOYSA-N",{"$nulls":3},35580]
["D14745",32282,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446021","Clc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)N1CCOCC1","InChI=1S/C16H20ClN3O3/c17-14-3-1-13(2-4-14)15(21)18-5-7-19(8-6-18)16(22)20-9-11-23-12-10-20/h1-4H,5-12H2","DNTQFSARMMKYRS-UHFFFAOYSA-N",null,">30000"]
["D14746",32114,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43528","Clc1ccc(cc1)C(=O)N1CCN(CC1)c1ccnc2cc(Cl)ccc12","InChI=1S/C20H17Cl2N3O/c21-15-3-1-14(2-4-15)20(26)25-11-9-24(10-12-25)19-7-8-23-18-13-16(22)5-6-17(18)19/h1-8,13H,9-12H2","AAYTXOPXLXAKHP-UHFFFAOYSA-N",null,">55700"]
["D14747",12083,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87269","Clc1ccc(cc1)C(=O)NC(NC(=S)N1CCOCC1)C(Cl)(Cl)Cl","InChI=1S/C14H15Cl4N3O2S/c15-10-3-1-9(2-4-10)11(22)19-12(14(16,17)18)20-13(24)21-5-7-23-8-6-21/h1-4,12H,5-8H2,(H,19,22)(H,20,24)","WAMYHPVYOFPIMH-UHFFFAOYSA-N",null,3936]
["D14748",12042,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43173","Clc1ccc(cc1)C(=O)NN=Cc1cnc(s1)N1CCCCC1","InChI=1S/C16H17ClN4OS/c17-13-6-4-12(5-7-13)15(22)20-19-11-14-10-18-16(23-14)21-8-2-1-3-9-21/h4-7,10-11H,1-3,8-9H2,(H,20,22)","BXAPMVCILZEKLM-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14749",4551,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66505","Clc1ccc(cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1","InChI=1S/C20H21ClN2O2/c21-16-11-9-15(10-12-16)19(24)22-18-8-4-3-7-17(18)20(25)23-13-5-1-2-6-14-23/h3-4,7-12H,1-2,5-6,13-14H2,(H,22,24)","KFDDPMHUFQEHAL-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14750",3862,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66786","Clc1ccc(cc1)C(=O)Nc1ccccc1N1CCCCC1","InChI=1S/C18H19ClN2O/c19-15-10-8-14(9-11-15)18(22)20-16-6-2-3-7-17(16)21-12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-13H2,(H,20,22)","BOSXHOFYMXHVPF-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14751",28752,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50275235","Clc1ccc(cc1)C(=O)Nc1nc2ccccc2[nH]1","InChI=1S/C14H10ClN3O/c15-10-7-5-9(6-8-10)13(19)18-14-16-11-3-1-2-4-12(11)17-14/h1-8H,(H2,16,17,18,19)","CERLGXAGGNYXLC-UHFFFAOYSA-N",null,null,">10000"]
["D14752",25953,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","N-type calcium channel alpha-1b/alpha2delta-1/beta-1b","Homo sapiens","BDBM50481447","Clc1ccc(cc1)C(N1CCN(CC(=O)N(c2ccccc2)c2ccccc2)CC1)c1ccccc1","InChI=1S/C31H30ClN3O/c32-27-18-16-26(17-19-27)31(25-10-4-1-5-11-25)34-22-20-33(21-23-34)24-30(36)35(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-19,31H,20-24H2","CEXBUHRJNQKOBZ-UHFFFAOYSA-N",null,110]
["D14753",25955,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481470","Clc1ccc(cc1)C(N1CCN(CC1)C(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1","InChI=1S/C32H31ClN2O/c33-29-18-16-28(17-19-29)32(27-14-8-3-9-15-27)35-22-20-34(21-23-35)31(36)24-30(25-10-4-1-5-11-25)26-12-6-2-7-13-26/h1-19,30,32H,20-24H2","AOQSRDPSBXFFQW-UHFFFAOYSA-N",null,110]
["D14754",25982,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481452","Clc1ccc(cc1)C(N1CCN(CC1)C(=O)CN(c1ccccc1)c1ccccc1)c1ccccc1","InChI=1S/C31H30ClN3O/c32-27-18-16-26(17-19-27)31(25-10-4-1-5-11-25)34-22-20-33(21-23-34)30(36)24-35(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-19,31H,20-24H2","RLEMIIBGFDBVBD-UHFFFAOYSA-N",null,500]
["D14755",25973,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481455","Clc1ccc(cc1)C(N1CCN(CC1)C(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1","InChI=1S/C31H30ClN3O/c32-28-18-16-27(17-19-28)30(26-14-8-3-9-15-26)34-20-22-35(23-21-34)31(36)33-29(24-10-4-1-5-11-24)25-12-6-2-7-13-25/h1-19,29-30H,20-23H2,(H,33,36)","DOVZOQYQXHNCCN-UHFFFAOYSA-N",null,280]
["D14756",4433,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM50885","Clc1ccc(cc1)C1=Nc2ncnn2C(C1)c1ccco1","InChI=1S/C15H11ClN4O/c16-11-5-3-10(4-6-11)12-8-13(14-2-1-7-21-14)20-15(19-12)17-9-18-20/h1-7,9,13H,8H2","TXGJSNKKOPAOIP-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14757",31897,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50189924","Clc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12","InChI=1S/C16H13ClN6S/c17-10-6-4-9(5-7-10)13-8-24-16-21-20-15(23(16)22-13)14-11-2-1-3-12(11)18-19-14/h4-7H,1-3,8H2,(H,18,19)","ULCSNUROIAXSPI-UHFFFAOYSA-N",null,">50000"]
["D14758",31962,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM79531","Clc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cc([nH]n1)-c1ccccc1","InChI=1S/C19H13ClN6S/c20-14-8-6-13(7-9-14)17-11-27-19-24-23-18(26(19)25-17)16-10-15(21-22-16)12-4-2-1-3-5-12/h1-10H,11H2,(H,21,22)","JVYMSPPKDODTNF-UHFFFAOYSA-N",null,">50000"]
["D14759",31898,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM438765","Clc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1","InChI=1S/C19H13ClN6S/c20-14-8-6-13(7-9-14)17-11-27-19-24-23-18(26(19)25-17)16-10-15(21-22-16)12-4-2-1-3-5-12/h1-10H,11H2,(H,21,22)","JVYMSPPKDODTNF-UHFFFAOYSA-N",null,">50000"]
["D14760",32277,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50445996","Clc1ccc(cc1)N1CC2CC1CN2C(=O)N1CCOCC1","InChI=1S/C16H20ClN3O2/c17-12-1-3-13(4-2-12)19-10-15-9-14(19)11-20(15)16(21)18-5-7-22-8-6-18/h1-4,14-15H,5-11H2","XJKIQOQEOXVDDW-UHFFFAOYSA-N",null,">30000"]
["D14761",3940,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66854","Clc1ccc(cc1)N1CCN(CC1)C(=O)Cn1c2ncccc2n2cccc2c1=O","InChI=1S/C22H20ClN5O2/c23-16-5-7-17(8-6-16)25-11-13-26(14-12-25)20(29)15-28-21-18(3-1-9-24-21)27-10-2-4-19(27)22(28)30/h1-10H,11-15H2","KVNKRESZDZVNBD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14762",32281,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50445998","Clc1ccc(cc1)N1CCN(CC1)C(=O)N1CCCCC1","InChI=1S/C16H22ClN3O/c17-14-4-6-15(7-5-14)18-10-12-20(13-11-18)16(21)19-8-2-1-3-9-19/h4-7H,1-3,8-13H2","SKNKIGYAGQNWSR-UHFFFAOYSA-N",null,">30000"]
["D14763",32294,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446019","Clc1ccc(cc1)N1CCN(CC1)C(=O)N1CCOCC1","InChI=1S/C15H20ClN3O2/c16-13-1-3-14(4-2-13)17-5-7-18(8-6-17)15(20)19-9-11-21-12-10-19/h1-4H,5-12H2","KDSIRFZJOTZBPT-UHFFFAOYSA-N",null,">30000"]
["D14764",32280,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50445997","Clc1ccc(cc1)N1CCN(CC1)C(=O)N1CCSCC1","InChI=1S/C15H20ClN3OS/c16-13-1-3-14(4-2-13)17-5-7-18(8-6-17)15(20)19-9-11-21-12-10-19/h1-4H,5-12H2","OXCXCDMSPPIXFG-UHFFFAOYSA-N",null,">30000"]
["D14765",32278,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50445994","Clc1ccc(cc1)N1CCN(CC1)C(=O)N1CCc2ccccc2C1","InChI=1S/C20H22ClN3O/c21-18-5-7-19(8-6-18)22-11-13-23(14-12-22)20(25)24-10-9-16-3-1-2-4-17(16)15-24/h1-8H,9-15H2","KYIPVVYLFPHRLX-UHFFFAOYSA-N",null,">30000"]
["D14766",25958,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481484","Clc1ccc(cc1)[C@@H](N1CCN(CC1)C(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1","InChI=1S/C32H31ClN2O/c33-29-18-16-28(17-19-29)32(27-14-8-3-9-15-27)35-22-20-34(21-23-35)31(36)24-30(25-10-4-1-5-11-25)26-12-6-2-7-13-26/h1-19,30,32H,20-24H2/t32-/m0/s1","AOQSRDPSBXFFQW-YTTGMZPUSA-N",null,140]
["D14767",25948,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481477","Clc1ccc(cc1)[C@H](N1CCN(CC1)C(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1","InChI=1S/C32H31ClN2O/c33-29-18-16-28(17-19-29)32(27-14-8-3-9-15-27)35-22-20-34(21-23-35)31(36)24-30(25-10-4-1-5-11-25)26-12-6-2-7-13-26/h1-19,30,32H,20-24H2/t32-/m1/s1","AOQSRDPSBXFFQW-JGCGQSQUSA-N",null,50]
["D14768",25987,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481459","Clc1ccc(cc1Cl)C(N1CCN(CC1)C(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1","InChI=1S/C32H30Cl2N2O/c33-29-17-16-27(22-30(29)34)32(26-14-8-3-9-15-26)36-20-18-35(19-21-36)31(37)23-28(24-10-4-1-5-11-24)25-12-6-2-7-13-25/h1-17,22,28,32H,18-21,23H2","BYYRFINHECQVAV-UHFFFAOYSA-N",null,">1000"]
["D14769",31895,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50189922","Clc1ccc(cc1Cl)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12","InChI=1S/C16H12Cl2N6S/c17-10-5-4-8(6-11(10)18)13-7-25-16-22-21-15(24(16)23-13)14-9-2-1-3-12(9)19-20-14/h4-6H,1-3,7H2,(H,19,20)","AKVGDCSDHQWUBP-UHFFFAOYSA-N",null,">50000"]
["D14770",31896,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50189923","Clc1ccc(cc1Cl)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1","InChI=1S/C19H12Cl2N6S/c20-13-7-6-12(8-14(13)21)17-10-28-19-25-24-18(27(19)26-17)16-9-15(22-23-16)11-4-2-1-3-5-11/h1-9H,10H2,(H,22,23)","CCKWMWIBTCPOKM-UHFFFAOYSA-N",null,">50000"]
["D14771",31983,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50190103","Clc1ccc(cc1Cl)C1=Nn2c(SC1Cc1ccccc1)nnc2-c1[nH]nc2CCCc12","InChI=1S/C23H18Cl2N6S/c24-16-10-9-14(12-17(16)25)20-19(11-13-5-2-1-3-6-13)32-23-29-28-22(31(23)30-20)21-15-7-4-8-18(15)26-27-21/h1-3,5-6,9-10,12,19H,4,7-8,11H2,(H,26,27)","XCBQOVRKAWIVSX-UHFFFAOYSA-N",null,">50000"]
["D14772",31923,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM518397","Clc1ccc(cc1Cl)C1=Nn2c(SC1c1ccccc1)nnc2-c1[nH]nc2CCCc12",{"$nulls":3},">50000"]
["D14773",4250,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66251","Clc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)OCCNC(=O)c1ccncc1","InChI=1S/C20H22ClN3O5S/c21-17-5-4-16(14-18(17)30(27,28)24-11-2-1-3-12-24)20(26)29-13-10-23-19(25)15-6-8-22-9-7-15/h4-9,14H,1-3,10-13H2,(H,23,25)","IMSZSVHHIQOYLE-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14774",32106,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46399","Clc1ccc(cn1)C(=O)Nc1cccc(c1)S(=O)(=O)Nc1ccccc1Cl","InChI=1S/C18H13Cl2N3O3S/c19-15-6-1-2-7-16(15)23-27(25,26)14-5-3-4-13(10-14)22-18(24)12-8-9-17(20)21-11-12/h1-11,23H,(H,22,24)","GNGFOKQODMWBEP-UHFFFAOYSA-N",null,">55700"]
["D14775",32285,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446023","Clc1ccc(cn1)N1CCN(CC1)C(=O)N1CCOCC1","InChI=1S/C14H19ClN4O2/c15-13-2-1-12(11-16-13)17-3-5-18(6-4-17)14(20)19-7-9-21-10-8-19/h1-2,11H,3-10H2","LZILQUNTXWVUIA-UHFFFAOYSA-N",null,">30000"]
["D14776",32049,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM37028","Clc1ccc(s1)-c1csc(NC(=O)c2ccncc2)n1","InChI=1S/C13H8ClN3OS2/c14-11-2-1-10(20-11)9-7-19-13(16-9)17-12(18)8-3-5-15-6-4-8/h1-7H,(H,16,17,18)","WWHAQTXUFGXWME-UHFFFAOYSA-N",null,">55700"]
["D14777",31903,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50189933","Clc1ccc(s1)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12","InChI=1S/C14H11ClN6S2/c15-11-5-4-10(23-11)9-6-22-14-19-18-13(21(14)20-9)12-7-2-1-3-8(7)16-17-12/h4-5H,1-3,6H2,(H,16,17)","MFKNYPKFTRCBBQ-UHFFFAOYSA-N",null,">50000"]
["D14778",31904,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50189934","Clc1ccc(s1)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1","InChI=1S/C17H11ClN6S2/c18-15-7-6-14(26-15)13-9-25-17-22-21-16(24(17)23-13)12-8-11(19-20-12)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,20)","QVEWLOKTIAQSDI-UHFFFAOYSA-N",null,">50000"]
["D14779",28736,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50275052","Clc1ccc2C(CCCc2c1)Nc1nc2ccccc2[nH]1","InChI=1S/C17H16ClN3/c18-12-8-9-13-11(10-12)4-3-7-14(13)19-17-20-15-5-1-2-6-16(15)21-17/h1-2,5-6,8-10,14H,3-4,7H2,(H2,19,20,21)","FHZMWDRXYFGGNB-UHFFFAOYSA-N",null,null,120]
["D14780",28586,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50275184","Clc1ccc2C(N=O)C(=O)Nc2c1Cl","InChI=1S/C8H4Cl2N2O2/c9-4-2-1-3-6(5(4)10)11-8(13)7(3)12-14/h1-2,7H,(H,11,13)","BRCXDQBDNVIIAO-UHFFFAOYSA-N",">50000"]
["D14781",28735,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50275053","Clc1ccc2CCCC(Nc3nc4ccccc4[nH]3)c2c1","InChI=1S/C17H16ClN3/c18-12-9-8-11-4-3-7-14(13(11)10-12)19-17-20-15-5-1-2-6-16(15)21-17/h1-2,5-6,8-10,14H,3-4,7H2,(H2,19,20,21)","OJFKMFUSWAIMDW-UHFFFAOYSA-N",null,null,17]
["D14782",12405,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42928","Clc1ccc2[nH]c(=S)[nH]c2c1","InChI=1S/C7H5ClN2S/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,9,10,11)","ZZIHEYOZBRPWMB-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14783",4353,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66290","Clc1ccc2nc(cc(C(=O)N3CCN(CC3)C(=O)c3ccco3)c2c1)-c1ccccn1","InChI=1S/C24H19ClN4O3/c25-16-6-7-19-17(14-16)18(15-21(27-19)20-4-1-2-8-26-20)23(30)28-9-11-29(12-10-28)24(31)22-5-3-13-32-22/h1-8,13-15H,9-12H2","OBUKKGSQMPWBGM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14784",4590,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66540","Clc1ccc2nc(cc(C(=O)N3CCN(CCc4ccccc4)CC3)c2c1)-c1ccccn1","InChI=1S/C27H25ClN4O/c28-21-9-10-24-22(18-21)23(19-26(30-24)25-8-4-5-12-29-25)27(33)32-16-14-31(15-17-32)13-11-20-6-2-1-3-7-20/h1-10,12,18-19H,11,13-17H2","MOCGOOYPJSRPLE-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14785",32094,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46383","Clc1ccc2ncc(-c3nnnn3-c3ccccc3)c(-c3ccccc3)c2c1","InChI=1S/C22H14ClN5/c23-16-11-12-20-18(13-16)21(15-7-3-1-4-8-15)19(14-24-20)22-25-26-27-28(22)17-9-5-2-6-10-17/h1-14H","QCPYMEACPSNFNB-UHFFFAOYSA-N",null,">55700"]
["D14786",4264,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM37054","Clc1ccc2oc(SC3=CS(=O)(=O)c4ccccc34)nc2c1","InChI=1S/C15H8ClNO3S2/c16-9-5-6-12-11(7-9)17-15(20-12)21-13-8-22(18,19)14-4-2-1-3-10(13)14/h1-8H","AFYRYLBMABOAHJ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14787",25968,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481465","Clc1cccc(C(N2CCN(CC(=O)N(c3ccccc3)c3ccccc3)CC2)c2ccccc2)c1Cl","InChI=1S/C31H29Cl2N3O/c32-28-18-10-17-27(30(28)33)31(24-11-4-1-5-12-24)35-21-19-34(20-22-35)23-29(37)36(25-13-6-2-7-14-25)26-15-8-3-9-16-26/h1-18,31H,19-23H2","NIMFDABOPDBIHU-UHFFFAOYSA-N",null,240]
["D14788",25965,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481460","Clc1cccc(C(N2CCN(CC2)C(=O)CC(c2ccccc2)c2ccccc2)c2ccccc2)c1Cl","InChI=1S/C32H30Cl2N2O/c33-29-18-10-17-27(31(29)34)32(26-15-8-3-9-16-26)36-21-19-35(20-22-36)30(37)23-28(24-11-4-1-5-12-24)25-13-6-2-7-14-25/h1-18,28,32H,19-23H2","UQEYHZANEBZUSS-UHFFFAOYSA-N",null,220]
["D14789",25957,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481451","Clc1cccc(C(N2CCN(CC2)C(=O)CN(c2ccccc2)c2ccccc2)c2ccccc2)c1Cl","InChI=1S/C31H29Cl2N3O/c32-28-18-10-17-27(30(28)33)31(24-11-4-1-5-12-24)35-21-19-34(20-22-35)29(37)23-36(25-13-6-2-7-14-25)26-15-8-3-9-16-26/h1-18,31H,19-23H2","FMJSSIYEDJFGBC-UHFFFAOYSA-N",null,140]
["D14790",25962,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481491","Clc1cccc(C(N2CCN(CC2)C(=O)NC(c2ccccc2)c2ccccc2)c2ccccc2)c1Cl","InChI=1S/C31H29Cl2N3O/c32-27-18-10-17-26(28(27)33)30(25-15-8-3-9-16-25)35-19-21-36(22-20-35)31(37)34-29(23-11-4-1-5-12-23)24-13-6-2-7-14-24/h1-18,29-30H,19-22H2,(H,34,37)","JJWWPFHYFYVBMO-UHFFFAOYSA-N",null,200]
["D14791",4533,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66490","Clc1cccc(C=NNC(=O)c2ccc(Cn3cccn3)o2)c1","InChI=1S/C16H13ClN4O2/c17-13-4-1-3-12(9-13)10-18-20-16(22)15-6-5-14(23-15)11-21-8-2-7-19-21/h1-10H,11H2,(H,20,22)","PDFMWEPABOYSOO-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14792",16703,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153750","Clc1cccc(CCNC2=NC(=O)\\C(S2)=C\\c2ccc3ncccc3c2)c1","InChI=1S/C21H16ClN3OS/c22-17-5-1-3-14(12-17)8-10-24-21-25-20(26)19(27-21)13-15-6-7-18-16(11-15)4-2-9-23-18/h1-7,9,11-13H,8,10H2,(H,24,25,26)/b19-13-","YEBLRTZBIRRDLW-UYRXBGFRSA-N",null,505]
["D14793",3983,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66889","Clc1cccc(CN2[C@@H](CC3CCCCC3)COCCS2(=O)=O)c1","InChI=1S/C18H26ClNO3S/c19-17-8-4-7-16(11-17)13-20-18(12-15-5-2-1-3-6-15)14-23-9-10-24(20,21)22/h4,7-8,11,15,18H,1-3,5-6,9-10,12-14H2/t18-/m0/s1","QCXDGLLNHSMIBP-SFHVURJKSA-N",{"$nulls":3},">350000"]
["D14794",28449,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50275798","Clc1cccc(CNc2cc(Cl)nc3ccnn23)c1","InChI=1S/C13H10Cl2N4/c14-10-3-1-2-9(6-10)8-16-13-7-11(15)18-12-4-5-17-19(12)13/h1-7,16H,8H2","DSNZCUDNWQGHLN-UHFFFAOYSA-N",null,5200]
["D14795",25921,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM24654","Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1","InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)","OVPNQJVDAFNBDN-UHFFFAOYSA-N",null,null,">10000"]
["D14796",25964,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481461","Clc1cccc(Cl)c1C(N1CCN(CC1)C(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1","InChI=1S/C32H30Cl2N2O/c33-28-17-10-18-29(34)31(28)32(26-15-8-3-9-16-26)36-21-19-35(20-22-36)30(37)23-27(24-11-4-1-5-12-24)25-13-6-2-7-14-25/h1-18,27,32H,19-23H2","YYMGRGSETHUACY-UHFFFAOYSA-N",null,210]
["D14797",4036,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66937","Clc1cccc(NC(=O)Cn2cnc3c4cc5CCCCc5nc4oc3c2=O)c1","InChI=1S/C21H17ClN4O3/c22-13-5-3-6-14(9-13)24-17(27)10-26-11-23-18-15-8-12-4-1-2-7-16(12)25-20(15)29-19(18)21(26)28/h3,5-6,8-9,11H,1-2,4,7,10H2,(H,24,27)","FPLZYPKSLCLFPQ-UHFFFAOYSA-N",{"$nulls":3},48500]
["D14798",32127,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM32325","Clc1cccc(NC(=O)Nc2ccnc(n2)-c2cccnc2)c1","InChI=1S/C16H12ClN5O/c17-12-4-1-5-13(9-12)20-16(23)22-14-6-8-19-15(21-14)11-3-2-7-18-10-11/h1-10H,(H2,19,20,21,22,23)","GTZVHFRMLFQDFR-UHFFFAOYSA-N",null,">55700"]
["D14799",12075,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM50262","Clc1cccc(NC(=O)Nc2nnc(s2)-c2ccncc2)c1","InChI=1S/C14H10ClN5OS/c15-10-2-1-3-11(8-10)17-13(21)18-14-20-19-12(22-14)9-4-6-16-7-5-9/h1-8H,(H2,17,18,20,21)","WAUBPIYCKFHHSE-UHFFFAOYSA-N",null,3623]
["D14800",4618,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66566","Clc1cccc(NC(=O)c2ccc(OC(=S)N3CCOCC3)cc2)c1","InChI=1S/C18H17ClN2O3S/c19-14-2-1-3-15(12-14)20-17(22)13-4-6-16(7-5-13)24-18(25)21-8-10-23-11-9-21/h1-7,12H,8-11H2,(H,20,22)","KEWCGDMCMSRWDQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14801",4943,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM50293743","Clc1cccc(NC(=O)c2ccccn2)c1","InChI=1S/C12H9ClN2O/c13-9-4-3-5-10(8-9)15-12(16)11-6-1-2-7-14-11/h1-8H,(H,15,16)","SUYUTNCKIOLMAJ-UHFFFAOYSA-N",{"$nulls":3},235000]
["D14802",4083,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66974","Clc1cccc(\\C=C\\C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1Cl","InChI=1S/C18H11Cl2N3O4/c19-12-3-1-2-10(17(12)20)4-7-16(25)27-9-15(24)21-11-5-6-13-14(8-11)23-18(26)22-13/h1-8H,9H2,(H,21,24)/b7-4+","HRSJVKRMQVUAAO-QPJJXVBHSA-N",{"$nulls":3},">350000"]
["D14803",25977,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481487","Clc1cccc(c1)C(N1CCN(CC(=O)N(c2ccccc2)c2ccccc2)CC1)c1ccccc1","InChI=1S/C31H30ClN3O/c32-27-14-10-13-26(23-27)31(25-11-4-1-5-12-25)34-21-19-33(20-22-34)24-30(36)35(28-15-6-2-7-16-28)29-17-8-3-9-18-29/h1-18,23,31H,19-22,24H2","NTCNYPJNYIBPSC-UHFFFAOYSA-N",null,320]
["D14804",25946,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481476","Clc1cccc(c1)C(N1CCN(CC1)C(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1","InChI=1S/C32H31ClN2O/c33-29-18-10-17-28(23-29)32(27-15-8-3-9-16-27)35-21-19-34(20-22-35)31(36)24-30(25-11-4-1-5-12-25)26-13-6-2-7-14-26/h1-18,23,30,32H,19-22,24H2","IARAKTOMNMLDLY-UHFFFAOYSA-N",null,40]
["D14805",25974,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481485","Clc1cccc(c1)C(N1CCN(CC1)C(=O)CN(c1ccccc1)c1ccccc1)c1ccccc1","InChI=1S/C31H30ClN3O/c32-27-14-10-13-26(23-27)31(25-11-4-1-5-12-25)34-21-19-33(20-22-34)30(36)24-35(28-15-6-2-7-16-28)29-17-8-3-9-18-29/h1-18,23,31H,19-22,24H2","YZBMBXSAQFTDCP-UHFFFAOYSA-N",null,280]
["D14806",25979,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481456","Clc1cccc(c1)C(N1CCN(CC1)C(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1","InChI=1S/C31H30ClN3O/c32-28-18-10-17-27(23-28)30(26-15-8-3-9-16-26)34-19-21-35(22-20-34)31(36)33-29(24-11-4-1-5-12-24)25-13-6-2-7-14-25/h1-18,23,29-30H,19-22H2,(H,33,36)","MTACWCHMAADIEZ-UHFFFAOYSA-N",null,340]
["D14807",31886,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50189925","Clc1cccc(c1)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12","InChI=1S/C16H13ClN6S/c17-10-4-1-3-9(7-10)13-8-24-16-21-20-15(23(16)22-13)14-11-5-2-6-12(11)18-19-14/h1,3-4,7H,2,5-6,8H2,(H,18,19)","AKVSJXRSIWVHQE-UHFFFAOYSA-N",null,">45900"]
["D14808",31887,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM50189926","Clc1cccc(c1)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1","InChI=1S/C19H13ClN6S/c20-14-8-4-7-13(9-14)17-11-27-19-24-23-18(26(19)25-17)16-10-15(21-22-16)12-5-2-1-3-6-12/h1-10H,11H2,(H,21,22)","KZYRIPLWMMBMBL-UHFFFAOYSA-N",null,">45900"]
["D14809",32202,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43641","Clc1cccc(c1)C1N(CCc2c1[nH]c1ccccc21)C(=O)CCN1CCOCC1","InChI=1S/C24H26ClN3O2/c25-18-5-3-4-17(16-18)24-23-20(19-6-1-2-7-21(19)26-23)8-11-28(24)22(29)9-10-27-12-14-30-15-13-27/h1-7,16,24,26H,8-15H2","CIWDYMHOQXSHQT-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D14810",4567,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66519","Clc1cccc(c1)N1C(=O)NC(=Cc2ccc(o2)N2CCOCC2)C1=O","InChI=1S/C18H16ClN3O4/c19-12-2-1-3-13(10-12)22-17(23)15(20-18(22)24)11-14-4-5-16(26-14)21-6-8-25-9-7-21/h1-5,10-11H,6-9H2,(H,20,24)","OSSCOCGGWZTOFR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14811",32302,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446033","Clc1cccc(c1)N1CCN(CC1)C(=O)N1CCOCC1","InChI=1S/C15H20ClN3O2/c16-13-2-1-3-14(12-13)17-4-6-18(7-5-17)15(20)19-8-10-21-11-9-19/h1-3,12H,4-11H2","SIAVARWAJKXANO-UHFFFAOYSA-N",null,">30000"]
["D14812",28737,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50275051","Clc1cccc2C(CCCc12)Nc1nc2ccccc2[nH]1","InChI=1S/C17H16ClN3/c18-13-7-3-6-12-11(13)5-4-10-14(12)19-17-20-15-8-1-2-9-16(15)21-17/h1-3,6-9,14H,4-5,10H2,(H2,19,20,21)","JXQZLHYWQBGVOS-UHFFFAOYSA-N",null,null,44]
["D14813",28734,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50275091","Clc1cccc2CCCC(Nc3nc4ccccc4[nH]3)c12","InChI=1S/C17H16ClN3/c18-12-7-3-5-11-6-4-10-15(16(11)12)21-17-19-13-8-1-2-9-14(13)20-17/h1-3,5,7-9,15H,4,6,10H2,(H2,19,20,21)","JYVJZLHVBHWWNS-UHFFFAOYSA-N",null,null,27]
["D14814",11996,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43128","Clc1cccc2c(Br)ccc(SCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nccs3)c12","InChI=1S/C21H15BrClN3O3S3/c22-16-8-9-18(20-15(16)2-1-3-17(20)23)31-12-19(27)25-13-4-6-14(7-5-13)32(28,29)26-21-24-10-11-30-21/h1-11H,12H2,(H,24,26)(H,25,27)","LFEWVFGQDZKNAT-UHFFFAOYSA-N",{"$nulls":3},84200]
["D14815",12420,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42940","Clc1cccc2sc(nc12)N1CCN(CC1)c1ccccc1","InChI=1S/C17H16ClN3S/c18-14-7-4-8-15-16(14)19-17(22-15)21-11-9-20(10-12-21)13-5-2-1-3-6-13/h1-8H,9-12H2","XFUSOUZKMFKPKM-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14816",11838,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42991","Clc1ccccc1-c1nc(c(CC(=O)Nc2ccccc2)s1)-c1ccccc1","InChI=1S/C23H17ClN2OS/c24-19-14-8-7-13-18(19)23-26-22(16-9-3-1-4-10-16)20(28-23)15-21(27)25-17-11-5-2-6-12-17/h1-14H,15H2,(H,25,27)","NWDOIBMYMMJMDS-UHFFFAOYSA-N",{"$nulls":3},11330]
["D14817",4263,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM30860","Clc1ccccc1-c1nc2cc(NC(=O)c3cncc(Br)c3)ccc2o1","InChI=1S/C19H11BrClN3O2/c20-12-7-11(9-22-10-12)18(25)23-13-5-6-17-16(8-13)24-19(26-17)14-3-1-2-4-15(14)21/h1-10H,(H,23,25)","KPIQFMUOSWEVOO-UHFFFAOYSA-N",{"$nulls":3},41050]
["D14818",32166,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43606","Clc1ccccc1-c1nnc(NC(=O)c2nc3ccccc3s2)o1","InChI=1S/C16H9ClN4O2S/c17-10-6-2-1-5-9(10)14-20-21-16(23-14)19-13(22)15-18-11-7-3-4-8-12(11)24-15/h1-8H,(H,19,21,22)","GBIIBNOFRIZKOG-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D14819",12196,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM64363","Clc1ccccc1-c1noc(CCCC(=O)NC2CCCC2)n1","InChI=1S/C17H20ClN3O2/c18-14-9-4-3-8-13(14)17-20-16(23-21-17)11-5-10-15(22)19-12-6-1-2-7-12/h3-4,8-9,12H,1-2,5-7,10-11H2,(H,19,22)","GHGKDXIKDAEWDX-UHFFFAOYSA-N",null,8143]
["D14820",12222,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87347","Clc1ccccc1C(=O)N\\N=C(/c1ccccc1)c1ccccn1","InChI=1S/C19H14ClN3O/c20-16-11-5-4-10-15(16)19(24)23-22-18(14-8-2-1-3-9-14)17-12-6-7-13-21-17/h1-13H,(H,23,24)/b22-18+","CZUSCKWTXPKQFZ-RELWKKBWSA-N",null,10149]
["D14821",11961,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43094","Clc1ccccc1C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1Cc1ccccc1","InChI=1S/C25H16ClN5O/c26-19-11-5-4-10-17(19)25(32)30-23-18(14-27)22-24(29-21-13-7-6-12-20(21)28-22)31(23)15-16-8-2-1-3-9-16/h1-13H,15H2,(H,30,32)","GKOLASTZGRTADS-UHFFFAOYSA-N",{"$nulls":3},9381]
["D14822",32101,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46391","Clc1ccccc1C(=O)Oc1cccc(Nc2ncnc3ccccc23)c1","InChI=1S/C21H14ClN3O2/c22-18-10-3-1-8-16(18)21(26)27-15-7-5-6-14(12-15)25-20-17-9-2-4-11-19(17)23-13-24-20/h1-13H,(H,23,24,25)","RCXVWLCVTINCAH-UHFFFAOYSA-N",null,">55700"]
["D14823",25947,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481448","Clc1ccccc1C(N1CCN(CC(=O)N(c2ccccc2)c2ccccc2)CC1)c1ccccc1","InChI=1S/C31H30ClN3O/c32-29-19-11-10-18-28(29)31(25-12-4-1-5-13-25)34-22-20-33(21-23-34)24-30(36)35(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-19,31H,20-24H2","ROOQZCIZDJRFFY-UHFFFAOYSA-N",null,50]
["D14824",25951,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481475","Clc1ccccc1C(N1CCN(CC1)C(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1","InChI=1S/C32H31ClN2O/c33-30-19-11-10-18-28(30)32(27-16-8-3-9-17-27)35-22-20-34(21-23-35)31(36)24-29(25-12-4-1-5-13-25)26-14-6-2-7-15-26/h1-19,29,32H,20-24H2","JWHAZXDKSGAIEK-UHFFFAOYSA-N",null,90]
["D14825",25978,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481490","Clc1ccccc1C(N1CCN(CC1)C(=O)CN(c1ccccc1)c1ccccc1)c1ccccc1","InChI=1S/C31H30ClN3O/c32-29-19-11-10-18-28(29)31(25-12-4-1-5-13-25)34-22-20-33(21-23-34)30(36)24-35(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-19,31H,20-24H2","APFIMMRBLUEEJX-UHFFFAOYSA-N",null,320]
["D14826",25961,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481474","Clc1ccccc1C(N1CCN(CC1)C(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1","InChI=1S/C31H30ClN3O/c32-28-19-11-10-18-27(28)30(26-16-8-3-9-17-26)34-20-22-35(23-21-34)31(36)33-29(24-12-4-1-5-13-24)25-14-6-2-7-15-25/h1-19,29-30H,20-23H2,(H,33,36)","UZBVUMAEAIQRKF-UHFFFAOYSA-N",null,180]
["D14827",4228,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM56906","Clc1ccccc1CN(Cc1ccccc1)c1ncnc2nc[nH]c12","InChI=1S/C19H16ClN5/c20-16-9-5-4-8-15(16)11-25(10-14-6-2-1-3-7-14)19-17-18(22-12-21-17)23-13-24-19/h1-9,12-13H,10-11H2,(H,21,22,23,24)","BVXQOOHENWQFFB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14828",12035,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43166","Clc1ccccc1CSCCC(=O)NCc1cccs1","InChI=1S/C15H16ClNOS2/c16-14-6-2-1-4-12(14)11-19-9-7-15(18)17-10-13-5-3-8-20-13/h1-6,8H,7,9-11H2,(H,17,18)","KOVRLQPUFINSJR-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14829",4505,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM61616","Clc1ccccc1Cn1ncc(Cl)c(Cl)c1=O","InChI=1S/C11H7Cl3N2O/c12-8-4-2-1-3-7(8)6-16-11(17)10(14)9(13)5-15-16/h1-5H,6H2","OCSOJUHXYHYEKJ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14830",32304,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446035","Clc1ccccc1N1CCN(CC1)C(=O)N1CCOCC1","InChI=1S/C15H20ClN3O2/c16-13-3-1-2-4-14(13)17-5-7-18(8-6-17)15(20)19-9-11-21-12-10-19/h1-4H,5-12H2","FRZSDKFZWFXGQJ-UHFFFAOYSA-N",null,">30000"]
["D14831",16222,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478359","Clc1ccccc1N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3nc(no3)C3CC3)c2)CC1","InChI=1S/C28H27ClN8O/c29-21-3-1-2-4-24(21)37-13-11-36(12-14-37)17-18-9-10-30-25(15-18)33-28-31-22-8-7-20(16-23(22)32-28)27-34-26(35-38-27)19-5-6-19/h1-4,7-10,15-16,19H,5-6,11-14,17H2,(H2,30,31,32,33)","KEAMXRUSMSOROC-UHFFFAOYSA-N",null,102]
["D14832",16685,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478365","Clc1ccccc1N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3noc(n3)C3CC3)c2)CC1","InChI=1S/C28H27ClN8O/c29-21-3-1-2-4-24(21)37-13-11-36(12-14-37)17-18-9-10-30-25(15-18)33-28-31-22-8-7-20(16-23(22)32-28)26-34-27(38-35-26)19-5-6-19/h1-4,7-10,15-16,19H,5-6,11-14,17H2,(H2,30,31,32,33)","ZGIWBINWFUVMMP-UHFFFAOYSA-N",null,481]
["D14833",4409,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66329","Clc1ccccc1\\C=C(/N1C=CC=CC1=C(C#N)C#N)C(=O)c1ccccc1","InChI=1S/C23H14ClN3O/c24-20-11-5-4-10-18(20)14-22(23(28)17-8-2-1-3-9-17)27-13-7-6-12-21(27)19(15-25)16-26/h1-14H/b22-14-","BERRLCGUJHDHIO-HMAPJEAMSA-N",{"$nulls":3},7337]
["D14834",16484,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478774","Clc1cnc(cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C25H25ClN8O/c26-22-14-28-21(13-29-22)18-3-4-19-20(12-18)31-25(30-19)32-23-11-16(5-6-27-23)15-33-7-9-34(10-8-33)24(35)17-1-2-17/h3-6,11-14,17H,1-2,7-10,15H2,(H2,27,30,31,32)","CIHJXHOHFGRUJN-UHFFFAOYSA-N",null,290]
["D14835",4519,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM43424","Clc1cnn(CC(=O)NCC2CCCCC2)c(=O)c1Cl","InChI=1S/C13H17Cl2N3O2/c14-10-7-17-18(13(20)12(10)15)8-11(19)16-6-9-4-2-1-3-5-9/h7,9H,1-6,8H2,(H,16,19)","VJTYXYHEDHOHEI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14836",12226,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM72898","Clc1nc(Cl)c(C(=O)NCc2ccccc2)c(Cl)c1Cl","InChI=1S/C13H8Cl4N2O/c14-9-8(11(16)19-12(17)10(9)15)13(20)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,18,20)","MAKAUYWKQYUZPW-UHFFFAOYSA-N",null,10685]
["D14837",4619,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66567","Clc1nc(NCc2ccco2)nc(n1)N1CCCCC1","InChI=1S/C13H16ClN5O/c14-11-16-12(15-9-10-5-4-8-20-10)18-13(17-11)19-6-2-1-3-7-19/h4-5,8H,1-3,6-7,9H2,(H,15,16,17,18)","OXZOBPDTKHWPGM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14838",4667,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66607","Clc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Br)cc1","InChI=1S/C14H9BrClN3O2S/c15-9-5-7-10(8-6-9)22(20,21)19-14-13(16)17-11-3-1-2-4-12(11)18-14/h1-8H,(H,18,19)","GFSLHDOVHKQJQL-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14839",16563,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478514","Clc1ncc(cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C25H25ClN8O/c26-24-28-13-19(14-29-24)18-3-4-20-21(12-18)31-25(30-20)32-22-11-16(5-6-27-22)15-33-7-9-34(10-8-33)23(35)17-1-2-17/h3-6,11-14,17H,1-2,7-10,15H2,(H2,27,30,31,32)","JUZYVQTYLGHBML-UHFFFAOYSA-N",null,380]
["D14840",16410,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478886","Clc1sccc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C25H25ClN6OS/c26-23-19(6-12-34-23)18-3-4-20-21(14-18)29-25(28-20)30-22-13-16(5-7-27-22)15-31-8-10-32(11-9-31)24(33)17-1-2-17/h3-7,12-14,17H,1-2,8-11,15H2,(H2,27,28,29,30)","CYWOTEVUSMKZMO-UHFFFAOYSA-N",null,223]
["D14841",32085,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46371","Cn1c(CN2CCCCC2)nc2cc(NC(=O)c3cccc(Br)c3)ccc12","InChI=1S/C21H23BrN4O/c1-25-19-9-8-17(23-21(27)15-6-5-7-16(22)12-15)13-18(19)24-20(25)14-26-10-3-2-4-11-26/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,23,27)","WJUUHRHDGJFIEO-UHFFFAOYSA-N",null,">55700"]
["D14842",31786,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43584","Cn1c(CNc2ccccc2O)nc2ccccc12","InChI=1S/C15H15N3O/c1-18-13-8-4-2-6-11(13)17-15(18)10-16-12-7-3-5-9-14(12)19/h2-9,16,19H,10H2,1H3","QTECLMZPRWGCNZ-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D14843",17968,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570042","Cn1c(Cl)ncc1-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(F)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D14844",3445,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Microtubule-associated protein tau","Bos taurus","BDBM142853","Cn1c(NCC(=O)c2ccc(Cl)cc2)nc(cc1=O)-c1ncncc1F","InChI=1S/C17H13ClFN5O2/c1-24-15(26)6-13(16-12(19)7-20-9-22-16)23-17(24)21-8-14(25)10-2-4-11(18)5-3-10/h2-7,9H,8H2,1H3,(H,21,23)","GGKJVEBAZKAPHN-UHFFFAOYSA-N",null,607.9,{"$nulls":4},6.5,"25.00 C"]
["D14845",25873,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM31088","Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12","InChI=1S/C24H16F6N6O/c1-36-19-7-6-15(10-17(19)34-22(36)33-14-4-2-13(3-5-14)23(25,26)27)37-16-8-9-31-18(11-16)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34)","YABJJWZLRMPFSI-UHFFFAOYSA-N",null,null,">10000"]
["D14846",11874,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43023","Cn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1cc2ccccc2o1","InChI=1S/C19H15BrN4O2S/c1-24-18(16-9-12-5-2-3-8-15(12)26-16)22-23-19(24)27-11-17(25)21-14-7-4-6-13(20)10-14/h2-10H,11H2,1H3,(H,21,25)","BEGKXXXIAVVHRO-UHFFFAOYSA-N",{"$nulls":3},18280]
["D14847",4761,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66682","Cn1c(SCc2ccccc2)nc(N)c(N=O)c1=O","InChI=1S/C12H12N4O2S/c1-16-11(17)9(15-18)10(13)14-12(16)19-7-8-5-3-2-4-6-8/h2-6H,7,13H2,1H3","PYKIPUJGJCTELE-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14848",31811,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43538","Cn1c(cc2c1c1ccccc1[nH]c2=O)C(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O","InChI=1S/C23H21N5O4/c1-25-20(14-18-21(25)17-4-2-3-5-19(17)24-22(18)29)23(30)27-12-10-26(11-13-27)15-6-8-16(9-7-15)28(31)32/h2-9,14H,10-13H2,1H3,(H,24,29)","YYEIWOVVAJAFOW-UHFFFAOYSA-N",null,13500]
["D14849",12415,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42744","Cn1c(cc2c1c1ccccc1[nH]c2=O)C(=O)NCc1ccco1","InChI=1S/C18H15N3O3/c1-21-15(18(23)19-10-11-5-4-8-24-11)9-13-16(21)12-6-2-3-7-14(12)20-17(13)22/h2-9H,10H2,1H3,(H,19,23)(H,20,22)","OQVSVPSMGQBUMJ-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14850",4810,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50305869","Cn1c(cc2onc(-c3ccccc3)c2c1=O)-c1ccc(F)cc1","InChI=1S/C19H13FN2O2/c1-22-15(12-7-9-14(20)10-8-12)11-16-17(19(22)23)18(21-24-16)13-5-3-2-4-6-13/h2-11H,1H3","VDMVEELPMLKEOR-UHFFFAOYSA-N",null,72]
["D14851",4806,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50196291","Cn1c(cc2onc(-c3ccccc3)c2c1=O)-c1ccc2OCOc2c1","InChI=1S/C20H14N2O4/c1-22-14(13-7-8-15-16(9-13)25-11-24-15)10-17-18(20(22)23)19(21-26-17)12-5-3-2-4-6-12/h2-10H,11H2,1H3","OVMZTCWKQUHSEH-UHFFFAOYSA-N",null,26]
["D14852",4811,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50305874","Cn1c(cc2onc(-c3ccccc3)c2c1=O)-c1cccc(c1)C(F)(F)F","InChI=1S/C20H13F3N2O2/c1-25-15(13-8-5-9-14(10-13)20(21,22)23)11-16-17(19(25)26)18(24-27-16)12-6-3-2-4-7-12/h2-11H,1H3","LSWFLNNWMCGJGL-UHFFFAOYSA-N",null,96]
["D14853",4802,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50305859","Cn1c(cc2onc(-c3ccccc3)c2c1=O)-c1ccccc1","InChI=1S/C19H14N2O2/c1-21-15(13-8-4-2-5-9-13)12-16-17(19(21)22)18(20-23-16)14-10-6-3-7-11-14/h2-12H,1H3","LCNDUGHNYMJGIW-UHFFFAOYSA-N",null,20]
["D14854",4848,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50305867","Cn1c(cc2onc(-c3ccccn3)c2c1=O)-c1ccccc1","InChI=1S/C18H13N3O2/c1-21-14(12-7-3-2-4-8-12)11-15-16(18(21)22)17(20-23-15)13-9-5-6-10-19-13/h2-11H,1H3","GIIFHMOHLHHYCT-UHFFFAOYSA-N",null,1000]
["D14855",4816,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50305866","Cn1c(cc2onc(-c3cccnc3)c2c1=O)-c1ccccc1","InChI=1S/C18H13N3O2/c1-21-14(12-6-3-2-4-7-12)10-15-16(18(21)22)17(20-23-15)13-8-5-9-19-11-13/h2-11H,1H3","BJYLAOMUPXSMMJ-UHFFFAOYSA-N",null,240]
["D14856",4812,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50305865","Cn1c(cc2onc(-c3ccncc3)c2c1=O)-c1ccccc1","InChI=1S/C18H13N3O2/c1-21-14(12-5-3-2-4-6-12)11-15-16(18(21)22)17(20-23-15)13-7-9-19-10-8-13/h2-11H,1H3","BGCDFCJIPDVNPE-UHFFFAOYSA-N",null,101]
["D14857",3440,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Microtubule-associated protein tau","Bos taurus","BDBM142849","Cn1c(nc(cc1=O)-c1ncncc1F)N1CCCC(C1)c1ccc(cc1)N1CCCC1","InChI=1S/C24H27FN6O/c1-29-22(32)13-21(23-20(25)14-26-16-27-23)28-24(29)31-12-4-5-18(15-31)17-6-8-19(9-7-17)30-10-2-3-11-30/h6-9,13-14,16,18H,2-5,10-12,15H2,1H3","LAJZWJRXRVTCNU-UHFFFAOYSA-N",null,33.1,{"$nulls":4},6.5,"25.00 C"]
["D14858",3437,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Microtubule-associated protein tau","Bos taurus","BDBM142850","Cn1c(nc(cc1=O)-c1ncncc1F)N1CCNC(C1)c1ccc(cc1)[N+]#[C-]","InChI=1S/C20H18FN7O/c1-22-14-5-3-13(4-6-14)17-11-28(8-7-24-17)20-26-16(9-18(29)27(20)2)19-15(21)10-23-12-25-19/h3-6,9-10,12,17,24H,7-8,11H2,2H3","KTZPDNBOHASFOR-UHFFFAOYSA-N",null,10.1,{"$nulls":4},6.5,"25.00 C"]
["D14859",3441,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Microtubule-associated protein tau","Bos taurus","BDBM142847","Cn1c(nc(cc1=O)-c1ncncc1F)N1CCOC[C@H]1CF","InChI=1S/C14H15F2N5O2/c1-20-12(22)4-11(13-10(16)6-17-8-18-13)19-14(20)21-2-3-23-7-9(21)5-15/h4,6,8-9H,2-3,5,7H2,1H3/t9-/m1/s1","ZEYGZDLKLBWSRR-SECBINFHSA-N",null,33.4,{"$nulls":4},6.5,"25.00 C"]
["D14860",12402,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42925","Cn1c(nc2ccccc12)C(C#N)C(=O)COc1ccc2ccccc2c1","InChI=1S/C22H17N3O2/c1-25-20-9-5-4-8-19(20)24-22(25)18(13-23)21(26)14-27-17-11-10-15-6-2-3-7-16(15)12-17/h2-12,18H,14H2,1H3","BNYUSRDDRBVYDE-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14861",32063,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM37177","Cn1c2ccc(cc2oc1=O)S(=O)(=O)N1CCCC(C1)C(=O)N1CCC(=CC1)c1ccccc1","InChI=1S/C25H27N3O5S/c1-26-22-10-9-21(16-23(22)33-25(26)30)34(31,32)28-13-5-8-20(17-28)24(29)27-14-11-19(12-15-27)18-6-3-2-4-7-18/h2-4,6-7,9-11,16,20H,5,8,12-15,17H2,1H3","OWBGISLNTYHBAE-UHFFFAOYSA-N",null,">55700"]
["D14862",11820,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42976","Cn1c2ccccc2c(O)c(C(=O)NC2CCCCCCC2)c1=O","InChI=1S/C19H24N2O3/c1-21-15-12-8-7-11-14(15)17(22)16(19(21)24)18(23)20-13-9-5-3-2-4-6-10-13/h7-8,11-13,22H,2-6,9-10H2,1H3,(H,20,23)","ATOBZIKJNPMPRM-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14863",3935,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66850","Cn1c2ccccc2c2cnn(CC(=O)NCCCN3CCN(CC3)c3ccccc3F)c(=O)c12","InChI=1S/C26H29FN6O2/c1-30-22-9-4-2-7-19(22)20-17-29-33(26(35)25(20)30)18-24(34)28-11-6-12-31-13-15-32(16-14-31)23-10-5-3-8-21(23)27/h2-5,7-10,17H,6,11-16,18H2,1H3,(H,28,34)","LSWUAYMNJOSKKQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14864",11907,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43053","Cn1c2ccccc2nc(Oc2cc(Cl)cc(Cl)c2)c1=O","InChI=1S/C15H10Cl2N2O2/c1-19-13-5-3-2-4-12(13)18-14(15(19)20)21-11-7-9(16)6-10(17)8-11/h2-8H,1H3","YXQFPFUKTDCPOJ-UHFFFAOYSA-N",{"$nulls":3},28790]
["D14865",4424,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66339","Cn1c2ccccc2sc1=NC(=O)CCl","InChI=1S/C10H9ClN2OS/c1-13-7-4-2-3-5-8(7)15-10(13)12-9(14)6-11/h2-5H,6H2,1H3","OSJWKPHEUAQQKR-UHFFFAOYSA-N",{"$nulls":3},214000]
["D14866",12081,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM7009","Cn1c2nc(COc3ccc(cc3)C(C)(C)C)[nH]c2c(=O)n(C)c1=O","InChI=1S/C18H22N4O3/c1-18(2,3)11-6-8-12(9-7-11)25-10-13-19-14-15(20-13)21(4)17(24)22(5)16(14)23/h6-9H,10H2,1-5H3,(H,19,20)","FXCSOKVUMFCIKV-UHFFFAOYSA-N",null,3848]
["D14867",17636,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50135286","Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F","InChI=1S/C22H15F2N5O3S/c1-29-20-13(9-19(21(29)30)33(31,32)18-5-2-14(23)10-16(18)24)11-26-22(28-20)27-15-3-4-17-12(8-15)6-7-25-17/h2-11,25H,1H3,(H,26,27,28)","ZEHBZHZMQSHZFI-UHFFFAOYSA-N",null,">10000"]
["D14868",12064,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87584","Cn1c2nc(Oc3ccccc3F)n(CC=C)c2c(=O)n(C)c1=O","InChI=1S/C16H15FN4O3/c1-4-9-21-12-13(19(2)16(23)20(3)14(12)22)18-15(21)24-11-8-6-5-7-10(11)17/h4-8H,1,9H2,2-3H3","BQEYVDDGYNNMTQ-UHFFFAOYSA-N",null,3362]
["D14869",13521,"6zfo_A",0.4,"Spike glycoprotein","Endochitinase B1","Aspergillus fumigatiaffinis","BDM19238303","Cn1c2nc[nH]c2c(=O)n(C)c1=O","InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)","ZFXYFBGIUFBOJW-UHFFFAOYSA-N",-7870.70092555432,-48026.59121214,33556.3449206119,{"$nulls":3},6.73722724411512]
["D14870",12012,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43143","Cn1c2ncn(CCN=C3CCCCCN3)c2c(=O)n(C)c1=O","InChI=1S/C15H22N6O2/c1-19-13-12(14(22)20(2)15(19)23)21(10-18-13)9-8-17-11-6-4-3-5-7-16-11/h10H,3-9H2,1-2H3,(H,16,17)","QDNUXYCWZSDOGV-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14871",17537,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM331160","Cn1cc(-c2c[nH]c3ncccc23)c2ccncc12","InChI=1S/C15H12N4/c1-19-9-13(10-4-6-16-8-14(10)19)12-7-18-15-11(12)3-2-5-17-15/h2-9H,1H3,(H,17,18)","VSHWMPUHAKNKTG-UHFFFAOYSA-N",null,5500]
["D14872",17539,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM2699","Cn1cc(C2=C(C(=O)NC2=O)c2c3CC(CN)Cn3c3ccccc23)c2ccccc12","InChI=1S/C25H22N4O2/c1-28-13-17(15-6-2-4-8-18(15)28)22-23(25(31)27-24(22)30)21-16-7-3-5-9-19(16)29-12-14(11-26)10-20(21)29/h2-9,13-14H,10-12,26H2,1H3,(H,27,30,31)","NMGBFXCDTNEKFF-UHFFFAOYSA-N",null,5620]
["D14873",17054,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50313012","Cn1cc(C2=C(C(=O)NC2=O)c2c3CN(CCn3c3ccccc23)C(N)=S)c2ccccc12","InChI=1S/C25H21N5O2S/c1-28-12-16(14-6-2-4-8-17(14)28)21-22(24(32)27-23(21)31)20-15-7-3-5-9-18(15)30-11-10-29(25(26)33)13-19(20)30/h2-9,12H,10-11,13H2,1H3,(H2,26,33)(H,27,31,32)","BTWNSUFXMWNHMU-UHFFFAOYSA-N",null,1760]
["D14874",17787,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM2711","Cn1cc(C2=C(C(=O)NC2=O)c2c3CNCCn3c3ccccc23)c2ccccc12","InChI=1S/C24H20N4O2/c1-27-13-16(14-6-2-4-8-17(14)27)21-22(24(30)26-23(21)29)20-15-7-3-5-9-18(15)28-11-10-25-12-19(20)28/h2-9,13,25H,10-12H2,1H3,(H,26,29,30)","WGLDKILPHLGLGQ-UHFFFAOYSA-N",null,">2.0e+4"]
["D14875",17274,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM2590","Cn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12","InChI=1S/C21H15N3O2/c1-24-11-15(13-7-3-5-9-17(13)24)19-18(20(25)23-21(19)26)14-10-22-16-8-4-2-6-12(14)16/h2-11,22H,1H3,(H,23,25,26)","SEAKDKTVXBDRHV-UHFFFAOYSA-N",null,2690]
["D14876",17786,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM2597","Cn1cc(C2=C(C(=O)NC2=O)c2cccc3ccccc23)c2ccccc12","InChI=1S/C23H16N2O2/c1-25-13-18(16-10-4-5-12-19(16)25)21-20(22(26)24-23(21)27)17-11-6-8-14-7-2-3-9-15(14)17/h2-13H,1H3,(H,24,26,27)","STTILKKNKXMNIF-UHFFFAOYSA-N",null,">2.0e+4"]
["D14877",17252,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM2624","Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3cc(ccc23)C(N)=O)c2ccccc12","InChI=1S/C23H18N4O3/c1-26-10-15(13-5-3-4-6-17(13)26)19-20(23(30)25-22(19)29)16-11-27(2)18-9-12(21(24)28)7-8-14(16)18/h3-11H,1-2H3,(H2,24,28)(H,25,29,30)","JDFHTCHKNZWWME-UHFFFAOYSA-N",null,2240]
["D14878",16850,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM2623","Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3cc(ccc23)C(O)=O)c2ccccc12","InChI=1S/C23H17N3O4/c1-25-10-15(13-5-3-4-6-17(13)25)19-20(22(28)24-21(19)27)16-11-26(2)18-9-12(23(29)30)7-8-14(16)18/h3-11H,1-2H3,(H,29,30)(H,24,27,28)","BQVYRVFEBOGTBZ-UHFFFAOYSA-N",null,971]
["D14879",17050,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM2606","Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccc(Cl)cc23)c2ccccc12","InChI=1S/C22H16ClN3O2/c1-25-10-15(13-5-3-4-6-17(13)25)19-20(22(28)24-21(19)27)16-11-26(2)18-8-7-12(23)9-14(16)18/h3-11H,1-2H3,(H,24,27,28)","VVLJRAHYERPXFH-UHFFFAOYSA-N",null,1670]
["D14880",17403,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM2608","Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccc(N)cc23)c2ccccc12","InChI=1S/C22H18N4O2/c1-25-10-15(13-5-3-4-6-17(13)25)19-20(22(28)24-21(19)27)16-11-26(2)18-8-7-12(23)9-14(16)18/h3-11H,23H2,1-2H3,(H,24,27,28)","LSAVPOITAZCHEO-UHFFFAOYSA-N",null,3370]
["D14881",16738,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM2591","Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12","InChI=1S/C22H17N3O2/c1-24-11-15(13-7-3-5-9-17(13)24)19-20(22(27)23-21(19)26)16-12-25(2)18-10-6-4-8-14(16)18/h3-12H,1-2H3,(H,23,26,27)","DWLMLPCWSGBXMZ-UHFFFAOYSA-N",null,558]
["D14882",25892,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM50128285","Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12","InChI=1S/C32H29N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39)","AXRCEOKUDYDWLF-UHFFFAOYSA-N",null,null,">10000"]
["D14883",16817,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM3180","Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCCC(N)=N)c3ccccc23)c2ccccc12","InChI=1S/C26H25N5O2/c1-30-14-18(16-8-2-4-10-20(16)30)23-24(26(33)29-25(23)32)19-15-31(13-7-6-12-22(27)28)21-11-5-3-9-17(19)21/h2-5,8-11,14-15H,6-7,12-13H2,1H3,(H3,27,28)(H,29,32,33)","XIFBOSNPWOEMFB-UHFFFAOYSA-N",null,800]
["D14884",16678,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM3166","Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCCCO)c3ccccc23)c2ccccc12","InChI=1S/C26H25N3O3/c1-28-15-19(17-9-3-5-11-21(17)28)23-24(26(32)27-25(23)31)20-16-29(13-7-2-8-14-30)22-12-6-4-10-18(20)22/h3-6,9-12,15-16,30H,2,7-8,13-14H2,1H3,(H,27,31,32)","BSBODCATJMRXPP-UHFFFAOYSA-N",null,469]
["D14885",16561,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM3177","Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCCCSC(N)=N)c3ccccc23)c2ccccc12","InChI=1S/C27H27N5O2S/c1-31-15-19(17-9-3-5-11-21(17)31)23-24(26(34)30-25(23)33)20-16-32(22-12-6-4-10-18(20)22)13-7-2-8-14-35-27(28)29/h3-6,9-12,15-16H,2,7-8,13-14H2,1H3,(H3,28,29)(H,30,33,34)","HPYZDMGHSZUKPM-UHFFFAOYSA-N",null,376]
["D14886",17785,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM3169","Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCCN)c3ccccc23)c2ccccc12","InChI=1S/C25H24N4O2/c1-28-14-18(16-8-2-4-10-20(16)28)22-23(25(31)27-24(22)30)19-15-29(13-7-6-12-26)21-11-5-3-9-17(19)21/h2-5,8-11,14-15H,6-7,12-13,26H2,1H3,(H,27,30,31)","SSAOZDCFQCAHNO-UHFFFAOYSA-N",null,">2.0e+4"]
["D14887",16991,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM3165","Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCCO)c3ccccc23)c2ccccc12","InChI=1S/C25H23N3O3/c1-27-14-18(16-8-2-4-10-20(16)27)22-23(25(31)26-24(22)30)19-15-28(12-6-7-13-29)21-11-5-3-9-17(19)21/h2-5,8-11,14-15,29H,6-7,12-13H2,1H3,(H,26,30,31)","DIBQJDJFXJGVJC-UHFFFAOYSA-N",null,1200]
["D14888",16967,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM2695","Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN)c3ccccc23)c2ccccc12","InChI=1S/C24H22N4O2/c1-27-13-17(15-7-2-4-9-19(15)27)21-22(24(30)26-23(21)29)18-14-28(12-6-11-25)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12,25H2,1H3,(H,26,29,30)","UQHKJRCFSLMWIA-UHFFFAOYSA-N",null,1050]
["D14889",16675,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153744","Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCNC(N)=N)c3ccccc23)c2ccccc12","InChI=1S/C25H24N6O2/c1-30-13-17(15-7-2-4-9-19(15)30)21-22(24(33)29-23(21)32)18-14-31(12-6-11-28-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H4,26,27,28)(H,29,32,33)","MFBWLCFHQHKTBP-UHFFFAOYSA-N",null,461]
["D14890",15439,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153745","Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN\\C(N)=N\\[N+]([O-])=O)c3ccccc23)c2ccccc12","InChI=1S/C25H23N7O4/c1-30-13-17(15-7-2-4-9-19(15)30)21-22(24(34)28-23(21)33)18-14-31(20-10-5-3-8-16(18)20)12-6-11-27-25(26)29-32(35)36/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27,29)(H,28,33,34)","QWOYFIJNWGMAQA-UHFFFAOYSA-N",null,26]
["D14891",16466,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM3164","Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCO)c3ccccc23)c2ccccc12","InChI=1S/C24H21N3O3/c1-26-13-17(15-7-2-4-9-19(15)26)21-22(24(30)25-23(21)29)18-14-27(11-6-12-28)20-10-5-3-8-16(18)20/h2-5,7-10,13-14,28H,6,11-12H2,1H3,(H,25,29,30)","FUVJGBQDHCCGCD-UHFFFAOYSA-N",null,270]
["D14892",16773,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM3175","Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12","InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32)","DSXXEELGXBCYNQ-UHFFFAOYSA-N",null,656]
["D14893",16840,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM3174","Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCSC(N)=N)c3ccccc23)c2ccccc12","InChI=1S/C24H21N5O2S/c1-28-12-16(14-6-2-4-8-18(14)28)20-21(23(31)27-22(20)30)17-13-29(10-11-32-24(25)26)19-9-5-3-7-15(17)19/h2-9,12-13H,10-11H2,1H3,(H3,25,26)(H,27,30,31)","OGEQEAYTMFZUQU-UHFFFAOYSA-N",null,883]
["D14894",16421,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50312994","Cn1cc(C2=C(Nc3ccccc3)C(=O)NC2=O)c2ccccc12","InChI=1S/C19H15N3O2/c1-22-11-14(13-9-5-6-10-15(13)22)16-17(19(24)21-18(16)23)20-12-7-3-2-4-8-12/h2-11H,1H3,(H2,20,21,23,24)","JJNQVVXLJXQVLY-UHFFFAOYSA-N",null,231]
["D14895",16043,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246036","Cn1cc(NC(=O)[C@H]2CCCN2c2ncc(cc2C#N)-c2ccnc(Nc3cnn(C)c3)n2)cn1","InChI=1S/C23H23N11O/c1-32-13-17(11-27-32)29-22(35)20-4-3-7-34(20)21-15(9-24)8-16(10-26-21)19-5-6-25-23(31-19)30-18-12-28-33(2)14-18/h5-6,8,10-14,20H,3-4,7H2,1-2H3,(H,29,35)(H,25,30,31)/t20-/m1/s1","IDCGJODQYHWQCN-HXUWFJFHSA-N",null,"<100",{"$nulls":4},7.5]
["D14896",9,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401899","Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1","InChI=1S/C19H27N7O/c1-26-12-15(10-23-26)24-19-22-11-16(13-6-7-13)17(25-19)20-8-3-9-21-18(27)14-4-2-5-14/h10-14H,2-9H2,1H3,(H,21,27)(H2,20,22,24,25)","YOFJPZPGHXWQJB-UHFFFAOYSA-N",null,170]
["D14897",16511,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148134","Cn1cc(Nc2nccc(n2)-c2ccc(N3CCC(CC3)C(N)=O)c(c2)C#N)cn1","InChI=1S/C21H22N8O/c1-28-13-17(12-25-28)26-21-24-7-4-18(27-21)15-2-3-19(16(10-15)11-22)29-8-5-14(6-9-29)20(23)30/h2-4,7,10,12-14H,5-6,8-9H2,1H3,(H2,23,30)(H,24,26,27)","DQGNBSROXUZAHD-UHFFFAOYSA-N",null,"<300",{"$nulls":4},7.5]
["D14898",16011,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246074","Cn1cc(Nc2nccc(n2)-c2ccc(N3CCC(CC3)C(N)=O)c(n2)C#N)cn1","InChI=1S/C20H21N9O/c1-28-12-14(11-24-28)25-20-23-7-4-16(27-20)15-2-3-18(17(10-21)26-15)29-8-5-13(6-9-29)19(22)30/h2-4,7,11-13H,5-6,8-9H2,1H3,(H2,22,30)(H,23,25,27)","UKIJYZHCXHSVJG-UHFFFAOYSA-N",null,"<100",{"$nulls":4},7.5]
["D14899",15579,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148088","Cn1cc(Nc2nccc(n2)-c2ccc(N3CCCC3)c(c2)C#N)cn1","InChI=1S/C19H19N7/c1-25-13-16(12-22-25)23-19-21-7-6-17(24-19)14-4-5-18(15(10-14)11-20)26-8-2-3-9-26/h4-7,10,12-13H,2-3,8-9H2,1H3,(H,21,23,24)","KFYPPJYKQDMGCV-UHFFFAOYSA-N",null,"<30",{"$nulls":4},7.5]
["D14900",15601,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148133","Cn1cc(Nc2nccc(n2)-c2ccc(N3CC[C@H](O)C3)c(c2)C#N)cn1","InChI=1S/C19H19N7O/c1-25-11-15(10-22-25)23-19-21-6-4-17(24-19)13-2-3-18(14(8-13)9-20)26-7-5-16(27)12-26/h2-4,6,8,10-11,16,27H,5,7,12H2,1H3,(H,21,23,24)/t16-/m0/s1","FTRUCIDFCFXYAU-INIZCTEOSA-N",null,"<30",{"$nulls":4},7.5]
["D14901",16010,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246073","Cn1cc(Nc2nccc(n2)-c2ccc(N3CC[C@H](O)C3)c(n2)C#N)cn1","InChI=1S/C18H18N8O/c1-25-10-12(9-21-25)22-18-20-6-4-15(24-18)14-2-3-17(16(8-19)23-14)26-7-5-13(27)11-26/h2-4,6,9-10,13,27H,5,7,11H2,1H3,(H,20,22,24)/t13-/m0/s1","JNJBOCNGANOPTC-ZDUSSCGKSA-N",null,"<100",{"$nulls":4},7.5]
["D14902",15245,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246039","Cn1cc(Nc2nccc(n2)-c2cnc(N3C4CCC3CC(O)C4)c(c2)C#N)cn1","InChI=1S/C21H22N8O/c1-28-12-15(11-25-28)26-21-23-5-4-19(27-21)14-6-13(9-22)20(24-10-14)29-16-2-3-17(29)8-18(30)7-16/h4-6,10-12,16-18,30H,2-3,7-8H2,1H3,(H,23,26,27)","CSSGYZUNMAWHNP-UHFFFAOYSA-N",null,"<15",{"$nulls":4},7.5]
["D14903",16046,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246040","Cn1cc(Nc2nccc(n2)-c2cnc(N3C4CCC3COC4)c(c2)C#N)cn1","InChI=1S/C20H20N8O/c1-27-10-15(9-24-27)25-20-22-5-4-18(26-20)14-6-13(7-21)19(23-8-14)28-16-2-3-17(28)12-29-11-16/h4-6,8-10,16-17H,2-3,11-12H2,1H3,(H,22,25,26)","XYMVPUPLJIXEPI-UHFFFAOYSA-N",null,"<100",{"$nulls":4},7.5]
["D14904",16045,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246038","Cn1cc(Nc2nccc(n2)-c2cnc(N3CCC[C@@H]3C(N)=O)c(c2)C#N)cn1","InChI=1S/C19H19N9O/c1-27-11-14(10-24-27)25-19-22-5-4-15(26-19)13-7-12(8-20)18(23-9-13)28-6-2-3-16(28)17(21)29/h4-5,7,9-11,16H,2-3,6H2,1H3,(H2,21,29)(H,22,25,26)/t16-/m1/s1","CHSLBFLJIKSYFU-MRXNPFEDSA-N",null,"<100",{"$nulls":4},7.5]
["D14905",16879,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246035","Cn1cc(Nc2nccc(n2)-c2cnc(N3CCC[C@@H]3C(O)=O)c(c2)C#N)cn1","InChI=1S/C19H18N8O2/c1-26-11-14(10-23-26)24-19-21-5-4-15(25-19)13-7-12(8-20)17(22-9-13)27-6-2-3-16(27)18(28)29/h4-5,7,9-11,16H,2-3,6H2,1H3,(H,28,29)(H,21,24,25)/t16-/m1/s1","KBNXBTCDRKTDCR-MRXNPFEDSA-N",null,"<1000",{"$nulls":4},7.5]
["D14906",16044,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246037","Cn1cc(Nc2nccc(n2)-c2cnc(N3CCC[C@H]3C#N)c(c2)C#N)cn1","InChI=1S/C19H17N9/c1-27-12-15(11-24-27)25-19-22-5-4-17(26-19)14-7-13(8-20)18(23-10-14)28-6-2-3-16(28)9-21/h4-5,7,10-12,16H,2-3,6H2,1H3,(H,22,25,26)/t16-/m0/s1","KGBHFGYIQUOGQH-INIZCTEOSA-N",null,"<100",{"$nulls":4},7.5]
["D14907",15628,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245935","Cn1cc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1","InChI=1S/C18H17FN8/c1-26-11-15(9-23-26)24-18-21-4-2-16(25-18)13-6-12(7-20)17(22-8-13)27-5-3-14(19)10-27/h2,4,6,8-9,11,14H,3,5,10H2,1H3,(H,21,24,25)/t14-/m0/s1","MDUNRSWUMFMTLZ-AWEZNQCLSA-N",null,"<30",{"$nulls":4},7.5]
["D14908",16020,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245944","Cn1cc(Nc2nccc(n2)-c2cnc(N3CC[C@H](O)C3)c(c2)C#N)cn1","InChI=1S/C18H18N8O/c1-25-10-14(9-22-25)23-18-20-4-2-16(24-18)13-6-12(7-19)17(21-8-13)26-5-3-15(27)11-26/h2,4,6,8-10,15,27H,3,5,11H2,1H3,(H,20,23,24)/t15-/m0/s1","OTVZZVXDNOCJDI-HNNXBMFYSA-N",null,"<100",{"$nulls":4},7.5]
["D14909",16876,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246020","Cn1cc(Nc2nccc(n2)-c2cnc(NC3CCOC3)c(c2)C#N)cn1","InChI=1S/C18H18N8O/c1-26-10-15(9-22-26)24-18-20-4-2-16(25-18)13-6-12(7-19)17(21-8-13)23-14-3-5-27-11-14/h2,4,6,8-10,14H,3,5,11H2,1H3,(H,21,23)(H,20,24,25)","WVJPKNOQXFGHGR-UHFFFAOYSA-N",null,"<1000",{"$nulls":4},7.5]
["D14910",14882,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277786","Cn1cc(Nc2ncnc(n2)-c2ccc(N3CCCC3)c(c2)C#N)cn1","InChI=1S/C18H18N8/c1-25-11-15(10-22-25)23-18-21-12-20-17(24-18)13-4-5-16(14(8-13)9-19)26-6-2-3-7-26/h4-5,8,10-12H,2-3,6-7H2,1H3,(H,20,21,23,24)","XJRBKRKVNGQEPX-UHFFFAOYSA-N",null,7]
["D14911",14491,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277787","Cn1cc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1","InChI=1S/C19H19N7O2/c1-26-11-15(10-23-26)24-19-22-12-21-18(25-19)13-2-3-17(14(8-13)9-20)28-16-4-6-27-7-5-16/h2-3,8,10-12,16H,4-7H2,1H3,(H,21,22,24,25)","ILMIYGFJNQSXMA-UHFFFAOYSA-N",null,3]
["D14912",4449,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66427","Cn1cc(c(n1)C(=O)Nc1cc(Oc2ccccc2)cc(c1)[N+]([O-])=O)[N+]([O-])=O","InChI=1S/C17H13N5O6/c1-20-10-15(22(26)27)16(19-20)17(23)18-11-7-12(21(24)25)9-14(8-11)28-13-5-3-2-4-6-13/h2-10H,1H3,(H,18,23)","HVDDFEFAGZPZGS-UHFFFAOYSA-N",{"$nulls":3},55030]
["D14913",14569,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276898","Cn1cc(cn1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C23H21N5O2/c1-28-14-17(13-26-28)21-11-20-19(4-7-25-23(20)27-21)15-2-3-22(16(10-15)12-24)30-18-5-8-29-9-6-18/h2-4,7,10-11,13-14,18H,5-6,8-9H2,1H3,(H,25,27)","WKVLVOVZAQKAFP-UHFFFAOYSA-N",null,3.68]
["D14914",14578,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276905","Cn1cc(cn1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C22H20N6O2/c1-28-12-16(11-26-28)19-9-18-21(24-13-25-22(18)27-19)14-2-3-20(15(8-14)10-23)30-17-4-6-29-7-5-17/h2-3,8-9,11-13,17H,4-7H2,1H3,(H,24,25,27)","SBRWSTZGLKCGQC-UHFFFAOYSA-N",null,3.81]
["D14915",15823,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478487","Cn1cc(cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C25H28N8O/c1-31-16-20(14-27-31)19-4-5-21-22(13-19)29-25(28-21)30-23-12-17(6-7-26-23)15-32-8-10-33(11-9-32)24(34)18-2-3-18/h4-7,12-14,16,18H,2-3,8-11,15H2,1H3,(H2,26,28,29,30)","UMJOINCRUHTGEW-UHFFFAOYSA-N",null,52.7]
["D14916",15929,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478488","Cn1cc(cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CCC4)ccn3)[nH]c2c1","InChI=1S/C26H30N8O/c1-32-17-21(15-28-32)20-5-6-22-23(14-20)30-26(29-22)31-24-13-18(7-8-27-24)16-33-9-11-34(12-10-33)25(35)19-3-2-4-19/h5-8,13-15,17,19H,2-4,9-12,16H2,1H3,(H2,27,29,30,31)","JXVPNRXPCIRMSG-UHFFFAOYSA-N",null,73.9]
["D14917",15837,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50520147","Cn1cc(cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C24H25F3N8O/c1-33-15-18(13-29-33)17-2-3-19-20(11-17)31-23(30-19)32-21-10-16(4-5-28-21)14-34-6-8-35(9-7-34)22(36)12-24(25,26)27/h2-5,10-11,13,15H,6-9,12,14H2,1H3,(H2,28,30,31,32)","RDFHITQJRDVSMP-UHFFFAOYSA-N",null,55]
["D14918",15871,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478486","Cn1cc(cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC4CC4)ccn3)[nH]c2c1","InChI=1S/C26H30N8O/c1-32-17-21(15-28-32)20-4-5-22-23(14-20)30-26(29-22)31-24-12-19(6-7-27-24)16-33-8-10-34(11-9-33)25(35)13-18-2-3-18/h4-7,12,14-15,17-18H,2-3,8-11,13,16H2,1H3,(H2,27,29,30,31)","UNPKIBVOMHSDBF-UHFFFAOYSA-N",null,62.5]
["D14919",25872,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM60589","Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1","InChI=1S/C18H13N7S/c1-24-11-13(10-20-24)16-6-7-17-21-22-18(25(17)23-16)26-14-4-5-15-12(9-14)3-2-8-19-15/h2-11H,1H3","BCZUAADEACICHN-UHFFFAOYSA-N",null,null,">10000"]
["D14920",16329,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209701","Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)Nc1ccncc1","InChI=1S/C15H14N6O/c1-21-9-11(8-19-21)10-6-13(14(16)18-7-10)15(22)20-12-2-4-17-5-3-12/h2-9H,1H3,(H2,16,18)(H,17,20,22)","VSGIYMAWHNSRDN-UHFFFAOYSA-N",null,160,{"$nulls":4},7.5,"30.00 C"]
["D14921",16953,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM331161","Cn1cc(cn1)-c1cnc2[nH]cc(-c3c[nH]c4cnccc34)c2c1","InChI=1S/C18H14N6/c1-24-10-12(6-23-24)11-4-14-16(8-22-18(14)21-5-11)15-7-20-17-9-19-3-2-13(15)17/h2-10,20H,1H3,(H,21,22)","QEKJMVPBZHTKHP-UHFFFAOYSA-N",null,"<1000"]
["D14922",16954,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM331166","Cn1cc(cn1)-c1cnc2[nH]cc(-c3cn(C)c4cnccc34)c2c1","InChI=1S/C19H16N6/c1-24-11-17(14-3-4-20-9-18(14)24)16-8-22-19-15(16)5-12(6-21-19)13-7-23-25(2)10-13/h3-11H,1-2H3,(H,21,22)","ZVVZTCJTEKTKSF-UHFFFAOYSA-N",null,"<1000"]
["D14923",16951,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM331155","Cn1cc(cn1)-c1cnc2[nH]cc(-c3cn(c4cnccc34)S(=O)(=O)c3ccccc3)c2c1","InChI=1S/C24H18N6O2S/c1-29-14-17(11-28-29)16-9-20-21(12-27-24(20)26-10-16)22-15-30(23-13-25-8-7-19(22)23)33(31,32)18-5-3-2-4-6-18/h2-15H,1H3,(H,26,27)","WGLOAYNMZIWPCF-UHFFFAOYSA-N",null,"<1000"]
["D14924",15072,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50536678","Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F","InChI=1S/C17H13F3N6OS/c1-25-6-12(4-23-25)11-3-21-15-13(5-24-26(15)7-11)10-2-14(28-8-10)16(27)22-9-17(18,19)20/h2-8H,9H2,1H3,(H,22,27)","UEFCSGDOOJJXTN-UHFFFAOYSA-N",null,"<10.0"]
["D14925",14990,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50536679","Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N","InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18+/m0/s1","LYADGAGFYYXXIO-ZWKOTPCHSA-N",null,"<1.000000"]
["D14926",15768,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276930","Cn1cc(cn1)-c1nc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C22H20N6O2/c1-28-13-16(12-25-28)21-26-20-18(4-7-24-22(20)27-21)14-2-3-19(15(10-14)11-23)30-17-5-8-29-9-6-17/h2-4,7,10,12-13,17H,5-6,8-9H2,1H3,(H,24,26,27)","RAIVHQQRQQKFFV-UHFFFAOYSA-N",null,44.2]
["D14927",15144,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276922","Cn1cc(cn1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C21H19N7O2/c1-28-11-15(10-25-28)20-26-19-18(23-12-24-21(19)27-20)13-2-3-17(14(8-13)9-22)30-16-4-6-29-7-5-16/h2-3,8,10-12,16H,4-7H2,1H3,(H,23,24,26,27)","OAYVEVAGVZYBHT-UHFFFAOYSA-N",null,12.4]
["D14928",15514,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278241","Cn1cc(cn1)C(O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C34H37FN10O4/c1-42-17-24(16-39-42)31(46)33(47)45-9-8-30(28(35)18-45)49-29-7-2-22(14-23(29)15-36)32-37-21-38-34(41-32)40-25-3-5-26(6-4-25)43-10-12-44(13-11-43)27-19-48-20-27/h2-7,14,16-17,21,27-28,30-31,46H,8-13,18-20H2,1H3,(H,37,38,40,41)/t28-,30+,31?/m1/s1","VMZKTQYNZJXJLA-IBBQOIMNSA-N",null,30]
["D14929",14504,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277925","Cn1cc(nn1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C32H34FN11O3/c1-41-17-27(39-40-41)31(45)44-9-8-29(26(33)16-44)47-28-7-2-21(14-22(28)15-34)30-35-20-36-32(38-30)37-23-3-5-24(6-4-23)42-10-12-43(13-11-42)25-18-46-19-25/h2-7,14,17,20,25-26,29H,8-13,16,18-19H2,1H3,(H,35,36,37,38)/t26-,29+/m1/s1","QWNVCHBNAFIWBO-UHSQPCAPSA-N",null,3]
["D14930",17325,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278219","Cn1cc(nn1)C(=O)N1C[C@@H](F)[C@@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C(C)(C)C1","InChI=1S/C34H38FN11O3/c1-34(2)20-46(32(47)28-17-43(3)42-41-28)16-27(35)30(34)49-29-9-4-22(14-23(29)15-36)31-37-21-38-33(40-31)39-24-5-7-25(8-6-24)44-10-12-45(13-11-44)26-18-48-19-26/h4-9,14,17,21,26-27,30H,10-13,16,18-20H2,1-3H3,(H,37,38,39,40)/t27-,30-/m1/s1","LDSIOVBYKHXKIK-POURPWNDSA-N",null,3000,{"$nulls":4},7]
["D14931",4635,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM43462","Cn1cc\\c(=N/C=C(C#N)C#N)c2ccccc12","InChI=1S/C14H10N4/c1-18-7-6-13(17-10-11(8-15)9-16)12-4-2-3-5-14(12)18/h2-7,10H,1H3/b17-13+","ORVZFBOINIDDAY-GHRIWEEISA-N",{"$nulls":3},">350000"]
["D14932",3625,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM430126","Cn1ccc(COc2cnc(cc2-c2ccc(F)cc2)C(N)=O)n1","InChI=1S/C17H15FN4O2/c1-22-7-6-13(21-22)10-24-16-9-20-15(17(19)23)8-14(16)11-2-4-12(18)5-3-11/h2-9H,10H2,1H3,(H2,19,23)","SSSNPJKQBYVHBV-UHFFFAOYSA-N",null,">30000"]
["D14933",15998,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144184","Cn1ccc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)n1","InChI=1S/C21H21N5O2/c1-26-9-5-20(25-26)24-21-13-16(4-8-23-21)15-2-3-19(17(12-15)14-22)28-18-6-10-27-11-7-18/h2-5,8-9,12-13,18H,6-7,10-11H2,1H3,(H,23,24,25)","UYIHWPCEDZKSLA-UHFFFAOYSA-N",null,97,{"$nulls":4},7.5,"30.00 C"]
["D14934",16959,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50401919","Cn1ccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)n1","InChI=1S/C19H27N7O/c1-26-11-8-16(25-26)23-19-22-12-15(13-6-7-13)17(24-19)20-9-3-10-21-18(27)14-4-2-5-14/h8,11-14H,2-7,9-10H2,1H3,(H,21,27)(H2,20,22,23,24,25)","WBNQNCMIKFGMCR-UHFFFAOYSA-N",null,">1000"]
["D14935",16501,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148096","Cn1ccc(Nc2nccc(n2)-c2ccc(N3CCCC3)c(c2)C#N)n1","InChI=1S/C19H19N7/c1-25-11-7-18(24-25)23-19-21-8-6-16(22-19)14-4-5-17(15(12-14)13-20)26-9-2-3-10-26/h4-8,11-12H,2-3,9-10H2,1H3,(H,21,22,23,24)","XIUFLCIKFANRKL-UHFFFAOYSA-N",null,"<300",{"$nulls":4},7.5]
["D14936",16281,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144208","Cn1ccc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)n1","InChI=1S/C20H20N6O2/c1-26-9-5-19(25-26)24-20-22-8-4-17(23-20)14-2-3-18(15(12-14)13-21)28-16-6-10-27-11-7-16/h2-5,8-9,12,16H,6-7,10-11H2,1H3,(H,22,23,24,25)","GVEFUAPLXFCYLH-UHFFFAOYSA-N",null,130,{"$nulls":4},7.5,"30.00 C"]
["D14937",15836,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277837","Cn1ccc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)n1","InChI=1S/C19H19N7O2/c1-26-7-4-17(25-26)23-19-22-12-21-18(24-19)13-2-3-16(14(10-13)11-20)28-15-5-8-27-9-6-15/h2-4,7,10,12,15H,5-6,8-9H2,1H3,(H,21,22,23,24,25)","CIBIQJXLLSSQGJ-UHFFFAOYSA-N",null,55]
["D14938",15910,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278373","Cn1ccc(cc1=O)C(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C35H37N9O4/c1-41-11-8-25(19-32(41)45)34(46)44-12-9-30(10-13-44)48-31-7-2-24(18-26(31)20-36)33-37-23-38-35(40-33)39-27-3-5-28(6-4-27)42-14-16-43(17-15-42)29-21-47-22-29/h2-8,11,18-19,23,29-30H,9-10,12-17,21-22H2,1H3,(H,37,38,39,40)","ILAWZRKRRHWTNW-UHFFFAOYSA-N",null,69]
["D14939",18171,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278371","Cn1ccc(cc1=O)C(=O)N1CCC(COc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)CC1","InChI=1S/C36H39N9O4/c1-42-11-10-27(19-33(42)46)35(47)45-12-8-25(9-13-45)21-49-32-7-2-26(18-28(32)20-37)34-38-24-39-36(41-34)40-29-3-5-30(6-4-29)43-14-16-44(17-15-43)31-22-48-23-31/h2-7,10-11,18-19,24-25,31H,8-9,12-17,21-23H2,1H3,(H,38,39,40,41)","WVNNYRKRXZOKAS-UHFFFAOYSA-N",null,452000,{"$nulls":4},7]
["D14940",16852,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478498","Cn1ccc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C25H28N8O/c1-31-9-7-20(30-31)19-4-5-21-22(15-19)28-25(27-21)29-23-14-17(6-8-26-23)16-32-10-12-33(13-11-32)24(34)18-2-3-18/h4-9,14-15,18H,2-3,10-13,16H2,1H3,(H2,26,27,28,29)","CKMOVVFMJVGZTA-UHFFFAOYSA-N",null,988]
["D14941",17010,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478499","Cn1ccc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CCC4)ccn3)[nH]c2c1","InChI=1S/C26H30N8O/c1-32-10-8-21(31-32)20-5-6-22-23(16-20)29-26(28-22)30-24-15-18(7-9-27-24)17-33-11-13-34(14-12-33)25(35)19-3-2-4-19/h5-10,15-16,19H,2-4,11-14,17H2,1H3,(H2,27,28,29,30)","WPZZMIXCHSUSJC-UHFFFAOYSA-N",null,1390]
["D14942",16977,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478496","Cn1ccc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C24H25F3N8O/c1-33-7-5-18(32-33)17-2-3-19-20(13-17)30-23(29-19)31-21-12-16(4-6-28-21)15-34-8-10-35(11-9-34)22(36)14-24(25,26)27/h2-7,12-13H,8-11,14-15H2,1H3,(H2,28,29,30,31)","WAUHBRIWMGUKHH-UHFFFAOYSA-N",null,1130]
["D14943",17003,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478497","Cn1ccc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC4CC4)ccn3)[nH]c2c1","InChI=1S/C26H30N8O/c1-32-9-7-21(31-32)20-4-5-22-23(16-20)29-26(28-22)30-24-14-19(6-8-27-24)17-33-10-12-34(13-11-33)25(35)15-18-2-3-18/h4-9,14,16,18H,2-3,10-13,15,17H2,1H3,(H2,27,28,29,30)","BADFHHJASVHMRF-UHFFFAOYSA-N",null,1270]
["D14944",16532,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209687","Cn1ccc(n1)-c1cnc(N)c(c1)C(=O)Nc1ccncc1","InChI=1S/C15H14N6O/c1-21-7-4-13(20-21)10-8-12(14(16)18-9-10)15(22)19-11-2-5-17-6-3-11/h2-9H,1H3,(H2,16,18)(H,17,19,22)","DWBFATQGRAYQFC-UHFFFAOYSA-N",null,330,{"$nulls":4},7.5,"30.00 C"]
["D14945",16526,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209690","Cn1cccc1-c1cnc(N)c(c1)C(=O)Nc1ccncc1","InChI=1S/C16H15N5O/c1-21-8-2-3-14(21)11-9-13(15(17)19-10-11)16(22)20-12-4-6-18-7-5-12/h2-10H,1H3,(H2,17,19)(H,18,20,22)","HQNUSOQVFGXSKJ-UHFFFAOYSA-N",null,320,{"$nulls":4},7.5,"30.00 C"]
["D14946",12423,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42943","Cn1cccc1-c1nc2ccc(NC(=O)c3ccccc3)cc2[nH]1","InChI=1S/C19H16N4O/c1-23-11-5-8-17(23)18-21-15-10-9-14(12-16(15)22-18)20-19(24)13-6-3-2-4-7-13/h2-12H,1H3,(H,20,24)(H,21,22)","SXGBEMHHLDIXBT-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14947",4192,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67075","Cn1cccc1C(=O)NC(=O)COC(=O)c1ccc(cc1)S(C)(=O)=O","InChI=1S/C16H16N2O6S/c1-18-9-3-4-13(18)15(20)17-14(19)10-24-16(21)11-5-7-12(8-6-11)25(2,22)23/h3-9H,10H2,1-2H3,(H,17,19,20)","PUPNGCOZLLITKR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14948",16585,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205233","Cn1cccc1C(=O)Nc1sc(nc1C(N)=O)-c1ccncc1","InChI=1S/C15H13N5O2S/c1-20-8-2-3-10(20)13(22)19-15-11(12(16)21)18-14(23-15)9-4-6-17-7-5-9/h2-8H,1H3,(H2,16,21)(H,19,22)","MXYAFAVXPAPULS-UHFFFAOYSA-N",null,400,{"$nulls":4},7.5,"30.00 C"]
["D14949",12002,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42440","Cn1ccnc1C1CCCCN1Cc1nc(no1)-c1ccc2OCOc2c1","InChI=1S/C19H21N5O3/c1-23-9-7-20-19(23)14-4-2-3-8-24(14)11-17-21-18(22-27-17)13-5-6-15-16(10-13)26-12-25-15/h5-7,9-10,14H,2-4,8,11-12H2,1H3","ONZQNLLPZSWGMI-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14950",344,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226601","Cn1cnc(C[C@H](NCCN)C(O)=O)c1","InChI=1S/C9H16N4O2/c1-13-5-7(12-6-13)4-8(9(14)15)11-3-2-10/h5-6,8,11H,2-4,10H2,1H3,(H,14,15)/t8-/m0/s1","ZIGWTNNVVANKME-QMMMGPOBSA-N",235]
["D14951",13550,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19243959","Cn1cnc(C[C@H](NCCN)C(O)=O)c2","InChI=1S/C9H16N4O2/c1-13-5-7(12-6-13)4-8(9(14)15)11-3-2-10/h5-6,8,11H,2-4,10H2,1H3,(H,14,15)/t8-/m0/s2","ZIGWTNNVVANKME-QMMMGPOBSA-N",-15603.5870380878,-113031.452662678,33574.745107281,{"$nulls":3},6.73724004389855]
["D14952",16497,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148089","Cn1cnc(Nc2nccc(n2)-c2ccc(N3CCCC3)c(c2)C#N)c1","InChI=1S/C19H19N7/c1-25-12-18(22-13-25)24-19-21-7-6-16(23-19)14-4-5-17(15(10-14)11-20)26-8-2-3-9-26/h4-7,10,12-13H,2-3,8-9H2,1H3,(H,21,23,24)","KLNITVITXATEGG-UHFFFAOYSA-N",null,"<300",{"$nulls":4},7.5]
["D14953",524,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135937","Cn1cnc(c1)C(Cc1ccc(N)nc1)C(O)=O","InChI=1S/C12H14N4O2/c1-16-6-10(15-7-16)9(12(17)18)4-8-2-3-11(13)14-5-8/h2-3,5-7,9H,4H2,1H3,(H2,13,14)(H,17,18)","LWFBPJVVEKHBIQ-UHFFFAOYSA-N",null,50]
["D14954",4536,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66492","Cn1cnc(c1S(=O)(=O)c1cccc(Cl)c1)[N+]([O-])=O","InChI=1S/C10H8ClN3O4S/c1-13-6-12-9(14(15)16)10(13)19(17,18)8-4-2-3-7(11)5-8/h2-6H,1H3","NWJGYGRBWMPRPV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14955",25928,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM50355497","Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO","InChI=1S/C17H15BrClFN4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)","CYOHGALHFOKKQC-UHFFFAOYSA-N",null,null,">10000"]
["D14956",190,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM10849","Cn1cnc2n(C)c(=O)n(C)c(=O)c12","InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3","RYYVLZVUVIJVGH-UHFFFAOYSA-N",null,469000,{"$nulls":4},5.5,"37.00 C"]
["D14957",13518,"6zfo_A",0.4,"Spike glycoprotein","Endochitinase B1","Aspergillus fumigatiaffinis","BDM19237718","Cn1cnc2n(C)c(=O)n(C)c(=O)c13","InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H4","RYYVLZVUVIJVGH-UHFFFAOYSA-N",-7070.74718977492,-41301.950372429,33554.4414530255,{"$nulls":3},6.73722591999959]
["D14958",186,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50388143","Cn1cnc2n(C)c(=O)n(CCCCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12","InChI=1S/C19H24N8O4/c1-22-10-20-14-12(22)16(28)26(18(30)24(14)3)8-6-5-7-9-27-17(29)13-15(21-11-23(13)2)25(4)19(27)31/h10-11H,5-9H2,1-4H3","YJGXPSISVGOKLP-UHFFFAOYSA-N",null,5700]
["D14959",13514,"6zfo_A",0.4,"Spike glycoprotein","Endochitinase B1","Aspergillus fumigatiaffinis","BDM19236938","Cn1cnc2n(C)c(=O)n(CCCCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c13","InChI=1S/C19H24N8O4/c1-22-10-20-14-12(22)16(28)26(18(30)24(14)3)8-6-5-7-9-27-17(29)13-15(21-11-23(13)2)25(4)19(27)31/h10-11H,5-9H2,1-4H4","YJGXPSISVGOKLP-UHFFFAOYSA-N",-6004.14220873583,-32335.762586148,33551.9034962435,{"$nulls":3},6.73722415451222]
["D14960",29634,"7k9z_E",0.4,"Spike protein S2","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50388142","Cn1cnc2n(C)c(=O)n(CCCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12","InChI=1S/C18H22N8O4/c1-21-9-19-13-11(21)15(27)25(17(29)23(13)3)7-5-6-8-26-16(28)12-14(20-10-22(12)2)24(4)18(26)30/h9-10H,5-8H2,1-4H3","PXFLHKVXISJBOA-UHFFFAOYSA-N",null,9000,{"$nulls":4},5.5]
["D14961",13515,"6zfo_A",0.4,"Spike glycoprotein","Endochitinase B1","Aspergillus fumigatiaffinis","BDM19237133","Cn1cnc2n(C)c(=O)n(CCCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c13","InChI=1S/C18H22N8O4/c1-21-9-19-13-11(21)15(27)25(17(29)23(13)3)7-5-6-8-26-16(28)12-14(20-10-22(12)2)24(4)18(26)30/h9-10H,5-8H2,1-4H4","PXFLHKVXISJBOA-UHFFFAOYSA-N",-6270.79345399563,-34577.3095327189,33552.537985439,{"$nulls":3},6.73722459588406]
["D14962",180,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM81508","Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12","InChI=1S/C17H20N8O4/c1-20-8-18-12-10(20)14(26)24(16(28)22(12)3)6-5-7-25-15(27)11-13(19-9-21(11)2)23(4)17(25)29/h8-9H,5-7H2,1-4H3","KEPIKAFUZRKZMT-UHFFFAOYSA-N",null,200]
["D14963",13508,"6zfo_A",0.4,"Spike glycoprotein","Endochitinase B1","Aspergillus fumigatiaffinis","BDM19235768","Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c13","InChI=1S/C17H20N8O4/c1-20-8-18-12-10(20)14(26)24(16(28)22(12)3)6-5-7-25-15(27)11-13(19-9-21(11)2)23(4)17(25)29/h8-9H,5-7H2,1-4H4","KEPIKAFUZRKZMT-UHFFFAOYSA-N",-4404.23473717722,-18886.4809067269,33548.0965610706,{"$nulls":3},6.73722150628117]
["D14964",184,"6lzg_B",0.3,"Spike protein S1","Endochitinase B1","Aspergillus fumigatiaffinis","BDBM50388141","Cn1cnc2n(C)c(=O)n(CCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12","InChI=1S/C16H18N8O4/c1-19-7-17-11-9(19)13(25)23(15(27)21(11)3)5-6-24-14(26)10-12(18-8-20(10)2)22(4)16(24)28/h7-8H,5-6H2,1-4H3","DHOOHIKQTUGDOW-UHFFFAOYSA-N",null,4800]
["D14965",13512,"6zfo_A",0.4,"Spike glycoprotein","Endochitinase B1","Aspergillus fumigatiaffinis","BDM19236548","Cn1cnc2n(C)c(=O)n(CCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c13","InChI=1S/C16H18N8O4/c1-19-7-17-11-9(19)13(25)23(15(27)21(11)3)5-6-24-14(26)10-12(18-8-20(10)2)22(4)16(24)28/h7-8H,5-6H2,1-4H4","DHOOHIKQTUGDOW-UHFFFAOYSA-N",-5470.83971821632,-27852.668693008,33550.6345178526,{"$nulls":3},6.73722327176854]
["D14966",322,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575780","Cn1cncc1-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O","InChI=1S/C20H28FN4O4P/c1-24-14-23-11-18(24)17-10-16(21)5-4-15(17)12-25-8-9-30(28,29)20(13-25,19(26)27)6-2-3-7-22/h4-5,10-11,14H,2-3,6-9,12-13,22H2,1H3,(H,26,27)(H,28,29)/t20-/m0/s1","ZBWZIBATIOSFOY-FQEVSTJZSA-N",0.75]
["D14967",16259,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278045","Cn1cncc1C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C33H35FN10O3/c1-41-21-36-16-28(41)32(45)44-9-8-30(27(34)17-44)47-29-7-2-22(14-23(29)15-35)31-37-20-38-33(40-31)39-24-3-5-25(6-4-24)42-10-12-43(13-11-42)26-18-46-19-26/h2-7,14,16,20-21,26-27,30H,8-13,17-19H2,1H3,(H,37,38,39,40)/t27-,30+/m1/s1","BLDYONOGWCZONO-OFSOJUDTSA-N",null,120]
["D14968",17879,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569860","Cn1cncc1CNC(=O)c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D14969",17880,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569861","Cn1cncc1CNC(=O)c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D14970",16499,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148092","Cn1cncc1Nc1nccc(n1)-c1ccc(N2CCCC2)c(c1)C#N","InChI=1S/C19H19N7/c1-25-13-21-12-18(25)24-19-22-7-6-16(23-19)14-4-5-17(15(10-14)11-20)26-8-2-3-9-26/h4-7,10,12-13H,2-3,8-9H2,1H3,(H,22,23,24)","NYTXNSGKXJZIID-UHFFFAOYSA-N",null,"<300",{"$nulls":4},7.5]
["D14971",3831,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66759","Cn1cnnc1SCC(=O)Nc1ccc(F)cc1","InChI=1S/C11H11FN4OS/c1-16-7-13-15-11(16)18-6-10(17)14-9-4-2-8(12)3-5-9/h2-5,7H,6H2,1H3,(H,14,17)","DJQIRFAILLJEDT-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14972",31781,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43579","Cn1nc(-c2ccc(Cl)cc2)c2cc(sc12)C(=O)NCC1CCCO1","InChI=1S/C18H18ClN3O2S/c1-22-18-14(16(21-22)11-4-6-12(19)7-5-11)9-15(25-18)17(23)20-10-13-3-2-8-24-13/h4-7,9,13H,2-3,8,10H2,1H3,(H,20,23)","PYJPAEPWXQGLJF-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D14973",31790,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43587","Cn1nc(-c2ccc(Cl)cc2)c2cc(sc12)C(=O)NCCCN1CCCC1","InChI=1S/C20H23ClN4OS/c1-24-20-16(18(23-24)14-5-7-15(21)8-6-14)13-17(27-20)19(26)22-9-4-12-25-10-2-3-11-25/h5-8,13H,2-4,9-12H2,1H3,(H,22,26)","GIUZJWUZXLOLKB-UHFFFAOYSA-N",{"$nulls":3},21560]
["D14974",31789,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43586","Cn1nc(-c2ccc(Cl)cc2)c2cc(sc12)C(=O)NCCCN1CCOCC1","InChI=1S/C20H23ClN4O2S/c1-24-20-16(18(23-24)14-3-5-15(21)6-4-14)13-17(28-20)19(26)22-7-2-8-25-9-11-27-12-10-25/h3-6,13H,2,7-12H2,1H3,(H,22,26)","KRQACLKXLSKWEZ-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D14975",31794,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43591","Cn1nc(-c2ccc(Cl)cc2)c2cc(sc12)C(=O)NCCN1CCOCC1","InChI=1S/C19H21ClN4O2S/c1-23-19-15(17(22-23)13-2-4-14(20)5-3-13)12-16(27-19)18(25)21-6-7-24-8-10-26-11-9-24/h2-5,12H,6-11H2,1H3,(H,21,25)","HBHDWNFOLVSQNA-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D14976",4241,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66246","Cn1nc(-c2ccc(OCC(=O)NCC3CCCO3)cc2)c2ccccc2c1=O","InChI=1S/C22H23N3O4/c1-25-22(27)19-7-3-2-6-18(19)21(24-25)15-8-10-16(11-9-15)29-14-20(26)23-13-17-5-4-12-28-17/h2-3,6-11,17H,4-5,12-14H2,1H3,(H,23,26)","TUQNIJBSQIJLJF-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14977",18549,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Pendrin","Mus musculus","BDM50512537","Cn1nc(COc2cccc(F)c2)c2CN(CCc12)C(=O)Nc1ccc(Cl)cc1","InChI=1S/C21H20ClFN4O2/c1-26-20-9-10-27(21(28)24-16-7-5-14(22)6-8-16)12-18(20)19(25-26)13-29-17-4-2-3-15(23)11-17/h2-8,11H,9-10,12-13H2,1H3,(H,24,28)","YOWSXWDXCBUJCF-UHFFFAOYSA-N",null,7000]
["D14978",17390,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148106","Cn1nc(Nc2nccc(n2)-c2ccc(N3CCCC3)c(c2)C#N)cc1C(N)=O","InChI=1S/C20H20N8O/c1-27-17(19(22)29)11-18(26-27)25-20-23-7-6-15(24-20)13-4-5-16(14(10-13)12-21)28-8-2-3-9-28/h4-7,10-11H,2-3,8-9H2,1H3,(H2,22,29)(H,23,24,25,26)","PHOQXLUDFPTTRX-UHFFFAOYSA-N",null,"<3000",{"$nulls":4},7.5]
["D14979",16333,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144131","Cn1nc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1=O","InChI=1S/C21H20N6O3/c1-27-20(28)5-4-19(26-27)25-21-23-9-6-17(24-21)14-2-3-18(15(12-14)13-22)30-16-7-10-29-11-8-16/h2-6,9,12,16H,7-8,10-11H2,1H3,(H,23,24,25,26)","ZUDLFDOJAKMMDT-UHFFFAOYSA-N",null,160,{"$nulls":4},7.5,"30.00 C"]
["D14980",11792,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM4212","Cn1nc(c(C#N)c1N1CCN(CC1)c1ccc(F)cc1)C(F)(F)F","InChI=1S/C16H15F4N5/c1-23-15(13(10-21)14(22-23)16(18,19)20)25-8-6-24(7-9-25)12-4-2-11(17)3-5-12/h2-5H,6-9H2,1H3","YACADTMYZRABHM-UHFFFAOYSA-N",null,2128]
["D14981",12097,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM4389","Cn1nc(c(C#N)c1N1CCN(CC1)c1ccccc1)C(F)(F)F","InChI=1S/C16H16F3N5/c1-22-15(13(11-20)14(21-22)16(17,18)19)24-9-7-23(8-10-24)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3","IABAUSVVAXNMKN-UHFFFAOYSA-N",null,4135]
["D14982",11914,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43060","Cn1nc(c(C(=O)Nc2ccc(cc2)C(F)(F)F)c1Cl)-c1ccccc1","InChI=1S/C18H13ClF3N3O/c1-25-16(19)14(15(24-25)11-5-3-2-4-6-11)17(26)23-13-9-7-12(8-10-13)18(20,21)22/h2-10H,1H3,(H,23,26)","IYWUWUDVXHWZBO-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D14983",430,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575771","Cn1nc(cc1-c1ccccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O)C(F)(F)F","InChI=1S/C21H28F3N4O4P/c1-27-17(12-18(26-27)21(22,23)24)16-7-3-2-6-15(16)13-28-10-11-33(31,32)20(14-28,19(29)30)8-4-5-9-25/h2-3,6-7,12H,4-5,8-11,13-14,25H2,1H3,(H,29,30)(H,31,32)/t20-/m0/s1","IUPWHEVNFCKRAD-FQEVSTJZSA-N",null,9]
["D14984",16502,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148107","Cn1nc(cc1Nc1nccc(n1)-c1ccc(N2CCCC2)c(c1)C#N)C(N)=O","InChI=1S/C20H20N8O/c1-27-18(11-16(26-27)19(22)29)25-20-23-7-6-15(24-20)13-4-5-17(14(10-13)12-21)28-8-2-3-9-28/h4-7,10-11H,2-3,8-9H2,1H3,(H2,22,29)(H,23,24,25)","NRGGJOHFTZZREW-UHFFFAOYSA-N",null,"<300",{"$nulls":4},7.5]
["D14985",11965,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43098","Cn1ncc(c1C(=O)N\\N=C\\c1ccc(F)cc1)[N+]([O-])=O","InChI=1S/C12H10FN5O3/c1-17-11(10(7-15-17)18(20)21)12(19)16-14-6-8-2-4-9(13)5-3-8/h2-7H,1H3,(H,16,19)/b14-6+","UJPRCESKPAQDJH-MKMNVTDBSA-N",{"$nulls":3},">79370"]
["D14986",12,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401921","Cn1ncc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc12","InChI=1S/C23H29N7O/c1-30-20-9-8-18(12-17(20)13-27-30)28-23-26-14-19(15-6-7-15)21(29-23)24-10-3-11-25-22(31)16-4-2-5-16/h8-9,12-16H,2-7,10-11H2,1H3,(H,25,31)(H2,24,26,28,29)","ZWBYSALZHQDDEL-UHFFFAOYSA-N",null,380]
["D14987",14643,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278121","Cn1ncc2ccc(Nc3ncnc(n3)-c3ccc(O[C@H]4CCN(C[C@H]4F)C(=O)CO)c(c3)C#N)cc12","InChI=1S/C25H23FN8O3/c1-33-20-9-18(4-2-16(20)11-30-33)31-25-29-14-28-24(32-25)15-3-5-21(17(8-15)10-27)37-22-6-7-34(12-19(22)26)23(36)13-35/h2-5,8-9,11,14,19,22,35H,6-7,12-13H2,1H3,(H,28,29,31,32)/t19-,22+/m1/s1","CYSNREWCZKAVDY-KNQAVFIVSA-N",null,4]
["D14988",17885,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569866","Cn1nccc1-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(C)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D14989",15412,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277004","Cn1nccc1-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C23H21N5O2/c1-28-21(5-9-26-28)20-13-19-18(4-8-25-23(19)27-20)15-2-3-22(16(12-15)14-24)30-17-6-10-29-11-7-17/h2-5,8-9,12-13,17H,6-7,10-11H2,1H3,(H,25,27)","HKIHBMOYFPBKRM-UHFFFAOYSA-N",null,23.9]
["D14990",15581,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148095","Cn1nccc1Nc1nccc(n1)-c1ccc(N2CCCC2)c(c1)C#N","InChI=1S/C19H19N7/c1-25-18(7-9-22-25)24-19-21-8-6-16(23-19)14-4-5-17(15(12-14)13-20)26-10-2-3-11-26/h4-9,12H,2-3,10-11H2,1H3,(H,21,23,24)","DAZUIYGZOWVNPV-UHFFFAOYSA-N",null,"<30",{"$nulls":4},7.5]
["D14991",17391,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148118","Cn1nccc1Nc1nccc(n1)-c1ccc(N2CCC[C@@H]2C(N)=O)c(c1)C#N","InChI=1S/C20H20N8O/c1-27-18(7-9-24-27)26-20-23-8-6-15(25-20)13-4-5-16(14(11-13)12-21)28-10-2-3-17(28)19(22)29/h4-9,11,17H,2-3,10H2,1H3,(H2,22,29)(H,23,25,26)/t17-/m1/s1","FRSXSVZGQCBMBD-QGZVFWFLSA-N",null,"<3000",{"$nulls":4},7.5]
["D14992",16505,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148117","Cn1nccc1Nc1nccc(n1)-c1ccc(N2CC[C@H](O)C2)c(c1)C#N","InChI=1S/C19H19N7O/c1-25-18(5-8-22-25)24-19-21-7-4-16(23-19)13-2-3-17(14(10-13)11-20)26-9-6-15(27)12-26/h2-5,7-8,10,15,27H,6,9,12H2,1H3,(H,21,23,24)/t15-/m0/s1","ODYAIQQUGOAPGH-HNNXBMFYSA-N",null,"<300",{"$nulls":4},7.5]
["D14993",15979,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277851","Cn1nccc1Nc1ncnc(n1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C19H19N7O2/c1-26-17(4-7-23-26)24-19-22-12-21-18(25-19)13-2-3-16(14(10-13)11-20)28-15-5-8-27-9-6-15/h2-4,7,10,12,15H,5-6,8-9H2,1H3,(H,21,22,24,25)","ASDFEOAEPCPHHU-UHFFFAOYSA-N",null,90]
["D14994",16805,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478501","Cn1ncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C24H27N9O/c1-31-22(26-15-27-31)18-4-5-19-20(13-18)29-24(28-19)30-21-12-16(6-7-25-21)14-32-8-10-33(11-9-32)23(34)17-2-3-17/h4-7,12-13,15,17H,2-3,8-11,14H2,1H3,(H2,25,28,29,30)","KPTCOKVJPYRCCM-UHFFFAOYSA-N",null,770]
["D14995",16783,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478500","Cn1ncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C23H24F3N9O/c1-33-21(28-14-29-33)16-2-3-17-18(11-16)31-22(30-17)32-19-10-15(4-5-27-19)13-34-6-8-35(9-7-34)20(36)12-23(24,25)26/h2-5,10-11,14H,6-9,12-13H2,1H3,(H2,27,30,31,32)","MXNRJJCIBJQNSP-UHFFFAOYSA-N",null,681]
["D14996",31890,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM38079","Cn1nnnc1Sc1ncnc2scc(-c3ccc(F)cc3)c12","InChI=1S/C14H9FN6S2/c1-21-14(18-19-20-21)23-13-11-10(6-22-12(11)16-7-17-13)8-2-4-9(15)5-3-8/h2-7H,1H3","XSTFJQSDZUXXBR-UHFFFAOYSA-N",null,47300]
["D14997",4145,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67031","Cn1nnnc1Sc1ncnc2scc(-c3cccc4c5ccccc5sc34)c12","InChI=1S/C20H12N6S3/c1-26-20(23-24-25-26)29-19-16-14(9-27-18(16)21-10-22-19)13-7-4-6-12-11-5-2-3-8-15(11)28-17(12)13/h2-10H,1H3","DEVPNNKKGPZYFO-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D14998",4643,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66585","FC(F)(F)C(=O)\\C=C\\N1CCN(Cc2ccccc2)CC1","InChI=1S/C15H17F3N2O/c16-15(17,18)14(21)6-7-19-8-10-20(11-9-19)12-13-4-2-1-3-5-13/h1-7H,8-12H2/b7-6+","DSTRKKLZDQJGET-VOTSOKGWSA-N",{"$nulls":3},">350000"]
["D14999",17107,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277846","FC(F)(F)C(=O)c1ccc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cc1","InChI=1S/C23H18F3N5O3/c24-23(25,26)20(32)14-1-4-17(5-2-14)30-22-29-13-28-21(31-22)15-3-6-19(16(11-15)12-27)34-18-7-9-33-10-8-18/h1-6,11,13,18H,7-10H2,(H,28,29,30,31)","OOYRAPOOQHGEBB-UHFFFAOYSA-N",null,2000,{"$nulls":4},7]
["D15000",15112,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277045","FC(F)(F)C(=O)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C27H20F3N3O3/c28-27(29,30)25(34)17-3-1-16(2-4-17)23-14-22-21(7-10-32-26(22)33-23)18-5-6-24(19(13-18)15-31)36-20-8-11-35-12-9-20/h1-7,10,13-14,20H,8-9,11-12H2,(H,32,33)","LUIAXPRIBAAQLN-UHFFFAOYSA-N",null,11.4,{"$nulls":4},7]
["D15001",15161,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478823","FC(F)(F)C1(COc2cc(ncn2)-c2ccc3nc(Nc4cc(CN5CCN(CC5)C(=O)C5CC5)ccn4)[nH]c3c2)CC1","InChI=1S/C30H31F3N8O2/c31-30(32,33)29(6-7-29)17-43-26-15-23(35-18-36-26)21-3-4-22-24(14-21)38-28(37-22)39-25-13-19(5-8-34-25)16-40-9-11-41(12-10-40)27(42)20-1-2-20/h3-5,8,13-15,18,20H,1-2,6-7,9-12,16-17H2,(H2,34,37,38,39)","YCGVIFSUNRCZRG-UHFFFAOYSA-N",null,13]
["D15002",15810,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397725","FC(F)(F)C1CCN1C(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C20H18F3N7O2/c21-20(22,23)16-3-4-30(16)18(31)10-27-13-5-12(7-25-14(13)6-24)15-8-28-17(9-26-15)29-19(32)11-1-2-11/h5,7-9,11,16,27H,1-4,10H2,(H,28,29,32)","HBOGNNURCKPGBI-UHFFFAOYSA-N",null,50.1]
["D15003",16522,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397731","FC(F)(F)C1CN(CCO1)C(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C21H20F3N7O3/c22-21(23,24)17-11-31(3-4-34-17)19(32)10-28-14-5-13(7-26-15(14)6-25)16-8-29-18(9-27-16)30-20(33)12-1-2-12/h5,7-9,12,17,28H,1-4,10-11H2,(H,29,30,33)","RLMYGCYYOILBNN-UHFFFAOYSA-N",null,316]
["D15004",15646,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397695","FC(F)(F)C1OCCN1C(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C20H18F3N7O3/c21-20(22,23)19-30(3-4-33-19)17(31)10-27-13-5-12(7-25-14(13)6-24)15-8-28-16(9-26-15)29-18(32)11-1-2-11/h5,7-9,11,19,27H,1-4,10H2,(H,28,29,32)","YLXMDCHNYHPMAE-UHFFFAOYSA-N",null,31.6]
["D15005",17753,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478802","FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cc(NC4CC4)ncn3)c2)CC1","InChI=1S/C27H28F3N9O/c28-27(29,30)14-25(40)39-9-7-38(8-10-39)15-17-5-6-31-23(11-17)37-26-35-20-4-1-18(12-22(20)36-26)21-13-24(33-16-32-21)34-19-2-3-19/h1,4-6,11-13,16,19H,2-3,7-10,14-15H2,(H,32,33,34)(H2,31,35,36,37)","RBHUMCLZYYGBSR-UHFFFAOYSA-N",null,2.1]
["D15006",14425,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478804","FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cc(NC4CCC4)ncn3)c2)CC1","InChI=1S/C28H30F3N9O/c29-28(30,31)15-26(41)40-10-8-39(9-11-40)16-18-6-7-32-24(12-18)38-27-36-21-5-4-19(13-23(21)37-27)22-14-25(34-17-33-22)35-20-2-1-3-20/h4-7,12-14,17,20H,1-3,8-11,15-16H2,(H,33,34,35)(H2,32,36,37,38)","YQDOEORRQZIJIG-UHFFFAOYSA-N",null,0.48]
["D15007",14856,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478779","FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cc(NCC4CC4)ncn3)c2)CC1","InChI=1S/C28H30F3N9O/c29-28(30,31)14-26(41)40-9-7-39(8-10-40)16-19-5-6-32-25(11-19)38-27-36-21-4-3-20(12-23(21)37-27)22-13-24(35-17-34-22)33-15-18-1-2-18/h3-6,11-13,17-18H,1-2,7-10,14-16H2,(H,33,34,35)(H2,32,36,37,38)","WYKJZALGKJTIJI-UHFFFAOYSA-N",null,6.6]
["D15008",15379,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478822","FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cc(OCC4(CC4)C(F)(F)F)ncn3)c2)CC1","InChI=1S/C29H28F6N8O2/c30-28(31,32)14-25(44)43-9-7-42(8-10-43)15-18-3-6-36-23(11-18)41-26-39-20-2-1-19(12-22(20)40-26)21-13-24(38-17-37-21)45-16-27(4-5-27)29(33,34)35/h1-3,6,11-13,17H,4-5,7-10,14-16H2,(H2,36,39,40,41)","DBMUROBXVJCJOE-UHFFFAOYSA-N",null,21]
["D15009",14687,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478604","FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cc(OCC4CC4)ncn3)c2)CC1","InChI=1S/C28H29F3N8O2/c29-28(30,31)14-26(40)39-9-7-38(8-10-39)15-19-5-6-32-24(11-19)37-27-35-21-4-3-20(12-23(21)36-27)22-13-25(34-17-33-22)41-16-18-1-2-18/h3-6,11-13,17-18H,1-2,7-10,14-16H2,(H2,32,35,36,37)","SDWUMUPKYARNLZ-UHFFFAOYSA-N",null,4.5]
["D15010",15256,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478825","FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cc(OCC4CCC4)ncn3)c2)CC1","InChI=1S/C29H31F3N8O2/c30-29(31,32)15-27(41)40-10-8-39(9-11-40)16-20-6-7-33-25(12-20)38-28-36-22-5-4-21(13-24(22)37-28)23-14-26(35-18-34-23)42-17-19-2-1-3-19/h4-7,12-14,18-19H,1-3,8-11,15-17H2,(H2,33,36,37,38)","HEISPJYSLBDXLN-UHFFFAOYSA-N",null,15]
["D15011",15030,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478597","FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cc(ncn3)C#N)c2)CC1","InChI=1S/C25H22F3N9O/c26-25(27,28)12-23(38)37-7-5-36(6-8-37)14-16-3-4-30-22(9-16)35-24-33-19-2-1-17(10-21(19)34-24)20-11-18(13-29)31-15-32-20/h1-4,9-11,15H,5-8,12,14H2,(H2,30,33,34,35)","SQDAUYKQMBBPFF-UHFFFAOYSA-N",null,9.2]
["D15012",14536,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478595","FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cc(ncn3)C3CC3)c2)CC1","InChI=1S/C27H27F3N8O/c28-27(29,30)14-25(39)38-9-7-37(8-10-38)15-17-5-6-31-24(11-17)36-26-34-20-4-3-19(12-23(20)35-26)22-13-21(18-1-2-18)32-16-33-22/h3-6,11-13,16,18H,1-2,7-10,14-15H2,(H2,31,34,35,36)","DJBKMPVKUJVXSK-UHFFFAOYSA-N",null,3.2]
["D15013",15747,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478929","FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cc(ncn3)C3CCOCC3)c2)CC1","InChI=1S/C29H31F3N8O2/c30-29(31,32)16-27(41)40-9-7-39(8-10-40)17-19-3-6-33-26(13-19)38-28-36-22-2-1-21(14-25(22)37-28)24-15-23(34-18-35-24)20-4-11-42-12-5-20/h1-3,6,13-15,18,20H,4-5,7-12,16-17H2,(H2,33,36,37,38)","LFLRQFJFXOKFPU-UHFFFAOYSA-N",null,41.9]
["D15014",16096,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478792","FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cc(ncn3)N3CCC3)c2)CC1","InChI=1S/C27H28F3N9O/c28-27(29,30)15-25(40)39-10-8-37(9-11-39)16-18-4-5-31-23(12-18)36-26-34-20-3-2-19(13-22(20)35-26)21-14-24(33-17-32-21)38-6-1-7-38/h2-5,12-14,17H,1,6-11,15-16H2,(H2,31,34,35,36)","RXAZFOHXNFVVKB-UHFFFAOYSA-N",null,1.8]
["D15015",18271,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478637","FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cc(ncn3)N3CCCC3)c2)CC1","InChI=1S/C28H30F3N9O/c29-28(30,31)16-26(41)40-11-9-38(10-12-40)17-19-5-6-32-24(13-19)37-27-35-21-4-3-20(14-23(21)36-27)22-15-25(34-18-33-22)39-7-1-2-8-39/h3-6,13-15,18H,1-2,7-12,16-17H2,(H2,32,35,36,37)","YRUQBJHWRSNZTK-UHFFFAOYSA-N",null,2.3]
["D15016",18307,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478788","FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cc(ncn3)N3CCCCC3)c2)CC1","InChI=1S/C29H32F3N9O/c30-29(31,32)17-27(42)41-12-10-39(11-13-41)18-20-6-7-33-25(14-20)38-28-36-22-5-4-21(15-24(22)37-28)23-16-26(35-19-34-23)40-8-2-1-3-9-40/h4-7,14-16,19H,1-3,8-13,17-18H2,(H2,33,36,37,38)","ZCLLOYZIUYRQRU-UHFFFAOYSA-N",null,2.9]
["D15017",14895,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478638","FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cc(ncn3)N3CCOCC3)c2)CC1","InChI=1S/C28H30F3N9O2/c29-28(30,31)16-26(41)40-7-5-38(6-8-40)17-19-3-4-32-24(13-19)37-27-35-21-2-1-20(14-23(21)36-27)22-15-25(34-18-33-22)39-9-11-42-12-10-39/h1-4,13-15,18H,5-12,16-17H2,(H2,32,35,36,37)","XUUITDRBMIDFQK-UHFFFAOYSA-N",null,7.2]
["D15018",15992,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478507","FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ccn(CC4CC4)c(=O)c3)c2)CC1","InChI=1S/C29H30F3N7O2/c30-29(31,32)16-27(41)38-11-9-37(10-12-38)17-20-5-7-33-25(13-20)36-28-34-23-4-3-21(14-24(23)35-28)22-6-8-39(26(40)15-22)18-19-1-2-19/h3-8,13-15,19H,1-2,9-12,16-18H2,(H2,33,34,35,36)","FGKFGACUNCSZJA-UHFFFAOYSA-N",null,94]
["D15019",16156,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478740","FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ccn[nH]3)c2)CC1","InChI=1S/C23H23F3N8O/c24-23(25,26)13-21(35)34-9-7-33(8-10-34)14-15-3-5-27-20(11-15)31-22-29-18-2-1-16(12-19(18)30-22)17-4-6-28-32-17/h1-6,11-12H,7-10,13-14H2,(H,28,32)(H2,27,29,30,31)","LCBUPFCTXUGZCC-UHFFFAOYSA-N",null,100]
["D15020",14556,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478559","FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ccnc(OCC4CC4)n3)c2)CC1","InChI=1S/C28H29F3N8O2/c29-28(30,31)15-25(40)39-11-9-38(10-12-39)16-19-5-7-32-24(13-19)37-26-34-22-4-3-20(14-23(22)35-26)21-6-8-33-27(36-21)41-17-18-1-2-18/h3-8,13-14,18H,1-2,9-12,15-17H2,(H2,32,34,35,37)","LHWAAKQXCXGVBT-UHFFFAOYSA-N",null,3.38]
["D15021",15095,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478755","FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ccnc(c3)N3CCOCC3)c2)CC1","InChI=1S/C29H31F3N8O2/c30-29(31,32)18-27(41)40-9-7-38(8-10-40)19-20-3-5-33-25(15-20)37-28-35-23-2-1-21(16-24(23)36-28)22-4-6-34-26(17-22)39-11-13-42-14-12-39/h1-6,15-17H,7-14,18-19H2,(H2,33,35,36,37)","CAIZZVPJXJGAIN-UHFFFAOYSA-N",null,11]
["D15022",16375,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478417","FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ccnc(n3)C(F)(F)F)c2)CC1","InChI=1S/C25H22F6N8O/c26-24(27,28)13-21(40)39-9-7-38(8-10-39)14-15-3-5-32-20(11-15)37-23-35-18-2-1-16(12-19(18)36-23)17-4-6-33-22(34-17)25(29,30)31/h1-6,11-12H,7-10,13-14H2,(H2,32,35,36,37)","CLZGMKACPUXTIH-UHFFFAOYSA-N",null,197]
["D15023",15931,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478889","FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ccnc(n3)N3CCCC3)c2)CC1","InChI=1S/C28H30F3N9O/c29-28(30,31)17-25(41)39-13-11-38(12-14-39)18-19-5-7-32-24(15-19)37-26-34-22-4-3-20(16-23(22)35-26)21-6-8-33-27(36-21)40-9-1-2-10-40/h3-8,15-16H,1-2,9-14,17-18H2,(H2,32,34,35,37)","AWTAUDGQMMUWAX-UHFFFAOYSA-N",null,74.5]
["D15024",16291,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478753","FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ccncc3C#N)c2)CC1","InChI=1S/C26H23F3N8O/c27-26(28,29)13-24(38)37-9-7-36(8-10-37)16-17-3-6-32-23(11-17)35-25-33-21-2-1-18(12-22(21)34-25)20-4-5-31-15-19(20)14-30/h1-6,11-12,15H,7-10,13,16H2,(H2,32,33,34,35)","ASXLRPNPGRIYHG-UHFFFAOYSA-N",null,140]
["D15025",17028,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478686","FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ccncc3C(F)(F)F)c2)CC1","InChI=1S/C26H23F6N7O/c27-25(28,29)13-23(40)39-9-7-38(8-10-39)15-16-3-6-34-22(11-16)37-24-35-20-2-1-17(12-21(20)36-24)18-4-5-33-14-19(18)26(30,31)32/h1-6,11-12,14H,7-10,13,15H2,(H2,34,35,36,37)","FXMINOMJJQNJGO-UHFFFAOYSA-N",null,1500]
["D15026",16549,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478885","FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ccsc3Cl)c2)CC1","InChI=1S/C24H22ClF3N6OS/c25-22-17(4-10-36-22)16-1-2-18-19(12-16)31-23(30-18)32-20-11-15(3-5-29-20)14-33-6-8-34(9-7-33)21(35)13-24(26,27)28/h1-5,10-12H,6-9,13-14H2,(H2,29,30,31,32)","BUDWRXWISRWHLJ-UHFFFAOYSA-N",null,353]
["D15027",16722,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478773","FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cnc(Cl)cn3)c2)CC1","InChI=1S/C24H22ClF3N8O/c25-20-13-30-19(12-31-20)16-1-2-17-18(10-16)33-23(32-17)34-21-9-15(3-4-29-21)14-35-5-7-36(8-6-35)22(37)11-24(26,27)28/h1-4,9-10,12-13H,5-8,11,14H2,(H2,29,32,33,34)","BDFCSQLOECBFNW-UHFFFAOYSA-N",null,540]
["D15028",16263,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478513","FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cnc(Cl)nc3)c2)CC1","InChI=1S/C24H22ClF3N8O/c25-22-30-12-17(13-31-22)16-1-2-18-19(10-16)33-23(32-18)34-20-9-15(3-4-29-20)14-35-5-7-36(8-6-35)21(37)11-24(26,27)28/h1-4,9-10,12-13H,5-8,11,14H2,(H2,29,32,33,34)","ATUSZFARRWYMSH-UHFFFAOYSA-N",null,124]
["D15029",16527,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478510","FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cncnc3)c2)CC1","InChI=1S/C24H23F3N8O/c25-24(26,27)11-22(36)35-7-5-34(6-8-35)14-16-3-4-30-21(9-16)33-23-31-19-2-1-17(10-20(19)32-23)18-12-28-15-29-13-18/h1-4,9-10,12-13,15H,5-8,11,14H2,(H2,30,31,32,33)","VDRIOYOMTZTMQZ-UHFFFAOYSA-N",null,323]
["D15030",15057,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478547","FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cnn(CC(F)(F)F)c3)c2)CC1","InChI=1S/C25H24F6N8O/c26-24(27,28)11-22(40)38-7-5-37(6-8-38)13-16-3-4-32-21(9-16)36-23-34-19-2-1-17(10-20(19)35-23)18-12-33-39(14-18)15-25(29,30)31/h1-4,9-10,12,14H,5-8,11,13,15H2,(H2,32,34,35,36)","MPLFBUZRYVAUEG-UHFFFAOYSA-N",null,9.81]
["D15031",14708,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50520161","FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cnn(CC4CC4)c3)c2)CC1","InChI=1S/C27H29F3N8O/c28-27(29,30)13-25(39)37-9-7-36(8-10-37)15-19-5-6-31-24(11-19)35-26-33-22-4-3-20(12-23(22)34-26)21-14-32-38(17-21)16-18-1-2-18/h3-6,11-12,14,17-18H,1-2,7-10,13,15-16H2,(H2,31,33,34,35)","SSMPZXRXMBEUFU-UHFFFAOYSA-N",null,5]
["D15032",15855,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50520154","FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3nc(no3)C3CC3)c2)CC1","InChI=1S/C25H25F3N8O2/c26-25(27,28)13-21(37)36-9-7-35(8-10-36)14-15-5-6-29-20(11-15)32-24-30-18-4-3-17(12-19(18)31-24)23-33-22(34-38-23)16-1-2-16/h3-6,11-12,16H,1-2,7-10,13-14H2,(H2,29,30,31,32)","NLHGPDUHURNAHF-UHFFFAOYSA-N",null,58]
["D15033",16737,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478896","FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ncccn3)c2)CC1","InChI=1S/C24H23F3N8O/c25-24(26,27)14-21(36)35-10-8-34(9-11-35)15-16-4-7-28-20(12-16)33-23-31-18-3-2-17(13-19(18)32-23)22-29-5-1-6-30-22/h1-7,12-13H,8-11,14-15H2,(H2,28,31,32,33)","BEKQCKOGIWUINW-UHFFFAOYSA-N",null,556]
["D15034",16233,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478902","FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ncnc4COCc34)c2)CC1","InChI=1S/C26H25F3N8O2/c27-26(28,29)11-23(38)37-7-5-36(6-8-37)12-16-3-4-30-22(9-16)35-25-33-19-2-1-17(10-20(19)34-25)24-18-13-39-14-21(18)31-15-32-24/h1-4,9-10,15H,5-8,11-14H2,(H2,30,33,34,35)","FXZVRTRHGZYHIK-UHFFFAOYSA-N",null,110]
["D15035",14667,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478867","FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ncnc4ccoc34)c2)CC1","InChI=1S/C26H23F3N8O2/c27-26(28,29)13-22(38)37-8-6-36(7-9-37)14-16-3-5-30-21(11-16)35-25-33-18-2-1-17(12-20(18)34-25)23-24-19(4-10-39-24)31-15-32-23/h1-5,10-12,15H,6-9,13-14H2,(H2,30,33,34,35)","AITSPDGWOYDBNY-UHFFFAOYSA-N",null,4.18]
["D15036",16464,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478685","FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ncnc4sccc34)c2)CC1","InChI=1S/C26H23F3N8OS/c27-26(28,29)13-22(38)37-8-6-36(7-9-37)14-16-3-5-30-21(11-16)35-25-33-19-2-1-17(12-20(19)34-25)23-18-4-10-39-24(18)32-15-31-23/h1-5,10-12,15H,6-9,13-14H2,(H2,30,33,34,35)","HCDVXNLIIHDWBO-UHFFFAOYSA-N",null,270]
["D15037",14587,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478742","FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3nnc(CC4CCC4)o3)c2)CC1","InChI=1S/C27H29F3N8O2/c28-27(29,30)15-24(39)38-10-8-37(9-11-38)16-18-6-7-31-22(12-18)34-26-32-20-5-4-19(14-21(20)33-26)25-36-35-23(40-25)13-17-2-1-3-17/h4-7,12,14,17H,1-3,8-11,13,15-16H2,(H2,31,32,33,34)","KDHMIJPZSSQUPP-UHFFFAOYSA-N",null,3.9]
["D15038",15472,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50520145","FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)C#N)c2)CC1","InChI=1S/C21H20F3N7O/c22-21(23,24)11-19(32)31-7-5-30(6-8-31)13-15-3-4-26-18(10-15)29-20-27-16-2-1-14(12-25)9-17(16)28-20/h1-4,9-10H,5-8,11,13H2,(H2,26,27,28,29)","BNVGYGOBIHDVET-UHFFFAOYSA-N",null,29]
["D15039",15985,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50520169","FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)C(=O)NCC3CC3)c2)CC1","InChI=1S/C25H28F3N7O2/c26-25(27,28)13-22(36)35-9-7-34(8-10-35)15-17-5-6-29-21(11-17)33-24-31-19-4-3-18(12-20(19)32-24)23(37)30-14-16-1-2-16/h3-6,11-12,16H,1-2,7-10,13-15H2,(H,30,37)(H2,29,31,32,33)","BYGZCGOGQACGKA-UHFFFAOYSA-N",null,93]
["D15040",14794,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278274","FC(F)(F)CC(=O)Nc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C26H25F3N8O2/c27-26(28,29)12-23(38)34-22-6-1-17(11-18(22)13-30)24-31-16-32-25(35-24)33-19-2-4-20(5-3-19)36-7-9-37(10-8-36)21-14-39-15-21/h1-6,11,16,21H,7-10,12,14-15H2,(H,34,38)(H,31,32,33,35)","HRMPJJSTJWUUBG-UHFFFAOYSA-N",null,6]
["D15041",15141,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277067","FC(F)(F)CN1CCC(CC1)c1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C=O)c(c1)C#N","InChI=1S/C31H30F3N7O2/c32-31(33,34)17-40-11-7-21(8-12-40)20-1-3-22(4-2-20)29-38-28-27(36-18-37-30(28)39-29)23-5-6-26(24(15-23)16-35)43-25-9-13-41(19-42)14-10-25/h1-6,15,18-19,21,25H,7-14,17H2,(H,36,37,38,39)","WISWDBLLYNYCRE-UHFFFAOYSA-N",null,12.2]
["D15042",15712,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277069","FC(F)(F)CN1CCC(CC1)c1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCNCC2)c(c1)C#N","InChI=1S/C30H30F3N7O/c31-30(32,33)17-40-13-9-20(10-14-40)19-1-3-21(4-2-19)28-38-27-26(36-18-37-29(27)39-28)22-5-6-25(23(15-22)16-34)41-24-7-11-35-12-8-24/h1-6,15,18,20,24,35H,7-14,17H2,(H,36,37,38,39)","VJMPKACKJOXZGT-UHFFFAOYSA-N",null,37.1]
["D15043",15073,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50536675","FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1","InChI=1S/C26H26F3N5O2S/c27-26(28,29)17-31-25(35)23-12-19(16-37-23)22-14-32-34-15-20(13-30-24(22)34)18-4-6-21(7-5-18)36-11-10-33-8-2-1-3-9-33/h4-7,12-16H,1-3,8-11,17H2,(H,31,35)","QNABDSWBQJKBHK-UHFFFAOYSA-N",null,"<10.0"]
["D15044",17648,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50235817","FC(F)(F)CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2ccoc12","InChI=1S/C18H17ClF3N5O2/c19-12-9-11(1-2-14(12)27-4-7-28-8-5-27)24-17-25-13-3-6-29-15(13)16(26-17)23-10-18(20,21)22/h1-3,6,9H,4-5,7-8,10H2,(H2,23,24,25,26)","WHFIWINTCCNYQZ-UHFFFAOYSA-N",null,">10000"]
["D15045",17649,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50235820","FC(F)(F)CNc1nc(Nc2ccc3cn[nH]c3c2)nc2ccoc12","InChI=1S/C15H11F3N6O/c16-15(17,18)7-19-13-12-10(3-4-25-12)22-14(23-13)21-9-2-1-8-6-20-24-11(8)5-9/h1-6H,7H2,(H,20,24)(H2,19,21,22,23)","FMTZJHHPYOHWNQ-UHFFFAOYSA-N",null,">10000"]
["D15046",15822,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478299","FC(F)(F)COc1cnccc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C27H25F6N7O2/c28-26(29,30)13-24(41)40-9-7-39(8-10-40)15-17-3-6-35-23(11-17)38-25-36-20-2-1-18(12-21(20)37-25)19-4-5-34-14-22(19)42-16-27(31,32)33/h1-6,11-12,14H,7-10,13,15-16H2,(H2,35,36,37,38)","YOPUSMRVPRBYJQ-UHFFFAOYSA-N",null,52.2]
["D15047",14851,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478548","FC(F)(F)Cn1cc(cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C26H27F3N8O/c27-26(28,29)16-37-15-20(13-31-37)19-3-4-21-22(12-19)33-25(32-21)34-23-11-17(5-6-30-23)14-35-7-9-36(10-8-35)24(38)18-1-2-18/h3-6,11-13,15,18H,1-2,7-10,14,16H2,(H2,30,32,33,34)","WTVSICVNPAMCAI-UHFFFAOYSA-N",null,6.44]
["D15048",15154,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478546","FC(F)(F)Cn1cc(cn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CCC4)ccn3)[nH]c2c1","InChI=1S/C27H29F3N8O/c28-27(29,30)17-38-16-21(14-32-38)20-4-5-22-23(13-20)34-26(33-22)35-24-12-18(6-7-31-24)15-36-8-10-37(11-9-36)25(39)19-2-1-3-19/h4-7,12-14,16,19H,1-3,8-11,15,17H2,(H2,31,33,34,35)","XYTWMHXMPMLVPH-UHFFFAOYSA-N",null,12.8]
["D15049",28457,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50275907","FC(F)(F)Oc1ccc(CNc2cc(Cl)nc3ccnn23)cc1","InChI=1S/C14H10ClF3N4O/c15-11-7-13(22-12(21-11)5-6-20-22)19-8-9-1-3-10(4-2-9)23-14(16,17)18/h1-7,19H,8H2","WXSASVGDPLNPKM-UHFFFAOYSA-N",null,15400]
["D15050",4935,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50523876","FC(F)(F)Oc1ccc(c(c1)-c1nnc(o1)-c1ccc2OC(F)(F)Oc2c1)-n1cncn1","InChI=1S/C18H8F5N5O4/c19-17(20,21)30-10-2-3-12(28-8-24-7-25-28)11(6-10)16-27-26-15(29-16)9-1-4-13-14(5-9)32-18(22,23)31-13/h1-8H","PCBGSFFECNVIKO-UHFFFAOYSA-N",null,">30000"]
["D15051",4934,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50523875","FC(F)(F)Oc1ccc(c(c1)-c1nnc(o1)-c1ccc2OCCOc2c1)-n1cncn1","InChI=1S/C19H12F3N5O4/c20-19(21,22)31-12-2-3-14(27-10-23-9-24-27)13(8-12)18-26-25-17(30-18)11-1-4-15-16(7-11)29-6-5-28-15/h1-4,7-10H,5-6H2","JULCEJMERFVYQF-UHFFFAOYSA-N",null,">30000"]
["D15052",4936,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50523877","FC(F)(F)Oc1ccc(c(c1)-c1nnc(o1)-c1ccc2OCOc2c1)-n1cncn1","InChI=1S/C18H10F3N5O4/c19-18(20,21)30-11-2-3-13(26-8-22-7-23-26)12(6-11)17-25-24-16(29-17)10-1-4-14-15(5-10)28-9-27-14/h1-8H,9H2","GQNNESSKEYKNOD-UHFFFAOYSA-N",null,">30000"]
["D15053",4154,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67039","FC(F)(F)Oc1ccc(cc1)-c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)NC1CCCCC1","InChI=1S/C27H22F3NO5S/c28-27(29,30)36-19-12-9-16(10-13-19)17-11-14-20-23(15-17)37(34,35)22-8-4-7-21(24(22)25(20)32)26(33)31-18-5-2-1-3-6-18/h4,7-15,18H,1-3,5-6H2,(H,31,33)","KCLJPQZSKLADRO-UHFFFAOYSA-N",{"$nulls":3},27530]
["D15054",4160,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67044","FC(F)(F)Oc1ccc(cc1)-c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)NCc1ccccc1Br","InChI=1S/C28H17BrF3NO5S/c29-22-6-2-1-4-18(22)15-33-27(35)21-5-3-7-23-25(21)26(34)20-13-10-17(14-24(20)39(23,36)37)16-8-11-19(12-9-16)38-28(30,31)32/h1-14H,15H2,(H,33,35)","CDRCVKBHIRWKOR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15055",4155,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67040","FC(F)(F)Oc1ccc(cc1)-c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)NCc1ccccc1Cl","InChI=1S/C28H17ClF3NO5S/c29-22-6-2-1-4-18(22)15-33-27(35)21-5-3-7-23-25(21)26(34)20-13-10-17(14-24(20)39(23,36)37)16-8-11-19(12-9-16)38-28(30,31)32/h1-14H,15H2,(H,33,35)","DJDOURNTDXYZQW-UHFFFAOYSA-N",{"$nulls":3},83320]
["D15056",28454,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50275852","FC(F)(F)Oc1cccc(CNc2cc(Cl)nc3ccnn23)c1","InChI=1S/C14H10ClF3N4O/c15-11-7-13(22-12(21-11)4-5-20-22)19-8-9-2-1-3-10(6-9)23-14(16,17)18/h1-7,19H,8H2","RWTSXHLGBPUMJH-UHFFFAOYSA-N",null,11000]
["D15057",28452,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50275797","FC(F)(F)Oc1ccccc1CNc1cc(Cl)nc2ccnn12","InChI=1S/C14H10ClF3N4O/c15-11-7-13(22-12(21-11)5-6-20-22)19-8-9-3-1-2-4-10(9)23-14(16,17)18/h1-7,19H,8H2","ZQPVSDKTTNKMQX-UHFFFAOYSA-N",null,10000]
["D15058",14841,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397679","FC(F)(F)[C@H]1CCCN1C(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C21H20F3N7O2/c22-21(23,24)17-2-1-5-31(17)19(32)11-28-14-6-13(8-26-15(14)7-25)16-9-29-18(10-27-16)30-20(33)12-3-4-12/h6,8-10,12,17,28H,1-5,11H2,(H,29,30,33)/t17-/m1/s1","IIISEEHQNINJKP-QGZVFWFLSA-N",null,6.31]
["D15059",16335,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478371","FC(F)(F)c1cc(CN2CCN(CC2)C(=O)C2CC2)cc(Nc2nc3ccc(cc3[nH]2)-c2ccncn2)n1","InChI=1S/C26H25F3N8O/c27-26(28,29)22-11-16(14-36-7-9-37(10-8-36)24(38)17-1-2-17)12-23(34-22)35-25-32-20-4-3-18(13-21(20)33-25)19-5-6-30-15-31-19/h3-6,11-13,15,17H,1-2,7-10,14H2,(H2,32,33,34,35)","CSCRORSUUKIFJZ-UHFFFAOYSA-N",null,161]
["D15060",32002,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67109","FC(F)(F)c1cc(NC(=O)C(N2CCN(CC2)S(=O)(=O)c2ccccc2)c2ccccc2)ccc1Cl","InChI=1S/C25H23ClF3N3O3S/c26-22-12-11-19(17-21(22)25(27,28)29)30-24(33)23(18-7-3-1-4-8-18)31-13-15-32(16-14-31)36(34,35)20-9-5-2-6-10-20/h1-12,17,23H,13-16H2,(H,30,33)","PXFSNHKBZMNYHH-UHFFFAOYSA-N",null,">55690"]
["D15061",4734,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66658","FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)NNC(=O)c1ccc(Cl)cc1","InChI=1S/C16H9ClF6N2O2/c17-12-3-1-8(2-4-12)13(26)24-25-14(27)9-5-10(15(18,19)20)7-11(6-9)16(21,22)23/h1-7H,(H,24,26)(H,25,27)","XUKGZFZNXGUTCP-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15062",4125,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67011","FC(F)(F)c1cc(ccc1Cl)-c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)N1CCN(CC1)c1ncccc1C#N","InChI=1S/C31H20ClF3N4O4S/c32-24-9-7-18(15-23(24)31(33,34)35)19-6-8-21-26(16-19)44(42,43)25-5-1-4-22(27(25)28(21)40)30(41)39-13-11-38(12-14-39)29-20(17-36)3-2-10-37-29/h1-10,15-16H,11-14H2","OSBZGDFAJKVCLW-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15063",4404,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66325","FC(F)(F)c1cc(nc(SCC(=O)Nc2sc3CCCc3c2C#N)c1C#N)-c1ccccc1","InChI=1S/C23H15F3N4OS2/c24-23(25,26)17-9-18(13-5-2-1-3-6-13)29-21(16(17)11-28)32-12-20(31)30-22-15(10-27)14-7-4-8-19(14)33-22/h1-3,5-6,9H,4,7-8,12H2,(H,30,31)","RLPGOHKHSWOWAK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15064",4569,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66520","FC(F)(F)c1ccc(C=NNC(=O)CCNc2n[nH]c(=O)[nH]c2=O)cc1","InChI=1S/C14H13F3N6O3/c15-14(16,17)9-3-1-8(2-4-9)7-19-21-10(24)5-6-18-11-12(25)20-13(26)23-22-11/h1-4,7H,5-6H2,(H,18,22)(H,21,24)(H2,20,23,25,26)/b19-7+","UILKIXZJDRIQCS-FBCYGCLPSA-N",{"$nulls":3},">350000"]
["D15065",28476,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50275906","FC(F)(F)c1ccc(CNc2cc(Cl)nc3ccnn23)cc1","InChI=1S/C14H10ClF3N4/c15-11-7-13(22-12(21-11)5-6-20-22)19-8-9-1-3-10(4-2-9)14(16,17)18/h1-7,19H,8H2","KEPUNIVZVSRZSU-UHFFFAOYSA-N",null,">30000"]
["D15066",3883,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66805","FC(F)(F)c1ccc(Cl)c(NC2=NCCCCC2)c1","InChI=1S/C13H14ClF3N2/c14-10-6-5-9(13(15,16)17)8-11(10)19-12-4-2-1-3-7-18-12/h5-6,8H,1-4,7H2,(H,18,19)","FHHVHVUJCAYRQT-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15067",12169,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM63612","FC(F)(F)c1ccc(NC=C2SC3CCC(=O)N3C2=O)cc1","InChI=1S/C14H11F3N2O2S/c15-14(16,17)8-1-3-9(4-2-8)18-7-10-13(21)19-11(20)5-6-12(19)22-10/h1-4,7,12,18H,5-6H2","VRONHBPHCJBRMR-UHFFFAOYSA-N",null,7249]
["D15068",16514,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144190","FC(F)(F)c1ccc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)nc1","InChI=1S/C23H19F3N4O2/c24-23(25,26)18-2-4-21(29-14-18)30-22-12-16(5-8-28-22)15-1-3-20(17(11-15)13-27)32-19-6-9-31-10-7-19/h1-5,8,11-12,14,19H,6-7,9-10H2,(H,28,29,30)","IMXLNRXFUOHHDN-UHFFFAOYSA-N",null,310,{"$nulls":4},7.5,"30.00 C"]
["D15069",12244,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM80062","FC(F)(F)c1ccc(\\C=C(\\c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)cc1","InChI=1S/C22H15F3N2O2S/c23-22(24,25)16-12-10-15(11-13-16)14-20(30(28,29)17-6-2-1-3-7-17)21-26-18-8-4-5-9-19(18)27-21/h1-14H,(H,26,27)/b20-14-","GFNKOHYICHFZDD-ZHZULCJRSA-N",null,">11959"]
["D15070",32128,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46418","FC(F)(F)c1ccc(cc1)C(=O)Nc1ccc(nc1)N1CCOCC1","InChI=1S/C17H16F3N3O2/c18-17(19,20)13-3-1-12(2-4-13)16(24)22-14-5-6-15(21-11-14)23-7-9-25-10-8-23/h1-6,11H,7-10H2,(H,22,24)","NCHNSVPJGRZHAO-UHFFFAOYSA-N",null,">55700"]
["D15071",25950,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481472","FC(F)(F)c1ccc(cc1)C(N1CCN(CC1)C(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1","InChI=1S/C33H31F3N2O/c34-33(35,36)29-18-16-28(17-19-29)32(27-14-8-3-9-15-27)38-22-20-37(21-23-38)31(39)24-30(25-10-4-1-5-11-25)26-12-6-2-7-13-26/h1-19,30,32H,20-24H2","JCEFNPWMPAOQID-UHFFFAOYSA-N",null,70]
["D15072",32296,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446020","FC(F)(F)c1ccc(cc1)N1CCN(CC1)C(=O)N1CCOCC1","InChI=1S/C16H20F3N3O2/c17-16(18,19)13-1-3-14(4-2-13)20-5-7-21(8-6-20)15(23)22-9-11-24-12-10-22/h1-4H,5-12H2","PYFBQIWKFQUSNB-UHFFFAOYSA-N",null,">30000"]
["D15073",28455,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50275851","FC(F)(F)c1cccc(CNc2cc(Cl)nc3ccnn23)c1","InChI=1S/C14H10ClF3N4/c15-11-7-13(22-12(21-11)4-5-20-22)19-8-9-2-1-3-10(6-9)14(16,17)18/h1-7,19H,8H2","GVPIKCCMYRZTNL-UHFFFAOYSA-N",null,14600]
["D15074",4595,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66545","FC(F)(F)c1cccc(Cc2noc(CN3CCCC(C3)OCc3ccccn3)n2)c1","InChI=1S/C22H23F3N4O2/c23-22(24,25)17-6-3-5-16(11-17)12-20-27-21(31-28-20)14-29-10-4-8-19(13-29)30-15-18-7-1-2-9-26-18/h1-3,5-7,9,11,19H,4,8,10,12-15H2","GXRNHCPKVSWXAW-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15075",4199,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67082","FC(F)(F)c1cccc(NC(=O)CNc2cccc(c2)S(=O)(=O)N2CCCC2)c1","InChI=1S/C19H20F3N3O3S/c20-19(21,22)14-5-3-7-16(11-14)24-18(26)13-23-15-6-4-8-17(12-15)29(27,28)25-9-1-2-10-25/h3-8,11-12,23H,1-2,9-10,13H2,(H,24,26)","RNYHOBHVJHIJMF-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15076",12421,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42941","FC(F)(F)c1cccc(NS(=O)(=O)c2cnc[nH]2)c1","InChI=1S/C10H8F3N3O2S/c11-10(12,13)7-2-1-3-8(4-7)16-19(17,18)9-5-14-6-15-9/h1-6,16H,(H,14,15)","JZLCAQFOEYBCAY-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D15077",11911,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43057","FC(F)(F)c1cccc(c1)C(=O)N1CCN(CC1)c1cc(=O)[nH]nc1-c1ccccc1","InChI=1S/C22H19F3N4O2/c23-22(24,25)17-8-4-7-16(13-17)21(31)29-11-9-28(10-12-29)18-14-19(30)26-27-20(18)15-5-2-1-3-6-15/h1-8,13-14H,9-12H2,(H,26,30)","ACGZRWICICOUPO-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D15078",12424,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42944","FC(F)(F)c1cccc(c1)C(=O)Nc1cnccn1","InChI=1S/C12H8F3N3O/c13-12(14,15)9-3-1-2-8(6-9)11(19)18-10-7-16-4-5-17-10/h1-7H,(H,17,18,19)","CBGLRDVMEYIPGP-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D15079",3768,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM65076","FC(F)(F)c1cccc(c1)C(=O)OCn1ncc(Cl)c(Cl)c1=O","InChI=1S/C13H7Cl2F3N2O3/c14-9-5-19-20(11(21)10(9)15)6-23-12(22)7-2-1-3-8(4-7)13(16,17)18/h1-5H,6H2","VIJKPGLSWADBGL-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15080",25956,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481486","FC(F)(F)c1cccc(c1)C(N1CCN(CC1)C(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1","InChI=1S/C33H31F3N2O/c34-33(35,36)29-18-10-17-28(23-29)32(27-15-8-3-9-16-27)38-21-19-37(20-22-38)31(39)24-30(25-11-4-1-5-12-25)26-13-6-2-7-14-26/h1-18,23,30,32H,19-22,24H2","JDFLEUYRGZPZQD-UHFFFAOYSA-N",null,110]
["D15081",25975,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481471","FC(F)(F)c1ccccc1C(N1CCN(CC1)C(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1","InChI=1S/C33H31F3N2O/c34-33(35,36)30-19-11-10-18-28(30)32(27-16-8-3-9-17-27)38-22-20-37(21-23-38)31(39)24-29(25-12-4-1-5-13-25)26-14-6-2-7-15-26/h1-19,29,32H,20-24H2","MLTWOMDQQFOCMD-UHFFFAOYSA-N",null,300]
["D15082",28460,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50275795","FC(F)(F)c1ccccc1CNc1cc(Cl)nc2ccnn12","InChI=1S/C14H10ClF3N4/c15-11-7-13(22-12(21-11)5-6-20-22)19-8-9-3-1-2-4-10(9)14(16,17)18/h1-7,19H,8H2","GATBTOSDHLYPBQ-UHFFFAOYSA-N",null,">30000"]
["D15083",32303,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446034","FC(F)(F)c1ccccc1N1CCN(CC1)C(=O)N1CCOCC1","InChI=1S/C16H20F3N3O2/c17-16(18,19)13-3-1-2-4-14(13)20-5-7-21(8-6-20)15(23)22-9-11-24-12-10-22/h1-4H,5-12H2","MERRHWANGSILHO-UHFFFAOYSA-N",null,">30000"]
["D15084",4104,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66991","FC(F)(F)c1ccccc1S(=O)(=O)N1CCN(CC1)C(=O)CC1CC2CCC1C2","InChI=1S/C20H25F3N2O3S/c21-20(22,23)17-3-1-2-4-18(17)29(27,28)25-9-7-24(8-10-25)19(26)13-16-12-14-5-6-15(16)11-14/h1-4,14-16H,5-13H2","UFUSJNCXBKQYCU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15085",4402,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66324","FC(F)(F)c1cnc(CONC(=O)NC=NOCc2ccc(Cl)cc2Cl)c(Cl)c1","InChI=1S/C16H12Cl3F3N4O3/c17-11-2-1-9(12(18)4-11)6-28-25-8-24-15(27)26-29-7-14-13(19)3-10(5-23-14)16(20,21)22/h1-5,8H,6-7H2,(H2,24,25,26,27)","ULJGQGAPJVFAKD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15086",11890,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43037","FC(F)(F)c1cnc(NCCn2c3ccc(Cl)cc3nc(Cl)c2=O)c(Cl)c1","InChI=1S/C16H10Cl3F3N4O/c17-9-1-2-12-11(6-9)25-13(19)15(27)26(12)4-3-23-14-10(18)5-8(7-24-14)16(20,21)22/h1-2,5-7H,3-4H2,(H,23,24)","IOARIYKAASODPP-UHFFFAOYSA-N",{"$nulls":3},36250]
["D15087",28475,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50263326","FC(F)(F)c1cnc(Nc2nc(cs2)-c2ccccn2)c(Cl)c1","InChI=1S/C14H8ClF3N4S/c15-9-5-8(14(16,17)18)6-20-12(9)22-13-21-11(7-23-13)10-3-1-2-4-19-10/h1-7H,(H,20,21,22)","JZFSHWNLSKVTCR-UHFFFAOYSA-N",null,">30000"]
["D15088",4579,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66530","FC(F)(F)c1nc2ccccc2n1CC(=O)NNC1=c2cc(Br)ccc2=NC1=O","InChI=1S/C18H11BrF3N5O2/c19-9-5-6-11-10(7-9)15(16(29)23-11)26-25-14(28)8-27-13-4-2-1-3-12(13)24-17(27)18(20,21)22/h1-7H,8H2,(H,25,28)(H,23,26,29)","DYXNVRHAFMLLIM-UHFFFAOYSA-N",{"$nulls":3},27380]
["D15089",16338,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478414","FC(F)(F)c1nccc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C26H25F3N8O/c27-26(28,29)24-31-8-6-19(32-24)18-3-4-20-21(14-18)34-25(33-20)35-22-13-16(5-7-30-22)15-36-9-11-37(12-10-36)23(38)17-1-2-17/h3-8,13-14,17H,1-2,9-12,15H2,(H2,30,33,34,35)","NZDKKFZWROIENZ-UHFFFAOYSA-N",null,164]
["D15090",16405,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478415","FC(F)(F)c1nccc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CCC4)ccn3)[nH]c2c1","InChI=1S/C27H27F3N8O/c28-27(29,30)25-32-9-7-20(33-25)19-4-5-21-22(15-19)35-26(34-21)36-23-14-17(6-8-31-23)16-37-10-12-38(13-11-37)24(39)18-2-1-3-18/h4-9,14-15,18H,1-3,10-13,16H2,(H2,31,34,35,36)","IWYGKFDIUMILHA-UHFFFAOYSA-N",null,220]
["D15091",16389,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478416","FC(F)(F)c1nccc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC4CC4)ccn3)[nH]c2c1","InChI=1S/C27H27F3N8O/c28-27(29,30)25-32-8-6-20(33-25)19-3-4-21-22(15-19)35-26(34-21)36-23-13-18(5-7-31-23)16-37-9-11-38(12-10-37)24(39)14-17-1-2-17/h3-8,13,15,17H,1-2,9-12,14,16H2,(H2,31,34,35,36)","DYRYEIWYQMNRIS-UHFFFAOYSA-N",null,203]
["D15092",4744,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66668","FC(F)(F)c1nnc(Sc2ccc(cn2)C(F)(F)F)[nH]1","InChI=1S/C9H4F6N4S/c10-8(11,12)4-1-2-5(16-3-4)20-7-17-6(18-19-7)9(13,14)15/h1-3H,(H,17,18,19)","KBAJBABISRBPCN-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15093",11912,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43058","FC(F)(F)c1nnc2c(Sc3ccc(Cl)cc3)nc3ccccc3n12","InChI=1S/C16H8ClF3N4S/c17-9-5-7-10(8-6-9)25-14-13-22-23-15(16(18,19)20)24(13)12-4-2-1-3-11(12)21-14/h1-8H","NOSZMIRNIHHMSB-UHFFFAOYSA-N",{"$nulls":3},32280]
["D15094",14959,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277074","FC(F)C(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(nc12)-c1ccc(CN2CCOCC2)cc1","InChI=1S/C30H29F2N7O3/c31-27(32)30(40)39-9-7-23(8-10-39)42-24-6-5-21(15-22(24)16-33)25-26-29(35-18-34-25)37-28(36-26)20-3-1-19(2-4-20)17-38-11-13-41-14-12-38/h1-6,15,18,23,27H,7-14,17H2,(H,34,35,36,37)","QELZALHAUCFZNA-UHFFFAOYSA-N",null,8.87,{"$nulls":4},7]
["D15095",14566,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277056","FC(F)C(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(nc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C29H27F2N7O3/c30-26(31)29(39)38-9-7-22(8-10-38)41-23-6-3-19(15-20(23)16-32)24-25-28(34-17-33-24)36-27(35-25)18-1-4-21(5-2-18)37-11-13-40-14-12-37/h1-6,15,17,22,26H,7-14H2,(H,33,34,35,36)","NVGAMAVZPPGUDJ-UHFFFAOYSA-N",null,3.63]
["D15096",15382,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277874","FC(F)C(=O)N1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C29H30F2N8O3/c30-26(31)28(40)39-8-7-24(15-39)42-25-6-1-19(13-20(25)14-32)27-33-18-34-29(36-27)35-21-2-4-22(5-3-21)37-9-11-38(12-10-37)23-16-41-17-23/h1-6,13,18,23-24,26H,7-12,15-17H2,(H,33,34,35,36)/t24-/m1/s1","LBXVHQXWNAZSLD-XMMPIXPASA-N",null,21]
["D15097",17343,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278066","FC(F)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C30H31F3N8O3/c31-24-15-41(29(42)27(32)33)8-7-26(24)44-25-6-1-19(13-20(25)14-34)28-35-18-36-30(38-28)37-21-2-4-22(5-3-21)39-9-11-40(12-10-39)23-16-43-17-23/h1-6,13,18,23-24,26-27H,7-12,15-17H2,(H,35,36,37,38)/t24-,26+/m1/s1","UZCZWDYPVDUPEB-RSXGOPAZSA-N",null,3000,{"$nulls":4},7]
["D15098",14621,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277843","FC(F)CN1CCC(CC1)c1ccc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cc1","InChI=1S/C28H30F2N6O2/c29-26(30)17-36-11-7-20(8-12-36)19-1-4-23(5-2-19)34-28-33-18-32-27(35-28)21-3-6-25(22(15-21)16-31)38-24-9-13-37-14-10-24/h1-6,15,18,20,24,26H,7-14,17H2,(H,32,33,34,35)","VZSXBDWSTNVNJE-UHFFFAOYSA-N",null,4]
["D15099",14849,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277066","FC(F)CN1CCC(CC1)c1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCN(CC2)C=O)c(c1)C#N","InChI=1S/C31H31F2N7O2/c32-27(33)17-39-11-7-21(8-12-39)20-1-3-22(4-2-20)30-37-29-28(35-18-36-31(29)38-30)23-5-6-26(24(15-23)16-34)42-25-9-13-40(19-41)14-10-25/h1-6,15,18-19,21,25,27H,7-14,17H2,(H,35,36,37,38)","UAROTPQRUDFOGH-UHFFFAOYSA-N",null,6.4,{"$nulls":4},7]
["D15100",15440,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277068","FC(F)CN1CCC(CC1)c1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCNCC2)c(c1)C#N","InChI=1S/C30H31F2N7O/c31-26(32)17-39-13-9-20(10-14-39)19-1-3-21(4-2-19)29-37-28-27(35-18-36-30(28)38-29)22-5-6-25(23(15-22)16-33)40-24-7-11-34-12-8-24/h1-6,15,18,20,24,26,34H,7-14,17H2,(H,35,36,37,38)","DYVYNFDWCPVADF-UHFFFAOYSA-N",null,26,{"$nulls":4},7]
["D15101",15291,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277073","FC(F)CN1CCN(CC1)c1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCNCC2)c(c1)C#N","InChI=1S/C30H31F2N7O/c31-28(32)18-38-11-13-39(14-12-38)23-4-1-20(2-5-23)26-16-25-29(35-19-36-30(25)37-26)21-3-6-27(22(15-21)17-33)40-24-7-9-34-10-8-24/h1-6,15-16,19,24,28,34H,7-14,18H2,(H,35,36,37)","SRDCCSNBQDUTBH-UHFFFAOYSA-N",null,16.2,{"$nulls":4},7]
["D15102",15288,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM377247","FC(F)CN1CCN(CC1)c1ccc(cc1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCNCC2)c(c1)C#N","InChI=1S/C29H30F2N8O/c30-25(31)17-38-11-13-39(14-12-38)22-4-1-19(2-5-22)28-36-27-26(34-18-35-29(27)37-28)20-3-6-24(21(15-20)16-32)40-23-7-9-33-10-8-23/h1-6,15,18,23,25,33H,7-14,17H2,(H,34,35,36,37)","GEMZAQKPULZSJL-UHFFFAOYSA-N",null,16.2]
["D15103",15343,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276845","FC(F)CN1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C30H29F2N5O2/c31-29(32)19-36-10-8-24(18-36)39-28-6-3-21(15-22(28)17-33)25-7-9-34-30-26(25)16-27(35-30)20-1-4-23(5-2-20)37-11-13-38-14-12-37/h1-7,9,15-16,24,29H,8,10-14,18-19H2,(H,34,35)/t24-/m1/s1","VBYXRFYRNBJBAJ-XMMPIXPASA-N",null,19.1,{"$nulls":4},7]
["D15104",15835,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144196","FC(F)Cn1cc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1","InChI=1S/C22H21F2N5O2/c23-21(24)14-29-13-18(12-27-29)28-22-10-16(3-6-26-22)15-1-2-20(17(9-15)11-25)31-19-4-7-30-8-5-19/h1-3,6,9-10,12-13,19,21H,4-5,7-8,14H2,(H,26,28)","RZQANRRMBKDLGQ-UHFFFAOYSA-N",null,55,{"$nulls":4},7.5,"30.00 C"]
["D15105",14718,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144219","FC(F)Cn1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1","InChI=1S/C21H20F2N6O2/c22-20(23)13-29-12-16(11-26-29)27-21-25-6-3-18(28-21)14-1-2-19(15(9-14)10-24)31-17-4-7-30-8-5-17/h1-3,6,9,11-12,17,20H,4-5,7-8,13H2,(H,25,27,28)","XBFXJAXJSWLRPR-UHFFFAOYSA-N",null,5,{"$nulls":4},7.5,"30.00 C"]
["D15106",16116,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246060","FC(F)OC1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1","InChI=1S/C25H26F2N8O2/c26-24(27)37-21-4-6-35(16-21)23-17(12-28)11-18(13-31-23)22-3-5-29-25(33-22)32-19-1-2-20(30-14-19)15-34-7-9-36-10-8-34/h1-3,5,11,13-14,21,24H,4,6-10,15-16H2,(H,29,32,33)","ZSJKDURWVGXFJO-UHFFFAOYSA-N",null,"<100",{"$nulls":4},7.5]
["D15107",5056,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50547307","FC(F)Oc1cc(F)cc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N","InChI=1S/C21H16F4N4O/c22-14-9-15-19(18(10-14)30-21(24)25)27-12-13(11-26)20(15)29-7-5-28(6-8-29)17-4-2-1-3-16(17)23/h1-4,9-10,12,21H,5-8H2","MQUZIXVGJCRKES-UHFFFAOYSA-N",{"$nulls":3},3800]
["D15108",5055,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50547306","FC(F)Oc1cccc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N","InChI=1S/C21H17F3N4O/c22-16-5-1-2-6-17(16)27-8-10-28(11-9-27)20-14(12-25)13-26-19-15(20)4-3-7-18(19)29-21(23)24/h1-7,13,21H,8-11H2","XUXBNCYNKWMDOS-UHFFFAOYSA-N",{"$nulls":3},">10000"]
["D15109",3894,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66815","FC(F)Oc1ccccc1C(=O)NC1CCCc2ccccc12","InChI=1S/C18H17F2NO2/c19-18(20)23-16-11-4-3-9-14(16)17(22)21-15-10-5-7-12-6-1-2-8-13(12)15/h1-4,6,8-9,11,15,18H,5,7,10H2,(H,21,22)","HPVAXLFXGQDDKM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15110",14748,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397772","FC(F)[C@H]1CCCN1C(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C21H21F2N7O2/c22-20(23)17-2-1-5-30(17)19(31)11-27-14-6-13(8-25-15(14)7-24)16-9-28-18(10-26-16)29-21(32)12-3-4-12/h6,8-10,12,17,20,27H,1-5,11H2,(H,28,29,32)/t17-/m1/s1","SWFNJZADVBIJDD-QGZVFWFLSA-N",null,5.01]
["D15111",15053,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478771","FC(F)c1cc(ccn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C27H27F2N7O/c28-25(29)23-15-20(6-8-30-23)19-3-4-21-22(14-19)33-27(32-21)34-24-13-17(5-7-31-24)16-35-9-11-36(12-10-35)26(37)18-1-2-18/h3-8,13-15,18,25H,1-2,9-12,16H2,(H2,31,32,33,34)","GGLWCNPZGZARGC-UHFFFAOYSA-N",null,9.7]
["D15112",15257,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478770","FC(F)c1cc(ccn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C26H24F5N7O/c27-24(28)21-13-18(4-6-32-21)17-1-2-19-20(12-17)35-25(34-19)36-22-11-16(3-5-33-22)15-37-7-9-38(10-8-37)23(39)14-26(29,30)31/h1-6,11-13,24H,7-10,14-15H2,(H2,33,34,35,36)","MYPATQVNUVXGIW-UHFFFAOYSA-N",null,15]
["D15113",16550,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278231","FC(F)n1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCNC[C@H]3F)c(c2)C#N)cn1","InChI=1S/C19H17F3N8O/c20-14-8-24-4-3-16(14)31-15-2-1-11(5-12(15)6-23)17-25-10-26-19(29-17)28-13-7-27-30(9-13)18(21)22/h1-2,5,7,9-10,14,16,18,24H,3-4,8H2,(H,25,26,28,29)/t14-,16+/m1/s1","CIKDZQBTQZZADZ-ZBFHGGJFSA-N",null,359]
["D15114",14630,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278058","FC1(COc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)COC1","InChI=1S/C27H28FN7O3/c28-27(15-37-16-27)17-38-24-6-1-19(11-20(24)12-29)25-30-18-31-26(33-25)32-21-2-4-22(5-3-21)34-7-9-35(10-8-34)23-13-36-14-23/h1-6,11,18,23H,7-10,13-17H2,(H,30,31,32,33)","BNYOMOHLQOUMQI-UHFFFAOYSA-N",null,4]
["D15115",15793,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278224","FC1(F)CC(CNC1=O)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H28F2N8O3/c29-28(30)12-23(14-32-26(28)39)41-24-6-1-18(11-19(24)13-31)25-33-17-34-27(36-25)35-20-2-4-21(5-3-20)37-7-9-38(10-8-37)22-15-40-16-22/h1-6,11,17,22-23H,7-10,12,14-16H2,(H,32,39)(H,33,34,35,36)","KKWLPBIPKSNWQE-UHFFFAOYSA-N",null,48]
["D15116",14494,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277838","FC1(F)CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C29H31F2N7O2/c30-29(31)9-7-25(8-10-29)40-26-6-1-20(15-21(26)16-32)27-33-19-34-28(36-27)35-22-2-4-23(5-3-22)37-11-13-38(14-12-37)24-17-39-18-24/h1-6,15,19,24-25H,7-14,17-18H2,(H,33,34,35,36)","ITAHCTFGYZEJBW-UHFFFAOYSA-N",null,3]
["D15117",15875,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397773","FC1(F)CCN(C1)C(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C20H19F2N7O2/c21-20(22)3-4-29(11-20)18(30)10-26-14-5-13(7-24-15(14)6-23)16-8-27-17(9-25-16)28-19(31)12-1-2-12/h5,7-9,12,26H,1-4,10-11H2,(H,27,28,31)","VFUONHGNWXJEIK-UHFFFAOYSA-N",null,63.1]
["D15118",16319,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397655","FC1(F)CN(C1)C(=O)CNc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C20H18F2N6O2/c21-20(22)10-28(11-20)18(29)9-25-15-5-13(3-4-14(15)6-23)16-7-26-17(8-24-16)27-19(30)12-1-2-12/h3-5,7-8,12,25H,1-2,9-11H2,(H,26,27,30)","YCTYRSXMVXYEQD-UHFFFAOYSA-N",null,158]
["D15119",14732,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277940","FC1(F)CN(CCC1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1ccc[nH]1",{"$nulls":3},5]
["D15120",14819,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277941","FC1(F)CN(CCC1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1ncc[nH]1",{"$nulls":3},6]
["D15121",17110,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277894","FC1(F)CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)C1CCC(=O)N1","InChI=1S/C33H35F2N9O4/c34-33(35)19-44(31(46)26-6-8-29(45)40-26)10-9-28(33)48-27-7-1-21(15-22(27)16-36)30-37-20-38-32(41-30)39-23-2-4-24(5-3-23)42-11-13-43(14-12-42)25-17-47-18-25/h1-5,7,15,20,25-26,28H,6,8-14,17-19H2,(H,40,45)(H,37,38,39,41)/t26?,28-/m0/s1","DERUAVKPXVIDJF-RXBHZZDJSA-N",null,2000,{"$nulls":4},7]
["D15122",14518,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277938","FC1(F)CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)CC#N","InChI=1S/C31H31F2N9O3/c32-31(33)19-42(28(43)7-9-34)10-8-27(31)45-26-6-1-21(15-22(26)16-35)29-36-20-37-30(39-29)38-23-2-4-24(5-3-23)40-11-13-41(14-12-40)25-17-44-18-25/h1-6,15,20,25,27H,7-8,10-14,17-19H2,(H,36,37,38,39)/t27-/m0/s1","WCLRIRXWQJSMFJ-MHZLTWQESA-N",null,3]
["D15123",17140,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278297","FC1(F)CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)[C@@H]1COC(=O)N1","InChI=1S/C32H33F2N9O5/c33-32(34)18-43(29(44)25-17-47-31(45)39-25)8-7-27(32)48-26-6-1-20(13-21(26)14-35)28-36-19-37-30(40-28)38-22-2-4-23(5-3-22)41-9-11-42(12-10-41)24-15-46-16-24/h1-6,13,19,24-25,27H,7-12,15-18H2,(H,39,45)(H,36,37,38,40)/t25-,27-/m0/s1","FFJWWHJFVJPCSI-BDYUSTAISA-N",null,2000,{"$nulls":4},7]
["D15124",17141,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278298","FC1(F)CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)[C@@H]1CSC(=O)N1","InChI=1S/C32H33F2N9O4S/c33-32(34)18-43(29(44)25-17-48-31(45)39-25)8-7-27(32)47-26-6-1-20(13-21(26)14-35)28-36-19-37-30(40-28)38-22-2-4-23(5-3-22)41-9-11-42(12-10-41)24-15-46-16-24/h1-6,13,19,24-25,27H,7-12,15-18H2,(H,39,45)(H,36,37,38,40)/t25-,27-/m0/s1","HBHICVRUJWTCFE-BDYUSTAISA-N",null,2000,{"$nulls":4},7]
["D15125",14519,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277942","FC1(F)CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1ccn[nH]1",{"$nulls":3},3]
["D15126",14520,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM375442","FC1(F)CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1cnc[nH]1",{"$nulls":3},3]
["D15127",17101,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277943","FC1(F)CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1cnn[nH]1",{"$nulls":3},2000,{"$nulls":4},7]
["D15128",17102,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277944","FC1(F)CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1nnc[nH]1",{"$nulls":3},2000,{"$nulls":4},7]
["D15129",14821,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277972","FC1(F)CNCC1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C27H28F2N8O2/c28-27(29)16-31-13-24(27)39-23-6-1-18(11-19(23)12-30)25-32-17-33-26(35-25)34-20-2-4-21(5-3-20)36-7-9-37(10-8-36)22-14-38-15-22/h1-6,11,17,22,24,31H,7-10,13-16H2,(H,32,33,34,35)","RAXXCAWEWBKBKU-UHFFFAOYSA-N",null,6]
["D15130",14505,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277926","FC1(F)CNCCC1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H30F2N8O2/c29-28(30)17-32-8-7-25(28)40-24-6-1-19(13-20(24)14-31)26-33-18-34-27(36-26)35-21-2-4-22(5-3-21)37-9-11-38(12-10-37)23-15-39-16-23/h1-6,13,18,23,25,32H,7-12,15-17H2,(H,33,34,35,36)","QIRUIRJJCDYWKQ-UHFFFAOYSA-N",null,3]
["D15131",15798,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277927","FC1(F)CNCC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H30F2N8O2/c29-28(30)17-32-8-7-25(28)40-24-6-1-19(13-20(24)14-31)26-33-18-34-27(36-26)35-21-2-4-22(5-3-21)37-9-11-38(12-10-37)23-15-39-16-23/h1-6,13,18,23,25,32H,7-12,15-17H2,(H,33,34,35,36)/t25-/m0/s1","QIRUIRJJCDYWKQ-VWLOTQADSA-N",null,49]
["D15132",17099,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277928","FC1(F)CNCC[C@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H30F2N8O2/c29-28(30)17-32-8-7-25(28)40-24-6-1-19(13-20(24)14-31)26-33-18-34-27(36-26)35-21-2-4-22(5-3-21)37-9-11-38(12-10-37)23-15-39-16-23/h1-6,13,18,23,25,32H,7-12,15-17H2,(H,33,34,35,36)/t25-/m1/s1","QIRUIRJJCDYWKQ-RUZDIDTESA-N",null,2000,{"$nulls":4},7]
["D15133",16247,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278053","FC1(F)Oc2ccc(Nc3ncnc(n3)-c3ccc(OC4CCOCC4)c(c3)C#N)cc2O1","InChI=1S/C22H17F2N5O4/c23-22(24)32-18-4-2-15(10-19(18)33-22)28-21-27-12-26-20(29-21)13-1-3-17(14(9-13)11-25)31-16-5-7-30-8-6-16/h1-4,9-10,12,16H,5-8H2,(H,26,27,28,29)","LHXLDDHQDUKPIM-UHFFFAOYSA-N",null,115]
["D15134",16118,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397774","FCC1CCCN1C(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C21H22FN7O2/c22-7-15-2-1-5-29(15)20(30)12-26-16-6-14(9-24-17(16)8-23)18-10-27-19(11-25-18)28-21(31)13-3-4-13/h6,9-11,13,15,26H,1-5,7,12H2,(H,27,28,31)","HJDVBGSRHPWTAM-UHFFFAOYSA-N",null,100]
["D15135",16267,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397706","FC[C@H]1COCCN1C(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C21H22FN7O3/c22-6-15-12-32-4-3-29(15)20(30)11-26-16-5-14(8-24-17(16)7-23)18-9-27-19(10-25-18)28-21(31)13-1-2-13/h5,8-10,13,15,26H,1-4,6,11-12H2,(H,27,28,31)/t15-/m0/s1","DZWMKRVCOZDLEZ-HNNXBMFYSA-N",null,126]
["D15136",16220,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM375406","F[C@@H]1CC(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)C1CCCCN1","InChI=1S/C35H41FN8O3/c36-29-18-23(33(45)30-3-1-2-12-38-30)4-11-32(29)47-31-10-5-24(17-25(31)19-37)34-39-22-40-35(42-34)41-26-6-8-27(9-7-26)43-13-15-44(16-14-43)28-20-46-21-28/h5-10,17,22-23,28-30,32,38H,1-4,11-16,18,20-21H2,(H,39,40,41,42)/t23?,29-,30?,32+/m1/s1","MGIZUIUZQILGHG-HWMOAQGMSA-N",null,101]
["D15137",15475,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM375405","F[C@@H]1CC(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)C1CCCN1","InChI=1S/C34H39FN8O3/c35-28-17-22(32(44)29-2-1-11-37-29)3-10-31(28)46-30-9-4-23(16-24(30)18-36)33-38-21-39-34(41-33)40-25-5-7-26(8-6-25)42-12-14-43(15-13-42)27-19-45-20-27/h4-9,16,21-22,27-29,31,37H,1-3,10-15,17,19-20H2,(H,38,39,40,41)/t22?,28-,29?,31+/m1/s1","HGOYCHSHBKWHRW-ZOPYBBGNSA-N",null,29]
["D15138",15422,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM375407","F[C@@H]1CC(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)[C@@H]1CC(F)(F)CN1","InChI=1S/C34H37F3N8O3/c35-27-14-21(31(46)28-15-34(36,37)19-39-28)1-8-30(27)48-29-7-2-22(13-23(29)16-38)32-40-20-41-33(43-32)42-24-3-5-25(6-4-24)44-9-11-45(12-10-44)26-17-47-18-26/h2-7,13,20-21,26-28,30,39H,1,8-12,14-15,17-19H2,(H,40,41,42,43)/t21?,27-,28+,30+/m1/s1","WPZMZHNNOPEPPA-KPEOTBALSA-N",null,25]
["D15139",17463,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278215","F[C@@H]1CC(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1nc(=O)[nH][nH]1","InChI=1S/C32H31FN10O4/c33-25-14-19(28(44)30-39-32(45)41-40-30)1-8-27(25)47-26-7-2-20(13-21(26)15-34)29-35-18-36-31(38-29)37-22-3-5-23(6-4-22)42-9-11-43(12-10-42)24-16-46-17-24/h2-7,13,18-19,24-25,27H,1,8-12,14,16-17H2,(H,35,36,37,38)/t19?,25-,27+/m1/s1","YFBIMARCKLAACG-ZGOHAYIYSA-N",null,4000,{"$nulls":4},7]
["D15140",18046,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278214","F[C@@H]1CC(Cc2nc(=O)[nH][nH]2)CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C32H33FN10O3/c33-26-13-20(14-29-38-32(44)41-40-29)1-7-28(26)46-27-8-2-21(15-22(27)16-34)30-35-19-36-31(39-30)37-23-3-5-24(6-4-23)42-9-11-43(12-10-42)25-17-45-18-25/h2-6,8,15,19-20,25-26,28H,1,7,9-14,17-18H2,(H,35,36,37,39)/t20?,26-,28+/m1/s1","MYQVQLAPDDXBBJ-DXIPVMJCSA-N",null,27000,{"$nulls":4},7]
["D15141",14826,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278070","F[C@@H]1CCCC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)C2CCNCC2)n1","InChI=1S/C27H29FN6O/c28-23-3-1-2-4-25(23)35-24-10-7-20(15-21(24)16-29)26-31-17-32-27(34-26)33-22-8-5-18(6-9-22)19-11-13-30-14-12-19/h5-10,15,17,19,23,25,30H,1-4,11-14H2,(H,31,32,33,34)/t23-,25+/m1/s1","JSWSNMUJSFRFCL-NOZRDPDXSA-N",null,6]
["D15142",15416,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278073","F[C@@H]1CCCC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2cnn(c2)C2CCNCC2)n1","InChI=1S/C24H27FN8O/c25-20-3-1-2-4-22(20)34-21-6-5-16(11-17(21)12-26)23-28-15-29-24(32-23)31-18-13-30-33(14-18)19-7-9-27-10-8-19/h5-6,11,13-15,19-20,22,27H,1-4,7-10H2,(H,28,29,31,32)/t20-,22+/m1/s1","AEIPIIUQGITKFW-IRLDBZIGSA-N",null,24]
["D15143",15280,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278201","F[C@@H]1CCN(C1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C33H37F2N9O3/c34-24-7-9-43(17-24)33(45)44-10-8-30(28(35)18-44)47-29-6-1-22(15-23(29)16-36)31-37-21-38-32(40-31)39-25-2-4-26(5-3-25)41-11-13-42(14-12-41)27-19-46-20-27/h1-6,15,21,24,27-28,30H,7-14,17-20H2,(H,37,38,39,40)/t24-,28-,30+/m1/s1","HFAXBZJTOTZRQT-MLWJCNIFSA-N",null,16]
["D15144",17352,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277978","F[C@@H]1CCN(C1)c1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C27H29FN8O/c28-21-7-8-36(15-21)25-6-1-19(13-20(25)14-29)26-30-18-31-27(33-26)32-22-2-4-23(5-3-22)34-9-11-35(12-10-34)24-16-37-17-24/h1-6,13,18,21,24H,7-12,15-17H2,(H,30,31,32,33)/t21-/m1/s1","VIWQXWZKZHSYLR-OAQYLSRUSA-N",null,3000,{"$nulls":4},7]
["D15145",15492,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246016","F[C@@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(NC(=O)CN3CCOCC3)nc2)n1","InChI=1S/C25H26FN9O2/c26-19-4-6-35(15-19)24-17(12-27)11-18(13-30-24)21-3-5-28-25(32-21)31-20-1-2-22(29-14-20)33-23(36)16-34-7-9-37-10-8-34/h1-3,5,11,13-14,19H,4,6-10,15-16H2,(H,28,31,32)(H,29,33,36)/t19-/m1/s1","PMLYJXUBGAYNLT-LJQANCHMSA-N",null,"<30",{"$nulls":4},7.5]
["D15146",15239,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246015","F[C@@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccnc(NC(=O)CN3CCOCC3)c2)n1","InChI=1S/C25H26FN9O2/c26-19-3-6-35(15-19)24-17(13-27)11-18(14-30-24)21-2-5-29-25(32-21)31-20-1-4-28-22(12-20)33-23(36)16-34-7-9-37-10-8-34/h1-2,4-5,11-12,14,19H,3,6-10,15-16H2,(H2,28,29,31,32,33,36)/t19-/m1/s1","INNNCZDYXKUHLV-LJQANCHMSA-N",null,"<15",{"$nulls":4},7.5]
["D15147",14623,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277890","F[C@@H]1CN(CCC1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)[C@@H]1CCC(=O)N1","InChI=1S/C33H36FN9O4/c34-26-17-43(32(45)27-6-8-30(44)39-27)10-9-29(26)47-28-7-1-21(15-22(28)16-35)31-36-20-37-33(40-31)38-23-2-4-24(5-3-23)41-11-13-42(14-12-41)25-18-46-19-25/h1-5,7,15,20,25-27,29H,6,8-14,17-19H2,(H,39,44)(H,36,37,38,40)/t26-,27+,29?/m1/s1","HYSXCIWSGSVAGD-QZIBZCQVSA-N",null,4]
["D15148",15889,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277891","F[C@@H]1CN(CCC1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)[C@H]1CCC(=O)N1","InChI=1S/C33H36FN9O4/c34-26-17-43(32(45)27-6-8-30(44)39-27)10-9-29(26)47-28-7-1-21(15-22(28)16-35)31-36-20-37-33(40-31)38-23-2-4-24(5-3-23)41-11-13-42(14-12-41)25-18-46-19-25/h1-5,7,15,20,25-27,29H,6,8-14,17-19H2,(H,39,44)(H,36,37,38,40)/t26-,27-,29?/m1/s1","HYSXCIWSGSVAGD-PNDVLSOFSA-N",null,64]
["D15149",14640,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278108","F[C@@H]1CN(CC[C@@H]1Oc1c(F)cc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)CC#N","InChI=1S/C31H31F2N9O3/c32-25-14-20(13-21(15-35)29(25)45-27-6-8-42(16-26(27)33)28(43)5-7-34)30-36-19-37-31(39-30)38-22-1-3-23(4-2-22)40-9-11-41(12-10-40)24-17-44-18-24/h1-4,13-14,19,24,26-27H,5-6,8-12,16-18H2,(H,36,37,38,39)/t26-,27+/m1/s1","UPZKHLXFSICFCN-SXOMAYOGSA-N",null,4]
["D15150",14649,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278150","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(N3CCN(CC3)C3COC3)c(F)c2)n1)C(=O)C1CCC(=O)N1","InChI=1S/C33H35F2N9O4/c34-24-14-22(2-4-27(24)43-11-9-42(10-12-43)23-17-47-18-23)39-33-38-19-37-31(41-33)20-1-5-28(21(13-20)15-36)48-29-7-8-44(16-25(29)35)32(46)26-3-6-30(45)40-26/h1-2,4-5,13-14,19,23,25-26,29H,3,6-12,16-18H2,(H,40,45)(H,37,38,39,41)/t25-,26?,29+/m1/s1","KPGIDJSDXDIHSZ-VJHAGTGTSA-N",null,4]
["D15151",17321,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278182","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(N3CCN(CC3)C3COC3)c(F)c2)n1)C(=O)CC#N","InChI=1S/C31H31F2N9O3/c32-24-14-22(2-3-26(24)41-11-9-40(10-12-41)23-17-44-18-23)38-31-37-19-36-30(39-31)20-1-4-27(21(13-20)15-35)45-28-6-8-42(16-25(28)33)29(43)5-7-34/h1-4,13-14,19,23,25,28H,5-6,8-12,16-18H2,(H,36,37,38,39)/t25-,28+/m1/s1","WCLJFOSBOGMLNI-NAKRPHOHSA-N",null,3000,{"$nulls":4},7]
["D15152",16653,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278151","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(N3CCN(CC3)C3COC3)c(F)c2)n1)C(=O)c1cnn[nH]1",{"$nulls":3},2]
["D15153",17345,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278074","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(N3CCNCC3)c(F)c2)n1)C=O","InChI=1S/C26H26F2N8O2/c27-20-12-19(2-3-22(20)36-9-6-30-7-10-36)33-26-32-15-31-25(34-26)17-1-4-23(18(11-17)13-29)38-24-5-8-35(16-37)14-21(24)28/h1-4,11-12,15-16,21,24,30H,5-10,14H2,(H,31,32,33,34)/t21-,24+/m1/s1","XIBSPXSQCNVPPC-QPPBQGQZSA-N",null,3000,{"$nulls":4},7]
["D15154",17437,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278097","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)C2CCN(CC2)C2COC2)n1)C(=O)Cc1cnn[nH]1",{"$nulls":3},4000,{"$nulls":4},7]
["D15155",17082,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278096","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)C2CCN(CC2)C2COC2)n1)C(=O)c1ccn[nH]1",{"$nulls":3},2000,{"$nulls":4},7]
["D15156",15513,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278365","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)C1(CC1)C#N","InChI=1S/C33H34FN9O3/c34-27-17-43(31(44)33(20-36)8-9-33)10-7-29(27)46-28-6-1-22(15-23(28)16-35)30-37-21-38-32(40-30)39-24-2-4-25(5-3-24)41-11-13-42(14-12-41)26-18-45-19-26/h1-6,15,21,26-27,29H,7-14,17-19H2,(H,37,38,39,40)/t27-,29+/m1/s1","KGUSNMYSGVTIPQ-PXJZQJOASA-N",null,30]
["D15157",14500,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277895","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)C1CCCC(=O)N1","InChI=1S/C34H38FN9O4/c35-27-18-44(33(46)28-2-1-3-31(45)40-28)11-10-30(27)48-29-9-4-22(16-23(29)17-36)32-37-21-38-34(41-32)39-24-5-7-25(8-6-24)42-12-14-43(15-13-42)26-19-47-20-26/h4-9,16,21,26-28,30H,1-3,10-15,18-20H2,(H,40,45)(H,37,38,39,41)/t27-,28?,30+/m1/s1","QKOHTLRHPMZEDI-YPXYZIOHSA-N",null,3]
["D15158",16534,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277907","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)C1CCCCN1","InChI=1S/C34H40FN9O3/c35-28-19-44(33(45)29-3-1-2-11-37-29)12-10-31(28)47-30-9-4-23(17-24(30)18-36)32-38-22-39-34(41-32)40-25-5-7-26(8-6-25)42-13-15-43(16-14-42)27-20-46-21-27/h4-9,17,22,27-29,31,37H,1-3,10-16,19-21H2,(H,38,39,40,41)/t28-,29?,31+/m1/s1","HRRTZVXYVHXWKO-YJOOZIDKSA-N",null,334]
["D15159",18055,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277908","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)C1CCCN1","InChI=1S/C33H38FN9O3/c34-27-18-43(32(44)28-2-1-10-36-28)11-9-30(27)46-29-8-3-22(16-23(29)17-35)31-37-21-38-33(40-31)39-24-4-6-25(7-5-24)41-12-14-42(15-13-41)26-19-45-20-26/h3-8,16,21,26-28,30,36H,1-2,9-15,18-20H2,(H,37,38,39,40)/t27-,28?,30+/m1/s1","DCWNXVNZGSMQJH-YPXYZIOHSA-N",null,29000,{"$nulls":4},7]
["D15160",15279,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278329","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)C1CCNC1=O","InChI=1S/C33H36FN9O4/c34-27-17-43(32(45)26-7-9-36-31(26)44)10-8-29(27)47-28-6-1-21(15-22(28)16-35)30-37-20-38-33(40-30)39-23-2-4-24(5-3-23)41-11-13-42(14-12-41)25-18-46-19-25/h1-6,15,20,25-27,29H,7-14,17-19H2,(H,36,44)(H,37,38,39,40)/t26?,27-,29+/m1/s1","BRFDVBCXJGJSLT-OCDUHGDJSA-N",null,16]
["D15161",14886,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277896","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)C1CCS(=O)(=O)N1","InChI=1S/C32H36FN9O5S/c33-26-17-42(31(43)27-8-14-48(44,45)39-27)9-7-29(26)47-28-6-1-21(15-22(28)16-34)30-35-20-36-32(38-30)37-23-2-4-24(5-3-23)40-10-12-41(13-11-40)25-18-46-19-25/h1-6,15,20,25-27,29,39H,7-14,17-19H2,(H,35,36,37,38)/t26-,27?,29+/m1/s1","SEALVQFEVWSWSB-BASRVRKUSA-N",null,7]
["D15162",15387,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278326","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)C1CNC(=O)C1","InChI=1S/C33H36FN9O4/c34-27-17-43(32(45)23-14-30(44)36-16-23)8-7-29(27)47-28-6-1-21(13-22(28)15-35)31-37-20-38-33(40-31)39-24-2-4-25(5-3-24)41-9-11-42(12-10-41)26-18-46-19-26/h1-6,13,20,23,26-27,29H,7-12,14,16-19H2,(H,36,44)(H,37,38,39,40)/t23?,27-,29+/m1/s1","MTACLHIRLHMIMM-SAPFGXBXSA-N",null,21]
["D15163",17324,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278192","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)C1CNC(=O)N1","InChI=1S/C32H35FN10O4/c33-25-16-43(30(44)26-15-35-32(45)39-26)8-7-28(25)47-27-6-1-20(13-21(27)14-34)29-36-19-37-31(40-29)38-22-2-4-23(5-3-22)41-9-11-42(12-10-41)24-17-46-18-24/h1-6,13,19,24-26,28H,7-12,15-18H2,(H2,35,39,45)(H,36,37,38,40)/t25-,26?,28+/m1/s1","ZJMAFHCQSGKWEA-FKKPLYEASA-N",null,3000,{"$nulls":4},7]
["D15164",17095,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277916","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)CC#N","InChI=1S/C31H32FN9O3/c32-26-17-41(29(42)7-9-33)10-8-28(26)44-27-6-1-21(15-22(27)16-34)30-35-20-36-31(38-30)37-23-2-4-24(5-3-23)39-11-13-40(14-12-39)25-18-43-19-25/h1-6,15,20,25-26,28H,7-8,10-14,17-19H2,(H,35,36,37,38)/t26-,28+/m1/s1","NKOOCLRGRSRSGW-IAPPQJPRSA-N",null,2000,{"$nulls":4},7]
["D15165",15307,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278195","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)CCC#N","InChI=1S/C32H34FN9O3/c33-27-18-42(30(43)2-1-10-34)11-9-29(27)45-28-8-3-22(16-23(28)17-35)31-36-21-37-32(39-31)38-24-4-6-25(7-5-24)40-12-14-41(15-13-40)26-19-44-20-26/h3-8,16,21,26-27,29H,1-2,9,11-15,18-20H2,(H,36,37,38,39)/t27-,29+/m1/s1","NEVVKGZPUFPIOF-PXJZQJOASA-N",null,17]
["D15166",15195,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278098","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)Cc1ccn[nH]1",{"$nulls":3},14]
["D15167",14635,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM375594","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)Cc1cnn[nH]1",{"$nulls":3},4]
["D15168",15708,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278155","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)Cn1cnnc1","InChI=1S/C32H34FN11O3/c33-27-15-44(30(45)16-41-20-37-38-21-41)8-7-29(27)47-28-6-1-22(13-23(28)14-34)31-35-19-36-32(40-31)39-24-2-4-25(5-3-24)42-9-11-43(12-10-42)26-17-46-18-26/h1-6,13,19-21,26-27,29H,7-12,15-18H2,(H,35,36,39,40)/t27-,29+/m1/s1","UAFQFBIOGSEILE-PXJZQJOASA-N",null,37]
["D15169",14800,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278202","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)N1CCCC1","InChI=1S/C33H38FN9O3/c34-28-19-43(33(44)42-10-1-2-11-42)12-9-30(28)46-29-8-3-23(17-24(29)18-35)31-36-22-37-32(39-31)38-25-4-6-26(7-5-25)40-13-15-41(16-14-40)27-20-45-21-27/h3-8,17,22,27-28,30H,1-2,9-16,19-21H2,(H,36,37,38,39)/t28-,30+/m1/s1","WOJOHNDHPPXORN-DGPALRBDSA-N",null,6]
["D15170",14483,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278307","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)[C@@H]1CC(=O)N1","InChI=1S/C32H34FN9O4/c33-25-16-42(31(44)26-14-29(43)38-26)8-7-28(25)46-27-6-1-20(13-21(27)15-34)30-35-19-36-32(39-30)37-22-2-4-23(5-3-22)40-9-11-41(12-10-40)24-17-45-18-24/h1-6,13,19,24-26,28H,7-12,14,16-18H2,(H,38,43)(H,35,36,37,39)/t25-,26+,28+/m1/s1","ZWZIEGZIYXZTBK-PBWSGDRGSA-N",null,3]
["D15171",18041,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277910","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)[C@@H]1CC(F)(F)CN1","InChI=1S/C33H36F3N9O3/c34-26-16-45(31(46)27-14-33(35,36)19-38-27)8-7-29(26)48-28-6-1-21(13-22(28)15-37)30-39-20-40-32(42-30)41-23-2-4-24(5-3-23)43-9-11-44(12-10-43)25-17-47-18-25/h1-6,13,20,25-27,29,38H,7-12,14,16-19H2,(H,39,40,41,42)/t26-,27+,29+/m1/s1","JTOCWEDXBKMOIY-XQFUHLNNSA-N",null,25000,{"$nulls":4},7]
["D15172",14603,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278282","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)[C@@H]1CCCO1","InChI=1S/C33H37FN8O4/c34-27-18-42(32(43)30-2-1-15-45-30)10-9-29(27)46-28-8-3-22(16-23(28)17-35)31-36-21-37-33(39-31)38-24-4-6-25(7-5-24)40-11-13-41(14-12-40)26-19-44-20-26/h3-8,16,21,26-27,29-30H,1-2,9-15,18-20H2,(H,36,37,38,39)/t27-,29+,30+/m1/s1","NQNZYPAXUPVTTP-GGCFSWKVSA-N",null,4]
["D15173",16637,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278111","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)[C@@H]1COC(=O)N1","InChI=1S/C32H34FN9O5/c33-25-15-42(30(43)26-18-46-32(44)38-26)8-7-28(25)47-27-6-1-20(13-21(27)14-34)29-35-19-36-31(39-29)37-22-2-4-23(5-3-22)40-9-11-41(12-10-40)24-16-45-17-24/h1-6,13,19,24-26,28H,7-12,15-18H2,(H,38,44)(H,35,36,37,39)/t25-,26+,28+/m1/s1","PQKQGHLWCVRRTC-PBWSGDRGSA-N",null,2]
["D15174",15405,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278253","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)[C@@H]1COCCN1","InChI=1S/C33H38FN9O4/c34-27-17-43(32(44)28-20-45-14-8-36-28)9-7-30(27)47-29-6-1-22(15-23(29)16-35)31-37-21-38-33(40-31)39-24-2-4-25(5-3-24)41-10-12-42(13-11-41)26-18-46-19-26/h1-6,15,21,26-28,30,36H,7-14,17-20H2,(H,37,38,39,40)/t27-,28+,30+/m1/s1","QITNWYBMPWTXBP-UNRZKBSHSA-N",null,23]
["D15175",17142,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278308","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)[C@@H]1CSC(=O)N1","InChI=1S/C32H34FN9O4S/c33-25-15-42(30(43)26-18-47-32(44)38-26)8-7-28(25)46-27-6-1-20(13-21(27)14-34)29-35-19-36-31(39-29)37-22-2-4-23(5-3-22)40-9-11-41(12-10-40)24-16-45-17-24/h1-6,13,19,24-26,28H,7-12,15-18H2,(H,38,44)(H,35,36,37,39)/t25-,26+,28+/m1/s1","XPEJHDGXKRHLPF-PBWSGDRGSA-N",null,2000,{"$nulls":4},7]
["D15176",15130,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278283","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)[C@H]1CCCO1","InChI=1S/C33H37FN8O4/c34-27-18-42(32(43)30-2-1-15-45-30)10-9-29(27)46-28-8-3-22(16-23(28)17-35)31-36-21-37-33(39-31)38-24-4-6-25(7-5-24)40-11-13-41(14-12-40)26-19-44-20-26/h3-8,16,21,26-27,29-30H,1-2,9-15,18-20H2,(H,36,37,38,39)/t27-,29+,30-/m1/s1","NQNZYPAXUPVTTP-CCNCKIRNSA-N",null,12]
["D15177",14736,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278100","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1[nH]ncc1Cl",{"$nulls":3},5]
["D15178",14636,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278102","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1cc(Cl)n[nH]1",{"$nulls":3},4]
["D15179",15338,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277915","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1cc[nH]c(=O)c1",{"$nulls":3},19]
["D15180",14501,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277919","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1ccc[nH]1",{"$nulls":3},3]
["D15181",17323,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278191","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1cccc(=O)[nH]1",{"$nulls":3},3000,{"$nulls":4},7]
["D15182",17098,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277923","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1ccn[nH]1",{"$nulls":3},2000,{"$nulls":4},7]
["D15183",14641,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278115","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1ccncn1","InChI=1S/C33H33FN10O3/c34-27-17-44(32(45)28-7-9-36-20-37-28)10-8-30(27)47-29-6-1-22(15-23(29)16-35)31-38-21-39-33(41-31)40-24-2-4-25(5-3-24)42-11-13-43(14-12-42)26-18-46-19-26/h1-7,9,15,20-21,26-27,30H,8,10-14,17-19H2,(H,38,39,40,41)/t27-,30+/m1/s1","XBCBFDCAXPJGAC-OFSOJUDTSA-N",null,4]
["D15184",15020,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278116","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1ccnnc1","InChI=1S/C33H33FN10O3/c34-28-18-44(32(45)23-7-9-38-39-17-23)10-8-30(28)47-29-6-1-22(15-24(29)16-35)31-36-21-37-33(41-31)40-25-2-4-26(5-3-25)42-11-13-43(14-12-42)27-19-46-20-27/h1-7,9,15,17,21,27-28,30H,8,10-14,18-20H2,(H,36,37,40,41)/t28-,30+/m1/s1","LLEBFJIBRVSPPZ-DGPALRBDSA-N",null,9]
["D15185",17177,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278134","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1cn[nH]c1",{"$nulls":3},2]
["D15186",15787,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277914","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1cn[nH]c1Cl",{"$nulls":3},46]
["D15187",14503,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277924","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1cnc[nH]1",{"$nulls":3},3]
["D15188",16638,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278114","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1cnccn1","InChI=1S/C33H33FN10O3/c34-27-18-44(32(45)28-17-36-8-9-37-28)10-7-30(27)47-29-6-1-22(15-23(29)16-35)31-38-21-39-33(41-31)40-24-2-4-25(5-3-24)42-11-13-43(14-12-42)26-19-46-20-26/h1-6,8-9,15,17,21,26-27,30H,7,10-14,18-20H2,(H,38,39,40,41)/t27-,30+/m1/s1","XTPGUKVKXNYSMW-OFSOJUDTSA-N",null,2]
["D15189",17305,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278251","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1cnco1","InChI=1S/C32H32FN9O4/c33-26-16-42(31(43)29-15-35-20-45-29)8-7-28(26)46-27-6-1-21(13-22(27)14-34)30-36-19-37-32(39-30)38-23-2-4-24(5-3-23)40-9-11-41(12-10-40)25-17-44-18-25/h1-6,13,15,19-20,25-26,28H,7-12,16-18H2,(H,36,37,38,39)/t26-,28+/m1/s1","FCWVMSWAFDHFAH-IAPPQJPRSA-N",null,3000,{"$nulls":4},7]
["D15190",17096,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277921","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1cnn[nH]1",{"$nulls":3},2000,{"$nulls":4},7]
["D15191",14482,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278303","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1coc(=O)[nH]1",{"$nulls":3},3]
["D15192",17307,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278255","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1cocn1","InChI=1S/C32H32FN9O4/c33-26-15-42(31(43)27-18-45-20-37-27)8-7-29(26)46-28-6-1-21(13-22(28)14-34)30-35-19-36-32(39-30)38-23-2-4-24(5-3-23)40-9-11-41(12-10-40)25-16-44-17-25/h1-6,13,18-20,25-26,29H,7-12,15-17H2,(H,35,36,38,39)/t26-,29+/m1/s1","DBCOIMLDAUYRMG-UHSQPCAPSA-N",null,3000,{"$nulls":4},7]
["D15193",14594,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM375712","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1nc(=O)[nH][nH]1","InChI=1S/C31H30FN11O4/c32-24-15-43(29(44)28-38-31(45)40-39-28)8-7-26(24)47-25-6-1-19(13-20(25)14-33)27-34-18-35-30(37-27)36-21-2-4-22(5-3-21)41-9-11-42(12-10-41)23-16-46-17-23/h1-6,13,18,23-24,26H,7-12,15-17H2,(H,34,35,36,37)/t24-,26+/m1/s1","MUXGQVYHOPOSSO-RSXGOPAZSA-N",null,4]
["D15194",14502,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277920","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1ncc[nH]1",{"$nulls":3},3]
["D15195",17097,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277922","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)c1nnc[nH]1",{"$nulls":3},2000,{"$nulls":4},7]
["D15196",16432,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277888","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C1CCOC1","InChI=1S/C32H37FN8O3/c33-28-17-41(26-8-14-42-18-26)9-7-30(28)44-29-6-1-22(15-23(29)16-34)31-35-21-36-32(38-31)37-24-2-4-25(5-3-24)39-10-12-40(13-11-39)27-19-43-20-27/h1-6,15,21,26-28,30H,7-14,17-20H2,(H,35,36,37,38)/t26?,28-,30+/m1/s1","KZKVLYLDNIWFTA-ATKFOFSXSA-N",null,243]
["D15197",16303,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277889","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C1COC1","InChI=1S/C31H35FN8O3/c32-27-15-40(26-18-42-19-26)8-7-29(27)43-28-6-1-21(13-22(28)14-33)30-34-20-35-31(37-30)36-23-2-4-24(5-3-23)38-9-11-39(12-10-38)25-16-41-17-25/h1-6,13,20,25-27,29H,7-12,15-19H2,(H,34,35,36,37)/t27-,29+/m1/s1","JBPMTDZMVNGIAJ-PXJZQJOASA-N",null,146]
["D15198",15790,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278258","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)c1ccccn1","InChI=1S/C33H34FN9O2/c34-28-19-43(31-3-1-2-11-36-31)12-10-30(28)45-29-9-4-23(17-24(29)18-35)32-37-22-38-33(40-32)39-25-5-7-26(8-6-25)41-13-15-42(16-14-41)27-20-44-21-27/h1-9,11,17,22,27-28,30H,10,12-16,19-21H2,(H,37,38,39,40)/t28-,30+/m1/s1","KQBFDDHLYOSPQS-DGPALRBDSA-N",null,47]
["D15199",16910,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278389","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)c1cccnc1","InChI=1S/C33H34FN9O2/c34-29-19-43(27-2-1-10-36-18-27)11-9-31(29)45-30-8-3-23(16-24(30)17-35)32-37-22-38-33(40-32)39-25-4-6-26(7-5-25)41-12-14-42(15-13-41)28-20-44-21-28/h1-8,10,16,18,22,28-29,31H,9,11-15,19-21H2,(H,37,38,39,40)/t29-,31+/m1/s1","CSUHVQMQBZJUHZ-VEEOACQBSA-N",null,1000]
["D15200",14596,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278244","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN3CCOC[C@H]3C2)n1)C(=O)[C@@H]1CCC(=O)N1","InChI=1S/C33H36FN9O4/c34-26-18-43(32(45)27-6-8-30(44)39-27)10-9-29(26)47-28-7-1-21(15-22(28)16-35)31-36-20-37-33(40-31)38-23-2-4-24(5-3-23)42-12-11-41-13-14-46-19-25(41)17-42/h1-5,7,15,20,25-27,29H,6,8-14,17-19H2,(H,39,44)(H,36,37,38,40)/t25-,26-,27+,29+/m1/s1","ZNIAQJSLKPUMAU-DIBLIPFTSA-N",null,4]
["D15201",16956,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278152","F[C@@H]1CN(CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2F)N2CCN(CC2)C2COC2)n1)C(=O)C1CCC(=O)N1","InChI=1S/C33H35F2N9O4/c34-24-14-22(42-9-11-43(12-10-42)23-17-47-18-23)2-3-26(24)40-33-38-19-37-31(41-33)20-1-5-28(21(13-20)15-36)48-29-7-8-44(16-25(29)35)32(46)27-4-6-30(45)39-27/h1-3,5,13-14,19,23,25,27,29H,4,6-12,16-18H2,(H,39,45)(H,37,38,40,41)/t25-,27?,29+/m1/s1","MDJWRQAHXDUJLV-SMCKVRKBSA-N",null,1000]
["D15202",15454,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM375711","F[C@@H]1CN(Cc2nc(=O)[nH][nH]2)CC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C31H32FN11O3/c32-25-15-41(16-28-37-31(44)40-39-28)8-7-27(25)46-26-6-1-20(13-21(26)14-33)29-34-19-35-30(38-29)36-22-2-4-23(5-3-22)42-9-11-43(12-10-42)24-17-45-18-24/h1-6,13,19,24-25,27H,7-12,15-18H2,(H,34,35,36,38)/t25-,27+/m1/s1","YTKXLFPPUZXAFU-VPUSJEBWSA-N",null,27]
["D15203",14924,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278017","F[C@@H]1CNCC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H31FN8O2/c29-24-15-31-8-7-26(24)39-25-6-1-19(13-20(25)14-30)27-32-18-33-28(35-27)34-21-2-4-22(5-3-21)36-9-11-37(12-10-36)23-16-38-17-23/h1-6,13,18,23-24,26,31H,7-12,15-17H2,(H,32,33,34,35)/t24-,26+/m1/s1","LRZNCSJWPRDCJC-RSXGOPAZSA-N",null,8]
["D15204",15853,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278014","F[C@@H]1CNCC[C@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H31FN8O2/c29-24-15-31-8-7-26(24)39-25-6-1-19(13-20(25)14-30)27-32-18-33-28(35-27)34-21-2-4-22(5-3-21)36-9-11-37(12-10-36)23-16-38-17-23/h1-6,13,18,23-24,26,31H,7-12,15-17H2,(H,32,33,34,35)/t24-,26-/m1/s1","LRZNCSJWPRDCJC-AOYPEHQESA-N",null,58]
["D15205",14656,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278077","F[C@@H]1COCC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(N3CCN(CC3)C=O)c(F)c2)n1","InChI=1S/C26H25F2N7O3/c27-20-12-19(2-3-22(20)35-8-6-34(16-36)7-9-35)32-26-31-15-30-25(33-26)17-1-4-23(18(11-17)13-29)38-24-5-10-37-14-21(24)28/h1-4,11-12,15-16,21,24H,5-10,14H2,(H,30,31,32,33)/t21-,24+/m1/s1","KOJMDEPTVZYEKV-QPPBQGQZSA-N",null,4]
["D15206",17432,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278076","F[C@@H]1COCC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(N3CCNCC3)c(F)c2)n1","InChI=1S/C25H25F2N7O2/c26-19-12-18(2-3-21(19)34-8-6-29-7-9-34)32-25-31-15-30-24(33-25)16-1-4-22(17(11-16)13-28)36-23-5-10-35-14-20(23)27/h1-4,11-12,15,20,23,29H,5-10,14H2,(H,30,31,32,33)/t20-,23+/m1/s1","LNJJGUCKLGPSCF-OFNKIYASSA-N",null,4000,{"$nulls":4},7]
["D15207",17074,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278075","F[C@@H]1COCC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H30FN7O3/c29-24-17-37-12-7-26(24)39-25-6-1-19(13-20(25)14-30)27-31-18-32-28(34-27)33-21-2-4-22(5-3-21)35-8-10-36(11-9-35)23-15-38-16-23/h1-6,13,18,23-24,26H,7-12,15-17H2,(H,31,32,33,34)/t24-,26+/m1/s1","AMEJUCYAHBHUEG-RSXGOPAZSA-N",null,2000,{"$nulls":4},7]
["D15208",14742,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278183","F[C@@H]1C[C@H](NC1=O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C33H35F2N9O4/c34-25-14-27(40-31(25)45)32(46)44-8-7-29(26(35)16-44)48-28-6-1-20(13-21(28)15-36)30-37-19-38-33(41-30)39-22-2-4-23(5-3-22)42-9-11-43(12-10-42)24-17-47-18-24/h1-6,13,19,24-27,29H,7-12,14,16-18H2,(H,40,45)(H,37,38,39,41)/t25-,26-,27+,29+/m1/s1","OPGSVVRUCFLAEU-DIBLIPFTSA-N",null,5]
["D15209",15269,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397727","F[C@@H]1OCCN1C(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C19H18FN7O3/c20-19-27(3-4-30-19)17(28)10-24-13-5-12(7-22-14(13)6-21)15-8-25-16(9-23-15)26-18(29)11-1-2-11/h5,7-9,11,19,24H,1-4,10H2,(H,25,26,29)/t19-/m0/s1","LDMSZLXWNHDFRB-IBGZPJMESA-N",null,15.8]
["D15210",14999,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277979","F[C@H]1CCN(C1)c1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C27H29FN8O/c28-21-7-8-36(15-21)25-6-1-19(13-20(25)14-29)26-30-18-31-27(33-26)32-22-2-4-23(5-3-22)34-9-11-35(12-10-34)24-16-37-17-24/h1-6,13,18,21,24H,7-12,15-17H2,(H,30,31,32,33)/t21-/m0/s1","VIWQXWZKZHSYLR-NRFANRHFSA-N",null,1]
["D15211",15232,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246094","F[C@H]1CCN(C1)c1ccc(nc1C#N)-c1ccnc(Nc2ccc(CN3CCNC(=O)C3)nc2)n1","InChI=1S/C24H24FN9O/c25-16-6-9-34(13-16)22-4-3-19(31-21(22)11-26)20-5-7-28-24(32-20)30-17-1-2-18(29-12-17)14-33-10-8-27-23(35)15-33/h1-5,7,12,16H,6,8-10,13-15H2,(H,27,35)(H,28,30,32)/t16-/m0/s1","XRQJOYVRPVUISO-INIZCTEOSA-N",null,"<15",{"$nulls":4},7.5]
["D15212",15227,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246077","F[C@H]1CCN(C1)c1ccc(nc1C#N)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1","InChI=1S/C24H25FN8O/c25-17-6-8-33(15-17)23-4-3-20(30-22(23)13-26)21-5-7-27-24(31-21)29-18-1-2-19(28-14-18)16-32-9-11-34-12-10-32/h1-5,7,14,17H,6,8-12,15-16H2,(H,27,29,31)/t17-/m0/s1","OGQHJCCFRJVFIW-KRWDZBQOSA-N",null,"<15",{"$nulls":4},7.5]
["D15213",15226,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246076","F[C@H]1CCN(C1)c1ccc(nc1C#N)-c1ccnc(Nc2ccc(NC(=O)CN3CCOCC3)nc2)n1","InChI=1S/C25H26FN9O2/c26-17-6-8-35(15-17)22-3-2-19(31-21(22)13-27)20-5-7-28-25(32-20)30-18-1-4-23(29-14-18)33-24(36)16-34-9-11-37-12-10-34/h1-5,7,14,17H,6,8-12,15-16H2,(H,28,30,32)(H,29,33,36)/t17-/m0/s1","LKEHRNZWLGIXLL-KRWDZBQOSA-N",null,"<15",{"$nulls":4},7.5]
["D15214",15230,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246087","F[C@H]1CCN(C1)c1ccc(nc1C#N)-c1nc(Nc2ccc(cc2)N2CCOCC2)ncc1F","InChI=1S/C24H23F2N7O/c25-16-7-8-33(15-16)22-6-5-20(30-21(22)13-27)23-19(26)14-28-24(31-23)29-17-1-3-18(4-2-17)32-9-11-34-12-10-32/h1-6,14,16H,7-12,15H2,(H,28,29,31)/t16-/m0/s1","FUIKYOJDTFVWDZ-INIZCTEOSA-N",null,"<15",{"$nulls":4},7.5]
["D15215",16030,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246006","F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(CN3CCCOCC3)nc2)n1","InChI=1S/C25H27FN8O/c26-20-5-8-34(16-20)24-18(13-27)12-19(14-30-24)23-4-6-28-25(32-23)31-21-2-3-22(29-15-21)17-33-7-1-10-35-11-9-33/h2-4,6,12,14-15,20H,1,5,7-11,16-17H2,(H,28,31,32)/t20-/m0/s1","ITFLQUBZTWGQPN-FQEVSTJZSA-N",null,"<100",{"$nulls":4},7.5]
["D15216",15238,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246005","F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(CN3CCNC(=O)C3)nc2)n1","InChI=1S/C24H24FN9O/c25-18-4-7-34(13-18)23-16(10-26)9-17(11-30-23)21-3-5-28-24(32-21)31-19-1-2-20(29-12-19)14-33-8-6-27-22(35)15-33/h1-3,5,9,11-12,18H,4,6-8,13-15H2,(H,27,35)(H,28,31,32)/t18-/m0/s1","WRUVDTHWKQQJJZ-SFHVURJKSA-N",null,"<15",{"$nulls":4},7.5]
["D15217",15215,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245958","F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(CN3CCOCC3)cc2)n1","InChI=1S/C25H26FN7O/c26-21-6-8-33(17-21)24-19(14-27)13-20(15-29-24)23-5-7-28-25(31-23)30-22-3-1-18(2-4-22)16-32-9-11-34-12-10-32/h1-5,7,13,15,21H,6,8-12,16-17H2,(H,28,30,31)/t21-/m0/s1","AWVBPIKRRBIMPO-NRFANRHFSA-N",null,"<15",{"$nulls":4},7.5]
["D15218",15219,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245971","F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1","InChI=1S/C24H25FN8O/c25-19-4-6-33(15-19)23-17(12-26)11-18(13-29-23)22-3-5-27-24(31-22)30-20-1-2-21(28-14-20)16-32-7-9-34-10-8-32/h1-3,5,11,13-14,19H,4,6-10,15-16H2,(H,27,30,31)/t19-/m0/s1","KUIBGDSFFODEPB-IBGZPJMESA-N",null,"<15",{"$nulls":4},7.5]
["D15219",16022,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245947","F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(NC(=O)C3CC3)nc2)n1","InChI=1S/C23H21FN8O/c24-17-6-8-32(13-17)21-15(10-25)9-16(11-28-21)19-5-7-26-23(30-19)29-18-3-4-20(27-12-18)31-22(33)14-1-2-14/h3-5,7,9,11-12,14,17H,1-2,6,8,13H2,(H,26,29,30)(H,27,31,33)/t17-/m0/s1","IUHOLYWUUONWNL-KRWDZBQOSA-N",null,"<100",{"$nulls":4},7.5]
["D15220",16053,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245968","F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(NC(=O)C3CCCN3)nc2)n1","InChI=1S/C24H24FN9O/c25-17-6-9-34(14-17)22-15(11-26)10-16(12-30-22)19-5-8-28-24(32-19)31-18-3-4-21(29-13-18)33-23(35)20-2-1-7-27-20/h3-5,8,10,12-13,17,20,27H,1-2,6-7,9,14H2,(H,28,31,32)(H,29,33,35)/t17-,20?/m0/s1","GPBCQCOFJLIFNX-DIMJTDRSSA-N",null,"<100",{"$nulls":4},7.5]
["D15221",15505,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245969","F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(NC(=O)CN3CCCC3)nc2)n1","InChI=1S/C25H26FN9O/c26-19-6-10-35(15-19)24-17(12-27)11-18(13-30-24)21-5-7-28-25(32-21)31-20-3-4-22(29-14-20)33-23(36)16-34-8-1-2-9-34/h3-5,7,11,13-14,19H,1-2,6,8-10,15-16H2,(H,28,31,32)(H,29,33,36)/t19-/m0/s1","JMPORDHLIUIPQP-IBGZPJMESA-N",null,"<30",{"$nulls":4},7.5]
["D15222",15502,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245959","F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(NC(=O)CN3CCNCC3)nc2)n1","InChI=1S/C25H27FN10O/c26-19-4-8-36(15-19)24-17(12-27)11-18(13-31-24)21-3-5-29-25(33-21)32-20-1-2-22(30-14-20)34-23(37)16-35-9-6-28-7-10-35/h1-3,5,11,13-14,19,28H,4,6-10,15-16H2,(H,29,32,33)(H,30,34,37)/t19-/m0/s1","BSILWBIMJYOIMZ-IBGZPJMESA-N",null,"<30",{"$nulls":4},7.5]
["D15223",15481,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245945","F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(NC(=O)CN3CCOCC3)nc2)n1","InChI=1S/C25H26FN9O2/c26-19-4-6-35(15-19)24-17(12-27)11-18(13-30-24)21-3-5-28-25(32-21)31-20-1-2-22(29-14-20)33-23(36)16-34-7-9-37-10-8-34/h1-3,5,11,13-14,19H,4,6-10,15-16H2,(H,28,31,32)(H,29,33,36)/t19-/m0/s1","PMLYJXUBGAYNLT-IBGZPJMESA-N",null,"<30",{"$nulls":4},7.5]
["D15224",15631,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245938","F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(NC3CCNCC3)nc2)n1","InChI=1S/C24H26FN9/c25-18-6-10-34(15-18)23-16(12-26)11-17(13-30-23)21-5-9-28-24(33-21)32-20-1-2-22(29-14-20)31-19-3-7-27-8-4-19/h1-2,5,9,11,13-14,18-19,27H,3-4,6-8,10,15H2,(H,29,31)(H,28,32,33)/t18-/m0/s1","BUWRIBSQVSMQNZ-SFHVURJKSA-N",null,"<30",{"$nulls":4},7.5]
["D15225",15506,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245970","F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(NCCN3CCOCC3)nc2)n1","InChI=1S/C25H28FN9O/c26-20-4-7-35(17-20)24-18(14-27)13-19(15-31-24)22-3-5-29-25(33-22)32-21-1-2-23(30-16-21)28-6-8-34-9-11-36-12-10-34/h1-3,5,13,15-16,20H,4,6-12,17H2,(H,28,30)(H,29,32,33)/t20-/m0/s1","QUOHCAQPSXMDMJ-FQEVSTJZSA-N",null,"<30",{"$nulls":4},7.5]
["D15226",15498,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245953","F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(nc2)N2CCNCC2)n1","InChI=1S/C23H24FN9/c24-18-4-8-33(15-18)22-16(12-25)11-17(13-29-22)20-3-5-27-23(31-20)30-19-1-2-21(28-14-19)32-9-6-26-7-10-32/h1-3,5,11,13-14,18,26H,4,6-10,15H2,(H,27,30,31)/t18-/m0/s1","NYDFWYRRJFFSMI-SFHVURJKSA-N",null,"<30",{"$nulls":4},7.5]
["D15227",15240,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246029","F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc3CNCc3c2)n1","InChI=1S/C22H20FN7/c23-18-4-6-30(13-18)21-15(9-24)7-17(12-27-21)20-3-5-26-22(29-20)28-19-2-1-14-10-25-11-16(14)8-19/h1-3,5,7-8,12,18,25H,4,6,10-11,13H2,(H,26,28,29)/t18-/m0/s1","KTNKDCBLBAGWEI-SFHVURJKSA-N",null,"<15",{"$nulls":4},7.5]
["D15228",16889,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245976","F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2cccc(=O)[nH]2)n1",{"$nulls":3},"<1000",{"$nulls":4},7.5]
["D15229",15626,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245932","F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2cccc(c2)C(=O)N2CCNCC2)n1","InChI=1S/C25H25FN8O/c26-20-5-9-34(16-20)23-18(14-27)12-19(15-30-23)22-4-6-29-25(32-22)31-21-3-1-2-17(13-21)24(35)33-10-7-28-8-11-33/h1-4,6,12-13,15,20,28H,5,7-11,16H2,(H,29,31,32)/t20-/m0/s1","QERHLNOGCQBUGB-FQEVSTJZSA-N",null,"<30",{"$nulls":4},7.5]
["D15230",15632,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245939","F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2cccc(c2)C(=O)NC2CCNCC2)n1","InChI=1S/C26H27FN8O/c27-20-7-11-35(16-20)24-18(14-28)12-19(15-31-24)23-6-10-30-26(34-23)33-22-3-1-2-17(13-22)25(36)32-21-4-8-29-9-5-21/h1-3,6,10,12-13,15,20-21,29H,4-5,7-9,11,16H2,(H,32,36)(H,30,33,34)/t20-/m0/s1","MROFQFMOZXUUGU-FQEVSTJZSA-N",null,"<30",{"$nulls":4},7.5]
["D15231",16888,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245967","F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccn[nH]2)n1",{"$nulls":3},"<1000",{"$nulls":4},7.5]
["D15232",15237,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246002","F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccnc(CN3CCOCC3)c2)n1","InChI=1S/C24H25FN8O/c25-19-3-6-33(15-19)23-17(13-26)11-18(14-29-23)22-2-5-28-24(31-22)30-20-1-4-27-21(12-20)16-32-7-9-34-10-8-32/h1-2,4-5,11-12,14,19H,3,6-10,15-16H2,(H,27,28,30,31)/t19-/m0/s1","UYZYBWLBXPPMSC-IBGZPJMESA-N",null,"<15",{"$nulls":4},7.5]
["D15233",15504,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245962","F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccnc(NC(=O)CN3CCOCC3)c2)n1","InChI=1S/C25H26FN9O2/c26-19-3-6-35(15-19)24-17(13-27)11-18(14-30-24)21-2-5-29-25(32-21)31-20-1-4-28-22(12-20)33-23(36)16-34-7-9-37-10-8-34/h1-2,4-5,11-12,14,19H,3,6-10,15-16H2,(H2,28,29,31,32,33,36)/t19-/m0/s1","INNNCZDYXKUHLV-IBGZPJMESA-N",null,"<30",{"$nulls":4},7.5]
["D15234",15217,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245964","F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccnc(c2)N2CCOCC2)n1","InChI=1S/C23H23FN8O/c24-18-3-6-32(15-18)22-16(13-25)11-17(14-28-22)20-2-5-27-23(30-20)29-19-1-4-26-21(12-19)31-7-9-33-10-8-31/h1-2,4-5,11-12,14,18H,3,6-10,15H2,(H,26,27,29,30)/t18-/m0/s1","NYMUSZKMHTWPPV-SFHVURJKSA-N",null,"<15",{"$nulls":4},7.5]
["D15235",15218,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245966","F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2cn[nH]c2)n1",{"$nulls":3},"<15",{"$nulls":4},7.5]
["D15236",16023,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245948","F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2cnc(nc2)N2CCOCC2)n1","InChI=1S/C22H22FN9O/c23-17-2-4-32(14-17)20-15(10-24)9-16(11-26-20)19-1-3-25-21(30-19)29-18-12-27-22(28-13-18)31-5-7-33-8-6-31/h1,3,9,11-13,17H,2,4-8,14H2,(H,25,29,30)/t17-/m0/s1","WNXFWGQRXDTJEX-KRWDZBQOSA-N",null,"<100",{"$nulls":4},7.5]
["D15237",16034,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246013","F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2cnc3CNCc3c2)n1","InChI=1S/C21H19FN8/c22-16-2-4-30(12-16)20-13(7-23)5-14(9-27-20)18-1-3-25-21(29-18)28-17-6-15-8-24-11-19(15)26-10-17/h1,3,5-6,9-10,16,24H,2,4,8,11-12H2,(H,25,28,29)/t16-/m0/s1","ZODAGARETRLNST-INIZCTEOSA-N",null,"<100",{"$nulls":4},7.5]
["D15238",15488,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246003","F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2cncc(CN3CCOCC3)c2)n1","InChI=1S/C24H25FN8O/c25-20-2-4-33(16-20)23-18(11-26)10-19(13-29-23)22-1-3-28-24(31-22)30-21-9-17(12-27-14-21)15-32-5-7-34-8-6-32/h1,3,9-10,12-14,20H,2,4-8,15-16H2,(H,28,30,31)/t20-/m0/s1","LFCUUOATVOZUOR-FQEVSTJZSA-N",null,"<30",{"$nulls":4},7.5]
["D15239",15491,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246012","F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2cncc(NC(=O)CN3CCOCC3)c2)n1","InChI=1S/C25H26FN9O2/c26-19-2-4-35(15-19)24-17(11-27)9-18(12-30-24)22-1-3-29-25(33-22)32-21-10-20(13-28-14-21)31-23(36)16-34-5-7-37-8-6-34/h1,3,9-10,12-14,19H,2,4-8,15-16H2,(H,31,36)(H,29,32,33)/t19-/m0/s1","SXQJAGMFERVVSR-IBGZPJMESA-N",null,"<30",{"$nulls":4},7.5]
["D15240",15611,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246048","F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2cnn(CCN3CCOCC3)c2)n1","InChI=1S/C23H26FN9O/c24-19-2-4-32(15-19)22-17(12-25)11-18(13-27-22)21-1-3-26-23(30-21)29-20-14-28-33(16-20)6-5-31-7-9-34-10-8-31/h1,3,11,13-14,16,19H,2,4-10,15H2,(H,26,29,30)/t19-/m0/s1","KFUBANNOQZGHJW-IBGZPJMESA-N",null,"<30",{"$nulls":4},7.5]
["D15241",15216,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245961","F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2cnn(c2)C2CCOCC2)n1","InChI=1S/C22H23FN8O/c23-17-2-6-30(13-17)21-15(10-24)9-16(11-26-21)20-1-5-25-22(29-20)28-18-12-27-31(14-18)19-3-7-32-8-4-19/h1,5,9,11-12,14,17,19H,2-4,6-8,13H2,(H,25,28,29)/t17-/m0/s1","FKUZIUAJXNZFOK-KRWDZBQOSA-N",null,"<15",{"$nulls":4},7.5]
["D15242",15235,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245992","F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1nc(Nc2ccc(CN3CCOCC3)nc2)ncc1F","InChI=1S/C24H24F2N8O/c25-18-3-4-34(14-18)23-16(10-27)9-17(11-29-23)22-21(26)13-30-24(32-22)31-19-1-2-20(28-12-19)15-33-5-7-35-8-6-33/h1-2,9,11-13,18H,3-8,14-15H2,(H,30,31,32)/t18-/m0/s1","JIADDWOUIJRBQQ-SFHVURJKSA-N",null,"<15",{"$nulls":4},7.5]
["D15243",16025,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245991","F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1nc(Nc2ccc(NC(=O)CN3CCOCC3)nc2)ncc1F","InChI=1S/C25H25F2N9O2/c26-18-3-4-36(14-18)24-16(10-28)9-17(11-30-24)23-20(27)13-31-25(34-23)32-19-1-2-21(29-12-19)33-22(37)15-35-5-7-38-8-6-35/h1-2,9,11-13,18H,3-8,14-15H2,(H,29,33,37)(H,31,32,34)/t18-/m0/s1","VBFOKUBNKDMADD-SFHVURJKSA-N",null,"<100",{"$nulls":4},7.5]
["D15244",15485,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245994","F[C@H]1CCN(C1)c1ncc(cc1C#N)-c1nc(Nc2ccnc(NC(=O)CN3CCOCC3)c2)ncc1F","InChI=1S/C25H25F2N9O2/c26-18-2-4-36(14-18)24-16(11-28)9-17(12-30-24)23-20(27)13-31-25(34-23)32-19-1-3-29-21(10-19)33-22(37)15-35-5-7-38-8-6-35/h1,3,9-10,12-13,18H,2,4-8,14-15H2,(H2,29,31,32,33,34,37)/t18-/m0/s1","TYHRIQVALRVJQX-SFHVURJKSA-N",null,"<30",{"$nulls":4},7.5]
["D15245",15617,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246079","F[C@H]1CCN(CC(=O)Nc2ccc(Nc3nccc(n3)-c3ccc(N4CC[C@H](F)C4)c(n3)C#N)cn2)C1","InChI=1S/C25H25F2N9O/c26-16-6-9-35(13-16)15-24(37)34-23-4-1-18(12-30-23)31-25-29-8-5-20(33-25)19-2-3-22(21(11-28)32-19)36-10-7-17(27)14-36/h1-5,8,12,16-17H,6-7,9-10,13-15H2,(H,29,31,33)(H,30,34,37)/t16-,17-/m0/s1","BXKFZGXZXRIOAO-IRXDYDNUSA-N",null,"<30",{"$nulls":4},7.5]
["D15246",16054,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245972","F[C@H]1CCN(CC(=O)Nc2ccc(Nc3nccc(n3)-c3cnc(N4CC[C@H](F)C4)c(c3)C#N)cn2)C1","InChI=1S/C25H25F2N9O/c26-18-4-7-35(13-18)15-23(37)34-22-2-1-20(12-30-22)32-25-29-6-3-21(33-25)17-9-16(10-28)24(31-11-17)36-8-5-19(27)14-36/h1-3,6,9,11-12,18-19H,4-5,7-8,13-15H2,(H,29,32,33)(H,30,34,37)/t18-,19-/m0/s1","DZIXGUZDRHLHQY-OALUTQOASA-N",null,"<100",{"$nulls":4},7.5]
["D15247",15619,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246081","F[C@H]1CCN(CCOc2ccc(Nc3nccc(n3)-c3ccc(N4CC[C@H](F)C4)c(n3)C#N)cn2)C1","InChI=1S/C25H26F2N8O/c26-17-6-9-34(15-17)11-12-36-24-4-1-19(14-30-24)31-25-29-8-5-21(33-25)20-2-3-23(22(13-28)32-20)35-10-7-18(27)16-35/h1-5,8,14,17-18H,6-7,9-12,15-16H2,(H,29,31,33)/t17-,18-/m0/s1","HUGFVXRYAGZRDT-ROUUACIJSA-N",null,"<30",{"$nulls":4},7.5]
["D15248",16055,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245973","F[C@H]1CCN(CCOc2ccc(Nc3nccc(n3)-c3cnc(N4CC[C@H](F)C4)c(c3)C#N)cn2)C1","InChI=1S/C25H26F2N8O/c26-19-4-7-34(15-19)9-10-36-23-2-1-21(14-30-23)32-25-29-6-3-22(33-25)18-11-17(12-28)24(31-13-18)35-8-5-20(27)16-35/h1-3,6,11,13-14,19-20H,4-5,7-10,15-16H2,(H,29,32,33)/t19-,20-/m0/s1","PRZNLTVMMUQQBI-PMACEKPBSA-N",null,"<100",{"$nulls":4},7.5]
["D15249",15229,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246084","F[C@H]1CCN(Cc2ccc(Nc3nccc(n3)-c3ccc(N4CC[C@H](F)C4)c(n3)C#N)cn2)C1","InChI=1S/C24H24F2N8/c25-16-6-9-33(13-16)15-19-2-1-18(12-29-19)30-24-28-8-5-21(32-24)20-3-4-23(22(11-27)31-20)34-10-7-17(26)14-34/h1-5,8,12,16-17H,6-7,9-10,13-15H2,(H,28,30,32)/t16-,17-/m0/s1","VHYKNUFKIKCHRK-IRXDYDNUSA-N",null,"<15",{"$nulls":4},7.5]
["D15250",15509,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245983","F[C@H]1CCN(Cc2ccc(Nc3nccc(n3)-c3cnc(N4CC[C@H](F)C4)c(c3)C#N)cn2)C1","InChI=1S/C24H24F2N8/c25-18-4-7-33(13-18)15-21-2-1-20(12-29-21)31-24-28-6-3-22(32-24)17-9-16(10-27)23(30-11-17)34-8-5-19(26)14-34/h1-3,6,9,11-12,18-19H,4-5,7-8,13-15H2,(H,28,31,32)/t18-,19-/m0/s1","ADHUWZBZAZXCOH-OALUTQOASA-N",null,"<30",{"$nulls":4},7.5]
["D15251",16383,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397732","F[C@H]1COCCN1C(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C20H20FN7O3/c21-17-11-31-4-3-28(17)19(29)10-25-14-5-13(7-23-15(14)6-22)16-8-26-18(9-24-16)27-20(30)12-1-2-12/h5,7-9,12,17,25H,1-4,10-11H2,(H,26,27,30)/t17-/m1/s1","OAJYUFFGZZHXJC-QGZVFWFLSA-N",null,200]
["D15252",17322,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278184","F[C@H]1C[C@H](NC1=O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C33H35F2N9O4/c34-25-14-27(40-31(25)45)32(46)44-8-7-29(26(35)16-44)48-28-6-1-20(13-21(28)15-36)30-37-19-38-33(41-30)39-22-2-4-23(5-3-22)42-9-11-43(12-10-42)24-17-47-18-24/h1-6,13,19,24-27,29H,7-12,14,16-18H2,(H,40,45)(H,37,38,39,41)/t25-,26+,27-,29-/m0/s1","OPGSVVRUCFLAEU-UMNYJUJISA-N",null,3000,{"$nulls":4},7]
["D15253",16759,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397726","F[C@H]1OCCN1C(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C19H18FN7O3/c20-19-27(3-4-30-19)17(28)10-24-13-5-12(7-22-14(13)6-21)15-8-25-16(9-23-15)26-18(29)11-1-2-11/h5,7-9,11,19,24H,1-4,10H2,(H,25,26,29)/t19-/m1/s1","LDMSZLXWNHDFRB-LJQANCHMSA-N",null,631]
["D15254",12440,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42954","Fc1c(F)c(F)c(C(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)c(F)c1F","InChI=1S/C19H8F5N3O2/c20-13-12(14(21)16(23)17(24)15(13)22)18(28)26-9-1-2-11-10(7-9)27-19(29-11)8-3-5-25-6-4-8/h1-7H,(H,26,28)","PFCXKPZEFDPHKO-UHFFFAOYSA-N",{"$nulls":3},28850]
["D15255",31289,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1","Mus musculus","BDBM50556940","Fc1c(F)c(F)c(c(F)c1F)S(=O)(=O)N1CC[C@@H]1C(=O)N(Cc1ccc(cn1)C1CCCCC1)c1ccc2C(=O)NC(=O)c2c1","InChI=1S/C30H25F5N4O5S/c31-22-23(32)25(34)27(26(35)24(22)33)45(43,44)39-11-10-21(39)30(42)38(18-8-9-19-20(12-18)29(41)37-28(19)40)14-17-7-6-16(13-36-17)15-4-2-1-3-5-15/h6-9,12-13,15,21H,1-5,10-11,14H2,(H,37,40,41)/t21-/m1/s1","DFAZGBBGEGHQMP-OAQYLSRUSA-N",null,">20000"]
["D15256",14948,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478916","Fc1c(NC2CC2)ncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C28H30FN9O/c29-24-25(31-16-32-26(24)33-20-4-5-20)19-3-6-21-22(14-19)35-28(34-21)36-23-13-17(7-8-30-23)15-37-9-11-38(12-10-37)27(39)18-1-2-18/h3,6-8,13-14,16,18,20H,1-2,4-5,9-12,15H2,(H,31,32,33)(H2,30,34,35,36)","NRBJILZYPYVKIA-UHFFFAOYSA-N",null,8.3]
["D15257",15328,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478915","Fc1c(NC2CC2)ncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C27H27F4N9O/c28-23-24(33-15-34-25(23)35-18-2-3-18)17-1-4-19-20(12-17)37-26(36-19)38-21-11-16(5-6-32-21)14-39-7-9-40(10-8-39)22(41)13-27(29,30)31/h1,4-6,11-12,15,18H,2-3,7-10,13-14H2,(H,33,34,35)(H2,32,36,37,38)","DOYQSIRFMUOUGM-UHFFFAOYSA-N",null,18.3]
["D15258",15799,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478921","Fc1c(NC2CCC2)ncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C29H32FN9O/c30-25-26(32-17-33-27(25)34-21-2-1-3-21)20-6-7-22-23(15-20)36-29(35-22)37-24-14-18(8-9-31-24)16-38-10-12-39(13-11-38)28(40)19-4-5-19/h6-9,14-15,17,19,21H,1-5,10-13,16H2,(H,32,33,34)(H2,31,35,36,37)","HCXBKEAOMWCMAN-UHFFFAOYSA-N",null,49.4]
["D15259",15781,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478920","Fc1c(NC2CCC2)ncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C28H29F4N9O/c29-24-25(34-16-35-26(24)36-19-2-1-3-19)18-4-5-20-21(13-18)38-27(37-20)39-22-12-17(6-7-33-22)15-40-8-10-41(11-9-40)23(42)14-28(30,31)32/h4-7,12-13,16,19H,1-3,8-11,14-15H2,(H,34,35,36)(H2,33,37,38,39)","YOFRXZGOTICFAE-UHFFFAOYSA-N",null,45.9]
["D15260",15678,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478924","Fc1c(NCC2CC2)ncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C29H32FN9O/c30-25-26(33-17-34-27(25)32-15-18-1-2-18)21-5-6-22-23(14-21)36-29(35-22)37-24-13-19(7-8-31-24)16-38-9-11-39(12-10-38)28(40)20-3-4-20/h5-8,13-14,17-18,20H,1-4,9-12,15-16H2,(H,32,33,34)(H2,31,35,36,37)","UJQHDXZLMHLCDI-UHFFFAOYSA-N",null,34.1]
["D15261",15673,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478923","Fc1c(NCC2CC2)ncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C28H29F4N9O/c29-24-25(35-16-36-26(24)34-14-17-1-2-17)19-3-4-20-21(12-19)38-27(37-20)39-22-11-18(5-6-33-22)15-40-7-9-41(10-8-40)23(42)13-28(30,31)32/h3-6,11-12,16-17H,1-2,7-10,13-15H2,(H,34,35,36)(H2,33,37,38,39)","CWYZCYFYSOMXCS-UHFFFAOYSA-N",null,33.7]
["D15262",15993,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478914","Fc1c(NCC2CCC2)ncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C30H34FN9O/c31-26-27(34-18-35-28(26)33-16-19-2-1-3-19)22-6-7-23-24(15-22)37-30(36-23)38-25-14-20(8-9-32-25)17-39-10-12-40(13-11-39)29(41)21-4-5-21/h6-9,14-15,18-19,21H,1-5,10-13,16-17H2,(H,33,34,35)(H2,32,36,37,38)","KCHQEELMQVPLBS-UHFFFAOYSA-N",null,94.8]
["D15263",15996,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478913","Fc1c(NCC2CCC2)ncnc1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C29H31F4N9O/c30-25-26(36-17-37-27(25)35-15-18-2-1-3-18)20-4-5-21-22(13-20)39-28(38-21)40-23-12-19(6-7-34-23)16-41-8-10-42(11-9-41)24(43)14-29(31,32)33/h4-7,12-13,17-18H,1-3,8-11,14-16H2,(H,35,36,37)(H2,34,38,39,40)","QMNSHNQUEODIPZ-UHFFFAOYSA-N",null,95.3]
["D15264",4205,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67088","Fc1cc(Br)ccc1OCC(=O)NCC1(CCCCC1)N1CCCCC1","InChI=1S/C20H28BrFN2O2/c21-16-7-8-18(17(22)13-16)26-14-19(25)23-15-20(9-3-1-4-10-20)24-11-5-2-6-12-24/h7-8,13H,1-6,9-12,14-15H2,(H,23,25)","IOJCFYSNEILYSB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15265",3626,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50526873","Fc1cc(NC(=O)Nc2ccc(Cl)cn2)cc(c1)C#N","InChI=1S/C13H8ClFN4O/c14-9-1-2-12(17-7-9)19-13(20)18-11-4-8(6-16)3-10(15)5-11/h1-5,7H,(H2,17,18,19,20)","KDANLHLWAYNCMV-UHFFFAOYSA-N",null,">30000"]
["D15266",17967,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570041","Fc1cc(NC2=NCC(F)(F)CN2)cc(F)c1Oc1ccnc2[nH]cc(Cl)c12","InChI=1S/C17H12ClF4N5O/c18-9-5-24-15-13(9)12(1-2-23-15)28-14-10(19)3-8(4-11(14)20)27-16-25-6-17(21,22)7-26-16/h1-5H,6-7H2,(H,23,24)(H2,25,26,27)","DTTLGPYQVWTYMR-UHFFFAOYSA-N",null,">20000"]
["D15267",17846,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569955","Fc1cc(NC2=NCC(F)(F)CO2)cc(F)c1Oc1ccnc2[nH]cc(Cl)c12","InChI=1S/C17H11ClF4N4O2/c18-9-5-24-15-13(9)12(1-2-23-15)28-14-10(19)3-8(4-11(14)20)26-16-25-6-17(21,22)7-27-16/h1-5H,6-7H2,(H,23,24)(H,25,26)","MLQMNMRKMDXMGQ-UHFFFAOYSA-N",null,">20000"]
["D15268",17986,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569971","Fc1cc(NC2=NCC(F)(F)CO2)cc(F)c1Oc1ccnc2[nH]cc(c12)C(F)(F)F","InChI=1S/C18H11F7N4O2/c19-10-3-8(29-16-28-6-17(21,22)7-30-16)4-11(20)14(10)31-12-1-2-26-15-13(12)9(5-27-15)18(23,24)25/h1-5H,6-7H2,(H,26,27)(H,28,29)","PVYHTPBSFHXPLB-UHFFFAOYSA-N",null,">20000"]
["D15269",17970,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570044","Fc1cc(NC2=NCC3(CC3)CN2)cc(F)c1Oc1ccnc2[nH]cc(Cl)c12","InChI=1S/C19H16ClF2N5O/c20-11-7-24-17-15(11)14(1-4-23-17)28-16-12(21)5-10(6-13(16)22)27-18-25-8-19(2-3-19)9-26-18/h1,4-7H,2-3,8-9H2,(H,23,24)(H2,25,26,27)","NCRBMIUAIUDRPU-UHFFFAOYSA-N",null,">20000"]
["D15270",17973,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570047","Fc1cc(NC2=NCC3(CC3)CN2)cc(F)c1Oc1ccnc2[nH]cc(c12)C(F)(F)F","InChI=1S/C20H16F5N5O/c21-12-5-10(30-18-28-8-19(2-3-19)9-29-18)6-13(22)16(12)31-14-1-4-26-17-15(14)11(7-27-17)20(23,24)25/h1,4-7H,2-3,8-9H2,(H,26,27)(H2,28,29,30)","ASLVLWMAWVOBDW-UHFFFAOYSA-N",null,">20000"]
["D15271",17062,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569951","Fc1cc(NC2=NCC3(CC3)CO2)cc(F)c1Oc1ccnc2[nH]cc(Cl)c12","InChI=1S/C19H15ClF2N4O2/c20-11-7-24-17-15(11)14(1-4-23-17)28-16-12(21)5-10(6-13(16)22)26-18-25-8-19(2-3-19)9-27-18/h1,4-7H,2-3,8-9H2,(H,23,24)(H,25,26)","YSDKELLAHCDEHC-UHFFFAOYSA-N",null,1900]
["D15272",17860,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569969","Fc1cc(NC2=NCC3(CC3)CO2)cc(F)c1Oc1ccnc2[nH]cc(c12)C(F)(F)F","InChI=1S/C20H15F5N4O2/c21-12-5-10(29-18-28-8-19(2-3-19)9-30-18)6-13(22)16(12)31-14-1-4-26-17-15(14)11(7-27-17)20(23,24)25/h1,4-7H,2-3,8-9H2,(H,26,27)(H,28,29)","OHDMHNPEOKKIMV-UHFFFAOYSA-N",null,">20000"]
["D15273",16900,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569952","Fc1cc(NC2=NCC3(CCC3)CO2)cc(F)c1Oc1ccnc2[nH]cc(Cl)c12","InChI=1S/C20H17ClF2N4O2/c21-12-8-25-18-16(12)15(2-5-24-18)29-17-13(22)6-11(7-14(17)23)27-19-26-9-20(10-28-19)3-1-4-20/h2,5-8H,1,3-4,9-10H2,(H,24,25)(H,26,27)","WQOFBWHSUBDDDF-UHFFFAOYSA-N",null,1000]
["D15274",17987,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569972","Fc1cc(NC2=NCC3(CCC3)CO2)cc(F)c1Oc1ccnc2[nH]cc(c12)C(F)(F)F","InChI=1S/C21H17F5N4O2/c22-13-6-11(30-19-29-9-20(10-31-19)3-1-4-20)7-14(23)17(13)32-15-2-5-27-18-16(15)12(8-28-18)21(24,25)26/h2,5-8H,1,3-4,9-10H2,(H,27,28)(H,29,30)","GRULZTPTLKWJRP-UHFFFAOYSA-N",null,">20000"]
["D15275",18009,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569994","Fc1cc(NC2=NCC3(CCC3)CS2)cc(F)c1Oc1ccnc2[nH]cc(Cl)c12","InChI=1S/C20H17ClF2N4OS/c21-12-8-25-18-16(12)15(2-5-24-18)28-17-13(22)6-11(7-14(17)23)27-19-26-9-20(10-29-19)3-1-4-20/h2,5-8H,1,3-4,9-10H2,(H,24,25)(H,26,27)","YXTTZNRSVMOKFG-UHFFFAOYSA-N",null,">20000"]
["D15276",17981,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570055","Fc1cc(NC2=NCC3(CCCC3)CO2)cc(F)c1Oc1ccnc2[nH]cc(Cl)c12","InChI=1S/C21H19ClF2N4O2/c22-13-9-26-19-17(13)16(3-6-25-19)30-18-14(23)7-12(8-15(18)24)28-20-27-10-21(11-29-20)4-1-2-5-21/h3,6-9H,1-2,4-5,10-11H2,(H,25,26)(H,27,28)","HFZQEGXUJYGKPG-UHFFFAOYSA-N",null,">20000"]
["D15277",17989,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569974","Fc1cc(NC2=NCC3(CCOCC3)CO2)cc(F)c1Oc1ccnc2[nH]cc(Cl)c12","InChI=1S/C21H19ClF2N4O3/c22-13-9-26-19-17(13)16(1-4-25-19)31-18-14(23)7-12(8-15(18)24)28-20-27-10-21(11-30-20)2-5-29-6-3-21/h1,4,7-9H,2-3,5-6,10-11H2,(H,25,26)(H,27,28)","KVFQHGOVUQVUNX-UHFFFAOYSA-N",null,">20000"]
["D15278",17974,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570048","Fc1cc(NC2=NCCCN2)cc(F)c1Oc1ccnc2[nH]cc(Br)c12","InChI=1S/C17H14BrF2N5O/c18-10-8-24-16-14(10)13(2-5-21-16)26-15-11(19)6-9(7-12(15)20)25-17-22-3-1-4-23-17/h2,5-8H,1,3-4H2,(H,21,24)(H2,22,23,25)","IHSCZUXMJSQREA-UHFFFAOYSA-N",null,">20000"]
["D15279",17919,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570028","Fc1cc(NC2=NCCCN2)cc(F)c1Oc1ccnc2[nH]cc(Cl)c12","InChI=1S/C17H14ClF2N5O/c18-10-8-24-16-14(10)13(2-5-21-16)26-15-11(19)6-9(7-12(15)20)25-17-22-3-1-4-23-17/h2,5-8H,1,3-4H2,(H,21,24)(H2,22,23,25)","KGYAEOMPROQYNL-UHFFFAOYSA-N",null,">20000"]
["D15280",17837,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569946","Fc1cc(NC2=NCCCO2)cc(F)c1Oc1ccnc2[nH]cc(Cl)c12","InChI=1S/C17H13ClF2N4O2/c18-10-8-23-16-14(10)13(2-4-21-16)26-15-11(19)6-9(7-12(15)20)24-17-22-3-1-5-25-17/h2,4,6-8H,1,3,5H2,(H,21,23)(H,22,24)","PWHZQDHEEPMNAW-UHFFFAOYSA-N",null,">20000"]
["D15281",16748,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569968","Fc1cc(NC2=NCCCO2)cc(F)c1Oc1ccnc2[nH]cc(c12)C(F)(F)F","InChI=1S/C18H13F5N4O2/c19-11-6-9(27-17-25-3-1-5-28-17)7-12(20)15(11)29-13-2-4-24-16-14(13)10(8-26-16)18(21,22)23/h2,4,6-8H,1,3,5H2,(H,24,26)(H,25,27)","UQBLESQCFZKKOB-UHFFFAOYSA-N",null,590]
["D15282",17839,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569948","Fc1cc(NC2=NCCCS2)cc(F)c1Oc1ccnc2[nH]cc(Cl)c12","InChI=1S/C17H13ClF2N4OS/c18-10-8-23-16-14(10)13(2-4-21-16)25-15-11(19)6-9(7-12(15)20)24-17-22-3-1-5-26-17/h2,4,6-8H,1,3,5H2,(H,21,23)(H,22,24)","KXQVENCRMUDMJW-UHFFFAOYSA-N",null,">20000"]
["D15283",17911,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570020","Fc1cc(NC2=NCCN2)cc(F)c1Oc1ccnc2[nH]cc(Cl)c12","InChI=1S/C16H12ClF2N5O/c17-9-7-23-15-13(9)12(1-2-20-15)25-14-10(18)5-8(6-11(14)19)24-16-21-3-4-22-16/h1-2,5-7H,3-4H2,(H,20,23)(H2,21,22,24)","OJCHCBYVTNFHKZ-UHFFFAOYSA-N",null,">20000"]
["D15284",17838,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569947","Fc1cc(NC2=NCCO2)cc(F)c1Oc1ccnc2[nH]cc(Cl)c12","InChI=1S/C16H11ClF2N4O2/c17-9-7-22-15-13(9)12(1-2-20-15)25-14-10(18)5-8(6-11(14)19)23-16-21-3-4-24-16/h1-2,5-7H,3-4H2,(H,20,22)(H,21,23)","VPFCZFUKYIOBAC-UHFFFAOYSA-N",null,">20000"]
["D15285",17840,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569949","Fc1cc(NC2=NCCS2)cc(F)c1Oc1ccnc2[nH]cc(Cl)c12","InChI=1S/C16H11ClF2N4OS/c17-9-7-22-15-13(9)12(1-2-20-15)24-14-10(18)5-8(6-11(14)19)23-16-21-3-4-25-16/h1-2,5-7H,3-4H2,(H,20,22)(H,21,23)","WTRGSSOHSWXBLA-UHFFFAOYSA-N",null,">20000"]
["D15286",14495,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277852","Fc1cc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cc(F)c1N1CCN(CC1)C1COC1","InChI=1S/C28H29F2N7O3/c29-23-12-20(13-24(30)26(23)37-7-5-36(6-8-37)21-15-39-16-21)34-28-33-17-32-27(35-28)18-1-2-25(19(11-18)14-31)40-22-3-9-38-10-4-22/h1-2,11-13,17,21-22H,3-10,15-16H2,(H,32,33,34,35)","NFDNSDOXJOOUIY-UHFFFAOYSA-N",null,3]
["D15287",17112,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277805","Fc1cc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C28H30FN7O3/c29-24-14-21(2-3-25(24)36-9-7-35(8-10-36)22-16-38-17-22)33-28-32-18-31-27(34-28)19-1-4-26(20(13-19)15-30)39-23-5-11-37-12-6-23/h1-4,13-14,18,22-23H,5-12,16-17H2,(H,31,32,33,34)","KKHPPSAWPIQQDQ-UHFFFAOYSA-N",null,2000,{"$nulls":4},7]
["D15288",15134,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278046","Fc1cc(Nc2ncnc(n2)-c2ccc(OC3CCS(=O)(=O)CC3)c(c2)C#N)ccc1N1CCN(CC1)C1COC1","InChI=1S/C28H30FN7O4S/c29-24-14-21(2-3-25(24)36-9-7-35(8-10-36)22-16-39-17-22)33-28-32-18-31-27(34-28)19-1-4-26(20(13-19)15-30)40-23-5-11-41(37,38)12-6-23/h1-4,13-14,18,22-23H,5-12,16-17H2,(H,31,32,33,34)","STIJHLIPJPNQJV-UHFFFAOYSA-N",null,12]
["D15289",5061,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50547311","Fc1cc(OC2CCC2)c2ncc(C#N)c(N3CCN(CC3)c3ccccc3F)c2c1","InChI=1S/C24H22F2N4O/c25-17-12-19-23(22(13-17)31-18-4-3-5-18)28-15-16(14-27)24(19)30-10-8-29(9-11-30)21-7-2-1-6-20(21)26/h1-2,6-7,12-13,15,18H,3-5,8-11H2","BCLTVEHZDQGTBC-UHFFFAOYSA-N",{"$nulls":3},">10000"]
["D15290",5066,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50547313","Fc1cc(OC2CCOC2)c2ncc(C#N)c(N3CCN(CC3)c3ccccc3F)c2c1","InChI=1S/C24H22F2N4O2/c25-17-11-19-23(22(12-17)32-18-5-10-31-15-18)28-14-16(13-27)24(19)30-8-6-29(7-9-30)21-4-2-1-3-20(21)26/h1-4,11-12,14,18H,5-10,15H2","RDQBSBOOXVNBMT-UHFFFAOYSA-N",{"$nulls":3},510]
["D15291",5070,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50547315","Fc1cc(OCC2CCOC2)c2ncc(C#N)c(N3CCN(CC3)c3ccccc3F)c2c1","InChI=1S/C25H24F2N4O2/c26-19-11-20-24(23(12-19)33-16-17-5-10-32-15-17)29-14-18(13-28)25(20)31-8-6-30(7-9-31)22-4-2-1-3-21(22)27/h1-4,11-12,14,17H,5-10,15-16H2","KFRMBSSKPGOADA-UHFFFAOYSA-N",{"$nulls":3},650]
["D15292",15322,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278049","Fc1cc(cc(C#N)c1OC1CCS(=O)(=O)CC1)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H30FN7O4S/c29-25-14-19(13-20(15-30)26(25)40-24-5-11-41(37,38)12-6-24)27-31-18-32-28(34-27)33-21-1-3-22(4-2-21)35-7-9-36(10-8-35)23-16-39-17-23/h1-4,13-14,18,23-24H,5-12,16-17H2,(H,31,32,33,34)","KARHITPGXHHMLH-UHFFFAOYSA-N",null,18]
["D15293",15088,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276891","Fc1cc(ccc1N1CCOCC1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C29H27FN4O3/c30-25-16-20(1-3-27(25)34-9-13-36-14-10-34)26-17-24-23(5-8-32-29(24)33-26)19-2-4-28(21(15-19)18-31)37-22-6-11-35-12-7-22/h1-5,8,15-17,22H,6-7,9-14H2,(H,32,33)","BUHBIIPEWPOROL-UHFFFAOYSA-N",null,10.9,{"$nulls":4},7]
["D15294",18299,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276980","Fc1cc(ccc1N1CCOCC1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C28H26FN5O3/c29-23-14-18(1-3-25(23)34-7-11-36-12-8-34)24-15-22-27(31-17-32-28(22)33-24)19-2-4-26(20(13-19)16-30)37-21-5-9-35-10-6-21/h1-4,13-15,17,21H,5-12H2,(H,31,32,33)","CGDQNIWGTMYVJH-UHFFFAOYSA-N",null,2.78]
["D15295",15694,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277052","Fc1cc(ccc1N1CCOCC1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCNCC2)c(c1)C#N","InChI=1S/C27H26FN7O2/c28-21-14-18(1-3-22(21)35-9-11-36-12-10-35)26-33-25-24(31-16-32-27(25)34-26)17-2-4-23(19(13-17)15-29)37-20-5-7-30-8-6-20/h1-4,13-14,16,20,30H,5-12H2,(H,31,32,33,34)","YPWCKOYUDFFQRI-UHFFFAOYSA-N",null,35.8,{"$nulls":4},7]
["D15296",14550,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277050","Fc1cc(ccc1N1CCOCC1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C27H25FN6O3/c28-21-14-18(1-3-22(21)34-7-11-36-12-8-34)26-32-25-24(30-16-31-27(25)33-26)17-2-4-23(19(13-17)15-29)37-20-5-9-35-10-6-20/h1-4,13-14,16,20H,5-12H2,(H,30,31,32,33)","HSBRJCXMRYCUJI-UHFFFAOYSA-N",null,3.33]
["D15297",15354,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478765","Fc1cc(ccn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C26H26FN7O/c27-23-15-20(6-8-28-23)19-3-4-21-22(14-19)31-26(30-21)32-24-13-17(5-7-29-24)16-33-9-11-34(12-10-33)25(35)18-1-2-18/h3-8,13-15,18H,1-2,9-12,16H2,(H2,29,30,31,32)","ZZIYOGRQHCLUPI-UHFFFAOYSA-N",null,20]
["D15298",14775,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478764","Fc1cc(ccn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C25H23F4N7O/c26-21-13-18(4-6-30-21)17-1-2-19-20(12-17)33-24(32-19)34-22-11-16(3-5-31-22)15-35-7-9-36(10-8-35)23(37)14-25(27,28)29/h1-6,11-13H,7-10,14-15H2,(H2,31,32,33,34)","HHWKNESKDRFQCM-UHFFFAOYSA-N",null,5.8]
["D15299",25911,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM50132260","Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F","InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)","GFMMXOIFOQCCGU-UHFFFAOYSA-N",null,null,">10000"]
["D15300",3758,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66373","Fc1ccc(C=CC(=O)NC(=S)Nc2ccccc2C(=O)NC2CCCCC2)cc1","InChI=1S/C23H24FN3O2S/c24-17-13-10-16(11-14-17)12-15-21(28)27-23(30)26-20-9-5-4-8-19(20)22(29)25-18-6-2-1-3-7-18/h4-5,8-15,18H,1-3,6-7H2,(H,25,29)(H2,26,27,28,30)","INCRWERAVAHWNB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15301",16589,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153749","Fc1ccc(CCNC2=NC(=O)\\C(S2)=C\\c2ccc3ncccc3c2)cc1","InChI=1S/C21H16FN3OS/c22-17-6-3-14(4-7-17)9-11-24-21-25-20(26)19(27-21)13-15-5-8-18-16(12-15)2-1-10-23-18/h1-8,10,12-13H,9,11H2,(H,24,25,26)/b19-13-","UXZMCMNLBUGBMC-UYRXBGFRSA-N",null,402]
["D15302",11954,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43087","Fc1ccc(CN(C2=NC3CS(=O)(=O)CC3S2)c2ccccc2F)c(Cl)c1","InChI=1S/C18H15ClF2N2O2S2/c19-13-7-12(20)6-5-11(13)8-23(16-4-2-1-3-14(16)21)18-22-15-9-27(24,25)10-17(15)26-18/h1-7,15,17H,8-10H2","MNAGRIWQWCHDEM-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D15303",3917,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66832","Fc1ccc(CNC(=O)CCC2N=C3N(C2=O)C(SCC(=O)NCC2CCCO2)=Nc2ccccc32)cc1","InChI=1S/C27H28FN5O4S/c28-18-9-7-17(8-10-18)14-29-23(34)12-11-22-26(36)33-25(31-22)20-5-1-2-6-21(20)32-27(33)38-16-24(35)30-15-19-4-3-13-37-19/h1-2,5-10,19,22H,3-4,11-16H2,(H,29,34)(H,30,35)","GMKICYBQCBOTSV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15304",17653,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50401930","Fc1ccc(CNc2ncc(C3CC3)c(NCCCNC(=O)c3cccs3)n2)cc1","InChI=1S/C22H24FN5OS/c23-17-8-4-15(5-9-17)13-26-22-27-14-18(16-6-7-16)20(28-22)24-10-2-11-25-21(29)19-3-1-12-30-19/h1,3-5,8-9,12,14,16H,2,6-7,10-11,13H2,(H,25,29)(H2,24,26,27,28)","LRZDXHKKEGGUBE-UHFFFAOYSA-N",null,">10000"]
["D15305",12098,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM5167","Fc1ccc(COc2cccc3C(=O)N(Cc4ccccc4)CCc23)cc1","InChI=1S/C23H20FNO2/c24-19-11-9-18(10-12-19)16-27-22-8-4-7-21-20(22)13-14-25(23(21)26)15-17-5-2-1-3-6-17/h1-12H,13-16H2","VACAZYQVEDLRNR-UHFFFAOYSA-N",null,4151]
["D15306",11796,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM69148","Fc1ccc(CSc2nnc(o2)-c2ccncc2)cc1","InChI=1S/C14H10FN3OS/c15-12-3-1-10(2-4-12)9-20-14-18-17-13(19-14)11-5-7-16-8-6-11/h1-8H,9H2","IFQJLGWWSDEDCY-UHFFFAOYSA-N",null,2438]
["D15307",4397,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66320","Fc1ccc(Cn2c(cc3sccc23)C(=O)N2CCCc3ccccc23)cc1","InChI=1S/C23H19FN2OS/c24-18-9-7-16(8-10-18)15-26-20-11-13-28-22(20)14-21(26)23(27)25-12-3-5-17-4-1-2-6-19(17)25/h1-2,4,6-11,13-14H,3,5,12,15H2","OCCGECUUUGBYNI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15308",3748,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66367","Fc1ccc(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)cc1","InChI=1S/C27H22ClFN4O5S/c28-20-8-6-19(7-9-20)17-33(39(36,37)25-4-2-1-3-5-25)18-24-15-14-23(38-24)16-30-32-27(35)26(34)31-22-12-10-21(29)11-13-22/h1-16H,17-18H2,(H,31,34)(H,32,35)","SOAUDDORUOHPKB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15309",32007,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67114","Fc1ccc(NC(=O)C(N2CCN(CC2)C(=O)c2ccccc2)c2ccccc2)cc1","InChI=1S/C25H24FN3O2/c26-21-11-13-22(14-12-21)27-24(30)23(19-7-3-1-4-8-19)28-15-17-29(18-16-28)25(31)20-9-5-2-6-10-20/h1-14,23H,15-18H2,(H,27,30)","PABQHHBQMICVHC-UHFFFAOYSA-N",null,">55690"]
["D15310",32006,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67113","Fc1ccc(NC(=O)C(N2CCN(CC2)S(=O)(=O)c2ccc(cc2)C#N)c2ccccc2)cc1","InChI=1S/C25H23FN4O3S/c26-21-8-10-22(11-9-21)28-25(31)24(20-4-2-1-3-5-20)29-14-16-30(17-15-29)34(32,33)23-12-6-19(18-27)7-13-23/h1-13,24H,14-17H2,(H,28,31)","GGLZHYONLZEWIB-UHFFFAOYSA-N",null,">55690"]
["D15311",31999,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67105","Fc1ccc(NC(=O)C(N2CCN(CC2)S(=O)(=O)c2ccc3OCCOc3c2)c2ccccc2)cc1","InChI=1S/C26H26FN3O5S/c27-20-6-8-21(9-7-20)28-26(31)25(19-4-2-1-3-5-19)29-12-14-30(15-13-29)36(32,33)22-10-11-23-24(18-22)35-17-16-34-23/h1-11,18,25H,12-17H2,(H,28,31)","IHGLGLPNOBYEKO-UHFFFAOYSA-N",null,">55690"]
["D15312",31995,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67100","Fc1ccc(NC(=O)C(N2CCN(CC2)S(=O)(=O)c2ccc3ccccc3c2)c2ccccc2)cc1","InChI=1S/C28H26FN3O3S/c29-24-11-13-25(14-12-24)30-28(33)27(22-7-2-1-3-8-22)31-16-18-32(19-17-31)36(34,35)26-15-10-21-6-4-5-9-23(21)20-26/h1-15,20,27H,16-19H2,(H,30,33)","WMRHHRDZYIPISU-UHFFFAOYSA-N",null,">55690"]
["D15313",31996,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67101","Fc1ccc(NC(=O)C(N2CCN(CC2)S(=O)(=O)c2ccccc2)c2ccccc2)cc1","InChI=1S/C24H24FN3O3S/c25-20-11-13-21(14-12-20)26-24(29)23(19-7-3-1-4-8-19)27-15-17-28(18-16-27)32(30,31)22-9-5-2-6-10-22/h1-14,23H,15-18H2,(H,26,29)","LNHIEYLABBPNKJ-UHFFFAOYSA-N",null,">55690"]
["D15314",32008,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67115","Fc1ccc(NC(=O)C(N2CCN(CC2)S(=O)(=O)c2ccccc2C#N)c2ccccc2)cc1","InChI=1S/C25H23FN4O3S/c26-21-10-12-22(13-11-21)28-25(31)24(19-6-2-1-3-7-19)29-14-16-30(17-15-29)34(32,33)23-9-5-4-8-20(23)18-27/h1-13,24H,14-17H2,(H,28,31)","VAPDIEKMEDXORR-UHFFFAOYSA-N",null,">55690"]
["D15315",4110,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66997","Fc1ccc(NC(=O)COC(=O)c2ccc(CN3CCCC3=O)cc2)cc1","InChI=1S/C20H19FN2O4/c21-16-7-9-17(10-8-16)22-18(24)13-27-20(26)15-5-3-14(4-6-15)12-23-11-1-2-19(23)25/h3-10H,1-2,11-13H2,(H,22,24)","BMTQOJQTCHVQRH-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15316",4101,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66988","Fc1ccc(NC(=O)CSc2nnc(o2)-c2ccncc2)cc1F","InChI=1S/C15H10F2N4O2S/c16-11-2-1-10(7-12(11)17)19-13(22)8-24-15-21-20-14(23-15)9-3-5-18-6-4-9/h1-7H,8H2,(H,19,22)","HECLELNRYHDTCV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15317",4225,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66233","Fc1ccc(NC(=O)N2CCCC2C(=O)NCCc2ccccc2)cc1","InChI=1S/C20H22FN3O2/c21-16-8-10-17(11-9-16)23-20(26)24-14-4-7-18(24)19(25)22-13-12-15-5-2-1-3-6-15/h1-3,5-6,8-11,18H,4,7,12-14H2,(H,22,25)(H,23,26)","CTVYXVYMZREKSD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15318",4537,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66493","Fc1ccc(NC(=S)NCc2ccccc2Cl)cc1","InChI=1S/C14H12ClFN2S/c15-13-4-2-1-3-10(13)9-17-14(19)18-12-7-5-11(16)6-8-12/h1-8H,9H2,(H2,17,18,19)","HQARCOHKWYFFES-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15319",4721,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66647","Fc1ccc(NC(=S)NNC2=c3cc(Br)ccc3=NC2=O)cc1","InChI=1S/C15H10BrFN4OS/c16-8-1-6-12-11(7-8)13(14(22)19-12)20-21-15(23)18-10-4-2-9(17)3-5-10/h1-7H,(H2,18,21,23)(H,19,20,22)","NWPIFOWAOAFYDL-UHFFFAOYSA-N",{"$nulls":3},43480]
["D15320",25933,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM4779","Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl","InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)","OMZCMEYTWSXEPZ-UHFFFAOYSA-N",null,null,">10000"]
["D15321",12018,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43149","Fc1ccc(OCc2cc(no2)C(=O)N2CCCC(C2)OCc2cccnc2)c(Cl)c1","InChI=1S/C22H21ClFN3O4/c23-19-9-16(24)5-6-21(19)30-14-18-10-20(26-31-18)22(28)27-8-2-4-17(12-27)29-13-15-3-1-7-25-11-15/h1,3,5-7,9-11,17H,2,4,8,12-14H2","MOHODDZTLPZKBE-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D15322",11892,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43039","Fc1ccc(Oc2nc(ccc2C#N)-c2ccc(Cl)cc2)cc1","InChI=1S/C18H10ClFN2O/c19-14-4-1-12(2-5-14)17-10-3-13(11-21)18(22-17)23-16-8-6-15(20)7-9-16/h1-10H","LIXFRJCDSLOBKI-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D15323",4726,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66651","Fc1ccc(SCC(=O)Nc2ccc(cc2)C2SCCS2)cc1","InChI=1S/C17H16FNOS3/c18-13-3-7-15(8-4-13)23-11-16(20)19-14-5-1-12(2-6-14)17-21-9-10-22-17/h1-8,17H,9-11H2,(H,19,20)","VCUBOXISNHDJPA-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15324",25890,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM15244","Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1","InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H","VEPKQEUBKLEPRA-UHFFFAOYSA-N",null,null,">10000"]
["D15325",4126,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67012","Fc1ccc(c(OCc2ccccc2)c1)-c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)NC[C@H]1CCCO1","InChI=1S/C32H26FNO6S/c33-22-12-14-24(27(17-22)40-19-20-6-2-1-3-7-20)21-11-13-25-29(16-21)41(37,38)28-10-4-9-26(30(28)31(25)35)32(36)34-18-23-8-5-15-39-23/h1-4,6-7,9-14,16-17,23H,5,8,15,18-19H2,(H,34,36)/t23-/m1/s1","YKYKNLZRVTYVBQ-HSZRJFAPSA-N",{"$nulls":3},">350000"]
["D15326",11913,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43059","Fc1ccc(cc1)-c1cc(n2ncc(c2n1)S(=O)(=O)c1ccccc1)C(F)(F)F","InChI=1S/C19H11F4N3O2S/c20-13-8-6-12(7-9-13)15-10-17(19(21,22)23)26-18(25-15)16(11-24-26)29(27,28)14-4-2-1-3-5-14/h1-11H","HDESNHOZWUYACY-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D15327",4235,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66241","Fc1ccc(cc1)-c1nn(cc1C1NC(=O)NC1=O)-c1ccccc1","InChI=1S/C18H13FN4O2/c19-12-8-6-11(7-9-12)15-14(16-17(24)21-18(25)20-16)10-23(22-15)13-4-2-1-3-5-13/h1-10,16H,(H2,20,21,24,25)","MPQWYPLPWGUMJE-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15328",3672,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50064463","Fc1ccc(cc1)-n1ccc2nc(COc3ccccc3)cn2c1=O","InChI=1S/C19H14FN3O2/c20-14-6-8-16(9-7-14)22-11-10-18-21-15(12-23(18)19(22)24)13-25-17-4-2-1-3-5-17/h1-12H,13H2","SCXUQPKHWUFDNI-UHFFFAOYSA-N",{"$nulls":3},">10000"]
["D15329",12422,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42942","Fc1ccc(cc1)-n1nnc2c(SCC(=O)NCc3ccco3)ncnc12","InChI=1S/C17H13FN6O2S/c18-11-3-5-12(6-4-11)24-16-15(22-23-24)17(21-10-20-16)27-9-14(25)19-8-13-2-1-7-26-13/h1-7,10H,8-9H2,(H,19,25)","GHFZOGQLDARQCR-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D15330",4688,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66621","Fc1ccc(cc1)C(=O)C1=NN[C@H]2[C@@H]1C(=O)N(Cc1ccccc1)C2=O","InChI=1S/C19H14FN3O3/c20-13-8-6-12(7-9-13)17(24)15-14-16(22-21-15)19(26)23(18(14)25)10-11-4-2-1-3-5-11/h1-9,14,16,22H,10H2/t14-,16+/m1/s1","QMYSFTWXPQEQKD-ZBFHGGJFSA-N",{"$nulls":3},">350000"]
["D15331",12388,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42912","Fc1ccc(cc1)C(=O)CSc1nnc(Cc2cccs2)n1CC=C","InChI=1S/C18H16FN3OS2/c1-2-9-22-17(11-15-4-3-10-24-15)20-21-18(22)25-12-16(23)13-5-7-14(19)8-6-13/h2-8,10H,1,9,11-12H2","HZNFZGPPNCRRBX-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D15332",12045,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43176","Fc1ccc(cc1)C(=O)Nc1nc(nc2ccccc12)-c1ccccc1","InChI=1S/C21H14FN3O/c22-16-12-10-15(11-13-16)21(26)25-20-17-8-4-5-9-18(17)23-19(24-20)14-6-2-1-3-7-14/h1-13H,(H,23,24,25,26)","MYESLFCLAFQWQU-UHFFFAOYSA-N",{"$nulls":3},22960]
["D15333",26034,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1/alpha-1B/alpha-2/delta-1","Rattus norvegicus","BDBM50481860","Fc1ccc(cc1)C(CCCCC(=O)N1CCN(C\\C=C\\c2ccccc2)CC1)c1ccc(F)cc1","InChI=1S/C31H34F2N2O/c32-28-16-12-26(13-17-28)30(27-14-18-29(33)19-15-27)10-4-5-11-31(36)35-23-21-34(22-24-35)20-6-9-25-7-2-1-3-8-25/h1-3,6-9,12-19,30H,4-5,10-11,20-24H2/b9-6+","HQRVILVXQIGODC-RMKNXTFCSA-N",null,90]
["D15334",4453,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM55563","Fc1ccc(cc1)C(N(CCc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(=O)NC1CCCCC1","InChI=1S/C31H32FN3O5S/c32-24-17-15-23(16-18-24)29(30(37)33-25-11-5-2-6-12-25)34(20-19-22-9-3-1-4-10-22)28(36)21-35-31(38)26-13-7-8-14-27(26)41(35,39)40/h1,3-4,7-10,13-18,25,29H,2,5-6,11-12,19-21H2,(H,33,37)","UEWHJNCVZBHJQW-UHFFFAOYSA-N",{"$nulls":3},24130]
["D15335",25980,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481469","Fc1ccc(cc1)C(N1CCN(CC1)C(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1","InChI=1S/C32H31FN2O/c33-29-18-16-28(17-19-29)32(27-14-8-3-9-15-27)35-22-20-34(21-23-35)31(36)24-30(25-10-4-1-5-11-25)26-12-6-2-7-13-26/h1-19,30,32H,20-24H2","QJXZQIYIFNIJIO-UHFFFAOYSA-N",null,380]
["D15336",26033,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1/alpha-1B/alpha-2/delta-1","Rattus norvegicus","BDBM50017702","Fc1ccc(cc1)C(N1CCN(C\\C=C\\c2ccccc2)CC1)c1ccc(F)cc1","InChI=1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2/b7-4+","SMANXXCATUTDDT-QPJJXVBHSA-N",null,80]
["D15337",4364,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66299","Fc1ccc(cc1)N1C(N2CCCC2C1=O)c1cccc(Br)c1","InChI=1S/C18H16BrFN2O/c19-13-4-1-3-12(11-13)17-21-10-2-5-16(21)18(23)22(17)15-8-6-14(20)7-9-15/h1,3-4,6-9,11,16-17H,2,5,10H2","BIHNZOCMIFXZIK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15338",3976,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66882","Fc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1nnc(s1)C1CCCCC1","InChI=1S/C19H21FN4O2S/c20-14-6-8-15(9-7-14)24-11-13(10-16(24)25)17(26)21-19-23-22-18(27-19)12-4-2-1-3-5-12/h6-9,12-13H,1-5,10-11H2,(H,21,23,26)","ROSVTZIPLRAZSA-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15339",32295,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446027","Fc1ccc(cc1)N1CCN(CC1)C(=O)N1CCOCC1","InChI=1S/C15H20FN3O2/c16-13-1-3-14(4-2-13)17-5-7-18(8-6-17)15(20)19-9-11-21-12-10-19/h1-4H,5-12H2","OVVCCYKSBNDQHR-UHFFFAOYSA-N",null,">30000"]
["D15340",31993,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67097","Fc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(cc1)-n1c(=S)[nH]c2ccccc2c1=O","InChI=1S/C25H21FN4O2S/c26-18-7-11-19(12-8-18)28-13-15-29(16-14-28)23(31)17-5-9-20(10-6-17)30-24(32)21-3-1-2-4-22(21)27-25(30)33/h1-12H,13-16H2,(H,27,33)","HIMZVHQHNADRIT-UHFFFAOYSA-N",null,">55690"]
["D15341",3673,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50064444","Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)cn2C1=O","InChI=1S/C19H16FN3O2/c20-14-6-8-16(9-7-14)22-11-10-18-21-15(12-23(18)19(22)24)13-25-17-4-2-1-3-5-17/h1-9,12H,10-11,13H2","NLNMCEXQEHYXBB-UHFFFAOYSA-N",{"$nulls":3},">10000"]
["D15342",3681,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50134466","Fc1ccc(cc1)N1CCn2nc(OCc3ccccc3)cc2C1=O","InChI=1S/C19H16FN3O2/c20-15-6-8-16(9-7-15)22-10-11-23-17(19(22)24)12-18(21-23)25-13-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2","PVXQBLCMLZKSAX-UHFFFAOYSA-N",{"$nulls":3},">10000"]
["D15343",358,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81909","Fc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1","InChI=1S/C22H18FN3O3S/c23-17-10-12-18(13-11-17)30(28,29)26(14-16-6-2-1-3-7-16)15-21-24-20-9-5-4-8-19(20)22(27)25-21/h1-13H,14-15H2,(H,24,25,27)","SJKIDORXXVJOAY-UHFFFAOYSA-N",14300]
["D15344",13564,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19246690","Fc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]2","InChI=1S/C22H18FN3O3S/c23-17-10-12-18(13-11-17)30(28,29)26(14-16-6-2-1-3-7-16)15-21-24-20-9-5-4-8-19(20)22(27)25-21/h1-13H,14-15H2,(H,24,25,27)","SJKIDORXXVJOAY-UHFFFAOYSA-N",-1737.16844885161,-144413.109914661,33583.6279560178,{"$nulls":3},6.73724622310434]
["D15345",4081,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66973","Fc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccccc1N1CCCC1","InChI=1S/C22H26FN3O3S/c23-18-7-9-19(10-8-18)30(28,29)26-15-11-17(12-16-26)22(27)24-20-5-1-2-6-21(20)25-13-3-4-14-25/h1-2,5-10,17H,3-4,11-16H2,(H,24,27)","ZZSHMXOHKBOXIN-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15346",12277,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87306","Fc1ccc(cc1)S(=O)(=O)c1snnc1-c1ccccc1","InChI=1S/C14H9FN2O2S2/c15-11-6-8-12(9-7-11)21(18,19)14-13(16-17-20-14)10-4-2-1-3-5-10/h1-9H","GBVYDHSHLMCCLB-UHFFFAOYSA-N",null,22100]
["D15347",14829,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276872","Fc1ccc(cc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C24H19FN4O/c25-22-6-3-17(13-18(22)15-26)20-7-8-27-24-21(20)14-23(28-24)16-1-4-19(5-2-16)29-9-11-30-12-10-29/h1-8,13-14H,9-12H2,(H,27,28)","MODAJKPYXYGZEW-UHFFFAOYSA-N",null,6.06,{"$nulls":4},7]
["D15348",16832,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277865","Fc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C23H22FN7O/c24-21-6-1-16(11-17(21)12-25)22-26-15-27-23(29-22)28-18-2-4-19(5-3-18)30-7-9-31(10-8-30)20-13-32-14-20/h1-6,11,15,20H,7-10,13-14H2,(H,26,27,28,29)","ZDJJDPJTYQBGQL-UHFFFAOYSA-N",null,853]
["D15349",31823,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67133","Fc1ccc(cc1F)-c1csc(Cn2c(CN3CCOCC3)nc3ccccc3c2=O)n1","InChI=1S/C23H20F2N4O2S/c24-17-6-5-15(11-18(17)25)20-14-32-22(27-20)13-29-21(12-28-7-9-31-10-8-28)26-19-4-2-1-3-16(19)23(29)30/h1-6,11,14H,7-10,12-13H2","SOZAQECVDQKZJL-UHFFFAOYSA-N",null,16622]
["D15350",3680,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50134443","Fc1ccc(nc1)N1CCn2nc(COc3ccccc3)cc2C1=O","InChI=1S/C18H15FN4O2/c19-13-6-7-17(20-11-13)22-8-9-23-16(18(22)24)10-14(21-23)12-25-15-4-2-1-3-5-15/h1-7,10-11H,8-9,12H2","CNYVJDHTGDPUBS-UHFFFAOYSA-N",{"$nulls":3},">10000"]
["D15351",28738,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50275050","Fc1ccc2CCCC(Nc3nc4ccccc4[nH]3)c2c1","InChI=1S/C17H16FN3/c18-12-9-8-11-4-3-7-14(13(11)10-12)19-17-20-15-5-1-2-6-16(15)21-17/h1-2,5-6,8-10,14H,3-4,7H2,(H2,19,20,21)","PJRHYQKKJIKFHE-UHFFFAOYSA-N",null,null,34]
["D15352",4048,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66948","Fc1ccc2nc(sc2c1)N(CCCN1CCOCC1)C(=O)CCS(=O)(=O)c1ccccc1","InChI=1S/C23H26FN3O4S2/c24-18-7-8-20-21(17-18)32-23(25-20)27(11-4-10-26-12-14-31-15-13-26)22(28)9-16-33(29,30)19-5-2-1-3-6-19/h1-3,5-8,17H,4,9-16H2","GBSYPFTUNRGMBV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15353",4398,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66321","Fc1cccc(C(=O)N2CCCC2)c1F","InChI=1S/C11H11F2NO/c12-9-5-3-4-8(10(9)13)11(15)14-6-1-2-7-14/h3-5H,1-2,6-7H2","HIMBTZNXIVPALB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15354",3830,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66758","Fc1cccc(CN2CCSc3sccc3C2=O)c1","InChI=1S/C14H12FNOS2/c15-11-3-1-2-10(8-11)9-16-5-7-19-14-12(13(16)17)4-6-18-14/h1-4,6,8H,5,7,9H2","ITFPCNFXUICCDR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15355",4974,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50022759","Fc1cccc(COc2ccc3C(=O)NCCc3n2)c1","InChI=1S/C15H13FN2O2/c16-11-3-1-2-10(8-11)9-20-14-5-4-12-13(18-14)6-7-17-15(12)19/h1-5,8H,6-7,9H2,(H,17,19)","FMUAFDSEYCJYKD-UHFFFAOYSA-N",{"$nulls":3},">10000"]
["D15356",12292,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM6567","Fc1cccc(CSc2nnc3ccc(nn23)-c2ccncc2)c1","InChI=1S/C17H12FN5S/c18-14-3-1-2-12(10-14)11-24-17-21-20-16-5-4-15(22-23(16)17)13-6-8-19-9-7-13/h1-10H,11H2","PRUFJCLGUFZHLG-UHFFFAOYSA-N",null,">35840"]
["D15357",4114,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67001","Fc1cccc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c1","InChI=1S/C17H20FN3O3/c18-12-6-5-7-13(10-12)19-14(22)11-21-15(23)17(20-16(21)24)8-3-1-2-4-9-17/h5-7,10H,1-4,8-9,11H2,(H,19,22)(H,20,24)","CZGBDBAAACVCFU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15358",17203,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50401907","Fc1cccc(Nc2ncc(Br)c(NCCCNC(=O)C3CCC3)n2)c1","InChI=1S/C18H21BrFN5O/c19-15-11-23-18(24-14-7-2-6-13(20)10-14)25-16(15)21-8-3-9-22-17(26)12-4-1-5-12/h2,6-7,10-12H,1,3-5,8-9H2,(H,22,26)(H2,21,23,24,25)","JUSSXPRFOJRUEO-UHFFFAOYSA-N",null,2]
["D15359",14932,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50401908","Fc1cccc(Nc2ncc(Br)c(NCCCNC(=O)C3CCCC3)n2)c1","InChI=1S/C19H23BrFN5O/c20-16-12-24-19(25-15-8-3-7-14(21)11-15)26-17(16)22-9-4-10-23-18(27)13-5-1-2-6-13/h3,7-8,11-13H,1-2,4-6,9-10H2,(H,23,27)(H2,22,24,25,26)","RFPGSBIVMOJECN-UHFFFAOYSA-N",null,8]
["D15360",16739,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50401938","Fc1cccc(Nc2ncc(Br)c(NCCCNC(=O)CCc3ccccc3)n2)c1","InChI=1S/C22H23BrFN5O/c23-19-15-27-22(28-18-9-4-8-17(24)14-18)29-21(19)26-13-5-12-25-20(30)11-10-16-6-2-1-3-7-16/h1-4,6-9,14-15H,5,10-13H2,(H,25,30)(H2,26,27,28,29)","RQFQXOMCCZAIFX-UHFFFAOYSA-N",null,560]
["D15361",16614,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50401941","Fc1cccc(Nc2ncc(Br)c(NCCCNC(=O)c3ccc(cc3)C(F)(F)F)n2)c1","InChI=1S/C21H18BrF4N5O/c22-17-12-29-20(30-16-4-1-3-15(23)11-16)31-18(17)27-9-2-10-28-19(32)13-5-7-14(8-6-13)21(24,25)26/h1,3-8,11-12H,2,9-10H2,(H,28,32)(H2,27,29,30,31)","CJDABHAABLSUIL-UHFFFAOYSA-N",null,450]
["D15362",17408,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50401940","Fc1cccc(Nc2ncc(Br)c(NCCCNC(=O)c3cccc(c3)N3CCOCC3)n2)c1","InChI=1S/C24H26BrFN6O2/c25-21-16-29-24(30-19-6-2-5-18(26)15-19)31-22(21)27-8-3-9-28-23(33)17-4-1-7-20(14-17)32-10-12-34-13-11-32/h1-2,4-7,14-16H,3,8-13H2,(H,28,33)(H2,27,29,30,31)","BHTWDDFYVRILBE-UHFFFAOYSA-N",null,3600]
["D15363",14963,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50401909","Fc1cccc(Nc2ncc(Br)c(NCCCNC(=O)c3cccs3)n2)c1","InChI=1S/C18H17BrFN5OS/c19-14-11-23-18(24-13-5-1-4-12(20)10-13)25-16(14)21-7-3-8-22-17(26)15-6-2-9-27-15/h1-2,4-6,9-11H,3,7-8H2,(H,22,26)(H2,21,23,24,25)","VDDFCDUWOMCJQP-UHFFFAOYSA-N",null,9]
["D15364",15393,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50401939","Fc1cccc(Nc2ncc(Br)c(NCCCNC(=O)c3cnccn3)n2)c1","InChI=1S/C18H17BrFN7O/c19-14-10-25-18(26-13-4-1-3-12(20)9-13)27-16(14)23-5-2-6-24-17(28)15-11-21-7-8-22-15/h1,3-4,7-11H,2,5-6H2,(H,24,28)(H2,23,25,26,27)","WYPHCSSATDPLMA-UHFFFAOYSA-N",null,22]
["D15365",21,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401906","Fc1cccc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)c1","InChI=1S/C21H26FN5O/c22-16-6-2-7-17(12-16)26-21-25-13-18(14-8-9-14)19(27-21)23-10-3-11-24-20(28)15-4-1-5-15/h2,6-7,12-15H,1,3-5,8-11H2,(H,24,28)(H2,23,25,26,27)","URECOWLJWSLQCN-UHFFFAOYSA-N",null,1300]
["D15366",16239,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50401932","Fc1cccc(Nc2ncc(C3CC3)c(NCCCNC(=O)c3cccs3)n2)c1","InChI=1S/C21H22FN5OS/c22-15-4-1-5-16(12-15)26-21-25-13-17(14-7-8-14)19(27-21)23-9-3-10-24-20(28)18-6-2-11-29-18/h1-2,4-6,11-14H,3,7-10H2,(H,24,28)(H2,23,25,26,27)","WUDJRFMUYIPXKI-UHFFFAOYSA-N",null,110]
["D15367",16960,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50401933","Fc1cccc(Nc2ncc(CC3CC3)c(NCCCNC(=O)C3CCC3)n2)c1","InChI=1S/C22H28FN5O/c23-18-6-2-7-19(13-18)27-22-26-14-17(12-15-8-9-15)20(28-22)24-10-3-11-25-21(29)16-4-1-5-16/h2,6-7,13-16H,1,3-5,8-12H2,(H,25,29)(H2,24,26,27,28)","HYUKSMLKXIVLKF-UHFFFAOYSA-N",null,">1000"]
["D15368",4392,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66317","Fc1cccc(c1)-c1nc2cc(NC(=O)c3ccccc3F)ccc2o1","InChI=1S/C20H12F2N2O2/c21-13-5-3-4-12(10-13)20-24-17-11-14(8-9-18(17)26-20)23-19(25)15-6-1-2-7-16(15)22/h1-11H,(H,23,25)","KVEYCPZWHQMLKU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15369",3977,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66883","Fc1cccc(c1)N(CC(=O)NCc1ccccc1)C(=O)CCC(=O)Nc1nccs1","InChI=1S/C22H21FN4O3S/c23-17-7-4-8-18(13-17)27(15-20(29)25-14-16-5-2-1-3-6-16)21(30)10-9-19(28)26-22-24-11-12-31-22/h1-8,11-13H,9-10,14-15H2,(H,25,29)(H,24,26,28)","RWGUXCDBTHFFBN-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15370",4119,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67005","Fc1cccc(c1)S(=O)(=O)N1CCN(CC1)C(=O)c1cc(nn1-c1ccccc1)C1CC1","InChI=1S/C23H23FN4O3S/c24-18-5-4-8-20(15-18)32(30,31)27-13-11-26(12-14-27)23(29)22-16-21(17-9-10-17)25-28(22)19-6-2-1-3-7-19/h1-8,15-17H,9-14H2","DYTFCWLSZFELGG-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15371",4047,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66947","Fc1cccc2sc(nc12)N(CCCN1CCOCC1)C(=O)CS(=O)(=O)c1ccccc1","InChI=1S/C22H24FN3O4S2/c23-18-8-4-9-19-21(18)24-22(31-19)26(11-5-10-25-12-14-30-15-13-25)20(27)16-32(28,29)17-6-2-1-3-7-17/h1-4,6-9H,5,10-16H2","JGQCLAJBUMIBAD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15372",12127,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87286","Fc1ccccc1-c1cs\\c(=N/c2cccnc2)n1CCCn1ccnc1","InChI=1S/C20H18FN5S/c21-18-7-2-1-6-17(18)19-14-27-20(24-16-5-3-8-22-13-16)26(19)11-4-10-25-12-9-23-15-25/h1-3,5-9,12-15H,4,10-11H2/b24-20-","AHWQMRNCOPKAGT-GFMRDNFCSA-N",null,5270]
["D15373",31839,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67132","Fc1ccccc1-c1csc(Cn2c(CN3CCOCC3)nc3ccccc3c2=O)n1","InChI=1S/C23H21FN4O2S/c24-18-7-3-1-5-16(18)20-15-31-22(26-20)14-28-21(13-27-9-11-30-12-10-27)25-19-8-4-2-6-17(19)23(28)29/h1-8,15H,9-14H2","MVXOEPUXIKNFPA-UHFFFAOYSA-N",null,18704]
["D15374",4383,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66309","Fc1ccccc1C(=O)Nc1ccc2oc(nc2c1)-c1ccccc1","InChI=1S/C20H13FN2O2/c21-16-9-5-4-8-15(16)19(24)22-14-10-11-18-17(12-14)23-20(25-18)13-6-2-1-3-7-13/h1-12H,(H,22,24)","BREJECQOAIYGKD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15375",3787,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66720","Fc1ccccc1C(=O)Nc1ccc2oc(nc2c1)-c1ccccc1F","InChI=1S/C20H12F2N2O2/c21-15-7-3-1-5-13(15)19(25)23-12-9-10-18-17(11-12)24-20(26-18)14-6-2-4-8-16(14)22/h1-11H,(H,23,25)","KVMZJXZKTAAATN-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15376",32184,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43623","Fc1ccccc1C1N(CCc2c1[nH]c1ccccc21)C(=O)Cc1cnc2ncnn2c1","InChI=1S/C24H19FN6O/c25-19-7-3-1-6-18(19)23-22-17(16-5-2-4-8-20(16)29-22)9-10-30(23)21(32)11-15-12-26-24-27-14-28-31(24)13-15/h1-8,12-14,23,29H,9-11H2","OKGLIGZTZVWJTO-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D15377",16749,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153751","Fc1ccccc1CCNC1=NC(=O)\\C(S1)=C\\c1ccc2ncccc2c1","InChI=1S/C21H16FN3OS/c22-17-6-2-1-4-15(17)9-11-24-21-25-20(26)19(27-21)13-14-7-8-18-16(12-14)5-3-10-23-18/h1-8,10,12-13H,9,11H2,(H,24,25,26)/b19-13-","STXWTJXGSSNHTL-UYRXBGFRSA-N",null,598]
["D15378",11875,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43024","Fc1ccccc1CSc1nc2ncc(Br)cc2[nH]1","InChI=1S/C13H9BrFN3S/c14-9-5-11-12(16-6-9)18-13(17-11)19-7-8-3-1-2-4-10(8)15/h1-6H,7H2,(H,16,17,18)","ILOLPXFRSGURQA-UHFFFAOYSA-N",{"$nulls":3},49520]
["D15379",32096,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46385","Fc1ccccc1Cn1ccc(NC(=O)c2ccc(COc3ccc(Br)cc3)cc2)n1","InChI=1S/C24H19BrFN3O2/c25-20-9-11-21(12-10-20)31-16-17-5-7-18(8-6-17)24(30)27-23-13-14-29(28-23)15-19-3-1-2-4-22(19)26/h1-14H,15-16H2,(H,27,28,30)","UAWSIVZHCJZCCR-UHFFFAOYSA-N",null,">55700"]
["D15380",32090,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46378","Fc1ccccc1Cn1ccc(NC(=O)c2ccc(COc3ccccc3Cl)cc2)n1","InChI=1S/C24H19ClFN3O2/c25-20-6-2-4-8-22(20)31-16-17-9-11-18(12-10-17)24(30)27-23-13-14-29(28-23)15-19-5-1-3-7-21(19)26/h1-14H,15-16H2,(H,27,28,30)","SIXLGGLREGGDSV-UHFFFAOYSA-N",null,">55700"]
["D15381",12411,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42934","Fc1ccccc1Cn1nnc2c(SCC(=O)N3CCN(CC3)c3ccccc3)ncnc12","InChI=1S/C23H22FN7OS/c24-19-9-5-4-6-17(19)14-31-22-21(27-28-31)23(26-16-25-22)33-15-20(32)30-12-10-29(11-13-30)18-7-2-1-3-8-18/h1-9,16H,10-15H2","ZLQJGQJKHNBZBN-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D15382",4781,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66700","Fc1ccccc1N1CCN(CC1)C(=O)CCC(=O)N1CCN(CC1)c1ccccc1","InChI=1S/C24H29FN4O2/c25-21-8-4-5-9-22(21)27-14-18-29(19-15-27)24(31)11-10-23(30)28-16-12-26(13-17-28)20-6-2-1-3-7-20/h1-9H,10-19H2","SDPNUDADJKBWOQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15383",5060,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50547310","Fc1ccccc1N1CCN(CC1)c1c(cnc2c(OC3CCC3)cccc12)C#N","InChI=1S/C24H23FN4O/c25-20-8-1-2-9-21(20)28-11-13-29(14-12-28)24-17(15-26)16-27-23-19(24)7-4-10-22(23)30-18-5-3-6-18/h1-2,4,7-10,16,18H,3,5-6,11-14H2","WEJWXNRDXFQKDR-UHFFFAOYSA-N",{"$nulls":3},1800]
["D15384",5062,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50547312","Fc1ccccc1N1CCN(CC1)c1c(cnc2c(OC3CCOC3)cccc12)C#N","InChI=1S/C24H23FN4O2/c25-20-5-1-2-6-21(20)28-9-11-29(12-10-28)24-17(14-26)15-27-23-19(24)4-3-7-22(23)31-18-8-13-30-16-18/h1-7,15,18H,8-13,16H2","JUNLNCVYHQKMJC-UHFFFAOYSA-N",{"$nulls":3},1300]
["D15385",5067,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50547314","Fc1ccccc1N1CCN(CC1)c1c(cnc2c(OCC3CCOC3)cccc12)C#N","InChI=1S/C25H25FN4O2/c26-21-5-1-2-6-22(21)29-9-11-30(12-10-29)25-19(14-27)15-28-24-20(25)4-3-7-23(24)32-17-18-8-13-31-16-18/h1-7,15,18H,8-13,16-17H2","XTBDBZIBVDAAEJ-UHFFFAOYSA-N",{"$nulls":3},1300]
["D15386",5071,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50547316","Fc1ccccc1N1CCN(CC1)c1c(cnc2c(cccc12)-n1cccn1)C#N","InChI=1S/C23H19FN6/c24-19-6-1-2-7-20(19)28-11-13-29(14-12-28)23-17(15-25)16-26-22-18(23)5-3-8-21(22)30-10-4-9-27-30/h1-10,16H,11-14H2","WLWQLSDIBLVCRG-UHFFFAOYSA-N",{"$nulls":3},">10000"]
["D15387",5072,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50547317","Fc1ccccc1N1CCN(CC1)c1c(cnc2c(cccc12)-n1ccnc1)C#N","InChI=1S/C23H19FN6/c24-19-5-1-2-6-20(19)28-10-12-29(13-11-28)23-17(14-25)15-27-22-18(23)4-3-7-21(22)30-9-8-26-16-30/h1-9,15-16H,10-13H2","QYLACPISICXXPI-UHFFFAOYSA-N",{"$nulls":3},6700]
["D15388",5073,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50547318","Fc1ccccc1N1CCN(CC1)c1c(cnc2c(cccc12)-n1cncn1)C#N","InChI=1S/C22H18FN7/c23-18-5-1-2-6-19(18)28-8-10-29(11-9-28)22-16(12-24)13-26-21-17(22)4-3-7-20(21)30-15-25-14-27-30/h1-7,13-15H,8-11H2","RKTHVFINKHOTLB-UHFFFAOYSA-N",{"$nulls":3},">10000"]
["D15389",5076,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50547321","Fc1ccccc1N1CCN(CC1)c1c(cnc2c(cccc12)N1CCC(F)(F)CC1)C#N","InChI=1S/C25H24F3N5/c26-20-5-1-2-6-21(20)32-12-14-33(15-13-32)24-18(16-29)17-30-23-19(24)4-3-7-22(23)31-10-8-25(27,28)9-11-31/h1-7,17H,8-15H2","WCKBDTFOHXJHLZ-UHFFFAOYSA-N",{"$nulls":3},">10000"]
["D15390",5074,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50547319","Fc1ccccc1N1CCN(CC1)c1c(cnc2c(cccc12)N1CCCC1)C#N","InChI=1S/C24H24FN5/c25-20-7-1-2-8-21(20)29-12-14-30(15-13-29)24-18(16-26)17-27-23-19(24)6-5-9-22(23)28-10-3-4-11-28/h1-2,5-9,17H,3-4,10-15H2","RXDSSMWBYHUOQJ-UHFFFAOYSA-N",{"$nulls":3},">10000"]
["D15391",5075,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50547320","Fc1ccccc1N1CCN(CC1)c1c(cnc2c(cccc12)N1CCCCC1)C#N","InChI=1S/C25H26FN5/c26-21-8-2-3-9-22(21)30-13-15-31(16-14-30)25-19(17-27)18-28-24-20(25)7-6-10-23(24)29-11-4-1-5-12-29/h2-3,6-10,18H,1,4-5,11-16H2","DPXNKKVFPDSPJK-UHFFFAOYSA-N",{"$nulls":3},">10000"]
["D15392",5077,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50547322","Fc1ccccc1N1CCN(CC1)c1c(cnc2c(cccc12)N1CCOCC1)C#N","InChI=1S/C24H24FN5O/c25-20-5-1-2-6-21(20)28-8-10-30(11-9-28)24-18(16-26)17-27-23-19(24)4-3-7-22(23)29-12-14-31-15-13-29/h1-7,17H,8-15H2","UHXPYYUMYJVKRD-UHFFFAOYSA-N",{"$nulls":3},1300]
["D15393",32151,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43723","Fc1ccccc1N=CCC(=O)c1ccc(Br)cc1","InChI=1S/C15H11BrFNO/c16-12-7-5-11(6-8-12)15(19)9-10-18-14-4-2-1-3-13(14)17/h1-8,10H,9H2","HEAFXLZWNUOLNQ-UHFFFAOYSA-N",{"$nulls":3},">55690"]
["D15394",4625,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66572","Fc1ccccc1NC(=O)CSc1nnc(CNC(=O)COc2ccc(Cl)cc2)o1","InChI=1S/C19H16ClFN4O4S/c20-12-5-7-13(8-6-12)28-10-16(26)22-9-18-24-25-19(29-18)30-11-17(27)23-15-4-2-1-3-14(15)21/h1-8H,9-11H2,(H,22,26)(H,23,27)","DJIUIRIEKIASNR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15395",16821,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50401931","Fc1ccccc1Nc1ncc(C2CC2)c(NCCCNC(=O)c2cccs2)n1","InChI=1S/C21H22FN5OS/c22-16-5-1-2-6-17(16)26-21-25-13-15(14-8-9-14)19(27-21)23-10-4-11-24-20(28)18-7-3-12-29-18/h1-3,5-7,12-14H,4,8-11H2,(H,24,28)(H2,23,25,26,27)","PAHAEQCXQIADLT-UHFFFAOYSA-N",null,820]
["D15396",4677,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66615","Fc1ccccc1S(=O)(=O)N1C(=O)N(C2(CCCC2)C1=O)S(=O)(=O)c1ccccc1F","InChI=1S/C19H16F2N2O6S2/c20-13-7-1-3-9-15(13)30(26,27)22-17(24)19(11-5-6-12-19)23(18(22)25)31(28,29)16-10-4-2-8-14(16)21/h1-4,7-10H,5-6,11-12H2","JEVOATAESIVYGZ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15397",16062,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245990","Fc1cnc(Nc2ccc(CN3CCOCC3)nc2)nc1-c1cnc(N2CCCOCC2)c(c1)C#N","InChI=1S/C25H27FN8O2/c26-22-16-30-25(31-20-2-3-21(28-15-20)17-33-5-9-36-10-6-33)32-23(22)19-12-18(13-27)24(29-14-19)34-4-1-8-35-11-7-34/h2-3,12,14-16H,1,4-11,17H2,(H,30,31,32)","WABQZEGBBIRTQM-UHFFFAOYSA-N",null,"<100",{"$nulls":4},7.5]
["D15398",16040,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246026","Fc1cnc(Nc2ccc(CN3CCOCC3)nc2)nc1-c1cnc(NC2CC2)c(c1)C#N","InChI=1S/C23H23FN8O/c24-20-13-28-23(30-18-3-4-19(26-12-18)14-32-5-7-33-8-6-32)31-21(20)16-9-15(10-25)22(27-11-16)29-17-1-2-17/h3-4,9,11-13,17H,1-2,5-8,14H2,(H,27,29)(H,28,30,31)","HZOSCAUALWVLEZ-UHFFFAOYSA-N",null,"<100",{"$nulls":4},7.5]
["D15399",16061,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245989","Fc1cnc(Nc2ccc(NC(=O)CN3CCOCC3)nc2)nc1-c1cnc(N2CCCOCC2)c(c1)C#N","InChI=1S/C26H28FN9O3/c27-21-16-31-26(32-20-2-3-22(29-15-20)33-23(37)17-35-5-9-39-10-6-35)34-24(21)19-12-18(13-28)25(30-14-19)36-4-1-8-38-11-7-36/h2-3,12,14-16H,1,4-11,17H2,(H,29,33,37)(H,31,32,34)","HGGPITWGFHIZSK-UHFFFAOYSA-N",null,"<100",{"$nulls":4},7.5]
["D15400",16028,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245997","Fc1cnc(Nc2ccnc(NC(=O)CN3CCOCC3)c2)nc1-c1cnc(N2CCCOCC2)c(c1)C#N","InChI=1S/C26H28FN9O3/c27-21-16-31-26(32-20-2-3-29-22(13-20)33-23(37)17-35-5-9-39-10-6-35)34-24(21)19-12-18(14-28)25(30-15-19)36-4-1-8-38-11-7-36/h2-3,12-13,15-16H,1,4-11,17H2,(H2,29,31,32,33,34,37)","NBYDCQAOYLIZHB-UHFFFAOYSA-N",null,"<100",{"$nulls":4},7.5]
["D15401",16041,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246027","Fc1cnc(Nc2ccnc(NC(=O)CN3CCOCC3)c2)nc1-c1cnc(NC2CC2)c(c1)C#N","InChI=1S/C24H24FN9O2/c25-19-13-29-24(33-22(19)16-9-15(11-26)23(28-12-16)30-17-1-2-17)31-18-3-4-27-20(10-18)32-21(35)14-34-5-7-36-8-6-34/h3-4,9-10,12-13,17H,1-2,5-8,14H2,(H,28,30)(H2,27,29,31,32,33,35)","PQWODORNTXCXNF-UHFFFAOYSA-N",null,"<100",{"$nulls":4},7.5]
["D15402",14844,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276997","Fc1cnc2[nH]c(cc2c1-c1ccc(OC2CCOCC2)c(c1)C#N)-c1ccc(OCCN2CCCC2)cc1","InChI=1S/C31H31FN4O3/c32-27-20-34-31-26(30(27)22-5-8-29(23(17-22)19-33)39-25-9-14-37-15-10-25)18-28(35-31)21-3-6-24(7-4-21)38-16-13-36-11-1-2-12-36/h3-8,17-18,20,25H,1-2,9-16H2,(H,34,35)","QZQONLSSIXUDTB-UHFFFAOYSA-N",null,6.35]
["D15403",14660,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276861","Fc1cnc2[nH]c(cc2c1-c1ccc(OC2CCOCC2)c(c1)C#N)-c1ccc(cc1)N1CCOCC1","InChI=1S/C29H27FN4O3/c30-25-18-32-29-24(16-26(33-29)19-1-4-22(5-2-19)34-9-13-36-14-10-34)28(25)20-3-6-27(21(15-20)17-31)37-23-7-11-35-12-8-23/h1-6,15-16,18,23H,7-14H2,(H,32,33)","XYPYFRDCXBQJFC-UHFFFAOYSA-N",null,4.05,{"$nulls":4},7]
["D15404",16452,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478751","Fc1cncc(Cl)c1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C26H25ClFN7O/c27-19-13-29-14-20(28)24(19)18-3-4-21-22(12-18)32-26(31-21)33-23-11-16(5-6-30-23)15-34-7-9-35(10-8-34)25(36)17-1-2-17/h3-6,11-14,17H,1-2,7-10,15H2,(H2,30,31,32,33)","BTJUZTSLJGVXKY-UHFFFAOYSA-N",null,260]
["D15405",16363,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478750","Fc1cncc(Cl)c1-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C25H22ClF4N7O/c26-17-12-31-13-18(27)23(17)16-1-2-19-20(10-16)34-24(33-19)35-21-9-15(3-4-32-21)14-36-5-7-37(8-6-36)22(38)11-25(28,29)30/h1-4,9-10,12-13H,5-8,11,14H2,(H2,32,33,34,35)","LGLMCUOLEZFVPM-UHFFFAOYSA-N",null,190]
["D15406",28473,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50264019","Ic1ccc(Nc2nc(cs2)-c2ccccn2)nc1","InChI=1S/C13H9IN4S/c14-9-4-5-12(16-7-9)18-13-17-11(8-19-13)10-3-1-2-6-15-10/h1-8H,(H,16,17,18)","NMJGIAZGQDHVAH-UHFFFAOYSA-N",null,">30000"]
["D15407",32292,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446017","Ic1ccc(cc1)N1CCN(CC1)C(=O)N1CCOCC1","InChI=1S/C15H20IN3O2/c16-13-1-3-14(4-2-13)17-5-7-18(8-6-17)15(20)19-9-11-21-12-10-19/h1-4H,5-12H2","ITUWDETWNLXHDB-UHFFFAOYSA-N",null,">30000"]
["D15408",14919,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM17051","Ic1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)c1cccs1","InChI=1S/C23H26IN7O2S/c24-18-15-27-22(30-20(18)25-9-5-10-26-21(32)19-8-4-13-34-19)28-16-6-3-7-17(14-16)29-23(33)31-11-1-2-12-31/h3-4,6-8,13-15H,1-2,5,9-12H2,(H,26,32)(H,29,33)(H2,25,27,28,30)","VAVXGGRQQJZYBL-UHFFFAOYSA-N",null,8]
["D15409",16237,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144200","N#CC1CC1Cn1cc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1","InChI=1S/C25H24N6O2/c26-12-19-10-21(19)15-31-16-22(14-29-31)30-25-11-18(3-6-28-25)17-1-2-24(20(9-17)13-27)33-23-4-7-32-8-5-23/h1-3,6,9,11,14,16,19,21,23H,4-5,7-8,10,15H2,(H,28,30)","NDSBUHYDEKJESH-UHFFFAOYSA-N",null,110,{"$nulls":4},7.5,"30.00 C"]
["D15410",25889,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM50355501","N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12","InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1","HFNKQEVNSGCOJV-OAHLLOKOSA-N",null,null,">10000"]
["D15411",4374,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM44797","N#CCn1nnc(n1)-c1ccc2OCOc2c1","InChI=1S/C10H7N5O2/c11-3-4-15-13-10(12-14-15)7-1-2-8-9(5-7)17-6-16-8/h1-2,5H,4,6H2","YNIYVBDDGBMJLY-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15412",4232,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66238","N#CN=C1SCCS1","InChI=1S/C4H4N2S2/c5-3-6-4-7-1-2-8-4/h1-2H2","VKWDKDAWFFPNDD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15413",3775,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66383","N#C\\C(=C/c1ccc(o1)N1CCOCC1)c1ccccc1","InChI=1S/C17H16N2O2/c18-13-15(14-4-2-1-3-5-14)12-16-6-7-17(21-16)19-8-10-20-11-9-19/h1-7,12H,8-11H2/b15-12+","CGIVHWUJFVEVKK-NTCAYCPXSA-N",{"$nulls":3},">350000"]
["D15414",32148,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43688","N#C\\C(=C/c1ccc(o1)N1CCOCC1)c1nc2ccccc2[nH]1","InChI=1S/C18H16N4O2/c19-12-13(18-20-15-3-1-2-4-16(15)21-18)11-14-5-6-17(24-14)22-7-9-23-10-8-22/h1-6,11H,7-10H2,(H,20,21)/b13-11+","NLTIXGLRVWLYBW-ACCUITESSA-N",{"$nulls":3},">687.51",null,null,7.8,"22.00 C"]
["D15415",11900,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43047","N#Cc1c(SCc2nnc(o2)-c2ccccc2)nc(cc1-c1ccccc1)-c1ccccc1","InChI=1S/C27H18N4OS/c28-17-23-22(19-10-4-1-5-11-19)16-24(20-12-6-2-7-13-20)29-27(23)33-18-25-30-31-26(32-25)21-14-8-3-9-15-21/h1-16H,18H2","LOFPBEUCAOSEMV-UHFFFAOYSA-N",{"$nulls":3},27630]
["D15416",15075,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277814","N#Cc1cc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1OC1CCOCC1","InChI=1S/C27H26N6O4/c28-15-19-13-18(1-3-24(19)36-22-5-9-34-10-6-22)26-30-17-31-27(33-26)32-21-2-4-25(20(14-21)16-29)37-23-7-11-35-12-8-23/h1-4,13-14,17,22-23H,5-12H2,(H,30,31,32,33)","RSUQGUXLJAJYCT-UHFFFAOYSA-N",null,10]
["D15417",15830,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144177","N#Cc1cc(ccc1CCC1CCC1)-c1ccnc(Nc2ccc(cn2)N2CCOCC2)c1","InChI=1S/C27H29N5O/c28-18-24-16-22(7-6-21(24)5-4-20-2-1-3-20)23-10-11-29-27(17-23)31-26-9-8-25(19-30-26)32-12-14-33-15-13-32/h6-11,16-17,19-20H,1-5,12-15H2,(H,29,30,31)","DUUHSIDQKSIHGY-UHFFFAOYSA-N",null,54,{"$nulls":4},7.5,"30.00 C"]
["D15418",15084,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276884","N#Cc1cc(ccc1CN1CCOCC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C29H29N5O2/c30-19-24-17-22(1-2-23(24)20-33-9-13-35-14-10-33)26-7-8-31-29-27(26)18-28(32-29)21-3-5-25(6-4-21)34-11-15-36-16-12-34/h1-8,17-18H,9-16,20H2,(H,31,32)","HHQNUTHBVPEMMS-UHFFFAOYSA-N",null,10.5]
["D15419",15348,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276936","N#Cc1cc(ccc1CN1CCOCC1)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C28H28N6O2/c29-17-23-15-21(1-2-22(23)18-33-7-11-35-12-8-33)27-25-16-26(32-28(25)31-19-30-27)20-3-5-24(6-4-20)34-9-13-36-14-10-34/h1-6,15-16,19H,7-14,18H2,(H,30,31,32)","MTGQOLKCKMZXFD-UHFFFAOYSA-N",null,19.6]
["D15420",15911,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276937","N#Cc1cc(ccc1CN1CCOCC1)-c1ncnc2[nH]c(cc12)-c1cccc(c1)N1CCOCC1","InChI=1S/C28H28N6O2/c29-17-23-14-21(4-5-22(23)18-33-6-10-35-11-7-33)27-25-16-26(32-28(25)31-19-30-27)20-2-1-3-24(15-20)34-8-12-36-13-9-34/h1-5,14-16,19H,6-13,18H2,(H,30,31,32)","LXKLPOKJWLBIKC-UHFFFAOYSA-N",null,69.1,{"$nulls":4},7]
["D15421",14813,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277989","N#Cc1cc(ccc1N1CC2(C1)CCOCC2)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C30H34N8O2/c31-16-23-15-22(1-6-27(23)38-19-30(20-38)7-13-39-14-8-30)28-32-21-33-29(35-28)34-24-2-4-25(5-3-24)36-9-11-37(12-10-36)26-17-40-18-26/h1-6,15,21,26H,7-14,17-20H2,(H,32,33,34,35)","OKJFJQVTIVWYIY-UHFFFAOYSA-N",null,6]
["D15422",15442,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277988","N#Cc1cc(ccc1N1CC2(CCO2)C1)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H30N8O2/c29-14-21-13-20(1-6-25(21)36-17-28(18-36)7-12-38-28)26-30-19-31-27(33-26)32-22-2-4-23(5-3-22)34-8-10-35(11-9-34)24-15-37-16-24/h1-6,13,19,24H,7-12,15-18H2,(H,30,31,32,33)","JYPGCFWLCBLHPH-UHFFFAOYSA-N",null,26]
["D15423",15474,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277990","N#Cc1cc(ccc1N1CCC2(C1)CCOCC2)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C31H36N8O2/c32-18-24-17-23(1-6-28(24)39-10-7-31(21-39)8-15-40-16-9-31)29-33-22-34-30(36-29)35-25-2-4-26(5-3-25)37-11-13-38(14-12-37)27-19-41-20-27/h1-6,17,22,27H,7-16,19-21H2,(H,33,34,35,36)","NZFRRXBTBGFTEY-UHFFFAOYSA-N",null,29]
["D15424",15888,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277986","N#Cc1cc(ccc1N1CCC2(C1)OCCO2)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C29H32N8O3/c30-16-22-15-21(1-6-26(22)37-8-7-29(19-37)39-13-14-40-29)27-31-20-32-28(34-27)33-23-2-4-24(5-3-23)35-9-11-36(12-10-35)25-17-38-18-25/h1-6,15,20,25H,7-14,17-19H2,(H,31,32,33,34)","VGOVEZGBNVYOHI-UHFFFAOYSA-N",null,64]
["D15425",15719,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277985","N#Cc1cc(ccc1N1CCC2(CCO2)C1)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C29H32N8O2/c30-16-22-15-21(1-6-26(22)37-9-7-29(19-37)8-14-39-29)27-31-20-32-28(34-27)33-23-2-4-24(5-3-23)35-10-12-36(13-11-35)25-17-38-18-25/h1-6,15,20,25H,7-14,17-19H2,(H,31,32,33,34)","UGMAHFKADMABPB-UHFFFAOYSA-N",null,38]
["D15426",15137,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277992","N#Cc1cc(ccc1N1CCC2(CCO2)CC1)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C30H34N8O2/c31-18-23-17-22(1-6-27(23)38-10-7-30(8-11-38)9-16-40-30)28-32-21-33-29(35-28)34-24-2-4-25(5-3-24)36-12-14-37(15-13-36)26-19-39-20-26/h1-6,17,21,26H,7-16,19-20H2,(H,32,33,34,35)","RKYCDMCUMUHJSO-UHFFFAOYSA-N",null,12]
["D15427",14498,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277991","N#Cc1cc(ccc1N1CCC2(CCOC2)CC1)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C31H36N8O2/c32-18-24-17-23(1-6-28(24)39-10-7-31(8-11-39)9-16-40-21-31)29-33-22-34-30(36-29)35-25-2-4-26(5-3-25)37-12-14-38(15-13-37)27-19-41-20-27/h1-6,17,22,27H,7-16,19-21H2,(H,33,34,35,36)","JYFXAIKWNGOWSR-UHFFFAOYSA-N",null,3]
["D15428",15138,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277984","N#Cc1cc(ccc1N1CCC2(COC2)C1)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C29H32N8O2/c30-14-22-13-21(1-6-26(22)37-8-7-29(17-37)18-39-19-29)27-31-20-32-28(34-27)33-23-2-4-24(5-3-23)35-9-11-36(12-10-35)25-15-38-16-25/h1-6,13,20,25H,7-12,15-19H2,(H,31,32,33,34)","RUDJAFYRHASKHJ-UHFFFAOYSA-N",null,12]
["D15429",15575,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148082","N#Cc1cc(ccc1N1CCCC1)-c1ccnc(Nc2ccc(nc2)N2CCOCC2)n1","InChI=1S/C24H25N7O/c25-16-19-15-18(3-5-22(19)30-9-1-2-10-30)21-7-8-26-24(29-21)28-20-4-6-23(27-17-20)31-11-13-32-14-12-31/h3-8,15,17H,1-2,9-14H2,(H,26,28,29)","BEWCKABPPSBSRH-UHFFFAOYSA-N",null,"<30",{"$nulls":4},7.5]
["D15430",14890,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276863","N#Cc1cc(ccc1N1CCCC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C28H27N5O/c29-19-22-17-21(5-8-27(22)33-11-1-2-12-33)24-9-10-30-28-25(24)18-26(31-28)20-3-6-23(7-4-20)32-13-15-34-16-14-32/h3-10,17-18H,1-2,11-16H2,(H,30,31)","FLEOGRDSTYUSTN-UHFFFAOYSA-N",null,7.05,{"$nulls":4},7]
["D15431",14720,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277788","N#Cc1cc(ccc1N1CCCC1)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C27H30N8O/c28-16-21-15-20(3-8-25(21)35-9-1-2-10-35)26-29-19-30-27(32-26)31-22-4-6-23(7-5-22)33-11-13-34(14-12-33)24-17-36-18-24/h3-8,15,19,24H,1-2,9-14,17-18H2,(H,29,30,31,32)","JKUSWCJYJOTKDH-UHFFFAOYSA-N",null,5]
["D15432",14723,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277831","N#Cc1cc(ccc1N1CCCC1)-c1ncnc(Nc2ccc(cc2)N2CCOCC2)n1","InChI=1S/C24H25N7O/c25-16-19-15-18(3-8-22(19)31-9-1-2-10-31)23-26-17-27-24(29-23)28-20-4-6-21(7-5-20)30-11-13-32-14-12-30/h3-8,15,17H,1-2,9-14H2,(H,26,27,28,29)","VHXRRLPOQWDQTK-UHFFFAOYSA-N",null,5]
["D15433",15101,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277899","N#Cc1cc(ccc1NC1CCOCC1)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H32N8O2/c29-16-21-15-20(1-6-26(21)32-23-7-13-37-14-8-23)27-30-19-31-28(34-27)33-22-2-4-24(5-3-22)35-9-11-36(12-10-35)25-17-38-18-25/h1-6,15,19,23,25,32H,7-14,17-18H2,(H,30,31,33,34)","OVAQQIZLULNPJI-UHFFFAOYSA-N",null,11]
["D15434",15844,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276988","N#Cc1cc(ccc1OC1CC2(COC2)C1)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C29H27N5O3/c30-15-21-11-20(3-6-26(21)37-23-13-29(14-23)16-36-17-29)27-24-12-25(33-28(24)32-18-31-27)19-1-4-22(5-2-19)34-7-9-35-10-8-34/h1-6,11-12,18,23H,7-10,13-14,16-17H2,(H,31,32,33)","JKTIXJVMSVMBQU-UHFFFAOYSA-N",null,56.1,{"$nulls":4},7]
["D15435",15452,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278057","N#Cc1cc(ccc1OC1CCC2(CC1)OCCO2)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C31H35N7O4/c32-18-23-17-22(1-6-28(23)42-27-7-9-31(10-8-27)40-15-16-41-31)29-33-21-34-30(36-29)35-24-2-4-25(5-3-24)37-11-13-38(14-12-37)26-19-39-20-26/h1-6,17,21,26-27H,7-16,19-20H2,(H,33,34,35,36)","BWKUSTPWOMLNPZ-UHFFFAOYSA-N",null,27]
["D15436",14622,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277995","N#Cc1cc(ccc1OC1CCCCC1)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C29H33N7O2/c30-17-22-16-21(6-11-27(22)38-26-4-2-1-3-5-26)28-31-20-32-29(34-28)33-23-7-9-24(10-8-23)35-12-14-36(15-13-35)25-18-37-19-25/h6-11,16,20,25-26H,1-5,12-15,18-19H2,(H,31,32,33,34)","SIGUEOLIMUUHDA-UHFFFAOYSA-N",null,4]
["D15437",15771,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277047","N#Cc1cc(ccc1OC1CCCOC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C29H28N4O3/c30-18-22-16-21(5-8-28(22)36-24-2-1-13-35-19-24)25-9-10-31-29-26(25)17-27(32-29)20-3-6-23(7-4-20)33-11-14-34-15-12-33/h3-10,16-17,24H,1-2,11-15,19H2,(H,31,32)","YXPICBMCYAKVMM-UHFFFAOYSA-N",null,44.7]
["D15438",15135,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277812","N#Cc1cc(ccc1OC1CCCOC1)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H31N7O3/c29-15-21-14-20(3-8-26(21)38-25-2-1-13-36-18-25)27-30-19-31-28(33-27)32-22-4-6-23(7-5-22)34-9-11-35(12-10-34)24-16-37-17-24/h3-8,14,19,24-25H,1-2,9-13,16-18H2,(H,30,31,32,33)","NWJRJAZHCHVCIY-UHFFFAOYSA-N",null,12]
["D15439",15308,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276832","N#Cc1cc(ccc1OC1CCNCC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C29H29N5O2/c30-19-22-17-21(3-6-28(22)36-24-7-10-31-11-8-24)25-9-12-32-29-26(25)18-27(33-29)20-1-4-23(5-2-20)34-13-15-35-16-14-34/h1-6,9,12,17-18,24,31H,7-8,10-11,13-16H2,(H,32,33)","GPGFZZQWNGWWRK-UHFFFAOYSA-N",null,17.1,{"$nulls":4},7]
["D15440",15476,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277020","N#Cc1cc(ccc1OC1CCNCC1)-c1ccnc2[nH]c(nc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C28H28N6O2/c29-18-21-17-20(3-6-25(21)36-23-7-10-30-11-8-23)24-9-12-31-28-26(24)32-27(33-28)19-1-4-22(5-2-19)34-13-15-35-16-14-34/h1-6,9,12,17,23,30H,7-8,10-11,13-16H2,(H,31,32,33)","DBYUFBCKJUKDEA-UHFFFAOYSA-N",null,29.1]
["D15441",15640,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277027","N#Cc1cc(ccc1OC1CCNCC1)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C28H28N6O2/c29-17-21-15-20(3-6-26(21)36-23-7-9-30-10-8-23)27-24-16-25(33-28(24)32-18-31-27)19-1-4-22(5-2-19)34-11-13-35-14-12-34/h1-6,15-16,18,23,30H,7-14H2,(H,31,32,33)","PPUWDWJLBIFLJV-UHFFFAOYSA-N",null,31.1]
["D15442",15702,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276913","N#Cc1cc(ccc1OC1CCNCC1)-c1ncnc2[nH]c(nc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C27H27N7O2/c28-16-20-15-19(3-6-23(20)36-22-7-9-29-10-8-22)24-25-27(31-17-30-24)33-26(32-25)18-1-4-21(5-2-18)34-11-13-35-14-12-34/h1-6,15,17,22,29H,7-14H2,(H,30,31,32,33)","PKVFALLQQGKQAP-UHFFFAOYSA-N",null,36.8,{"$nulls":4},7]
["D15443",14729,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM375304","N#Cc1cc(ccc1OC1CCOC1)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C27H29N7O3/c28-14-20-13-19(1-6-25(20)37-24-7-12-35-17-24)26-29-18-30-27(32-26)31-21-2-4-22(5-3-21)33-8-10-34(11-9-33)23-15-36-16-23/h1-6,13,18,23-24H,7-12,15-17H2,(H,29,30,31,32)","BIXRKPUKMMJCGM-UHFFFAOYSA-N",null,5]
["D15444",15417,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276876","N#Cc1cc(ccc1OC1CCOCC1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C31H28N4O4/c32-18-22-15-20(1-3-29(22)38-24-6-11-36-12-7-24)26-5-10-34-31-27(26)17-28(35-31)21-2-4-30(23(16-21)19-33)39-25-8-13-37-14-9-25/h1-5,10,15-17,24-25H,6-9,11-14H2,(H,34,35)","JASHHRMOVFCTDG-UHFFFAOYSA-N",null,24.1,{"$nulls":4},7]
["D15445",18301,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277031","N#Cc1cc(ccc1OC1CCOCC1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C30H27N5O4/c31-16-21-13-19(1-3-27(21)38-23-5-9-36-10-6-23)26-15-25-29(33-18-34-30(25)35-26)20-2-4-28(22(14-20)17-32)39-24-7-11-37-12-8-24/h1-4,13-15,18,23-24H,5-12H2,(H,33,34,35)","YDRISZZAAFDOPR-UHFFFAOYSA-N",null,2.84,{"$nulls":4},7]
["D15446",16486,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144149","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cc(ccn2)C2=CCCCO2)c1","InChI=1S/C27H26N4O3/c28-18-22-15-19(4-5-25(22)34-23-8-13-32-14-9-23)20-6-10-29-26(16-20)31-27-17-21(7-11-30-27)24-3-1-2-12-33-24/h3-7,10-11,15-17,23H,1-2,8-9,12-14H2,(H,29,30,31)","UDNWHJPQDRSGDI-UHFFFAOYSA-N",null,290,{"$nulls":4},7.5,"30.00 C"]
["D15447",17199,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144137","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cc(ccn2)C2CCNCC2)c1","InChI=1S/C27H29N5O2/c28-18-23-15-20(1-2-25(23)34-24-7-13-33-14-8-24)22-6-12-31-27(17-22)32-26-16-21(5-11-30-26)19-3-9-29-10-4-19/h1-2,5-6,11-12,15-17,19,24,29H,3-4,7-10,13-14H2,(H,30,31,32)","LYMQARVHTYDQHO-UHFFFAOYSA-N",null,2,{"$nulls":4},7.5,"30.00 C"]
["D15448",16418,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144145","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cc(ccn2)N2CCOCC2)c1","InChI=1S/C26H27N5O3/c27-18-21-15-19(1-2-24(21)34-23-5-11-32-12-6-23)20-3-7-28-25(16-20)30-26-17-22(4-8-29-26)31-9-13-33-14-10-31/h1-4,7-8,15-17,23H,5-6,9-14H2,(H,28,29,30)","HTIICNKYFZGUBY-UHFFFAOYSA-N",null,230,{"$nulls":4},7.5,"30.00 C"]
["D15449",15607,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144189","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cc(n[nH]2)C2CC2)c1","InChI=1S/C23H23N5O2/c24-14-18-11-16(3-4-21(18)30-19-6-9-29-10-7-19)17-5-8-25-22(12-17)26-23-13-20(27-28-23)15-1-2-15/h3-5,8,11-13,15,19H,1-2,6-7,9-10H2,(H2,25,26,27,28)","WSZQEIWUWGBMDJ-UHFFFAOYSA-N",null,30,{"$nulls":4},7.5,"30.00 C"]
["D15450",15742,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144151","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2ccc(CN3CC4(COC4)C3)cn2)c1","InChI=1S/C28H29N5O3/c29-13-23-11-21(2-3-25(23)36-24-6-9-34-10-7-24)22-5-8-30-27(12-22)32-26-4-1-20(14-31-26)15-33-16-28(17-33)18-35-19-28/h1-5,8,11-12,14,24H,6-7,9-10,15-19H2,(H,30,31,32)","FOXLRMNNJOHKBL-UHFFFAOYSA-N",null,41,{"$nulls":4},7.5,"30.00 C"]
["D15451",15415,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144167","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2ccc(CN3CCOCC3)cn2)c1","InChI=1S/C27H29N5O3/c28-17-23-15-21(2-3-25(23)35-24-6-11-33-12-7-24)22-5-8-29-27(16-22)31-26-4-1-20(18-30-26)19-32-9-13-34-14-10-32/h1-5,8,15-16,18,24H,6-7,9-14,19H2,(H,29,30,31)","JSUQMOCFECZQSH-UHFFFAOYSA-N",null,24,{"$nulls":4},7.5,"30.00 C"]
["D15452",16254,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144186","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2ccc(cn2)-c2cn[nH]c2)c1","InChI=1S/C25H22N6O2/c26-13-20-11-17(1-3-23(20)33-22-6-9-32-10-7-22)18-5-8-27-25(12-18)31-24-4-2-19(14-28-24)21-15-29-30-16-21/h1-5,8,11-12,14-16,22H,6-7,9-10H2,(H,29,30)(H,27,28,31)","MJTMCXPFKSSYRZ-UHFFFAOYSA-N",null,120,{"$nulls":4},7.5,"30.00 C"]
["D15453",14916,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144185","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2ccc(cn2)N2CCOCC2)c1","InChI=1S/C26H27N5O3/c27-17-21-15-19(1-3-24(21)34-23-6-11-32-12-7-23)20-5-8-28-26(16-20)30-25-4-2-22(18-29-25)31-9-13-33-14-10-31/h1-5,8,15-16,18,23H,6-7,9-14H2,(H,28,29,30)","YHIJEMUYPDJQLD-UHFFFAOYSA-N",null,8,{"$nulls":4},7.5,"30.00 C"]
["D15454",15377,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144134","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2ccc(nn2)C2CCNCC2)c1","InChI=1S/C26H28N6O2/c27-17-21-15-19(1-3-24(21)34-22-8-13-33-14-9-22)20-7-12-29-26(16-20)30-25-4-2-23(31-32-25)18-5-10-28-11-6-18/h1-4,7,12,15-16,18,22,28H,5-6,8-11,13-14H2,(H,29,30,32)","HNBPCYSNJZUPBY-UHFFFAOYSA-N",null,21,{"$nulls":4},7.5,"30.00 C"]
["D15455",15187,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144163","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2ccc(nn2)C2CCOCC2)c1","InChI=1S/C26H27N5O3/c27-17-21-15-19(1-3-24(21)34-22-8-13-33-14-9-22)20-5-10-28-26(16-20)29-25-4-2-23(30-31-25)18-6-11-32-12-7-18/h1-5,10,15-16,18,22H,6-9,11-14H2,(H,28,29,31)","QQLAYKPAOURFQO-UHFFFAOYSA-N",null,14,{"$nulls":4},7.5,"30.00 C"]
["D15456",15971,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144153","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2ccc(nn2)N2CCOCC2)c1","InChI=1S/C25H26N6O3/c26-17-20-15-18(1-2-22(20)34-21-6-11-32-12-7-21)19-5-8-27-24(16-19)28-23-3-4-25(30-29-23)31-9-13-33-14-10-31/h1-5,8,15-16,21H,6-7,9-14H2,(H,27,28,29)","OUTINXWZDNJANR-UHFFFAOYSA-N",null,88,{"$nulls":4},7.5,"30.00 C"]
["D15457",15651,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144154","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cccc(n2)C2CCNCC2)c1","InChI=1S/C27H29N5O2/c28-18-22-16-20(4-5-25(22)34-23-9-14-33-15-10-23)21-8-13-30-27(17-21)32-26-3-1-2-24(31-26)19-6-11-29-12-7-19/h1-5,8,13,16-17,19,23,29H,6-7,9-12,14-15H2,(H,30,31,32)","LQABZRGBAHLOEB-UHFFFAOYSA-N",null,32,{"$nulls":4},7.5,"30.00 C"]
["D15458",14801,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144209","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cn[nH]c2)n1","InChI=1S/C19H18N6O2/c20-10-14-9-13(1-2-18(14)27-16-4-7-26-8-5-16)17-3-6-21-19(25-17)24-15-11-22-23-12-15/h1-3,6,9,11-12,16H,4-5,7-8H2,(H,22,23)(H,21,24,25)","SBZFMUSXXCQCBH-UHFFFAOYSA-N",null,6,{"$nulls":4},7.5,"30.00 C"]
["D15459",15063,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144135","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnc(cn2)C2CCNCC2)c1","InChI=1S/C26H28N6O2/c27-15-21-13-19(1-2-24(21)34-22-6-11-33-12-7-22)20-5-10-29-25(14-20)32-26-17-30-23(16-31-26)18-3-8-28-9-4-18/h1-2,5,10,13-14,16-18,22,28H,3-4,6-9,11-12H2,(H,29,31,32)","TVLWSLIAVPDZCA-UHFFFAOYSA-N",null,10,{"$nulls":4},7.5,"30.00 C"]
["D15460",14716,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144161","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnc(cn2)C2CCOCC2)c1","InChI=1S/C26H27N5O3/c27-15-21-13-19(1-2-24(21)34-22-6-11-33-12-7-22)20-3-8-28-25(14-20)31-26-17-29-23(16-30-26)18-4-9-32-10-5-18/h1-3,8,13-14,16-18,22H,4-7,9-12H2,(H,28,30,31)","JSWCKNMMDIGGRJ-UHFFFAOYSA-N",null,5,{"$nulls":4},7.5,"30.00 C"]
["D15461",16453,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM47117","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cncc(c2)-c2cccnc2)c1","InChI=1S/C27H23N5O2/c28-15-22-12-19(3-4-26(22)34-25-6-10-33-11-7-25)20-5-9-31-27(14-20)32-24-13-23(17-30-18-24)21-2-1-8-29-16-21/h1-5,8-9,12-14,16-18,25H,6-7,10-11H2,(H,31,32)","HDOTZQLJXWSXIO-UHFFFAOYSA-N",null,260,{"$nulls":4},7.5,"30.00 C"]
["D15462",16829,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144155","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cncc(n2)C2=CCCCO2)c1","InChI=1S/C26H25N5O3/c27-15-20-13-18(4-5-23(20)34-21-7-11-32-12-8-21)19-6-9-29-25(14-19)31-26-17-28-16-22(30-26)24-3-1-2-10-33-24/h3-6,9,13-14,16-17,21H,1-2,7-8,10-12H2,(H,29,30,31)","HIONSSOVORAGDX-UHFFFAOYSA-N",null,850,{"$nulls":4},7.5,"30.00 C"]
["D15463",15414,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144159","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cncc(n2)C2CCNCC2)c1","InChI=1S/C26H28N6O2/c27-15-21-13-19(1-2-24(21)34-22-6-11-33-12-7-22)20-5-10-30-25(14-20)32-26-17-29-16-23(31-26)18-3-8-28-9-4-18/h1-2,5,10,13-14,16-18,22,28H,3-4,6-9,11-12H2,(H,30,31,32)","JTBYAWVOSUNWIB-UHFFFAOYSA-N",null,24,{"$nulls":4},7.5,"30.00 C"]
["D15464",16530,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144148","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cncc(n2)N2CCOCC2)c1","InChI=1S/C25H26N6O3/c26-15-20-13-18(1-2-22(20)34-21-4-9-32-10-5-21)19-3-6-28-23(14-19)29-24-16-27-17-25(30-24)31-7-11-33-12-8-31/h1-3,6,13-14,16-17,21H,4-5,7-12H2,(H,28,29,30)","YSJYNAPMKLZIGV-UHFFFAOYSA-N",null,330,{"$nulls":4},7.5,"30.00 C"]
["D15465",15967,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144203","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(CC3CCOC3)c2)c1","InChI=1S/C25H27N5O3/c26-13-21-11-19(1-2-24(21)33-23-5-9-31-10-6-23)20-3-7-27-25(12-20)29-22-14-28-30(16-22)15-18-4-8-32-17-18/h1-3,7,11-12,14,16,18,23H,4-6,8-10,15,17H2,(H,27,29)","XXSJUYSLBGBRGF-UHFFFAOYSA-N",null,85,{"$nulls":4},7.5,"30.00 C"]
["D15466",15124,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144216","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(CC3CCOC3)c2)n1","InChI=1S/C24H26N6O3/c25-12-19-11-18(1-2-23(19)33-21-5-9-31-10-6-21)22-3-7-26-24(29-22)28-20-13-27-30(15-20)14-17-4-8-32-16-17/h1-3,7,11,13,15,17,21H,4-6,8-10,14,16H2,(H,26,28,29)","YZWVXQXPLIUUGA-UHFFFAOYSA-N",null,12,{"$nulls":4},7.5,"30.00 C"]
["D15467",15913,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144197","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(CCC3CCNCC3)c2)c1","InChI=1S/C27H32N6O2/c28-17-23-15-21(1-2-26(23)35-25-7-13-34-14-8-25)22-5-11-30-27(16-22)32-24-18-31-33(19-24)12-6-20-3-9-29-10-4-20/h1-2,5,11,15-16,18-20,25,29H,3-4,6-10,12-14H2,(H,30,32)","PECFUAQQLXEZJY-UHFFFAOYSA-N",null,70,{"$nulls":4},7.5,"30.00 C"]
["D15468",17198,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144220","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(CCC3CCNCC3)c2)n1","InChI=1S/C26H31N7O2/c27-16-21-15-20(1-2-25(21)35-23-7-13-34-14-8-23)24-5-11-29-26(32-24)31-22-17-30-33(18-22)12-6-19-3-9-28-10-4-19/h1-2,5,11,15,17-19,23,28H,3-4,6-10,12-14H2,(H,29,31,32)","WRMHBKKOYNOLHH-UHFFFAOYSA-N",null,2,{"$nulls":4},7.5,"30.00 C"]
["D15469",15862,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144146","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(CCN3CCCC3)c2)n1","InChI=1S/C25H29N7O2/c26-16-20-15-19(3-4-24(20)34-22-6-13-33-14-7-22)23-5-8-27-25(30-23)29-21-17-28-32(18-21)12-11-31-9-1-2-10-31/h3-5,8,15,17-18,22H,1-2,6-7,9-14H2,(H,27,29,30)","XHGRACBJXGTCJY-UHFFFAOYSA-N",null,60,{"$nulls":4},7.5,"30.00 C"]
["D15470",16003,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144198","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(CCN3CCOCC3)c2)c1","InChI=1S/C26H30N6O3/c27-17-22-15-20(1-2-25(22)35-24-4-11-33-12-5-24)21-3-6-28-26(16-21)30-23-18-29-32(19-23)8-7-31-9-13-34-14-10-31/h1-3,6,15-16,18-19,24H,4-5,7-14H2,(H,28,30)","DGEFLIVVPLYQKC-UHFFFAOYSA-N",null,100,{"$nulls":4},7.5,"30.00 C"]
["D15471",15277,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144214","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(CCN3CCOCC3)c2)n1","InChI=1S/C25H29N7O3/c26-16-20-15-19(1-2-24(20)35-22-4-11-33-12-5-22)23-3-6-27-25(30-23)29-21-17-28-32(18-21)8-7-31-9-13-34-14-10-31/h1-3,6,15,17-18,22H,4-5,7-14H2,(H,27,29,30)","YVRJIQLODAYFSS-UHFFFAOYSA-N",null,16,{"$nulls":4},7.5,"30.00 C"]
["D15472",16672,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144213","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(CCn3cccn3)c2)c1","InChI=1S/C25H25N7O2/c26-16-21-14-19(2-3-24(21)34-23-5-12-33-13-6-23)20-4-8-27-25(15-20)30-22-17-29-32(18-22)11-10-31-9-1-7-28-31/h1-4,7-9,14-15,17-18,23H,5-6,10-13H2,(H,27,30)","VWJJCQKYLQGLKH-UHFFFAOYSA-N",null,460,{"$nulls":4},7.5,"30.00 C"]
["D15473",15916,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144218","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(CCn3cccn3)c2)n1","InChI=1S/C24H24N8O2/c25-15-19-14-18(2-3-23(19)34-21-5-12-33-13-6-21)22-4-8-26-24(30-22)29-20-16-28-32(17-20)11-10-31-9-1-7-27-31/h1-4,7-9,14,16-17,21H,5-6,10-13H2,(H,26,29,30)","HYKUTXSZGOOHPE-UHFFFAOYSA-N",null,70,{"$nulls":4},7.5,"30.00 C"]
["D15474",16477,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144204","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(c2)C2CCNC2)c1","InChI=1S/C24H26N6O2/c25-13-19-11-17(1-2-23(19)32-22-5-9-31-10-6-22)18-3-8-27-24(12-18)29-20-14-28-30(16-20)21-4-7-26-15-21/h1-3,8,11-12,14,16,21-22,26H,4-7,9-10,15H2,(H,27,29)","IQRLNHJUFLQKGU-UHFFFAOYSA-N",null,280,{"$nulls":4},7.5,"30.00 C"]
["D15475",14866,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144215","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(c2)C2CCNC2)n1","InChI=1S/C23H25N7O2/c24-12-17-11-16(1-2-22(17)32-20-5-9-31-10-6-20)21-4-8-26-23(29-21)28-18-13-27-30(15-18)19-3-7-25-14-19/h1-2,4,8,11,13,15,19-20,25H,3,5-7,9-10,14H2,(H,26,28,29)","CIBVSEISWWXHEO-UHFFFAOYSA-N",null,7,{"$nulls":4},7.5,"30.00 C"]
["D15476",15921,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144193","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(c2)C2CCNCC2)c1","InChI=1S/C25H28N6O2/c26-15-20-13-18(1-2-24(20)33-23-6-11-32-12-7-23)19-3-10-28-25(14-19)30-21-16-29-31(17-21)22-4-8-27-9-5-22/h1-3,10,13-14,16-17,22-23,27H,4-9,11-12H2,(H,28,30)","VSJOESPDNYTXFI-UHFFFAOYSA-N",null,71,{"$nulls":4},7.5,"30.00 C"]
["D15477",14804,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144127","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(c2)C2CCNCC2)n1","InChI=1S/C24H27N7O2/c25-14-18-13-17(1-2-23(18)33-21-6-11-32-12-7-21)22-5-10-27-24(30-22)29-19-15-28-31(16-19)20-3-8-26-9-4-20/h1-2,5,10,13,15-16,20-21,26H,3-4,6-9,11-12H2,(H,27,29,30)","MLQSFEZKSQONMK-UHFFFAOYSA-N",null,6,{"$nulls":4},7.5,"30.00 C"]
["D15478",16487,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144201","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(c2)C2CNC2)c1","InChI=1S/C23H24N6O2/c24-11-18-9-16(1-2-22(18)31-21-4-7-30-8-5-21)17-3-6-26-23(10-17)28-19-12-27-29(15-19)20-13-25-14-20/h1-3,6,9-10,12,15,20-21,25H,4-5,7-8,13-14H2,(H,26,28)","NHSSQLZJTUWHPU-UHFFFAOYSA-N",null,290,{"$nulls":4},7.5,"30.00 C"]
["D15479",16512,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144150","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2nc(cs2)C2CC2)n1","InChI=1S/C22H21N5O2S/c23-12-16-11-15(3-4-20(16)29-17-6-9-28-10-7-17)18-5-8-24-21(25-18)27-22-26-19(13-30-22)14-1-2-14/h3-5,8,11,13-14,17H,1-2,6-7,9-10H2,(H,24,25,26,27)","IUSHILFEMDZEFI-UHFFFAOYSA-N",null,300,{"$nulls":4},7.5,"30.00 C"]
["D15480",16048,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144129","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2ncc(cn2)C2CCNCC2)c1","InChI=1S/C26H28N6O2/c27-15-21-13-19(1-2-24(21)34-23-6-11-33-12-7-23)20-5-10-29-25(14-20)32-26-30-16-22(17-31-26)18-3-8-28-9-4-18/h1-2,5,10,13-14,16-18,23,28H,3-4,6-9,11-12H2,(H,29,30,31,32)","UDLCUPNAFTWKLG-UHFFFAOYSA-N",null,100,{"$nulls":4},7.5,"30.00 C"]
["D15481",16296,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144152","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2nccc(n2)C2CCNCC2)c1","InChI=1S/C26H28N6O2/c27-17-21-15-19(1-2-24(21)34-22-7-13-33-14-8-22)20-5-11-29-25(16-20)32-26-30-12-6-23(31-26)18-3-9-28-10-4-18/h1-2,5-6,11-12,15-16,18,22,28H,3-4,7-10,13-14H2,(H,29,30,31,32)","CGELHDCKISPXTF-UHFFFAOYSA-N",null,140,{"$nulls":4},7.5,"30.00 C"]
["D15482",16778,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144191","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2ncccn2)c1","InChI=1S/C21H19N5O2/c22-14-17-12-15(2-3-19(17)28-18-5-10-27-11-6-18)16-4-9-23-20(13-16)26-21-24-7-1-8-25-21/h1-4,7-9,12-13,18H,5-6,10-11H2,(H,23,24,25,26)","RBZOKIOJSJECGZ-UHFFFAOYSA-N",null,670,{"$nulls":4},7.5,"30.00 C"]
["D15483",15659,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276852","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1cc2ccccc2[nH]1","InChI=1S/C27H22N4O2/c28-16-19-13-17(5-6-26(19)33-20-8-11-32-12-9-20)21-7-10-29-27-22(21)15-25(31-27)24-14-18-3-1-2-4-23(18)30-24/h1-7,10,13-15,20,30H,8-9,11-12H2,(H,29,31)","CGFPGAHHLFCHCL-UHFFFAOYSA-N",null,32.5,{"$nulls":4},7]
["D15484",15564,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276816","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCOCC2)cc1","InChI=1S/C30H30N4O3/c31-19-24-17-23(5-6-29(24)37-25-8-13-35-14-9-25)26-7-10-32-30-27(26)18-28(33-30)22-3-1-21(2-4-22)20-34-11-15-36-16-12-34/h1-7,10,17-18,25H,8-9,11-16,20H2,(H,32,33)","PRBYIDLQEMMFNC-UHFFFAOYSA-N",null,1.5]
["D15485",16100,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276877","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1ccc(OCCN2CCCC2)cc1","InChI=1S/C31H32N4O3/c32-21-24-19-23(5-8-30(24)38-26-10-16-36-17-11-26)27-9-12-33-31-28(27)20-29(34-31)22-3-6-25(7-4-22)37-18-15-35-13-1-2-14-35/h3-9,12,19-20,26H,1-2,10-11,13-18H2,(H,33,34)","RGVXQILQOSLWGS-UHFFFAOYSA-N",null,1.84]
["D15486",15671,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277000","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)-n1cccn1","InChI=1S/C28H23N5O2/c29-18-21-16-20(4-7-27(21)35-23-9-14-34-15-10-23)24-8-12-30-28-25(24)17-26(32-28)19-2-5-22(6-3-19)33-13-1-11-31-33/h1-8,11-13,16-17,23H,9-10,14-15H2,(H,30,32)","BWUXLVAYVBIOEY-UHFFFAOYSA-N",null,33.5]
["D15487",14766,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276881","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)C1(CC1)C#N","InChI=1S/C29H24N4O2/c30-17-21-15-20(3-6-27(21)35-23-8-13-34-14-9-23)24-7-12-32-28-25(24)16-26(33-28)19-1-4-22(5-2-19)29(18-31)10-11-29/h1-7,12,15-16,23H,8-11,13-14H2,(H,32,33)","FIXFKGPYMFSZPG-UHFFFAOYSA-N",null,5.56,{"$nulls":4},7]
["D15488",14684,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276860","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CC2(COC2)C1","InChI=1S/C30H28N4O3/c31-15-22-13-21(3-6-28(22)37-24-8-11-35-12-9-24)25-7-10-32-29-26(25)14-27(33-29)20-1-4-23(5-2-20)34-16-30(17-34)18-36-19-30/h1-7,10,13-14,24H,8-9,11-12,16-19H2,(H,32,33)","FISLZZGDXCBTTQ-UHFFFAOYSA-N",null,4.49,{"$nulls":4},7]
["D15489",15540,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276899","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCN(CC1)C1COC1","InChI=1S/C32H33N5O3/c33-19-24-17-23(3-6-31(24)40-27-8-15-38-16-9-27)28-7-10-34-32-29(28)18-30(35-32)22-1-4-25(5-2-22)36-11-13-37(14-12-36)26-20-39-21-26/h1-7,10,17-18,26-27H,8-9,11-16,20-21H2,(H,34,35)","SJJKBERVVQPRLP-UHFFFAOYSA-N",null,1.31]
["D15490",15531,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276868","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCNCC1","InChI=1S/C29H29N5O2/c30-19-22-17-21(3-6-28(22)36-24-8-15-35-16-9-24)25-7-10-32-29-26(25)18-27(33-29)20-1-4-23(5-2-20)34-13-11-31-12-14-34/h1-7,10,17-18,24,31H,8-9,11-16H2,(H,32,33)","JBJLQWYMHSSDCI-UHFFFAOYSA-N",null,1.28]
["D15491",14538,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276862","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C29H28N4O3/c30-19-22-17-21(3-6-28(22)36-24-8-13-34-14-9-24)25-7-10-31-29-26(25)18-27(32-29)20-1-4-23(5-2-20)33-11-15-35-16-12-33/h1-7,10,17-18,24H,8-9,11-16H2,(H,31,32)","CJFDKOVGFVYTRP-UHFFFAOYSA-N",null,3.26]
["D15492",14664,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276895","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1ccc(nc1)N1CCOCC1","InChI=1S/C28H27N5O3/c29-17-21-15-19(1-3-26(21)36-22-6-11-34-12-7-22)23-5-8-30-28-24(23)16-25(32-28)20-2-4-27(31-18-20)33-9-13-35-14-10-33/h1-5,8,15-16,18,22H,6-7,9-14H2,(H,30,32)","JNYUZMNVAQNKRU-UHFFFAOYSA-N",null,4.1,{"$nulls":4},7]
["D15493",15652,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276859","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1ccc2[nH]ccc2c1","InChI=1S/C27H22N4O2/c28-16-20-13-17(2-4-26(20)33-21-7-11-32-12-8-21)22-6-10-30-27-23(22)15-25(31-27)18-1-3-24-19(14-18)5-9-29-24/h1-6,9-10,13-15,21,29H,7-8,11-12H2,(H,30,31)","LARUOSVANYWRFG-UHFFFAOYSA-N",null,32]
["D15494",15081,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276853","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1cccc(CN2CCOCC2)c1","InChI=1S/C30H30N4O3/c31-19-24-17-22(4-5-29(24)37-25-7-12-35-13-8-25)26-6-9-32-30-27(26)18-28(33-30)23-3-1-2-21(16-23)20-34-10-14-36-15-11-34/h1-6,9,16-18,25H,7-8,10-15,20H2,(H,32,33)","HKVLGLZTELKITJ-UHFFFAOYSA-N",null,10.1,{"$nulls":4},7]
["D15495",15437,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276892","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1cccc(c1)N1CCOCC1","InChI=1S/C29H28N4O3/c30-19-22-16-20(4-5-28(22)36-24-7-12-34-13-8-24)25-6-9-31-29-26(25)18-27(32-29)21-2-1-3-23(17-21)33-10-14-35-15-11-33/h1-6,9,16-18,24H,7-8,10-15H2,(H,31,32)","RSUXWNMQQLYBIH-UHFFFAOYSA-N",null,25.5,{"$nulls":4},7]
["D15496",16912,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276897","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1ccccc1","InChI=1S/C25H21N3O2/c26-16-19-14-18(6-7-24(19)30-20-9-12-29-13-10-20)21-8-11-27-25-22(21)15-23(28-25)17-4-2-1-3-5-17/h1-8,11,14-15,20H,9-10,12-13H2,(H,27,28)","BNNPHHKTUPMQED-UHFFFAOYSA-N",null,">1000"]
["D15497",15121,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276821","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1cccnc1","InChI=1S/C24H20N4O2/c25-14-18-12-16(3-4-23(18)30-19-6-10-29-11-7-19)20-5-9-27-24-21(20)13-22(28-24)17-2-1-8-26-15-17/h1-5,8-9,12-13,15,19H,6-7,10-11H2,(H,27,28)","FFZYTQWANYSENM-UHFFFAOYSA-N",null,11.8]
["D15498",15525,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276824","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1cnn(c1)C1CCNCC1","InChI=1S/C27H28N6O2/c28-15-19-13-18(1-2-26(19)35-22-6-11-34-12-7-22)23-5-10-30-27-24(23)14-25(32-27)20-16-31-33(17-20)21-3-8-29-9-4-21/h1-2,5,10,13-14,16-17,21-22,29H,3-4,6-9,11-12H2,(H,30,32)","JHCYMEMCUXVAIR-UHFFFAOYSA-N",null,1.22,{"$nulls":4},7]
["D15499",14561,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276865","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1cnn(c1)C1CCOCC1","InChI=1S/C27H27N5O3/c28-15-19-13-18(1-2-26(19)35-22-6-11-34-12-7-22)23-3-8-29-27-24(23)14-25(31-27)20-16-30-32(17-20)21-4-9-33-10-5-21/h1-3,8,13-14,16-17,21-22H,4-7,9-12H2,(H,29,31)","XKXKAOTUKINWLC-UHFFFAOYSA-N",null,3.54]
["D15500",18275,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276823","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1cnn(c1)C1CNC1","InChI=1S/C25H24N6O2/c26-11-17-9-16(1-2-24(17)33-20-4-7-32-8-5-20)21-3-6-28-25-22(21)10-23(30-25)18-12-29-31(15-18)19-13-27-14-19/h1-3,6,9-10,12,15,19-20,27H,4-5,7-8,13-14H2,(H,28,30)","RQMSNFNMLUFOPR-UHFFFAOYSA-N",null,2.38]
["D15501",14532,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276820","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1cnn(c1)C1COC1","InChI=1S/C25H23N5O3/c26-11-17-9-16(1-2-24(17)33-20-4-7-31-8-5-20)21-3-6-27-25-22(21)10-23(29-25)18-12-28-30(13-18)19-14-32-15-19/h1-3,6,9-10,12-13,19-20H,4-5,7-8,14-15H2,(H,27,29)","VMYWSKHQGSIDJS-UHFFFAOYSA-N",null,3.13]
["D15502",15824,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276849","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)C#CC1CCOCC1","InChI=1S/C26H25N3O3/c27-17-20-15-19(2-4-25(20)32-22-8-13-31-14-9-22)23-5-10-28-26-24(23)16-21(29-26)3-1-18-6-11-30-12-7-18/h2,4-5,10,15-16,18,22H,6-9,11-14H2,(H,28,29)","PNMCLCQZSVIVDN-UHFFFAOYSA-N",null,52.8]
["D15503",16605,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276857","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)C1=CC2CCC1C2","InChI=1S/C26H25N3O2/c27-15-19-13-18(3-4-25(19)31-20-6-9-30-10-7-20)21-5-8-28-26-23(21)14-24(29-26)22-12-16-1-2-17(22)11-16/h3-5,8,12-14,16-17,20H,1-2,6-7,9-11H2,(H,28,29)","RFMSKVQQWRFQGH-UHFFFAOYSA-N",null,434,{"$nulls":4},7]
["D15504",14530,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277003","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)C1=CCC2(CC1)OCCO2","InChI=1S/C27H27N3O4/c28-17-20-15-19(1-2-25(20)34-21-6-11-31-12-7-21)22-5-10-29-26-23(22)16-24(30-26)18-3-8-27(9-4-18)32-13-14-33-27/h1-3,5,10,15-16,21H,4,6-9,11-14H2,(H,29,30)","RFWMIZOXLGRIHV-UHFFFAOYSA-N",null,3.1]
["D15505",14902,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277001","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)C1=CCN(C1)C1COC1","InChI=1S/C26H26N4O3/c27-13-19-11-17(1-2-25(19)33-21-5-9-31-10-6-21)22-3-7-28-26-23(22)12-24(29-26)18-4-8-30(14-18)20-15-32-16-20/h1-4,7,11-12,20-21H,5-6,8-10,14-16H2,(H,28,29)","ZMKGUWFJWSOBOZ-UHFFFAOYSA-N",null,7.81,{"$nulls":4},7]
["D15506",15175,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276851","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)C1=CCNC1","InChI=1S/C23H22N4O2/c24-13-17-11-15(1-2-22(17)29-18-5-9-28-10-6-18)19-4-8-26-23-20(19)12-21(27-23)16-3-7-25-14-16/h1-4,8,11-12,18,25H,5-7,9-10,14H2,(H,26,27)","JSJHGXYXYWXMNC-UHFFFAOYSA-N",null,13.4]
["D15507",15478,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276819","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)C1=CCNCC1","InChI=1S/C24H24N4O2/c25-15-18-13-17(1-2-23(18)30-19-6-11-29-12-7-19)20-5-10-27-24-21(20)14-22(28-24)16-3-8-26-9-4-16/h1-3,5,10,13-14,19,26H,4,6-9,11-12H2,(H,27,28)","JTMNZLVEDRFGHR-UHFFFAOYSA-N",null,29.8]
["D15508",14546,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276817","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)C1=CCOCC1","InChI=1S/C24H23N3O3/c25-15-18-13-17(1-2-23(18)30-19-6-11-29-12-7-19)20-3-8-26-24-21(20)14-22(27-24)16-4-9-28-10-5-16/h1-4,8,13-14,19H,5-7,9-12H2,(H,26,27)","WPWPOCITVIKSCW-UHFFFAOYSA-N",null,3.31]
["D15509",16771,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276864","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)C1CC1","InChI=1S/C22H21N3O2/c23-13-16-11-15(3-4-21(16)27-17-6-9-26-10-7-17)18-5-8-24-22-19(18)12-20(25-22)14-1-2-14/h3-5,8,11-12,14,17H,1-2,6-7,9-10H2,(H,24,25)","WWRBLGBEFCCCCB-UHFFFAOYSA-N",null,651,{"$nulls":4},7]
["D15510",14535,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276928","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(nc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C28H27N5O3/c29-18-21-17-20(3-6-25(21)36-23-8-13-34-14-9-23)24-7-10-30-28-26(24)31-27(32-28)19-1-4-22(5-2-19)33-11-15-35-16-12-33/h1-7,10,17,23H,8-9,11-16H2,(H,30,31,32)","KHMATSWQFNOTBB-UHFFFAOYSA-N",null,3.2]
["D15511",15432,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276931","N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(nc12)-c1cccc(c1)N1CCOCC1","InChI=1S/C28H27N5O3/c29-18-21-16-19(4-5-25(21)36-23-7-12-34-13-8-23)24-6-9-30-28-26(24)31-27(32-28)20-2-1-3-22(17-20)33-10-14-35-15-11-33/h1-6,9,16-17,23H,7-8,10-15H2,(H,30,31,32)","KZSBBJDMPIERRN-UHFFFAOYSA-N",null,25.1,{"$nulls":4},7]
["D15512",16919,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276932","N#Cc1cc(ccc1OC1CCOCC1)-c1cnnc2[nH]c(nc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C27H26N6O3/c28-16-20-15-19(3-6-24(20)36-22-7-11-34-12-8-22)23-17-29-32-27-25(23)30-26(31-27)18-1-4-21(5-2-18)33-9-13-35-14-10-33/h1-6,15,17,22H,7-14H2,(H,30,31,32)","DPXPWVKWLXERIO-UHFFFAOYSA-N",null,">1000"]
["D15513",14728,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277884","N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc(Nc2ccc(Cn3ccnc3)cc2)n1","InChI=1S/C25H23N7O2/c26-14-20-13-19(3-6-23(20)34-22-7-11-33-12-8-22)24-28-16-29-25(31-24)30-21-4-1-18(2-5-21)15-32-10-9-27-17-32/h1-6,9-10,13,16-17,22H,7-8,11-12,15H2,(H,28,29,30,31)","CMQXQMALEDSQQH-UHFFFAOYSA-N",null,5]
["D15514",14508,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277816","N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc(Nc2ccc(N3CCN(CC3)C3COC3)c(c2)C#N)n1","InChI=1S/C29H30N8O3/c30-15-21-14-23(2-3-26(21)37-9-7-36(8-10-37)24-17-39-18-24)34-29-33-19-32-28(35-29)20-1-4-27(22(13-20)16-31)40-25-5-11-38-12-6-25/h1-4,13-14,19,24-25H,5-12,17-18H2,(H,32,33,34,35)","HOBXPHPTXTWGNB-UHFFFAOYSA-N",null,3]
["D15515",15078,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278110","N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc(Nc2ccc(OCCN3CCCC3)cc2)n1","InChI=1S/C27H30N6O3/c28-18-21-17-20(3-8-25(21)36-24-9-14-34-15-10-24)26-29-19-30-27(32-26)31-22-4-6-23(7-5-22)35-16-13-33-11-1-2-12-33/h3-8,17,19,24H,1-2,9-16H2,(H,29,30,31,32)","KRCXSXIRZJARBO-UHFFFAOYSA-N",null,10]
["D15516",17115,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277832","N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc(Nc2ccc(cc2)C2CCN(CC2)C2COC2)n1","InChI=1S/C29H32N6O3/c30-16-23-15-22(3-6-27(23)38-26-9-13-36-14-10-26)28-31-19-32-29(34-28)33-24-4-1-20(2-5-24)21-7-11-35(12-8-21)25-17-37-18-25/h1-6,15,19,21,25-26H,7-14,17-18H2,(H,31,32,33,34)","FNPIJCTUNTWVDI-UHFFFAOYSA-N",null,2000,{"$nulls":4},7]
["D15517",17106,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277845","N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H31N7O3/c29-16-21-15-20(1-6-26(21)38-25-7-13-36-14-8-25)27-30-19-31-28(33-27)32-22-2-4-23(5-3-22)34-9-11-35(12-10-34)24-17-37-18-24/h1-6,15,19,24-25H,7-14,17-18H2,(H,30,31,32,33)","QYQFLAQHGHBIFA-UHFFFAOYSA-N",null,2000,{"$nulls":4},7]
["D15518",14986,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277796","N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc(Nc2ccc(cc2)N2CCNCC2)n1","InChI=1S/C25H27N7O2/c26-16-19-15-18(1-6-23(19)34-22-7-13-33-14-8-22)24-28-17-29-25(31-24)30-20-2-4-21(5-3-20)32-11-9-27-10-12-32/h1-6,15,17,22,27H,7-14H2,(H,28,29,30,31)","MKPAJKBXILTWME-UHFFFAOYSA-N",null,1]
["D15519",17114,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277827","N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc(Nc2ccc(cc2)N2CCOCC2)n1","InChI=1S/C25H26N6O3/c26-16-19-15-18(1-6-23(19)34-22-7-11-32-12-8-22)24-27-17-28-25(30-24)29-20-2-4-21(5-3-20)31-9-13-33-14-10-31/h1-6,15,17,22H,7-14H2,(H,27,28,29,30)","VDGKOIPYHFEOJL-UHFFFAOYSA-N",null,2000,{"$nulls":4},7]
["D15520",14883,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277821","N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc(Nc2ccc(nc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C27H30N8O3/c28-14-20-13-19(1-3-24(20)38-23-5-11-36-12-6-23)26-30-18-31-27(33-26)32-21-2-4-25(29-15-21)35-9-7-34(8-10-35)22-16-37-17-22/h1-4,13,15,18,22-23H,5-12,16-17H2,(H,30,31,32,33)","PQVPIJFBUFHXCN-UHFFFAOYSA-N",null,7]
["D15521",14811,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277847","N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc(Nc2cccc(c2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H31N7O3/c29-16-21-14-20(4-5-26(21)38-25-6-12-36-13-7-25)27-30-19-31-28(33-27)32-22-2-1-3-23(15-22)34-8-10-35(11-9-34)24-17-37-18-24/h1-5,14-15,19,24-25H,6-13,17-18H2,(H,30,31,32,33)","BCWYUBHSQSCBFH-UHFFFAOYSA-N",null,6]
["D15522",14620,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277841","N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc(Nc2cccc(c2)N2CCOCC2)n1","InChI=1S/C25H26N6O3/c26-16-19-14-18(4-5-23(19)34-22-6-10-32-11-7-22)24-27-17-28-25(30-24)29-20-2-1-3-21(15-20)31-8-12-33-13-9-31/h1-5,14-15,17,22H,6-13H2,(H,27,28,29,30)","AYYWOVUIQSBYDE-UHFFFAOYSA-N",null,4]
["D15523",14931,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277857","N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc(Nc2ccccc2)n1","InChI=1S/C21H19N5O2/c22-13-16-12-15(6-7-19(16)28-18-8-10-27-11-9-18)20-23-14-24-21(26-20)25-17-4-2-1-3-5-17/h1-7,12,14,18H,8-11H2,(H,23,24,25,26)","XUCZHDZTLMJKOG-UHFFFAOYSA-N",null,8]
["D15524",16490,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277017","N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc2[nH]c(Nc3cccc(c3)N3CCOCC3)nc12","InChI=1S/C27H27N7O3/c28-16-19-14-18(4-5-23(19)37-22-6-10-35-11-7-22)24-25-26(30-17-29-24)33-27(32-25)31-20-2-1-3-21(15-20)34-8-12-36-13-9-34/h1-5,14-15,17,22H,6-13H2,(H2,29,30,31,32,33)","FJJRVGSILLVPKU-UHFFFAOYSA-N",null,298]
["D15525",14751,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276938","N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc2[nH]c(cc12)-c1ccc(Cn2ccnc2)cc1","InChI=1S/C28H24N6O2/c29-15-22-13-21(5-6-26(22)36-23-7-11-35-12-8-23)27-24-14-25(33-28(24)32-17-31-27)20-3-1-19(2-4-20)16-34-10-9-30-18-34/h1-6,9-10,13-14,17-18,23H,7-8,11-12,16H2,(H,31,32,33)","FVLDQJNJSJKSKE-UHFFFAOYSA-N",null,5.13]
["D15526",15529,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277034","N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc2[nH]c(cc12)-c1ccc(OCCN2CCCC2)cc1","InChI=1S/C30H31N5O3/c31-19-23-17-22(5-8-28(23)38-25-9-14-36-15-10-25)29-26-18-27(34-30(26)33-20-32-29)21-3-6-24(7-4-21)37-16-13-35-11-1-2-12-35/h3-8,17-18,20,25H,1-2,9-16H2,(H,32,33,34)","ZULNHRNAEOVNJO-UHFFFAOYSA-N",null,1.24]
["D15527",14453,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276906","N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCN(CC1)C1COC1","InChI=1S/C31H32N6O3/c32-17-23-15-22(3-6-29(23)40-26-7-13-38-14-8-26)30-27-16-28(35-31(27)34-20-33-30)21-1-4-24(5-2-21)36-9-11-37(12-10-36)25-18-39-19-25/h1-6,15-16,20,25-26H,7-14,18-19H2,(H,33,34,35)","VTFLJJLOSAPRCG-UHFFFAOYSA-N",null,0.87]
["D15528",14435,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277023","N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCNCC1","InChI=1S/C28H28N6O2/c29-17-21-15-20(3-6-26(21)36-23-7-13-35-14-8-23)27-24-16-25(33-28(24)32-18-31-27)19-1-4-22(5-2-19)34-11-9-30-10-12-34/h1-6,15-16,18,23,30H,7-14H2,(H,31,32,33)","ZAHYSYZXWNPQBI-UHFFFAOYSA-N",null,0.644,{"$nulls":4},7]
["D15529",16088,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276902","N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C28H27N5O3/c29-17-21-15-20(3-6-26(21)36-23-7-11-34-12-8-23)27-24-16-25(32-28(24)31-18-30-27)19-1-4-22(5-2-19)33-9-13-35-14-10-33/h1-6,15-16,18,23H,7-14H2,(H,30,31,32)","KBAJEJRIUHJWTK-UHFFFAOYSA-N",null,1.72]
["D15530",14679,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276979","N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc2[nH]c(cc12)-c1ccc(nc1)N1CCOCC1","InChI=1S/C27H26N6O3/c28-15-20-13-18(1-3-24(20)36-21-5-9-34-10-6-21)26-22-14-23(32-27(22)31-17-30-26)19-2-4-25(29-16-19)33-7-11-35-12-8-33/h1-4,13-14,16-17,21H,5-12H2,(H,30,31,32)","TXJYLNPKESJZSD-UHFFFAOYSA-N",null,4.39,{"$nulls":4},7]
["D15531",14749,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277014","N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc2[nH]c(cc12)-c1ccc2OCCNc2c1","InChI=1S/C26H23N5O3/c27-14-18-11-17(2-3-23(18)34-19-5-8-32-9-6-19)25-20-13-21(31-26(20)30-15-29-25)16-1-4-24-22(12-16)28-7-10-33-24/h1-4,11-13,15,19,28H,5-10H2,(H,29,30,31)","RNJBPIVRBMZSMD-UHFFFAOYSA-N",null,5.09]
["D15532",15527,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276943","N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc2[nH]c(cc12)-c1cccc(Cn2ccnc2)c1","InChI=1S/C28H24N6O2/c29-15-22-13-21(4-5-26(22)36-23-6-10-35-11-7-23)27-24-14-25(33-28(24)32-17-31-27)20-3-1-2-19(12-20)16-34-9-8-30-18-34/h1-5,8-9,12-14,17-18,23H,6-7,10-11,16H2,(H,31,32,33)","HSLJCXAGEGDBAU-UHFFFAOYSA-N",null,1.23]
["D15533",18290,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276904","N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc2[nH]c(cc12)-c1cccc(c1)N1CCOCC1","InChI=1S/C28H27N5O3/c29-17-21-14-20(4-5-26(21)36-23-6-10-34-11-7-23)27-24-16-25(32-28(24)31-18-30-27)19-2-1-3-22(15-19)33-8-12-35-13-9-33/h1-5,14-16,18,23H,6-13H2,(H,30,31,32)","CQWNYIBDCMZITR-UHFFFAOYSA-N",null,2.63,{"$nulls":4},7]
["D15534",14677,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277012","N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc2[nH]c(cc12)-c1cnc2OCCNc2c1","InChI=1S/C25H22N6O3/c26-12-16-9-15(1-2-22(16)34-18-3-6-32-7-4-18)23-19-11-20(31-24(19)30-14-29-23)17-10-21-25(28-13-17)33-8-5-27-21/h1-2,9-11,13-14,18,27H,3-8H2,(H,29,30,31)","XOEXSVADUVFQRN-UHFFFAOYSA-N",null,4.36]
["D15535",14554,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277060","N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc2[nH]c(nc12)-c1ccc(CN2CCOCC2)cc1","InChI=1S/C28H28N6O3/c29-16-22-15-21(5-6-24(22)37-23-7-11-35-12-8-23)25-26-28(31-18-30-25)33-27(32-26)20-3-1-19(2-4-20)17-34-9-13-36-14-10-34/h1-6,15,18,23H,7-14,17H2,(H,30,31,32,33)","LDRHKGHHXJWLJD-UHFFFAOYSA-N",null,3.34]
["D15536",14682,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277040","N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc2[nH]c(nc12)-c1ccc(cc1)N1CCN(CC1)C1COC1","InChI=1S/C30H31N7O3/c31-16-22-15-21(3-6-26(22)40-25-7-13-38-14-8-25)27-28-30(33-19-32-27)35-29(34-28)20-1-4-23(5-2-20)36-9-11-37(12-10-36)24-17-39-18-24/h1-6,15,19,24-25H,7-14,17-18H2,(H,32,33,34,35)","LZOUJBLQAAEDKK-UHFFFAOYSA-N",null,4.49,{"$nulls":4},7]
["D15537",14497,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276910","N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc2[nH]c(nc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C27H26N6O3/c28-16-20-15-19(3-6-23(20)36-22-7-11-34-12-8-22)24-25-27(30-17-29-24)32-26(31-25)18-1-4-21(5-2-18)33-9-13-35-14-10-33/h1-6,15,17,22H,7-14H2,(H,29,30,31,32)","MNVAEWLOKWWMMX-UHFFFAOYSA-N",null,3,{"$nulls":4},7]
["D15538",15115,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277051","N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc2[nH]c(nc12)-c1ccc(nc1)N1CCOCC1","InChI=1S/C26H25N7O3/c27-14-19-13-17(1-3-21(19)36-20-5-9-34-10-6-20)23-24-26(30-16-29-23)32-25(31-24)18-2-4-22(28-15-18)33-7-11-35-12-8-33/h1-4,13,15-16,20H,5-12H2,(H,29,30,31,32)","WVQCAVLGAOTNQE-UHFFFAOYSA-N",null,11.6]
["D15539",15048,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276920","N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc2[nH]c(nc12)-c1cccc(c1)N1CCOCC1","InChI=1S/C27H26N6O3/c28-16-20-14-18(4-5-23(20)36-22-6-10-34-11-7-22)24-25-27(30-17-29-24)32-26(31-25)19-2-1-3-21(15-19)33-8-12-35-13-9-33/h1-5,14-15,17,22H,6-13H2,(H,29,30,31,32)","ASPZHEBURRROFC-UHFFFAOYSA-N",null,9.57]
["D15540",17016,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276909","N#Cc1cc(ccc1OC1CCOCC1)-c1ncnc2[nH]ccc12","InChI=1S/C18H16N4O2/c19-10-13-9-12(17-15-3-6-20-18(15)22-11-21-17)1-2-16(13)24-14-4-7-23-8-5-14/h1-3,6,9,11,14H,4-5,7-8H2,(H,20,21,22)","SIWIWGFEIYEGDB-UHFFFAOYSA-N",null,1409]
["D15541",14967,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277797","N#Cc1cc(ccc1OC1CCSCC1)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H31N7O2S/c29-16-21-15-20(1-6-26(21)37-25-7-13-38-14-8-25)27-30-19-31-28(33-27)32-22-2-4-23(5-3-22)34-9-11-35(12-10-34)24-17-36-18-24/h1-6,15,19,24-25H,7-14,17-18H2,(H,30,31,32,33)","FZMMJNLJNZOLSA-UHFFFAOYSA-N",null,1]
["D15542",15036,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277043","N#Cc1cc(ccc1OC1COC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C27H24N4O3/c28-15-20-13-19(3-6-26(20)34-22-16-33-17-22)23-7-8-29-27-24(23)14-25(30-27)18-1-4-21(5-2-18)31-9-11-32-12-10-31/h1-8,13-14,22H,9-12,16-17H2,(H,29,30)","PTPHZSMLLCHKQD-UHFFFAOYSA-N",null,9.27]
["D15543",15686,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277783","N#Cc1cc(ccc1OC1COC1)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C26H27N7O3/c27-12-19-11-18(1-6-24(19)36-23-15-35-16-23)25-28-17-29-26(31-25)30-20-2-4-21(5-3-20)32-7-9-33(10-8-32)22-13-34-14-22/h1-6,11,17,22-23H,7-10,13-16H2,(H,28,29,30,31)","UXLOEEJTYMNRBG-UHFFFAOYSA-N",null,35]
["D15544",15424,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278269","N#Cc1cc(ccc1OCC1(COC1)C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H28N8O3/c29-12-21-11-20(1-6-25(21)39-18-28(15-30)16-38-17-28)26-31-19-32-27(34-26)33-22-2-4-23(5-3-22)35-7-9-36(10-8-35)24-13-37-14-24/h1-6,11,19,24H,7-10,13-14,16-18H2,(H,31,32,33,34)","UYDVHXQLLJQDMQ-UHFFFAOYSA-N",null,25]
["D15545",15404,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144172","N#Cc1cc(ccc1OCC1CC1)-c1ccnc(Nc2ccc(cn2)N2CCOCC2)c1","InChI=1S/C25H25N5O2/c26-15-21-13-19(3-5-23(21)32-17-18-1-2-18)20-7-8-27-25(14-20)29-24-6-4-22(16-28-24)30-9-11-31-12-10-30/h3-8,13-14,16,18H,1-2,9-12,17H2,(H,27,28,29)","WPPGTNKIMPNPSA-UHFFFAOYSA-N",null,23,{"$nulls":4},7.5,"30.00 C"]
["D15546",16671,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144168","N#Cc1cc(ccc1OCC1CC1)-c1ccnc(Nc2cn[nH]c2)c1","InChI=1S/C19H17N5O/c20-9-16-7-14(3-4-18(16)25-12-13-1-2-13)15-5-6-21-19(8-15)24-17-10-22-23-11-17/h3-8,10-11,13H,1-2,12H2,(H,21,24)(H,22,23)","VWWBXTRZUJUTHA-UHFFFAOYSA-N",null,460,{"$nulls":4},7.5,"30.00 C"]
["D15547",15296,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276894","N#Cc1cc(ccc1OCC1CC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C28H26N4O2/c29-17-22-15-21(5-8-27(22)34-18-19-1-2-19)24-9-10-30-28-25(24)16-26(31-28)20-3-6-23(7-4-20)32-11-13-33-14-12-32/h3-10,15-16,19H,1-2,11-14,18H2,(H,30,31)","MFXFIHHJKXXHQH-UHFFFAOYSA-N",null,16.8,{"$nulls":4},7]
["D15548",15762,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276924","N#Cc1cc(ccc1OCC1CC1)-c1ccnc2[nH]c(nc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C27H25N5O2/c28-16-21-15-20(5-8-24(21)34-17-18-1-2-18)23-9-10-29-27-25(23)30-26(31-27)19-3-6-22(7-4-19)32-11-13-33-14-12-32/h3-10,15,18H,1-2,11-14,17H2,(H,29,30,31)","AELZCUGNQVZWSR-UHFFFAOYSA-N",null,43.5,{"$nulls":4},7]
["D15549",17118,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277836","N#Cc1cc(ccc1OCC1CC1)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C27H29N7O2/c28-14-21-13-20(3-8-25(21)36-15-19-1-2-19)26-29-18-30-27(32-26)31-22-4-6-23(7-5-22)33-9-11-34(12-10-33)24-16-35-17-24/h3-8,13,18-19,24H,1-2,9-12,15-17H2,(H,29,30,31,32)","RHFARVYVYPBJKG-UHFFFAOYSA-N",null,2000,{"$nulls":4},7]
["D15550",14777,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276962","N#Cc1cc(ccc1OCC1CC1)-c1ncnc2[nH]c(cc12)-c1ccc(OCCN2CCCC2)cc1","InChI=1S/C29H29N5O2/c30-17-23-15-22(7-10-27(23)36-18-20-3-4-20)28-25-16-26(33-29(25)32-19-31-28)21-5-8-24(9-6-21)35-14-13-34-11-1-2-12-34/h5-10,15-16,19-20H,1-4,11-14,18H2,(H,31,32,33)","XNQOGRKQAFZETL-UHFFFAOYSA-N",null,5.88,{"$nulls":4},7]
["D15551",16913,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276903","N#Cc1cc(ccc1OCC1CC1)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C27H25N5O2/c28-15-21-13-20(5-8-25(21)34-16-18-1-2-18)26-23-14-24(31-27(23)30-17-29-26)19-3-6-22(7-4-19)32-9-11-33-12-10-32/h3-8,13-14,17-18H,1-2,9-12,16H2,(H,29,30,31)","CHFMPBBBXUENBW-UHFFFAOYSA-N",null,">1000"]
["D15552",16914,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276911","N#Cc1cc(ccc1OCC1CC1)-c1ncnc2[nH]c(nc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C26H24N6O2/c27-14-20-13-19(5-8-22(20)34-15-17-1-2-17)23-24-26(29-16-28-23)31-25(30-24)18-3-6-21(7-4-18)32-9-11-33-12-10-32/h3-8,13,16-17H,1-2,9-12,15H2,(H,28,29,30,31)","SHDZGHXBWLMOLJ-UHFFFAOYSA-N",null,">1000"]
["D15553",16564,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144173","N#Cc1cc(ccc1OCC1CCC1)-c1ccnc(Nc2cn[nH]c2)c1","InChI=1S/C20H19N5O/c21-10-17-8-15(4-5-19(17)26-13-14-2-1-3-14)16-6-7-22-20(9-16)25-18-11-23-24-12-18/h4-9,11-12,14H,1-3,13H2,(H,22,25)(H,23,24)","RTLYKZQELDVJNY-UHFFFAOYSA-N",null,380,{"$nulls":4},7.5,"30.00 C"]
["D15554",14631,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278063","N#Cc1cc(ccc1OCC1CCOCC1)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C29H33N7O3/c30-16-23-15-22(1-6-27(23)39-17-21-7-13-37-14-8-21)28-31-20-32-29(34-28)33-24-2-4-25(5-3-24)35-9-11-36(12-10-35)26-18-38-19-26/h1-6,15,20-21,26H,7-14,17-19H2,(H,31,32,33,34)","SGTWHEXKFHGUGQ-UHFFFAOYSA-N",null,4]
["D15555",16909,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278388","N#Cc1cc(ccc1OCCc1c[nH]c2ccccc12)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C33H32N8O2/c34-18-25-17-23(5-10-31(25)43-16-11-24-19-35-30-4-2-1-3-29(24)30)32-36-22-37-33(39-32)38-26-6-8-27(9-7-26)40-12-14-41(15-13-40)28-20-42-21-28/h1-10,17,19,22,28,35H,11-16,20-21H2,(H,36,37,38,39)","OOLXUXAREFXNFR-UHFFFAOYSA-N",null,1000]
["D15556",15711,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278377","N#Cc1cc(ccc1OCCc1cnc2ncnn2c1)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C30H29N11O2/c31-14-23-13-22(1-6-27(23)43-12-7-21-15-32-30-35-20-36-41(30)16-21)28-33-19-34-29(38-28)37-24-2-4-25(5-3-24)39-8-10-40(11-9-39)26-17-42-18-26/h1-6,13,15-16,19-20,26H,7-12,17-18H2,(H,33,34,37,38)","SVKZEEIJQFYWLR-UHFFFAOYSA-N",null,37]
["D15557",15385,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278370","N#Cc1cc(ccc1OCCn1ccnc1)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H29N9O2/c29-16-22-15-21(1-6-26(22)39-14-13-35-8-7-30-20-35)27-31-19-32-28(34-27)33-23-2-4-24(5-3-23)36-9-11-37(12-10-36)25-17-38-18-25/h1-8,15,19-20,25H,9-14,17-18H2,(H,31,32,33,34)","JFMREIRHCBBTQN-UHFFFAOYSA-N",null,21]
["D15558",15448,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276901","N#Cc1cc(ccc1O[C@@H]1CCN(C1)C1COC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C31H31N5O3/c32-17-23-15-22(3-6-30(23)39-26-8-10-36(18-26)25-19-38-20-25)27-7-9-33-31-28(27)16-29(34-31)21-1-4-24(5-2-21)35-11-13-37-14-12-35/h1-7,9,15-16,25-26H,8,10-14,18-20H2,(H,33,34)/t26-/m1/s1","GBQRTHQEBGBEAV-AREMUKBSSA-N",null,26.8]
["D15559",14863,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276828","N#Cc1cc(ccc1O[C@@H]1CCNC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C28H27N5O2/c29-17-21-15-20(3-6-27(21)35-23-7-9-30-18-23)24-8-10-31-28-25(24)16-26(32-28)19-1-4-22(5-2-19)33-11-13-34-14-12-33/h1-6,8,10,15-16,23,30H,7,9,11-14,18H2,(H,31,32)/t23-/m1/s1","GYAMWFQCVNHHRK-HSZRJFAPSA-N",null,6.86,{"$nulls":4},7]
["D15560",15311,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277018","N#Cc1cc(ccc1O[C@@H]1CCNC1)-c1ccnc2[nH]c(nc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C27H26N6O2/c28-16-20-15-19(3-6-24(20)35-22-7-9-29-17-22)23-8-10-30-27-25(23)31-26(32-27)18-1-4-21(5-2-18)33-11-13-34-14-12-33/h1-6,8,10,15,22,29H,7,9,11-14,17H2,(H,30,31,32)/t22-/m1/s1","RMHDYFFXPZPFPN-JOCHJYFZSA-N",null,17.7]
["D15561",15512,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277871","N#Cc1cc(ccc1O[C@@H]1CCNC1)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C27H30N8O2/c28-14-20-13-19(1-6-25(20)37-24-7-8-29-15-24)26-30-18-31-27(33-26)32-21-2-4-22(5-3-21)34-9-11-35(12-10-34)23-16-36-17-23/h1-6,13,18,23-24,29H,7-12,15-17H2,(H,30,31,32,33)/t24-/m1/s1","DGRUFDJJCQOGOH-XMMPIXPASA-N",null,30]
["D15562",15342,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277858","N#Cc1cc(ccc1O[C@@H]1CCNC1)-c1ncnc(Nc2ccc(cc2)N2CCOCC2)n1","InChI=1S/C24H25N7O2/c25-14-18-13-17(1-6-22(18)33-21-7-8-26-15-21)23-27-16-28-24(30-23)29-19-2-4-20(5-3-19)31-9-11-32-12-10-31/h1-6,13,16,21,26H,7-12,15H2,(H,27,28,29,30)/t21-/m1/s1","GCHCBFCSJKWUFU-OAQYLSRUSA-N",null,19]
["D15563",15991,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277860","N#Cc1cc(ccc1O[C@@H]1CCNC1)-c1ncnc(Nc2cccc(c2)N2CCOCC2)n1","InChI=1S/C24H25N7O2/c25-14-18-12-17(4-5-22(18)33-21-6-7-26-15-21)23-27-16-28-24(30-23)29-19-2-1-3-20(13-19)31-8-10-32-11-9-31/h1-5,12-13,16,21,26H,6-11,15H2,(H,27,28,29,30)/t21-/m1/s1","GUJCSPVLKMVZMJ-OAQYLSRUSA-N",null,94]
["D15564",14703,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276907","N#Cc1cc(ccc1O[C@@H]1CCNC1)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C27H26N6O2/c28-15-20-13-19(3-6-25(20)35-22-7-8-29-16-22)26-23-14-24(32-27(23)31-17-30-26)18-1-4-21(5-2-18)33-9-11-34-12-10-33/h1-6,13-14,17,22,29H,7-12,16H2,(H,30,31,32)/t22-/m1/s1","YQLFFTPNFMBUHR-JOCHJYFZSA-N",null,4.94,{"$nulls":4},7]
["D15565",15272,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276916","N#Cc1cc(ccc1O[C@@H]1CCNC1)-c1ncnc2[nH]c(nc12)-c1ccc(cc1)N1CCOCC1",{"$nulls":3},15.8]
["D15566",17511,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277807","N#Cc1cc(ccc1O[C@@H]1CCOC1)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C27H29N7O3/c28-14-20-13-19(1-6-25(20)37-24-7-12-35-17-24)26-29-18-30-27(32-26)31-21-2-4-22(5-3-21)33-8-10-34(11-9-33)23-15-36-16-23/h1-6,13,18,23-24H,7-12,15-17H2,(H,29,30,31,32)/t24-/m1/s1","BIXRKPUKMMJCGM-XMMPIXPASA-N",null,5000,{"$nulls":4},7]
["D15567",15728,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276836","N#Cc1cc(ccc1O[C@H]1CCNC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C28H27N5O2/c29-17-21-15-20(3-6-27(21)35-23-7-9-30-18-23)24-8-10-31-28-25(24)16-26(32-28)19-1-4-22(5-2-19)33-11-13-34-14-12-33/h1-6,8,10,15-16,23,30H,7,9,11-14,18H2,(H,31,32)/t23-/m0/s1","GYAMWFQCVNHHRK-QHCPKHFHSA-N",null,39.6]
["D15568",15169,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277994","N#Cc1cc(ccc1O[C@H]1CCOC1)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C27H29N7O3/c28-14-20-13-19(1-6-25(20)37-24-7-12-35-17-24)26-29-18-30-27(32-26)31-21-2-4-22(5-3-21)33-8-10-34(11-9-33)23-15-36-16-23/h1-6,13,18,23-24H,7-12,15-17H2,(H,29,30,31,32)/t24-/m0/s1","BIXRKPUKMMJCGM-DEOSSOPVSA-N",null,13]
["D15569",16026,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245995","N#Cc1cc(cnc1N1CCC2(COC2)C1)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1","InChI=1S/C26H28N8O2/c27-12-19-11-20(13-30-24(19)34-6-4-26(16-34)17-36-18-26)23-3-5-28-25(32-23)31-21-1-2-22(29-14-21)15-33-7-9-35-10-8-33/h1-3,5,11,13-14H,4,6-10,15-18H2,(H,28,31,32)","UAOPNFWYMCGENQ-UHFFFAOYSA-N",null,"<100",{"$nulls":4},7.5]
["D15570",15234,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245933","N#Cc1cc(cnc1N1CCCC1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1","InChI=1S/C24H25N7O/c25-16-18-15-19(17-27-23(18)31-9-1-2-10-31)22-7-8-26-24(29-22)28-20-3-5-21(6-4-20)30-11-13-32-14-12-30/h3-8,15,17H,1-2,9-14H2,(H,26,28,29)","NTVRZMSHMBBBMO-UHFFFAOYSA-N",null,"<15",{"$nulls":4},7.5]
["D15571",16059,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245987","N#Cc1cc(cnc1N1CCCOCC1)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1","InChI=1S/C25H28N8O2/c26-15-19-14-20(16-29-24(19)33-6-1-10-34-13-9-33)23-4-5-27-25(31-23)30-21-2-3-22(28-17-21)18-32-7-11-35-12-8-32/h2-5,14,16-17H,1,6-13,18H2,(H,27,30,31)","CQZVGPPIOXQGTD-UHFFFAOYSA-N",null,"<100",{"$nulls":4},7.5]
["D15572",16039,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246025","N#Cc1cc(cnc1NC1CC1)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1","InChI=1S/C23H24N8O/c24-12-16-11-17(13-27-22(16)28-18-1-2-18)21-5-6-25-23(30-21)29-19-3-4-20(26-14-19)15-31-7-9-32-10-8-31/h3-6,11,13-14,18H,1-2,7-10,15H2,(H,27,28)(H,25,29,30)","GQXFQXLTQCMKFV-UHFFFAOYSA-N",null,"<100",{"$nulls":4},7.5]
["D15573",16008,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246068","N#Cc1cc(cnc1NC1CCCC1)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1","InChI=1S/C25H28N8O/c26-14-18-13-19(15-29-24(18)30-20-3-1-2-4-20)23-7-8-27-25(32-23)31-21-5-6-22(28-16-21)17-33-9-11-34-12-10-33/h5-8,13,15-16,20H,1-4,9-12,17H2,(H,29,30)(H,27,31,32)","VYXJBNDKQCYINK-UHFFFAOYSA-N",null,"<100",{"$nulls":4},7.5]
["D15574",16007,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246067","N#Cc1cc(cnc1NCC1CCOC1)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1","InChI=1S/C25H28N8O2/c26-12-19-11-20(14-30-24(19)29-13-18-4-8-35-17-18)23-3-5-27-25(32-23)31-21-1-2-22(28-15-21)16-33-6-9-34-10-7-33/h1-3,5,11,14-15,18H,4,6-10,13,16-17H2,(H,29,30)(H,27,31,32)","FMVPNFXYIVDSBJ-UHFFFAOYSA-N",null,"<100",{"$nulls":4},7.5]
["D15575",15207,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276843","N#Cc1cc(cnc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C28H27N5O3/c29-17-20-15-21(18-31-28(20)36-23-6-11-34-12-7-23)24-5-8-30-27-25(24)16-26(32-27)19-1-3-22(4-2-19)33-9-13-35-14-10-33/h1-5,8,15-16,18,23H,6-7,9-14H2,(H,30,32)","APYIBPBZHUZEGD-UHFFFAOYSA-N",null,14.8,{"$nulls":4},7]
["D15576",14557,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276840","N#Cc1cc(ncc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C28H27N5O3/c29-17-20-15-26(31-18-27(20)36-22-6-11-34-12-7-22)23-5-8-30-28-24(23)16-25(32-28)19-1-3-21(4-2-19)33-9-13-35-14-10-33/h1-5,8,15-16,18,22H,6-7,9-14H2,(H,30,32)","DANKMWRSVSUNBR-UHFFFAOYSA-N",null,3.43]
["D15577",11837,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42990","N#Cc1cc2CCCc2nc1SCc1ccccc1","InChI=1S/C16H14N2S/c17-10-14-9-13-7-4-8-15(13)18-16(14)19-11-12-5-2-1-3-6-12/h1-3,5-6,9H,4,7-8,11H2","XKCTWSPTFNMSQW-UHFFFAOYSA-N",{"$nulls":3},56640]
["D15578",16923,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276971","N#Cc1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C20H16N4O2/c21-11-14-9-13(1-2-19(14)26-16-4-7-25-8-5-16)17-3-6-23-20-18(17)10-15(12-22)24-20/h1-3,6,9-10,16H,4-5,7-8H2,(H,23,24)","MRUJTDMRVPXECC-UHFFFAOYSA-N",null,1000]
["D15579",16437,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144188","N#Cc1ccc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)nc1","InChI=1S/C23H19N5O2/c24-13-16-1-4-22(27-15-16)28-23-12-18(5-8-26-23)17-2-3-21(19(11-17)14-25)30-20-6-9-29-10-7-20/h1-5,8,11-12,15,20H,6-7,9-10H2,(H,26,27,28)","NLPNLVFDNONUOB-UHFFFAOYSA-N",null,250,{"$nulls":4},7.5,"30.00 C"]
["D15580",15463,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276893","N#Cc1cccc(c1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C24H20N4O/c25-16-17-2-1-3-19(14-17)21-8-9-26-24-22(21)15-23(27-24)18-4-6-20(7-5-18)28-10-12-29-13-11-28/h1-9,14-15H,10-13H2,(H,26,27)","BBHAAMFWDBDHHY-UHFFFAOYSA-N",null,28.2]
["D15581",16955,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277993","N#Cc1cccc(c1)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C23H23N7O/c24-13-17-2-1-3-18(12-17)22-25-16-26-23(28-22)27-19-4-6-20(7-5-19)29-8-10-30(11-9-29)21-14-31-15-21/h1-7,12,16,21H,8-11,14-15H2,(H,25,26,27,28)","KAFOVKLSWXRVCT-UHFFFAOYSA-N",null,1000]
["D15582",15622,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246089","N#Cc1nc(ccc1N1CCC2(COC2)C1)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1","InChI=1S/C26H28N8O2/c27-13-23-24(34-8-6-26(16-34)17-36-18-26)4-3-21(31-23)22-5-7-28-25(32-22)30-19-1-2-20(29-14-19)15-33-9-11-35-12-10-33/h1-5,7,14H,6,8-12,15-18H2,(H,28,30,32)","ZCPVZDLXGHBHFB-UHFFFAOYSA-N",null,"<30",{"$nulls":4},7.5]
["D15583",15225,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246072","N#Cc1nc(ccc1N1CCCC1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1","InChI=1S/C24H25N7O/c25-17-22-23(31-11-1-2-12-31)8-7-20(28-22)21-9-10-26-24(29-21)27-18-3-5-19(6-4-18)30-13-15-32-16-14-30/h3-10H,1-2,11-16H2,(H,26,27,29)","MNFUPTZNXIHFBU-UHFFFAOYSA-N",null,"<15",{"$nulls":4},7.5]
["D15584",16014,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246088","N#Cc1nc(ccc1N1CCCOCC1)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1","InChI=1S/C25H28N8O2/c26-16-23-24(33-8-1-12-34-15-11-33)5-4-21(30-23)22-6-7-27-25(31-22)29-19-2-3-20(28-17-19)18-32-9-13-35-14-10-32/h2-7,17H,1,8-15,18H2,(H,27,29,31)","JDBGDDASGUFFTO-UHFFFAOYSA-N",null,"<100",{"$nulls":4},7.5]
["D15585",14585,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276900","N#Cc1nc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C28H27N5O3/c29-18-26-27(36-21-8-13-34-14-9-21)6-5-24(31-26)22-7-10-30-28-23(22)17-25(32-28)19-1-3-20(4-2-19)33-11-15-35-16-12-33/h1-7,10,17,21H,8-9,11-16H2,(H,30,32)","FYGHOLYLPHNURJ-UHFFFAOYSA-N",null,3.89]
["D15586",15033,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276927","N#Cc1nc(ccc1OC1CCOCC1)-c1ccnc2[nH]c(nc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C27H26N6O3/c28-17-23-24(36-20-8-13-34-14-9-20)6-5-22(30-23)21-7-10-29-27-25(21)31-26(32-27)18-1-3-19(4-2-18)33-11-15-35-16-12-33/h1-7,10,20H,8-9,11-16H2,(H,29,31,32)","GTWRIZZOBQZENQ-UHFFFAOYSA-N",null,9.25]
["D15587",28466,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50264074","N(c1nc(cs1)-c1ccccc1)c1ccccc1","InChI=1S/C15H12N2S/c1-3-7-12(8-4-1)14-11-18-15(17-14)16-13-9-5-2-6-10-13/h1-11H,(H,16,17)","FAXWKQAPUYLLPC-UHFFFAOYSA-N",null,">30000"]
["D15588",28465,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50264073","N(c1nc(cs1)-c1ccccn1)c1ccccc1","InChI=1S/C14H11N3S/c1-2-6-11(7-3-1)16-14-17-13(10-18-14)12-8-4-5-9-15-12/h1-10H,(H,16,17)","VZHGZKUEVAANEJ-UHFFFAOYSA-N",null,">30000"]
["D15589",28433,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50264020","N(c1nc(cs1)-c1ccccn1)c1ccccn1","InChI=1S/C13H10N4S/c1-3-7-14-10(5-1)11-9-18-13(16-11)17-12-6-2-4-8-15-12/h1-9H,(H,15,16,17)","RYCUBTFYRLAMFA-UHFFFAOYSA-N",null,25]
["D15590",28472,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50264021","N(c1nc(cs1)-c1ccccn1)c1ccncc1","InChI=1S/C13H10N4S/c1-2-6-15-11(3-1)12-9-18-13(17-12)16-10-4-7-14-8-5-10/h1-9H,(H,14,16,17)","KRUIVFJOWFQMLT-UHFFFAOYSA-N",null,">30000"]
["D15591",28468,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50264076","N(c1nc(cs1)-c1ccccn1)c1ncccn1","InChI=1S/C12H9N5S/c1-2-5-13-9(4-1)10-8-18-12(16-10)17-11-14-6-3-7-15-11/h1-8H,(H,14,15,16,17)","QAINFPRHEISSOY-UHFFFAOYSA-N",null,">30000"]
["D15592",28462,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50264070","N(c1nc(cs1)-c1cccnc1)c1ccccn1","InChI=1S/C13H10N4S/c1-2-7-15-12(5-1)17-13-16-11(9-18-13)10-4-3-6-14-8-10/h1-9H,(H,15,16,17)","YVFMRJIXHKPNTN-UHFFFAOYSA-N",null,">30000"]
["D15593",28463,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50264071","N(c1nc(cs1)-c1ccncc1)c1ccccn1","InChI=1S/C13H10N4S/c1-2-6-15-12(3-1)17-13-16-11(9-18-13)10-4-7-14-8-5-10/h1-9H,(H,15,16,17)","IBMVKBJATBMJLP-UHFFFAOYSA-N",null,">30000"]
["D15594",12249,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87319","N1c2ccccc2Sc2cnccc12","InChI=1S/C11H8N2S/c1-2-4-10-8(3-1)13-9-5-6-12-7-11(9)14-10/h1-7,13H","JAALLZGVBSLANN-UHFFFAOYSA-N",null,12683]
["D15595",421,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135939","NC(=N)CCCSCC(CS)C(O)=O","InChI=1S/C8H16N2O2S2/c9-7(10)2-1-3-14-5-6(4-13)8(11)12/h6,13H,1-5H2,(H3,9,10)(H,11,12)","NEFADNFNASLUBS-UHFFFAOYSA-N",null,8.2]
["D15596",638,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201433","NC(=N)N1CCC(CC1)C(CS)C(O)=O","InChI=1S/C9H17N3O2S/c10-9(11)12-3-1-6(2-4-12)7(5-15)8(13)14/h6-7,15H,1-5H2,(H3,10,11)(H,13,14)","NDKUATGVOUGBIH-UHFFFAOYSA-N",null,1070]
["D15597",582,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201429","NC(=N)N1CCCC(C1)C(CS)C(O)=O","InChI=1S/C9H17N3O2S/c10-9(11)12-3-1-2-6(4-12)7(5-15)8(13)14/h6-7,15H,1-5H2,(H3,10,11)(H,13,14)","HNBJSRXHGCYXNR-UHFFFAOYSA-N",null,165]
["D15598",634,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201430","NC(=N)c1ccc(cc1)C(CS)C(O)=O","InChI=1S/C10H12N2O2S/c11-9(12)7-3-1-6(2-4-7)8(5-15)10(13)14/h1-4,8,15H,5H2,(H3,11,12)(H,13,14)","RIFDSZLUNQNXHW-UHFFFAOYSA-N",null,905]
["D15599",17821,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569836","NC(=O)C1(CO)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(c34)C(F)(F)F)c(F)c2)=N1",{"$nulls":3},">20000"]
["D15600",15128,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278383","NC(=O)C1(COc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)CC1","InChI=1S/C28H30N8O3/c29-14-20-13-19(1-6-24(20)39-17-28(7-8-28)26(30)37)25-31-18-32-27(34-25)33-21-2-4-22(5-3-21)35-9-11-36(12-10-35)23-15-38-16-23/h1-6,13,18,23H,7-12,15-17H2,(H2,30,37)(H,31,32,33,34)","ZJAPBMBBYHBJFK-UHFFFAOYSA-N",null,12]
["D15601",32135,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46428","NC(=O)C1CCN(CC1)c1ccc(cn1)S(=O)(=O)N1CCC(Cc2ccccc2)CC1","InChI=1S/C23H30N4O3S/c24-23(28)20-10-12-26(13-11-20)22-7-6-21(17-25-22)31(29,30)27-14-8-19(9-15-27)16-18-4-2-1-3-5-18/h1-7,17,19-20H,8-16H2,(H2,24,28)","ARRKLZLOSBNCGW-UHFFFAOYSA-N",null,">55700"]
["D15602",15615,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246055","NC(=O)CC1CCCN1c1ncc(cc1C#N)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1","InChI=1S/C26H29N9O2/c27-14-18-12-19(15-31-25(18)35-7-1-2-22(35)13-24(28)36)23-5-6-29-26(33-23)32-20-3-4-21(30-16-20)17-34-8-10-37-11-9-34/h3-6,12,15-16,22H,1-2,7-11,13,17H2,(H2,28,36)(H,29,32,33)","HWTRQAZRQMWGSF-UHFFFAOYSA-N",null,"<30",{"$nulls":4},7.5]
["D15603",16065,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246056","NC(=O)CC1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1","InChI=1S/C26H29N9O2/c27-13-19-12-20(14-31-25(19)35-6-4-18(16-35)11-24(28)36)23-3-5-29-26(33-23)32-21-1-2-22(30-15-21)17-34-7-9-37-10-8-34/h1-3,5,12,14-15,18H,4,6-11,16-17H2,(H2,28,36)(H,29,32,33)","QEPLYHPIGBPQHX-UHFFFAOYSA-N",null,"<100",{"$nulls":4},7.5]
["D15604",16004,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246061","NC(=O)CCC1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1","InChI=1S/C27H31N9O2/c28-14-20-13-21(15-32-26(20)36-8-6-19(17-36)1-4-25(29)37)24-5-7-30-27(34-24)33-22-2-3-23(31-16-22)18-35-9-11-38-12-10-35/h2-3,5,7,13,15-16,19H,1,4,6,8-12,17-18H2,(H2,29,37)(H,30,33,34)","ZZLCQUQQJVQCOM-UHFFFAOYSA-N",null,"<100",{"$nulls":4},7.5]
["D15605",4632,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66578","NC(=O)CCSC(=S)N1CCOCC1","InChI=1S/C8H14N2O2S2/c9-7(11)1-6-14-8(13)10-2-4-12-5-3-10/h1-6H2,(H2,9,11)","VMKSKBVNNLLDDX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15606",32160,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50557878","NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C[C@H](NC(=O)c3cc4cc(ccc4[nH]3)C(=O)P(O)(O)=O)C(=O)N12)C(=O)CCCCCC#Cc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O)C(=O)NC(c1ccccc1)c1ccccc1",{"$nulls":4},">10.0"]
["D15607",32159,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50514302","NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C[C@H](NC(=O)c3cc4cc(ccc4[nH]3)C(F)(F)P(O)(O)=O)C(=O)N12)C(=O)CCCCCC#Cc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O)C(=O)NC(c1ccccc1)c1ccccc1","InChI=1S/C59H62F2N9O12P/c60-59(61,83(80,81)82)39-21-23-43-38(31-39)32-45(63-43)54(75)65-46-34-68(51(73)20-11-3-1-2-6-13-35-18-12-19-41-42(35)33-69(57(41)78)47-26-28-50(72)66-55(47)76)30-29-40-22-25-48(70(40)58(46)79)56(77)64-44(24-27-49(62)71)53(74)67-52(36-14-7-4-8-15-36)37-16-9-5-10-17-37/h4-5,7-10,12,14-19,21,23,31-32,40,44,46-48,52,63H,1-3,11,20,22,24-30,33-34H2,(H2,62,71)(H,64,77)(H,65,75)(H,67,74)(H,66,72,76)(H2,80,81,82)/t40-,44+,46+,47?,48+/m1/s1","JKCSCHXVWPSGBG-OPKPGBGESA-N",null,null,1000]
["D15608",17268,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397752","NC(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C16H15N7O2/c17-4-12-11(20-7-14(18)24)3-10(5-19-12)13-6-22-15(8-21-13)23-16(25)9-1-2-9/h3,5-6,8-9,20H,1-2,7H2,(H2,18,24)(H,22,23,25)","MOQHIJNNFJCELT-UHFFFAOYSA-N",null,2512]
["D15609",31747,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43551","NC(=O)CSc1c[nH]c2ccccc12","InChI=1S/C10H10N2OS/c11-10(13)6-14-9-5-12-8-4-2-1-3-7(8)9/h1-5,12H,6H2,(H2,11,13)","QFPXKNWVBVPGGD-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D15610",16795,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50553207","NC(=O)Cc1cccc(Nc2nc(C#C)c3nc[nH]c3n2)c1","InChI=1S/C15H12N6O/c1-2-11-13-14(18-8-17-13)21-15(20-11)19-10-5-3-4-9(6-10)7-12(16)22/h1,3-6,8H,7H2,(H2,16,22)(H2,17,18,19,20,21)","CJQGLUJHMXCLQY-UHFFFAOYSA-N",null,740]
["D15611",17396,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50345779","NC(=O)Cc1ccccc1Oc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1","InChI=1S/C26H25FN6O2/c27-19-7-5-17(6-8-19)24-25(33(16-31-24)20-9-12-29-13-10-20)21-11-14-30-26(32-21)35-22-4-2-1-3-18(22)15-23(28)34/h1-8,11,14,16,20,29H,9-10,12-13,15H2,(H2,28,34)","IZZFCONHZHYYET-UHFFFAOYSA-N",null,3030]
["D15612",16552,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209665","NC(=O)Cn1cc(cn1)-c1cnc(N)c(c1)C(=O)Nc1ccncc1","InChI=1S/C16H15N7O2/c17-14(24)9-23-8-11(7-21-23)10-5-13(15(18)20-6-10)16(25)22-12-1-3-19-4-2-12/h1-8H,9H2,(H2,17,24)(H2,18,20)(H,19,22,25)","ZTLALBZROUPCEA-UHFFFAOYSA-N",null,360,{"$nulls":4},7.5,"30.00 C"]
["D15613",16498,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148091","NC(=O)Cn1ccc(Nc2nccc(n2)-c2ccc(N3CCCC3)c(c2)C#N)n1","InChI=1S/C20H20N8O/c21-12-15-11-14(3-4-17(15)27-8-1-2-9-27)16-5-7-23-20(24-16)25-19-6-10-28(26-19)13-18(22)29/h3-7,10-11H,1-2,8-9,13H2,(H2,22,29)(H,23,24,25,26)","IBQPWPIDOQZJIN-UHFFFAOYSA-N",null,"<300",{"$nulls":4},7.5]
["D15614",15988,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205197","NC(=O)N1CCC(Cc2ccc(cc2)C(=O)Nc2sc(nc2C(N)=O)-c2ccncc2)CC1","InChI=1S/C23H24N6O3S/c24-19(30)18-22(33-21(27-18)17-5-9-26-10-6-17)28-20(31)16-3-1-14(2-4-16)13-15-7-11-29(12-8-15)23(25)32/h1-6,9-10,15H,7-8,11-13H2,(H2,24,30)(H2,25,32)(H,28,31)","VOSWJBYKGOQTOG-UHFFFAOYSA-N",null,94,{"$nulls":4},7.5,"30.00 C"]
["D15615",16701,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278384","NC(=O)N1CCN(CCOc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)CC1","InChI=1S/C30H36N10O3/c31-18-23-17-22(1-6-27(23)43-16-15-37-7-9-40(10-8-37)29(32)41)28-33-21-34-30(36-28)35-24-2-4-25(5-3-24)38-11-13-39(14-12-38)26-19-42-20-26/h1-6,17,21,26H,7-16,19-20H2,(H2,32,41)(H,33,34,35,36)","MSGVRFPYRXTCNU-UHFFFAOYSA-N",null,503]
["D15616",14885,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM375370","NC(=O)N1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H31N9O3/c29-14-20-13-19(1-6-25(20)40-24-7-8-37(15-24)27(30)38)26-31-18-32-28(34-26)33-21-2-4-22(5-3-21)35-9-11-36(12-10-35)23-16-39-17-23/h1-6,13,18,23-24H,7-12,15-17H2,(H2,30,38)(H,31,32,33,34)/t24-/m1/s1","HIUTUQSSQYNMHL-XMMPIXPASA-N",null,7]
["D15617",16274,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278380","NC(=O)NCCOc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C26H29N9O3/c27-14-19-13-18(1-6-23(19)38-12-7-29-25(28)36)24-30-17-31-26(33-24)32-20-2-4-21(5-3-20)34-8-10-35(11-9-34)22-15-37-16-22/h1-6,13,17,22H,7-12,15-16H2,(H3,28,29,36)(H,30,31,32,33)","OITADFNDRROGLC-UHFFFAOYSA-N",null,126]
["D15618",3879,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66801","NC(=O)OCCCc1ccccc1","InChI=1S/C10H13NO2/c11-10(12)13-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,11,12)","CAMYKONBWHRPDD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15619",3601,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM212860","NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)cc2n1","InChI=1S/C21H16FN3O3/c22-14-4-2-13(3-5-14)16-10-18(21(23)28)24-17-9-12(1-6-15(16)17)11-25-19(26)7-8-20(25)27/h1-6,9-10H,7-8,11H2,(H2,23,28)","XSTBUOHORFUCIB-UHFFFAOYSA-N",null,">10000"]
["D15620",4918,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50503456","NC(=O)c1cc(-c2ccc(F)cc2)n2nc(COc3ccnc(c3)C(F)(F)F)cc2n1","InChI=1S/C20H13F4N5O2/c21-12-3-1-11(2-4-12)16-9-15(19(25)30)27-18-7-13(28-29(16)18)10-31-14-5-6-26-17(8-14)20(22,23)24/h1-9H,10H2,(H2,25,30)","WZTHJWNYBIKZNF-UHFFFAOYSA-N",null,">30000"]
["D15621",17907,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570016","NC(=O)c1cc(F)cc(c1)-c1c[nH]c2nccc(Oc3c(F)cc(NC4=NCC(F)(CO)CO4)cc3F)c12",{"$nulls":3},">20000"]
["D15622",12068,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87359","NC(=O)c1cc(Sc2ccccc2)nc2ccccc12","InChI=1S/C16H12N2OS/c17-16(19)13-10-15(20-11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14/h1-10H,(H2,17,19)","VUJPGFYDLGOFGY-UHFFFAOYSA-N",null,3527]
["D15623",17400,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50418163","NC(=O)c1cc(cc2c(c[nH]c12)C1CCCNC1)-c1ccccc1","InChI=1S/C20H21N3O/c21-20(24)17-10-15(13-5-2-1-3-6-13)9-16-18(12-23-19(16)17)14-7-4-8-22-11-14/h1-3,5-6,9-10,12,14,22-23H,4,7-8,11H2,(H2,21,24)","WEDULMQJBAQTCR-UHFFFAOYSA-N",null,">3162.28"]
["D15624",15899,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278225","NC(=O)c1cc(ccc1OC1CNC(=O)C(F)(F)C1)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H30F2N8O4/c29-28(30)12-21(13-32-26(28)40)42-23-6-1-17(11-22(23)24(31)39)25-33-16-34-27(36-25)35-18-2-4-19(5-3-18)37-7-9-38(10-8-37)20-14-41-15-20/h1-6,11,16,20-21H,7-10,12-15H2,(H2,31,39)(H,32,40)(H,33,34,35,36)","UXNBWHSNGHSWNI-UHFFFAOYSA-N",null,65]
["D15625",17065,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144195","NC(=O)c1cc2cc(Nc3cc(ccn3)-c3ccc(OC4CCOCC4)c(c3)C#N)ccc2o1","InChI=1S/C26H22N4O4/c27-15-19-11-16(1-3-23(19)33-21-6-9-32-10-7-21)17-5-8-29-25(14-17)30-20-2-4-22-18(12-20)13-24(34-22)26(28)31/h1-5,8,11-14,21H,6-7,9-10H2,(H2,28,31)(H,29,30)","LVXJQGLDSZJKLU-UHFFFAOYSA-N",null,1900,{"$nulls":4},7.5,"30.00 C"]
["D15626",15062,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144217","NC(=O)c1cc2cc(Nc3nccc(n3)-c3ccc(OC4CCOCC4)c(c3)C#N)ccc2o1","InChI=1S/C25H21N5O4/c26-14-17-11-15(1-3-22(17)33-19-6-9-32-10-7-19)20-5-8-28-25(30-20)29-18-2-4-21-16(12-18)13-23(34-21)24(27)31/h1-5,8,11-13,19H,6-7,9-10H2,(H2,27,31)(H,28,29,30)","FONLVAFSTIESFR-UHFFFAOYSA-N",null,10,{"$nulls":4},7.5,"30.00 C"]
["D15627",4196,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67079","NC(=O)c1ccc(NC(=O)CSc2nnc(C3CC3)n2C2CC2)cc1","InChI=1S/C17H19N5O2S/c18-15(24)10-3-5-12(6-4-10)19-14(23)9-25-17-21-20-16(11-1-2-11)22(17)13-7-8-13/h3-6,11,13H,1-2,7-9H2,(H2,18,24)(H,19,23)","UYPDMLROQBGBGC-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15628",15649,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144212","NC(=O)c1ccc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)nc1","InChI=1S/C23H21N5O3/c24-13-18-11-15(1-3-20(18)31-19-6-9-30-10-7-19)16-5-8-26-22(12-16)28-21-4-2-17(14-27-21)23(25)29/h1-5,8,11-12,14,19H,6-7,9-10H2,(H2,25,29)(H,26,27,28)","QCTBKGPTHUVEKR-UHFFFAOYSA-N",null,32,{"$nulls":4},7.5,"30.00 C"]
["D15629",15570,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148074","NC(=O)c1ccc(Nc2nccc(n2)-c2ccc(N3CCCC3)c(c2)C#N)cc1","InChI=1S/C22H20N6O/c23-14-17-13-16(5-8-20(17)28-11-1-2-12-28)19-9-10-25-22(27-19)26-18-6-3-15(4-7-18)21(24)29/h3-10,13H,1-2,11-12H2,(H2,24,29)(H,25,26,27)","KLBVVXUNATZXRZ-UHFFFAOYSA-N",null,"<30",{"$nulls":4},7.5]
["D15630",15242,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246032","NC(=O)c1ccc(Nc2nccc(n2)-c2cnc(N3CCCC3)c(c2)C#N)cc1","InChI=1S/C21H19N7O/c22-12-15-11-16(13-25-20(15)28-9-1-2-10-28)18-7-8-24-21(27-18)26-17-5-3-14(4-6-17)19(23)29/h3-8,11,13H,1-2,9-10H2,(H2,23,29)(H,24,26,27)","BNIHBJJXGBMYHX-UHFFFAOYSA-N",null,"<15",{"$nulls":4},7.5]
["D15631",15494,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246042","NC(=O)c1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1","InChI=1S/C20H17FN8O/c21-14-4-6-29(11-14)19-12(8-22)7-13(9-26-19)16-3-5-24-20(28-16)27-15-1-2-17(18(23)30)25-10-15/h1-3,5,7,9-10,14H,4,6,11H2,(H2,23,30)(H,24,27,28)/t14-/m0/s1","KICBHADEJMSZET-AWEZNQCLSA-N",null,"<30",{"$nulls":4},7.5]
["D15632",17116,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277833","NC(=O)c1ccc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cc1","InChI=1S/C22H20N6O3/c23-12-16-11-15(3-6-19(16)31-18-7-9-30-10-8-18)21-25-13-26-22(28-21)27-17-4-1-14(2-5-17)20(24)29/h1-6,11,13,18H,7-10H2,(H2,24,29)(H,25,26,27,28)","BTKYEHNXCFJUHN-UHFFFAOYSA-N",null,2000,{"$nulls":4},7]
["D15633",15168,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277863","NC(=O)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@@H]3CCN(C3)C(=O)CO)c(c2)C#N)cc1","InChI=1S/C23H21N7O4/c24-10-16-9-15(3-6-19(16)34-18-7-8-30(11-18)20(32)12-31)22-26-13-27-23(29-22)28-17-4-1-14(2-5-17)21(25)33/h1-6,9,13,18,31H,7-8,11-12H2,(H2,25,33)(H,26,27,28,29)/t18-/m1/s1","MBYYLRDCKQHUGM-GOSISDBHSA-N",null,13]
["D15634",31412,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Cyclin-dependent kinase 11A","Homo sapiens","BDBM50110208","NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1","InChI=1S/C22H16N4O3/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17/h1-11H,12H2,(H2,23,27)(H,25,26)","FHYUGAJXYORMHI-UHFFFAOYSA-N",null,null,">10000"]
["D15635",32011,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67118","NC(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(C(=O)Nc1ccc(F)cc1)c1ccccc1","InChI=1S/C25H25FN4O4S/c26-20-8-10-21(11-9-20)28-25(32)23(18-4-2-1-3-5-18)29-14-16-30(17-15-29)35(33,34)22-12-6-19(7-13-22)24(27)31/h1-13,23H,14-17H2,(H2,27,31)(H,28,32)","FAFNXZPIFKZTQH-UHFFFAOYSA-N",null,">55690"]
["D15636",3906,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66825","NC(=O)c1ccc[n+](CC(=O)NCc2ccc(Cl)cc2)c1","InChI=1S/C15H14ClN3O2/c16-13-5-3-11(4-6-13)8-18-14(20)10-19-7-1-2-12(9-19)15(17)21/h1-7,9H,8,10H2,(H2-,17,18,20,21)/p+1","PPNDSNFTAGETCU-UHFFFAOYSA-O",{"$nulls":3},">350000"]
["D15637",15625,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245930","NC(=O)c1cccc(Nc2nccc(n2)-c2cnc(N3CCCC3)c(c2)C#N)c1","InChI=1S/C21H19N7O/c22-12-15-10-16(13-25-20(15)28-8-1-2-9-28)18-6-7-24-21(27-18)26-17-5-3-4-14(11-17)19(23)29/h3-7,10-11,13H,1-2,8-9H2,(H2,23,29)(H,24,26,27)","BAKQBFWWFDSVKD-UHFFFAOYSA-N",null,"<30",{"$nulls":4},7.5]
["D15638",14847,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276994","NC(=O)c1cccc(c1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C25H21N5O3/c26-13-18-11-16(4-5-22(18)33-19-6-8-32-9-7-19)23-20-12-21(30-25(20)29-14-28-23)15-2-1-3-17(10-15)24(27)31/h1-5,10-12,14,19H,6-9H2,(H2,27,31)(H,28,29,30)","IVNHCMJOZZBIAP-UHFFFAOYSA-N",null,6.4,{"$nulls":4},7]
["D15639",32338,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396708","NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1","InChI=1S/C16H16N2O3S/c17-16(19)13-6-3-7-15(10-13)22(20,21)18-9-8-12-4-1-2-5-14(12)11-18/h1-7,10H,8-9,11H2,(H2,17,19)","HCXLUVGWFSBYGH-UHFFFAOYSA-N",null,">30000"]
["D15640",14613,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379364","NC(=O)c1cnc2nc([nH]c2c1NCCCNC(=O)C1CCC1)-c1ccc(OCCN2CCCCC2)cc1","InChI=1S/C28H37N7O3/c29-25(36)22-18-32-27-24(23(22)30-12-5-13-31-28(37)20-6-4-7-20)33-26(34-27)19-8-10-21(11-9-19)38-17-16-35-14-2-1-3-15-35/h8-11,18,20H,1-7,12-17H2,(H2,29,36)(H,31,37)(H2,30,32,33,34)","IUDBEIQBJIEKNX-UHFFFAOYSA-N",null,4]
["D15641",17276,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205237","NC(=O)c1nc(sc1NC(=O)c1cc[nH]n1)-c1ccncc1","InChI=1S/C13H10N6O2S/c14-10(20)9-13(18-11(21)8-3-6-16-19-8)22-12(17-9)7-1-4-15-5-2-7/h1-6H,(H2,14,20)(H,16,19)(H,18,21)","OTXRVPQAZZPSSR-UHFFFAOYSA-N",null,2700,{"$nulls":4},7.5,"30.00 C"]
["D15642",16365,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205203","NC(=O)c1nc(sc1NC(=O)c1ccc(CC2CCNCC2)cc1)-c1ccncc1","InChI=1S/C22H23N5O2S/c23-19(28)18-22(30-21(26-18)17-7-11-25-12-8-17)27-20(29)16-3-1-14(2-4-16)13-15-5-9-24-10-6-15/h1-4,7-8,11-12,15,24H,5-6,9-10,13H2,(H2,23,28)(H,27,29)","MELZPSHALOWGQY-UHFFFAOYSA-N",null,190,{"$nulls":4},7.5,"30.00 C"]
["D15643",16328,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205202","NC(=O)c1nc(sc1NC(=O)c1ccc(CCCCCC(O)=O)cc1)-c1ccncc1","InChI=1S/C22H22N4O4S/c23-19(29)18-22(31-21(25-18)16-10-12-24-13-11-16)26-20(30)15-8-6-14(7-9-15)4-2-1-3-5-17(27)28/h6-13H,1-5H2,(H2,23,29)(H,26,30)(H,27,28)","ZRNHKCYYWGCQLA-UHFFFAOYSA-N",null,160,{"$nulls":4},7.5,"30.00 C"]
["D15644",16980,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205212","NC(=O)c1nc(sc1NC(=O)c1ccc(CN2CCCC2)cc1)-c1ccncc1","InChI=1S/C21H21N5O2S/c22-18(27)17-21(29-20(24-17)16-7-9-23-10-8-16)25-19(28)15-5-3-14(4-6-15)13-26-11-1-2-12-26/h3-10H,1-2,11-13H2,(H2,22,27)(H,25,28)","HTBVJRXOTWQSKQ-UHFFFAOYSA-N",null,1160,{"$nulls":4},7.5,"30.00 C"]
["D15645",15994,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205198","NC(=O)c1nc(sc1NC(=O)c1ccc(CN2CCNCC2)cc1)-c1ccncc1","InChI=1S/C21H22N6O2S/c22-18(28)17-21(30-20(25-17)16-5-7-23-8-6-16)26-19(29)15-3-1-14(2-4-15)13-27-11-9-24-10-12-27/h1-8,24H,9-13H2,(H2,22,28)(H,26,29)","OGCZIWWQVLKYDK-UHFFFAOYSA-N",null,95,{"$nulls":4},7.5,"30.00 C"]
["D15646",16766,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205210","NC(=O)c1nc(sc1NC(=O)c1ccc(CN2CCOCC2)cc1)-c1ccncc1","InChI=1S/C21H21N5O3S/c22-18(27)17-21(30-20(24-17)16-5-7-23-8-6-16)25-19(28)15-3-1-14(2-4-15)13-26-9-11-29-12-10-26/h1-8H,9-13H2,(H2,22,27)(H,25,28)","XISZFSQTCZQVQU-UHFFFAOYSA-N",null,645,{"$nulls":4},7.5,"30.00 C"]
["D15647",16238,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205232","NC(=O)c1nc(sc1NC(=O)c1ccc(N)cc1)-c1ccncc1","InChI=1S/C16H13N5O2S/c17-11-3-1-9(2-4-11)14(23)21-16-12(13(18)22)20-15(24-16)10-5-7-19-8-6-10/h1-8H,17H2,(H2,18,22)(H,21,23)","WZWSPTDKPFXDGL-UHFFFAOYSA-N",null,110,{"$nulls":4},7.5,"30.00 C"]
["D15648",17595,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205217","NC(=O)c1nc(sc1NC(=O)c1ccc(nc1)N1CCOCC1)-c1ccncc1","InChI=1S/C19H18N6O3S/c20-16(26)15-19(29-18(23-15)12-3-5-21-6-4-12)24-17(27)13-1-2-14(22-11-13)25-7-9-28-10-8-25/h1-6,11H,7-10H2,(H2,20,26)(H,24,27)","QQKJDYBTDOWTFM-UHFFFAOYSA-N",null,7300,{"$nulls":4},7.5,"30.00 C"]
["D15649",16257,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205235","NC(=O)c1nc(sc1NC(=O)c1ccc[nH]1)-c1ccncc1","InChI=1S/C14H11N5O2S/c15-11(20)10-14(19-12(21)9-2-1-5-17-9)22-13(18-10)8-3-6-16-7-4-8/h1-7,17H,(H2,15,20)(H,19,21)","YYPXOMDDWZLVDO-UHFFFAOYSA-N",null,120,{"$nulls":4},7.5,"30.00 C"]
["D15650",17407,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205230","NC(=O)c1nc(sc1NC(=O)c1ccccc1)-c1ccncc1","InChI=1S/C16H12N4O2S/c17-13(21)12-16(20-14(22)10-4-2-1-3-5-10)23-15(19-12)11-6-8-18-9-7-11/h1-9H,(H2,17,21)(H,20,22)","YEKXOGQNCKRIQI-UHFFFAOYSA-N",null,3600,{"$nulls":4},7.5,"30.00 C"]
["D15651",17411,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205234","NC(=O)c1nc(sc1NC(=O)c1ccco1)-c1ccncc1","InChI=1S/C14H10N4O3S/c15-11(19)10-14(18-12(20)9-2-1-7-21-9)22-13(17-10)8-3-5-16-6-4-8/h1-7H,(H2,15,19)(H,18,20)","MBTMTNMMFIBBGJ-UHFFFAOYSA-N",null,3700,{"$nulls":4},7.5,"30.00 C"]
["D15652",17121,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205236","NC(=O)c1nc(sc1NC(=O)c1cccs1)-c1ccncc1","InChI=1S/C14H10N4O2S2/c15-11(19)10-14(18-12(20)9-2-1-7-21-9)22-13(17-10)8-3-5-16-6-4-8/h1-7H,(H2,15,19)(H,18,20)","GEEOAANANCFYRS-UHFFFAOYSA-N",null,2000,{"$nulls":4},7.5,"30.00 C"]
["D15653",17491,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205238","NC(=O)c1nc(sc1NC(=O)c1ccoc1)-c1ccncc1","InChI=1S/C14H10N4O3S/c15-11(19)10-14(18-12(20)9-3-6-21-7-9)22-13(17-10)8-1-4-16-5-2-8/h1-7H,(H2,15,19)(H,18,20)","NGKOVCKIYFQXLM-UHFFFAOYSA-N",null,4600,{"$nulls":4},7.5,"30.00 C"]
["D15654",16378,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205239","NC(=O)c1nc(sc1NC(=O)c1ccsc1)-c1ccncc1","InChI=1S/C14H10N4O2S2/c15-11(19)10-14(18-12(20)9-3-6-21-7-9)22-13(17-10)8-1-4-16-5-2-8/h1-7H,(H2,15,19)(H,18,20)","GLXBQRZXUMNQRW-UHFFFAOYSA-N",null,200,{"$nulls":4},7.5,"30.00 C"]
["D15655",17275,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205216","NC(=O)c1nc(sc1NC(=O)c1cn[nH]c1)-c1ccncc1","InChI=1S/C13H10N6O2S/c14-10(20)9-13(19-11(21)8-5-16-17-6-8)22-12(18-9)7-1-3-15-4-2-7/h1-6H,(H2,14,20)(H,16,17)(H,19,21)","HAVGDKYSPWKXRC-UHFFFAOYSA-N",null,2700,{"$nulls":4},7.5,"30.00 C"]
["D15656",17600,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM205218","NC(=O)c1nc(sc1NC(=O)c1cnn(CC2CCNCC2)c1)-c1ccncc1","InChI=1S/C19H21N7O2S/c20-16(27)15-19(29-18(24-15)13-3-7-22-8-4-13)25-17(28)14-9-23-26(11-14)10-12-1-5-21-6-2-12/h3-4,7-9,11-12,21H,1-2,5-6,10H2,(H2,20,27)(H,25,28)","OKDBAKQZUSFJMY-UHFFFAOYSA-N",null,7900,{"$nulls":4},7.5,"30.00 C"]
["D15657",11772,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM32271","NC(=O)c1sc2nc3CCCc3c(-c3ccco3)c2c1N","InChI=1S/C15H13N3O2S/c16-12-11-10(9-5-2-6-20-9)7-3-1-4-8(7)18-15(11)21-13(12)14(17)19/h2,5-6H,1,3-4,16H2,(H2,17,19)","RNEZSVRJTNFNAK-UHFFFAOYSA-N",null,1117]
["D15658",12160,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87324","NC(=S)NN=C1CCOc2ccc(Cl)cc12","InChI=1S/C10H10ClN3OS/c11-6-1-2-9-7(5-6)8(3-4-15-9)13-14-10(12)16/h1-2,5H,3-4H2,(H3,12,14,16)","KXIIIXKLZWIYAI-UHFFFAOYSA-N",null,6904]
["D15659",12085,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87328","NC(=S)NN=C1CCSc2ccc(Cl)cc12","InChI=1S/C10H10ClN3S2/c11-6-1-2-9-7(5-6)8(3-4-16-9)13-14-10(12)15/h1-2,5H,3-4H2,(H3,12,14,15)","ZSKIHXKZEHXVBC-UHFFFAOYSA-N",null,3939]
["D15660",4636,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66581","NC(=S)NNC(=O)C(NC(=O)c1ccccc1)=Cc1ccc(Br)cc1","InChI=1S/C17H15BrN4O2S/c18-13-8-6-11(7-9-13)10-14(16(24)21-22-17(19)25)20-15(23)12-4-2-1-3-5-12/h1-10H,(H,20,23)(H,21,24)(H3,19,22,25)","FBFZKDNQYQHIAC-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15661",4705,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66634","NC(=S)c1cn(C2OC(CO)C(O)C2O)c2ncnc(N)c12","InChI=1S/C12H15N5O4S/c13-9-6-4(10(14)22)1-17(11(6)16-3-15-9)12-8(20)7(19)5(2-18)21-12/h1,3,5,7-8,12,18-20H,2H2,(H2,14,22)(H2,13,15,16)","XZOKDXWQSCIKCM-UHFFFAOYSA-N",{"$nulls":3},145900]
["D15662",3458,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50004881","NC(C(O)=O)c1ccc(cc1)P(O)(O)=O","InChI=1S/C8H10NO5P/c9-7(8(10)11)5-1-3-6(4-2-5)15(12,13)14/h1-4,7H,9H2,(H,10,11)(H2,12,13,14)","JRQRKFDFHAPMGQ-UHFFFAOYSA-N",185000]
["D15663",3606,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50072176","NC(CC1c2ccccc2Oc2ccccc12)([C@H]1[C@H](CCc2ccccc2)[C@@H]1C(O)=O)C(O)=O","InChI=1S/C28H27NO5/c29-28(27(32)33,25-20(24(25)26(30)31)15-14-17-8-2-1-3-9-17)16-21-18-10-4-6-12-22(18)34-23-13-7-5-11-19(21)23/h1-13,20-21,24-25H,14-16,29H2,(H,30,31)(H,32,33)/t20-,24+,25+,28?/m1/s1","BCMKQOREHHIJIN-KOUVAXTNSA-N",null,15350]
["D15664",3447,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50004051","NC(CCP(O)(O)=O)C(O)=O","InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)","DDOQBQRIEWHWBT-UHFFFAOYSA-N",">10000"]
["D15665",364,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81902","NC(Cc1ccc2c(N)nccc2c1)C(O)=O","InChI=1S/C12H13N3O2/c13-10(12(16)17)6-7-1-2-9-8(5-7)3-4-15-11(9)14/h1-5,10H,6,13H2,(H2,14,15)(H,16,17)","VYOXWSYCVMFVEP-UHFFFAOYSA-N",220000]
["D15666",363,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81903","NC(Cc1ccc2ccnc(N)c2c1)C(O)=O","InChI=1S/C12H13N3O2/c13-10(12(16)17)6-7-1-2-8-3-4-15-11(14)9(8)5-7/h1-5,10H,6,13H2,(H2,14,15)(H,16,17)","IFFBNDWTLOCJIQ-UHFFFAOYSA-N",145000]
["D15667",324,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201438","NC(N)=NCCCC(CS)C(O)=O","InChI=1S/C7H15N3O2S/c8-7(9)10-3-1-2-5(4-13)6(11)12/h5,13H,1-4H2,(H,11,12)(H4,8,9,10)","JOVIPJZDTSYNNW-UHFFFAOYSA-N",4]
["D15668",28704,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50215079","NC(N)=NCc1ccc(\\C=C/c2ccc(CN=C(N)N)cc2)cc1","InChI=1S/C18H22N6/c19-17(20)23-11-15-7-3-13(4-8-15)1-2-14-5-9-16(10-6-14)12-24-18(21)22/h1-10H,11-12H2,(H4,19,20,23)(H4,21,22,24)/b2-1-","BWMVKCCVRSMUHH-UPHRSURJSA-N",null,25000]
["D15669",11878,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43027","NC(N)=NN=Cc1ccc(cc1)C#N","InChI=1S/C9H9N5/c10-5-7-1-3-8(4-2-7)6-13-14-9(11)12/h1-4,6H,(H4,11,12,14)","AHDLOWPJHUIHGF-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D15670",4581,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66532","NC(N)=N[NH+]=C[c-]1cccc([N+]([O-])=O)c1=O","InChI=1S/C8H8N5O3/c9-8(10)12-11-4-5-2-1-3-6(7(5)14)13(15)16/h1-4H,(H4,9,10,12)/q-1/p+1","DSYKKONVTPBLKZ-UHFFFAOYSA-O",{"$nulls":3},">350000"]
["D15671",441,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201439","NC(N)=Nc1ccc(Cl)c(c1)C(CS)C(O)=O","InChI=1S/C10H12ClN3O2S/c11-8-2-1-5(14-10(12)13)3-6(8)7(4-17)9(15)16/h1-3,7,17H,4H2,(H,15,16)(H4,12,13,14)","DDXTYELBFUMBFH-UHFFFAOYSA-N",null,11]
["D15672",391,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201427","NC(N)=Nc1cccc(c1)C(CS)C(O)=O","InChI=1S/C10H13N3O2S/c11-10(12)13-7-3-1-2-6(4-7)8(5-16)9(14)15/h1-4,8,16H,5H2,(H,14,15)(H4,11,12,13)","YHBCRXAIIVZWEW-UHFFFAOYSA-N",null,4]
["D15673",12367,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM22891","NC(N)=Nc1nc(CSCCC(N)=NS(N)(=O)=O)cs1","InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)","XUFQPHANEAPEMJ-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D15674",4080,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM64773","NC(Nc1ccc(Cl)cc1)=NC(N)=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1","InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)","GHXZTYHSJHQHIJ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15675",3703,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50207813","NC([C@@H]1[C@H]([C@H]1P(O)(O)=O)c1ccccc1)C(O)=O","InChI=1S/C11H14NO5P/c12-9(11(13)14)8-7(10(8)18(15,16)17)6-4-2-1-3-5-6/h1-5,7-10H,12H2,(H,13,14)(H2,15,16,17)/t7-,8+,9?,10-/m1/s1","DLDXPEVIBANPLO-URJDPWSZSA-N",{"$nulls":3},">1000000"]
["D15676",3700,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50207814","NC([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O","InChI=1S/C5H10NO5P/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H2,9,10,11)/t2-,3-,4?/m0/s1","KZOMBNQLBSHMFV-LPGMDIISSA-N",{"$nulls":3},700000]
["D15677",3702,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50207811","NC([C@H]1[C@@H]([C@@H]1P(O)(O)=O)c1ccccc1)C(O)=O","InChI=1S/C11H14NO5P/c12-9(11(13)14)8-7(10(8)18(15,16)17)6-4-2-1-3-5-6/h1-5,7-10H,12H2,(H,13,14)(H2,15,16,17)/t7-,8+,9?,10-/m0/s1","DLDXPEVIBANPLO-WPXGONGXSA-N",{"$nulls":3},">1000000"]
["D15678",4983,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50088290","NC1(CC1(F)CP(O)(O)=O)C(O)=O","InChI=1S/C5H9FNO5P/c6-4(2-13(10,11)12)1-5(4,7)3(8)9/h1-2,7H2,(H,8,9)(H2,10,11,12)","VHMPIZVLCHCGBT-UHFFFAOYSA-N",{"$nulls":3},">100000"]
["D15679",12374,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42902","NC1=NON(O)C1C(=N)N=O","InChI=1S/C3H5N5O3/c4-2(6-9)1-3(5)7-11-8(1)10/h1,4,10H,(H2,5,7)","FTKGBMCKJZZCGG-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D15680",28242,"6xdg_A",0.3,"Spike glycoprotein","Voltage-gated sodium channel","Rattus norvegicus","BDBM50344821","NC1=N[C@H](O)[C@H]2[C@H]3O[C@]4(O)O[C@@H]([C@@H](O)[C@@]2(N1)[C@@H]4O)[C@]3(O)CO","InChI=1S/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/t2-,3-,4-,5+,6-,7+,9+,10-,11+/m1/s1","CFMYXEVWODSLAX-QOZOJKKESA-N",null,null," 1.8"]
["D15681",689,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144341","NC1CCC(CC(C(O)=O)c2cnc[nH]2)CC1","InChI=1S/C12H19N3O2/c13-9-3-1-8(2-4-9)5-10(12(16)17)11-6-14-7-15-11/h6-10H,1-5,13H2,(H,14,15)(H,16,17)","QDWZLLMKOBKAAN-UHFFFAOYSA-N",null,7000]
["D15682",13895,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19311246","NC1CCC(CC(C(O)=O)c2cnc[nH]2)CC2","InChI=1S/C12H19N3O2/c13-9-3-1-8(2-4-9)5-10(12(16)17)11-6-14-7-15-11/h6-10H,1-5,13H2,(H,14,15)(H,16,17)","QDWZLLMKOBKAAN-UHFFFAOYSA-N",-35552.2554300352,13717.7880608083,33793.6438797237,{"$nulls":3},6.73739231718419]
["D15683",715,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144346","NC1CCCC(CC(C(O)=O)c2cnc[nH]2)C1","InChI=1S/C12H19N3O2/c13-9-3-1-2-8(4-9)5-10(12(16)17)11-6-14-7-15-11/h6-10H,1-5,13H2,(H,14,15)(H,16,17)","IJYXPKYOLPUBTD-UHFFFAOYSA-N",null,">20000"]
["D15684",16406,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357866","NC1Oc2oc3ccc(cc3c(=O)c2C=C1C(=O)Nc1nnn[nH]1)N1CCOCC1",{"$nulls":3},220]
["D15685",692,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201436","NCC(=O)N1CCC(CC1)C(CS)C(O)=O","InChI=1S/C10H18N2O3S/c11-5-9(13)12-3-1-7(2-4-12)8(6-16)10(14)15/h7-8,16H,1-6,11H2,(H,14,15)","NPCZDASYWFJQJA-UHFFFAOYSA-N",null,7350]
["D15686",14786,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276976","NCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C31H32N6O3/c32-19-23-17-22(3-6-29(23)40-25-8-11-37(12-9-25)30(38)20-33)26-7-10-34-31-27(26)18-28(35-31)21-1-4-24(5-2-21)36-13-15-39-16-14-36/h1-7,10,17-18,25H,8-9,11-16,20,33H2,(H,34,35)","JETYSPOAYHVVGU-UHFFFAOYSA-N",null,5.96]
["D15687",15748,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144206","NCC(=O)N1CCC(CCn2cc(Nc3cc(ccn3)-c3ccc(OC4CCOCC4)c(c3)C#N)cn2)CC1","InChI=1S/C29H35N7O3/c30-17-24-15-22(1-2-27(24)39-26-7-13-38-14-8-26)23-3-9-32-28(16-23)34-25-19-33-36(20-25)12-6-21-4-10-35(11-5-21)29(37)18-31/h1-3,9,15-16,19-21,26H,4-8,10-14,18,31H2,(H,32,34)","HWCQSDRAAGDSRX-UHFFFAOYSA-N",null,42,{"$nulls":4},7.5,"30.00 C"]
["D15688",3909,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66826","NCC1CCC(CC1)C(=O)Oc1ccc(CCC(O)=O)cc1","InChI=1S/C17H23NO4/c18-11-13-1-6-14(7-2-13)17(21)22-15-8-3-12(4-9-15)5-10-16(19)20/h3-4,8-9,13-14H,1-2,5-7,10-11,18H2,(H,19,20)","FHRSHSOEWXUORL-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15689",688,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144321","NCCCC(C(O)=O)c1cnc[nH]1","InChI=1S/C8H13N3O2/c9-3-1-2-6(8(12)13)7-4-10-5-11-7/h4-6H,1-3,9H2,(H,10,11)(H,12,13)","BSUQXFIQHAIGHA-UHFFFAOYSA-N",null,6800]
["D15690",13894,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19311051","NCCCC(C(O)=O)c1cnc[nH]2","InChI=1S/C8H13N3O2/c9-3-1-2-6(8(12)13)7-4-10-5-11-7/h4-6H,1-3,9H2,(H,10,11)(H,12,13)","BSUQXFIQHAIGHA-UHFFFAOYSA-N",-35450.0950464062,13501.2287727104,33793.0093905282,{"$nulls":3},6.73739187581235]
["D15691",347,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226603","NCCCC(CS)C(O)=O","InChI=1S/C6H13NO2S/c7-3-1-2-5(4-10)6(8)9/h5,10H,1-4,7H2,(H,8,9)","IKYCTNVIQZAWIB-UHFFFAOYSA-N",300]
["D15692",446,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109249","NCCCC(Cc1cn(cn1)C1C2CC3CC(C2)CC1C3)C(O)=O","InChI=1S/C19H29N3O2/c20-3-1-2-14(19(23)24)9-17-10-22(11-21-17)18-15-5-12-4-13(7-15)8-16(18)6-12/h10-16,18H,1-9,20H2,(H,23,24)","WSBZOSHMXZRDKY-UHFFFAOYSA-N",null,12]
["D15693",474,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109237","NCCCC(Cc1cn(cn1)C1CCCCC1)C(O)=O","InChI=1S/C15H25N3O2/c16-8-4-5-12(15(19)20)9-13-10-18(11-17-13)14-6-2-1-3-7-14/h10-12,14H,1-9,16H2,(H,19,20)","FNFACZYHQHRMSK-UHFFFAOYSA-N",null,21]
["D15694",476,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109246","NCCCC(Cc1cn(cn1)C1CCCCCC1)C(O)=O","InChI=1S/C16H27N3O2/c17-9-5-6-13(16(20)21)10-14-11-19(12-18-14)15-7-3-1-2-4-8-15/h11-13,15H,1-10,17H2,(H,20,21)","MHKMIQNCAHVRCX-UHFFFAOYSA-N",null,21]
["D15695",454,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109247","NCCCC(Cc1cn(cn1)[C@@H]1CC2CCC1C2)C(O)=O","InChI=1S/C16H25N3O2/c17-5-1-2-13(16(20)21)8-14-9-19(10-18-14)15-7-11-3-4-12(15)6-11/h9-13,15H,1-8,17H2,(H,20,21)/t11?,12?,13?,15-/m1/s1","MSFPTFZXHMPOFF-CDKPOMLUSA-N",null,14]
["D15696",470,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109261","NCCCC(Cc1cn(cn1)[C@@H]1CC[C@H](O)CC1)C(O)=O","InChI=1S/C15H25N3O3/c16-7-1-2-11(15(20)21)8-12-9-18(10-17-12)13-3-5-14(19)6-4-13/h9-11,13-14,19H,1-8,16H2,(H,20,21)/t11?,13-,14+","CEXOYROFZTUKIF-QXMXGUDHSA-N",null,19]
["D15697",485,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109248","NCCCC(Cc1cn(cn1)[C@H]1CC2CCC1C2)C(O)=O","InChI=1S/C16H25N3O2/c17-5-1-2-13(16(20)21)8-14-9-19(10-18-14)15-7-11-3-4-12(15)6-11/h9-13,15H,1-8,17H2,(H,20,21)/t11?,12?,13?,15-/m0/s1","MSFPTFZXHMPOFF-WOFVOEOOSA-N",null,25]
["D15698",450,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109250","NCCCC(Cc1cn(cn1)[C@H]1CC[C@@H](CC1)Oc1ccccc1)C(O)=O","InChI=1S/C21H29N3O3/c22-12-4-5-16(21(25)26)13-17-14-24(15-23-17)18-8-10-20(11-9-18)27-19-6-2-1-3-7-19/h1-3,6-7,14-16,18,20H,4-5,8-13,22H2,(H,25,26)/t16?,18-,20-","ZALSOORDNKVPOI-WTXWRMNVSA-N",null,13]
["D15699",434,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109262","NCCCC(Cc1cn(cn1)[C@H]1CC[C@@H](CC1)Oc1ccncc1)C(O)=O","InChI=1S/C20H28N4O3/c21-9-1-2-15(20(25)26)12-16-13-24(14-23-16)17-3-5-18(6-4-17)27-19-7-10-22-11-8-19/h7-8,10-11,13-15,17-18H,1-6,9,12,21H2,(H,25,26)/t15?,17-,18-","WYBOFISFENYTDE-DNLFPKPLSA-N",null,9.8]
["D15700",487,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109243","NCCCC(Cc1cn(cn1)[C@H]1CC[C@H](O)CC1)C(O)=O","InChI=1S/C15H25N3O3/c16-7-1-2-11(15(20)21)8-12-9-18(10-17-12)13-3-5-14(19)6-4-13/h9-11,13-14,19H,1-8,16H2,(H,20,21)/t11?,13-,14-","CEXOYROFZTUKIF-RCWADLFESA-N",null,26]
["D15701",475,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM109242","NCCCC(Cc1cn(cn1)[C@H]1C[C@@H]2C[C@@H]2C1)C(O)=O","InChI=1S/C15H23N3O2/c16-3-1-2-10(15(19)20)5-13-8-18(9-17-13)14-6-11-4-12(11)7-14/h8-12,14H,1-7,16H2,(H,19,20)/t10?,11-,12+,14-","ZZLRTOGULJOLII-NPORBRKHSA-N",null,21]
["D15702",341,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226607","NCCCC(Cc1cnc[nH]1)C(O)=O","InChI=1S/C9H15N3O2/c10-3-1-2-7(9(13)14)4-8-5-11-6-12-8/h5-7H,1-4,10H2,(H,11,12)(H,13,14)","BJQWDKXNACRDDN-UHFFFAOYSA-N",140]
["D15703",621,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008276","NCCCC1(CCc2c(C1)ncn2-c1ccccc1)C(O)=O","InChI=1S/C17H21N3O2/c18-10-4-8-17(16(21)22)9-7-15-14(11-17)19-12-20(15)13-5-2-1-3-6-13/h1-3,5-6,12H,4,7-11,18H2,(H,21,22)","GBGNYJCWTUIJPT-UHFFFAOYSA-N",null,585]
["D15704",573,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008275","NCCCC1(CCc2c(C1)ncn2CCC1CCC(CC1)C1CCCCC1)C(O)=O","InChI=1S/C25H41N3O2/c26-15-4-13-25(24(29)30)14-11-23-22(17-25)27-18-28(23)16-12-19-7-9-21(10-8-19)20-5-2-1-3-6-20/h18-21H,1-17,26H2,(H,29,30)","KUVAYHVUNQWSPM-UHFFFAOYSA-N",null,124]
["D15705",531,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326382","NCCCC1CC1(C(O)=O)c1cn(cn1)-c1cccc2ccccc12","InChI=1S/C20H21N3O2/c21-10-4-7-15-11-20(15,19(24)25)18-12-23(13-22-18)17-9-3-6-14-5-1-2-8-16(14)17/h1-3,5-6,8-9,12-13,15H,4,7,10-11,21H2,(H,24,25)","UDAZMQUJRCWMDT-UHFFFAOYSA-N",null,54]
["D15706",13737,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19280431","NCCCC1CC1(C(O)=O)c1cn(cn1)-c1cccc2ccccc13","InChI=1S/C20H21N3O2/c21-10-4-7-15-11-20(15,19(24)25)18-12-23(13-22-18)17-9-3-6-14-5-1-2-8-16(14)17/h1-3,5-6,8-9,12-13,15H,4,7,10-11,21H2,(H,24,25)","UDAZMQUJRCWMDT-UHFFFAOYSA-N",-19410.9148166605,111.224152724153,33693.3945868369,{"$nulls":3},6.73732258043308]
["D15707",622,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144334","NCCCCC(C(O)=O)c1cnc[nH]1","InChI=1S/C9H15N3O2/c10-4-2-1-3-7(9(13)14)8-5-11-6-12-8/h5-7H,1-4,10H2,(H,11,12)(H,13,14)","ATNHCKIPIWIEGH-UHFFFAOYSA-N",null,590]
["D15708",13828,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19298179","NCCCCC(C(O)=O)c1cnc[nH]2","InChI=1S/C9H15N3O2/c10-4-2-1-3-7(9(13)14)8-5-11-6-12-8/h5-7H,1-4,10H2,(H,11,12)(H,13,14)","ATNHCKIPIWIEGH-UHFFFAOYSA-N",-28707.5097268953,2751.3641447494,33751.1331036261,{"$nulls":3},6.73736274527075]
["D15709",461,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173908","NCCCCC(NC(=O)N[C@@H]1CCCCCCCCOCCNC1=O)C(O)=O","InChI=1S/C19H36N4O5/c20-11-7-6-10-16(18(25)26)23-19(27)22-15-9-5-3-1-2-4-8-13-28-14-12-21-17(15)24/h15-16H,1-14,20H2,(H,21,24)(H,25,26)(H2,22,23,27)/t15-,16?/m1/s1","DVULGIIJYZWCHK-AAFJCEBUSA-N",null,17,{"$nulls":4},7.4,"25.00 C"]
["D15710",616,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575743","NCCCCC1(CC(Cc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C17H26NO4P/c18-10-5-4-9-17(16(19)20)13-15(8-11-23(17,21)22)12-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13,18H2,(H,19,20)(H,21,22)","OWYIPXCIDKTXAY-UHFFFAOYSA-N",null,500]
["D15711",587,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575758","NCCCCC1(CN(Cc2ccc(Cl)cc2)CCP1(O)=O)C(O)=O","InChI=1S/C16H24ClN2O4P/c17-14-5-3-13(4-6-14)11-19-9-10-24(22,23)16(12-19,15(20)21)7-1-2-8-18/h3-6H,1-2,7-12,18H2,(H,20,21)(H,22,23)","VPMVFZPVAJMUAF-UHFFFAOYSA-N",null,183]
["D15712",574,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575761","NCCCCC1(CN(Cc2ccc(F)cc2)CCP1(O)=O)C(O)=O","InChI=1S/C16H24FN2O4P/c17-14-5-3-13(4-6-14)11-19-9-10-24(22,23)16(12-19,15(20)21)7-1-2-8-18/h3-6H,1-2,7-12,18H2,(H,20,21)(H,22,23)","BPGDVCHLKUNYCG-UHFFFAOYSA-N",null,127]
["D15713",565,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575757","NCCCCC1(CN(Cc2ccc(O)cc2)CCP1(O)=O)C(O)=O","InChI=1S/C16H25N2O5P/c17-8-2-1-7-16(15(20)21)12-18(9-10-24(16,22)23)11-13-3-5-14(19)6-4-13/h3-6,19H,1-2,7-12,17H2,(H,20,21)(H,22,23)","RPSUUUMUOBONAG-UHFFFAOYSA-N",null,101]
["D15714",729,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575766","NCCCCC1(CN(Cc2ccc(cc2)-c2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C22H29N2O4P/c23-13-5-4-12-22(21(25)26)17-24(14-15-29(22,27)28)16-18-8-10-20(11-9-18)19-6-2-1-3-7-19/h1-3,6-11H,4-5,12-17,23H2,(H,25,26)(H,27,28)","XKEWZZHDFCZESH-UHFFFAOYSA-N",null,">30000"]
["D15715",627,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575759","NCCCCC1(CN(Cc2cccc(Cl)c2)CCP1(O)=O)C(O)=O","InChI=1S/C16H24ClN2O4P/c17-14-5-3-4-13(10-14)11-19-8-9-24(22,23)16(12-19,15(20)21)6-1-2-7-18/h3-5,10H,1-2,6-9,11-12,18H2,(H,20,21)(H,22,23)","CYMKCJYHJMQMBX-UHFFFAOYSA-N",null,750]
["D15716",730,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575765","NCCCCC1(CN(Cc2cccc(c2)-c2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C22H29N2O4P/c23-12-5-4-11-22(21(25)26)17-24(13-14-29(22,27)28)16-18-7-6-10-20(15-18)19-8-2-1-3-9-19/h1-3,6-10,15H,4-5,11-14,16-17,23H2,(H,25,26)(H,27,28)","KQZZDKNZPXKLSL-UHFFFAOYSA-N",null,">30000"]
["D15717",462,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575764","NCCCCC1(CN(Cc2ccccc2-c2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C22H29N2O4P/c23-13-7-6-12-22(21(25)26)17-24(14-15-29(22,27)28)16-19-10-4-5-11-20(19)18-8-2-1-3-9-18/h1-5,8-11H,6-7,12-17,23H2,(H,25,26)(H,27,28)","TZBHVEYERYTMRS-UHFFFAOYSA-N",null,17]
["D15718",377,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575768","NCCCCC1(CN(Cc2ccccc2-c2cccnc2)CCP1(O)=O)C(O)=O","InChI=1S/C21H28N3O4P/c22-10-4-3-9-21(20(25)26)16-24(12-13-29(21,27)28)15-18-6-1-2-8-19(18)17-7-5-11-23-14-17/h1-2,5-8,11,14H,3-4,9-10,12-13,15-16,22H2,(H,25,26)(H,27,28)","ZARDBEAQXXDVBK-UHFFFAOYSA-N",null,2]
["D15719",408,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575769","NCCCCC1(CN(Cc2ccccc2-c2cncnc2)CCP1(O)=O)C(O)=O","InChI=1S/C20H27N4O4P/c21-8-4-3-7-20(19(25)26)14-24(9-10-29(20,27)28)13-16-5-1-2-6-18(16)17-11-22-15-23-12-17/h1-2,5-6,11-12,15H,3-4,7-10,13-14,21H2,(H,25,26)(H,27,28)","PNESMYMKIXRGDJ-UHFFFAOYSA-N",null,7]
["D15720",550,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575763","NCCCCC1(CN(Cc2ccccc2Br)CCP1(O)=O)C(O)=O","InChI=1S/C16H24BrN2O4P/c17-14-6-2-1-5-13(14)11-19-9-10-24(22,23)16(12-19,15(20)21)7-3-4-8-18/h1-2,5-6H,3-4,7-12,18H2,(H,20,21)(H,22,23)","UTNAZQAXWAOANT-UHFFFAOYSA-N",null,87]
["D15721",581,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575760","NCCCCC1(CN(Cc2ccccc2Cl)CCP1(O)=O)C(O)=O","InChI=1S/C16H24ClN2O4P/c17-14-6-2-1-5-13(14)11-19-9-10-24(22,23)16(12-19,15(20)21)7-3-4-8-18/h1-2,5-6H,3-4,7-12,18H2,(H,20,21)(H,22,23)","MDZLUBDITWWUHN-UHFFFAOYSA-N",null,161]
["D15722",619,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575762","NCCCCC1(CN(Cc2ccccc2F)CCP1(O)=O)C(O)=O","InChI=1S/C16H24FN2O4P/c17-14-6-2-1-5-13(14)11-19-9-10-24(22,23)16(12-19,15(20)21)7-3-4-8-18/h1-2,5-6H,3-4,7-12,18H2,(H,20,21)(H,22,23)","JYJPJVPEHYANHW-UHFFFAOYSA-N",null,515]
["D15723",725,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575767","NCCCCC1(CN(Cc2ccccc2Oc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C22H29N2O5P/c23-13-7-6-12-22(21(25)26)17-24(14-15-30(22,27)28)16-18-8-4-5-11-20(18)29-19-9-2-1-3-10-19/h1-5,8-11H,6-7,12-17,23H2,(H,25,26)(H,27,28)","HJMUGZLCPOUGGN-UHFFFAOYSA-N",null,">30000"]
["D15724",676,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144324","NCCCCCC(C(O)=O)c1cnc[nH]1","InChI=1S/C10H17N3O2/c11-5-3-1-2-4-8(10(14)15)9-6-12-7-13-9/h6-8H,1-5,11H2,(H,12,13)(H,14,15)","XZPKPIITOZJCFP-UHFFFAOYSA-N",null,4700]
["D15725",13882,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19308711","NCCCCCC(C(O)=O)c1cnc[nH]2","InChI=1S/C10H17N3O2/c11-5-3-1-2-4-8(10(14)15)9-6-12-7-13-9/h6-8H,1-5,11H2,(H,12,13)(H,14,15)","XZPKPIITOZJCFP-UHFFFAOYSA-N",-34224.1704428588,10902.5173155358,33785.3955201824,{"$nulls":3},6.73738657935024]
["D15726",386,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395741","NCCCCCC(CS)C(O)=O","InChI=1S/C8H17NO2S/c9-5-3-1-2-4-7(6-12)8(10)11/h7,12H,1-6,9H2,(H,10,11)","OWVFNXQLXNWAHW-UHFFFAOYSA-N",null,3.4]
["D15727",394,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395734","NCCCCCC(C[Se]C(=O)CCCc1ccccc1)C(O)=O","InChI=1S/C18H27NO3Se/c19-13-6-2-5-11-16(18(21)22)14-23-17(20)12-7-10-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14,19H2,(H,21,22)","KMMJFXKNWGNVOX-UHFFFAOYSA-N",null,4.1]
["D15728",400,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395733","NCCCCCC(C[Se]C(=O)CCc1ccccc1)C(O)=O","InChI=1S/C17H25NO3Se/c18-12-6-2-5-9-15(17(20)21)13-22-16(19)11-10-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13,18H2,(H,20,21)","JNRHODQLZKDDMA-UHFFFAOYSA-N",null,5.3]
["D15729",374,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395737","NCCCCCC(C[Se][Se]CC(CCCCCN)C(O)=O)C(O)=O","InChI=1S/C16H32N2O4Se2/c17-9-5-1-3-7-13(15(19)20)11-23-24-12-14(16(21)22)8-4-2-6-10-18/h13-14H,1-12,17-18H2,(H,19,20)(H,21,22)","RUZIZPNQGMERCW-UHFFFAOYSA-N",null,2]
["D15730",28706,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50215078","NCCCCCCCCN(CCCN=C(N)N)C(=O)C=CC(=O)NCCCN=C(N)N","InChI=1S/C20H41N9O2/c21-11-5-3-1-2-4-6-15-29(16-8-14-28-20(24)25)18(31)10-9-17(30)26-12-7-13-27-19(22)23/h9-10H,1-8,11-16,21H2,(H,26,30)(H4,22,23,27)(H4,24,25,28)","LBQPASXFLGYYQQ-UHFFFAOYSA-N",null,27000]
["D15731",28650,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50215073","NCCCCCCCCN(CCCNc1ccnc2ccccc12)C(=O)\\C=C\\C(=O)NCCCNc1ccnc2ccccc12","InChI=1S/C36H47N7O2/c37-21-9-3-1-2-4-10-27-43(28-12-24-39-34-20-26-41-32-16-8-6-14-30(32)34)36(45)18-17-35(44)42-23-11-22-38-33-19-25-40-31-15-7-5-13-29(31)33/h5-8,13-20,25-26H,1-4,9-12,21-24,27-28,37H2,(H,38,40)(H,39,41)(H,42,44)/b18-17+","OVNDXYRFVJTLKL-ISLYRVAYSA-N",null,490]
["D15732",701,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575742","NCCCC[C@@]1(CN(Cc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C16H25N2O4P/c17-9-5-4-8-16(15(19)20)13-18(10-11-23(16,21)22)12-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13,17H2,(H,19,20)(H,21,22)/t16-/m1/s1","ZNSVXALGZJWZDW-MRXNPFEDSA-N",null,10700]
["D15733",512,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197541","NCCCC[C@H](NC(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CC2CCC1C2)C(O)=O","InChI=1S/C23H40N4O4/c24-11-5-4-8-18(22(29)30)26-23(31)27-20(13-15-6-2-1-3-7-15)21(28)25-19-14-16-9-10-17(19)12-16/h15-20H,1-14,24H2,(H,25,28)(H,29,30)(H2,26,27,31)/t16?,17?,18-,19?,20-/m0/s1","HKPGTWCJLYFZSN-KJPRWFPHSA-N",null,38]
["D15734",696,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173893","NCCCC[C@H](NC(=O)N[C@@H]1Cc2ccc(OCCCCOCCNC1=O)cc2)C(O)=O","InChI=1S/C22H34N4O6/c23-10-2-1-5-18(21(28)29)25-22(30)26-19-15-16-6-8-17(9-7-16)32-13-4-3-12-31-14-11-24-20(19)27/h6-9,18-19H,1-5,10-15,23H2,(H,24,27)(H,28,29)(H2,25,26,30)/t18-,19+/m0/s1","FFCFLBMRACESBH-RBUKOAKNSA-N",null,9044,{"$nulls":4},7.4,"25.00 C"]
["D15735",630,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173899","NCCCC[C@H](NC(=O)N[C@@H]1Cc2ccc(OCCCCOC[C@@H](NC1=O)C1CCCCC1)cc2)C(O)=O","InChI=1S/C28H44N4O6/c29-15-5-4-10-23(27(34)35)31-28(36)32-24-18-20-11-13-22(14-12-20)38-17-7-6-16-37-19-25(30-26(24)33)21-8-2-1-3-9-21/h11-14,21,23-25H,1-10,15-19,29H2,(H,30,33)(H,34,35)(H2,31,32,36)/t23-,24+,25+/m0/s1","GGWRPAFPNBTEKN-ISJGIBHGSA-N",null,811,{"$nulls":4},7.4,"25.00 C"]
["D15736",544,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173897","NCCCC[C@H](NC(=O)N[C@@H]1Cc2ccc(OCCCCOC[C@@H](NC1=O)c1ccccc1)cc2)C(O)=O","InChI=1S/C28H38N4O6/c29-15-5-4-10-23(27(34)35)31-28(36)32-24-18-20-11-13-22(14-12-20)38-17-7-6-16-37-19-25(30-26(24)33)21-8-2-1-3-9-21/h1-3,8-9,11-14,23-25H,4-7,10,15-19,29H2,(H,30,33)(H,34,35)(H2,31,32,36)/t23-,24+,25+/m0/s1","WBXDQFAEOODUOF-ISJGIBHGSA-N",null,71,{"$nulls":4},7.4,"25.00 C"]
["D15737",566,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173898","NCCCC[C@H](NC(=O)N[C@@H]1Cc2ccc(OCCCCOC[C@H](Cc3ccccc3)NC1=O)cc2)C(O)=O","InChI=1S/C29H40N4O6/c30-15-5-4-10-25(28(35)36)32-29(37)33-26-19-22-11-13-24(14-12-22)39-17-7-6-16-38-20-23(31-27(26)34)18-21-8-2-1-3-9-21/h1-3,8-9,11-14,23,25-26H,4-7,10,15-20,30H2,(H,31,34)(H,35,36)(H2,32,33,37)/t23-,25-,26+/m0/s1","ULIRNVGVKBVODJ-AYRHNUGRSA-N",null,105,{"$nulls":4},7.4,"25.00 C"]
["D15738",747,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089693","NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)N1CCCC1)C(O)=O","InChI=1S/C20H36N4O4/c21-11-5-4-10-16(19(26)27)22-20(28)23-17(14-15-8-2-1-3-9-15)18(25)24-12-6-7-13-24/h15-17H,1-14,21H2,(H,26,27)(H2,22,23,28)/t16-,17+/m0/s1","GJAAVXDJHXJNFO-DLBZAZTESA-N",null,59000]
["D15739",497,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089702","NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O","InChI=1S/C26H44N4O4/c27-9-5-4-8-21(24(32)33)28-25(34)29-22(13-17-6-2-1-3-7-17)23(31)30-26-14-18-10-19(15-26)12-20(11-18)16-26/h17-22H,1-16,27H2,(H,30,31)(H,32,33)(H2,28,29,34)/t18?,19?,20?,21-,22+,26?/m0/s1","VKZAQVIYSIRHRU-LJHZMQABSA-N",null,31]
["D15740",471,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089707","NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NC1C2CC3CC(C2)CC1C3)C(O)=O","InChI=1S/C26H44N4O4/c27-9-5-4-8-21(25(32)33)28-26(34)29-22(15-16-6-2-1-3-7-16)24(31)30-23-19-11-17-10-18(13-19)14-20(23)12-17/h16-23H,1-15,27H2,(H,30,31)(H,32,33)(H2,28,29,34)/t17?,18?,19?,20?,21-,22+,23?/m0/s1","UHQNMIWTWXKYFL-DUZZCOBJSA-N",null,19]
["D15741",514,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089741","NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NC1CC2CCC1C2)C(O)=O","InChI=1S/C23H40N4O4/c24-11-5-4-8-18(22(29)30)26-23(31)27-20(13-15-6-2-1-3-7-15)21(28)25-19-14-16-9-10-17(19)12-16/h15-20H,1-14,24H2,(H,25,28)(H,29,30)(H2,26,27,31)/t16?,17?,18-,19?,20+/m0/s1","HKPGTWCJLYFZSN-AXGZHYKBSA-N",null,39]
["D15742",585,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089694","NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NC1CCCCC1)C(O)=O","InChI=1S/C22H40N4O4/c23-14-8-7-13-18(21(28)29)25-22(30)26-19(15-16-9-3-1-4-10-16)20(27)24-17-11-5-2-6-12-17/h16-19H,1-15,23H2,(H,24,27)(H,28,29)(H2,25,26,30)/t18-,19+/m0/s1","CMEXWCUZEGJTGX-RBUKOAKNSA-N",null,170]
["D15743",571,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089737","NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NCC(c1ccccc1)c1ccccc1)C(O)=O","InChI=1S/C30H42N4O4/c31-19-11-10-18-26(29(36)37)33-30(38)34-27(20-22-12-4-1-5-13-22)28(35)32-21-25(23-14-6-2-7-15-23)24-16-8-3-9-17-24/h2-3,6-9,14-17,22,25-27H,1,4-5,10-13,18-21,31H2,(H,32,35)(H,36,37)(H2,33,34,38)/t26-,27+/m0/s1","MAADCGOFVALXMT-RRPNLBNLSA-N",null,120]
["D15744",644,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089739","NCCCC[C@H](NC(=O)N[C@H](CC1CCCCC1)C(=O)NCc1ccc(Cl)cc1)C(O)=O","InChI=1S/C23H35ClN4O4/c24-18-11-9-17(10-12-18)15-26-21(29)20(14-16-6-2-1-3-7-16)28-23(32)27-19(22(30)31)8-4-5-13-25/h9-12,16,19-20H,1-8,13-15,25H2,(H,26,29)(H,30,31)(H2,27,28,32)/t19-,20+/m0/s1","VBPKSMGVSGMMAR-VQTJNVASSA-N",null,1200]
["D15745",739,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197551","NCCCC[C@H](NS(=O)(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O","InChI=1S/C18H32N4O5S/c19-4-2-1-3-15(17(24)25)22-28(26,27)20-11-16(23)21-18-8-12-5-13(9-18)7-14(6-12)10-18/h12-15,20,22H,1-11,19H2,(H,21,23)(H,24,25)/t12?,13?,14?,15-,18?/m0/s1","HTKDZHKDQXOVDZ-URZJAHPPSA-N",null,">30000"]
["D15746",614,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197540","NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O","InChI=1S/C25H44N4O5S/c26-9-5-4-8-21(24(31)32)28-35(33,34)29-22(13-17-6-2-1-3-7-17)23(30)27-25-14-18-10-19(15-25)12-20(11-18)16-25/h17-22,28-29H,1-16,26H2,(H,27,30)(H,31,32)/t18?,19?,20?,21-,22-,25?/m0/s1","ABGAZACYUFFMDV-LYSMGBOCSA-N",null,490]
["D15747",584,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197557","NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CC2CC1C1CCCC21)C(O)=O","InChI=1S/C25H44N4O5S/c26-12-5-4-11-21(25(31)32)28-35(33,34)29-23(13-16-7-2-1-3-8-16)24(30)27-22-15-17-14-20(22)19-10-6-9-18(17)19/h16-23,28-29H,1-15,26H2,(H,27,30)(H,31,32)/t17?,18?,19?,20?,21-,22?,23-/m0/s1","SLROOTQKYKGVCV-SWISWOKGSA-N",null,170]
["D15748",625,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197550","NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CCC2CCCCC2C1)C(O)=O","InChI=1S/C25H46N4O5S/c26-15-7-6-12-22(25(31)32)28-35(33,34)29-23(16-18-8-2-1-3-9-18)24(30)27-21-14-13-19-10-4-5-11-20(19)17-21/h18-23,28-29H,1-17,26H2,(H,27,30)(H,31,32)/t19?,20?,21?,22-,23-/m0/s1","ACZMKSFVIZOHQL-WBLOSPSNSA-N",null,670]
["D15749",657,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197560","NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)NC1CCCCC1)C(O)=O","InChI=1S/C21H40N4O5S/c22-14-8-7-13-18(21(27)28)24-31(29,30)25-19(15-16-9-3-1-4-10-16)20(26)23-17-11-5-2-6-12-17/h16-19,24-25H,1-15,22H2,(H,23,26)(H,27,28)/t18-,19-/m0/s1","JAJRRGCSNAXOQY-OALUTQOASA-N",null,1700]
["D15750",600,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197533","NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)C(O)=O","InChI=1S/C22H40N4O5S/c23-11-5-4-8-18(22(28)29)25-32(30,31)26-20(13-15-6-2-1-3-7-15)21(27)24-19-14-16-9-10-17(19)12-16/h15-20,25-26H,1-14,23H2,(H,24,27)(H,28,29)/t16-,17-,18-,19+,20-/m0/s1","PZCYVEWXVUJWOV-FSGKZVOOSA-N",null,330]
["D15751",609,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197570","NCCCC[C@H](NS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2)C(O)=O","InChI=1S/C22H40N4O5S/c23-11-5-4-8-18(22(28)29)25-32(30,31)26-20(13-15-6-2-1-3-7-15)21(27)24-19-14-16-9-10-17(19)12-16/h15-20,25-26H,1-14,23H2,(H,24,27)(H,28,29)/t16-,17-,18-,19-,20-/m0/s1","PZCYVEWXVUJWOV-HVTWWXFQSA-N",null,420]
["D15752",662,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197539","NCCCC[C@H](NS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2)C(O)=O","InChI=1S/C25H38N4O5S/c26-9-5-4-8-21(24(31)32)28-35(33,34)29-22(13-17-6-2-1-3-7-17)23(30)27-25-14-18-10-19(15-25)12-20(11-18)16-25/h1-3,6-7,18-22,28-29H,4-5,8-16,26H2,(H,27,30)(H,31,32)/t18?,19?,20?,21-,22-,25?/m0/s1","PMFATEWIKGNXDY-LYSMGBOCSA-N",null,2100]
["D15753",738,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197569","NCCCC[C@H](NS(=O)(=O)N[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1)C(O)=O","InChI=1S/C24H36N4O5S/c25-9-5-4-8-20(23(30)31)27-34(32,33)28-21(19-6-2-1-3-7-19)22(29)26-24-13-16-10-17(14-24)12-18(11-16)15-24/h1-3,6-7,16-18,20-21,27-28H,4-5,8-15,25H2,(H,26,29)(H,30,31)/t16?,17?,18?,20-,21-,24?/m0/s1","GCICTGIAMWBFOG-BOSZTNLGSA-N",null,">30000"]
["D15754",749,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197571","NCCCC[C@H](NS(=O)(=O)N[C@H](CC1CCCCC1)C(=O)NC1CC2CCC1C2)C(O)=O","InChI=1S/C22H40N4O5S/c23-11-5-4-8-18(22(28)29)25-32(30,31)26-20(13-15-6-2-1-3-7-15)21(27)24-19-14-16-9-10-17(19)12-16/h15-20,25-26H,1-14,23H2,(H,24,27)(H,28,29)/t16?,17?,18-,19?,20+/m0/s1","PZCYVEWXVUJWOV-AXGZHYKBSA-N",null,75000]
["D15755",705,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50197527","NCCCC[C@H](NS(N)(=O)=O)C(O)=O","InChI=1S/C6H15N3O4S/c7-4-2-1-3-5(6(10)11)9-14(8,12)13/h5,9H,1-4,7H2,(H,10,11)(H2,8,12,13)/t5-/m0/s1","IASBEZUWLDLXMF-YFKPBYRVSA-N",null,15000]
["D15756",4089,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66979","NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O","InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1","RLAWWYSOJDYHDC-BZSNNMDCSA-N",{"$nulls":3},">350000"]
["D15757",436,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575773","NCCCC[C@]1(CN(Cc2ccc(Cl)cc2-c2ccc(Cl)cc2)CCP1(O)=O)C(O)=O","InChI=1S/C22H27Cl2N2O4P/c23-18-6-3-16(4-7-18)20-13-19(24)8-5-17(20)14-26-11-12-31(29,30)22(15-26,21(27)28)9-1-2-10-25/h3-8,13H,1-2,9-12,14-15,25H2,(H,27,28)(H,29,30)/t22-/m0/s1","VBCOTJUTZGERNO-QFIPXVFZSA-N",null,10]
["D15758",440,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575774","NCCCC[C@]1(CN(Cc2ccc(F)cc2-c2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C22H28FN2O4P/c23-19-9-8-18(20(14-19)17-6-2-1-3-7-17)15-25-12-13-30(28,29)22(16-25,21(26)27)10-4-5-11-24/h1-3,6-9,14H,4-5,10-13,15-16,24H2,(H,26,27)(H,28,29)/t22-/m0/s1","MUVQYNFUWURBHA-QFIPXVFZSA-N",null,11]
["D15759",397,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575775","NCCCC[C@]1(CN(Cc2ccc(F)cc2-c2cncnc2)CCP1(O)=O)C(O)=O","InChI=1S/C20H26FN4O4P/c21-17-4-3-15(18(9-17)16-10-23-14-24-11-16)12-25-7-8-30(28,29)20(13-25,19(26)27)5-1-2-6-22/h3-4,9-11,14H,1-2,5-8,12-13,22H2,(H,26,27)(H,28,29)/t20-/m0/s1","OMPACBMICGZNQY-FQEVSTJZSA-N",null,5]
["D15760",431,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575772","NCCCC[C@]1(CN(Cc2ccc(O)cc2-c2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C22H29N2O5P/c23-11-5-4-10-22(21(26)27)16-24(12-13-30(22,28)29)15-18-8-9-19(25)14-20(18)17-6-2-1-3-7-17/h1-3,6-9,14,25H,4-5,10-13,15-16,23H2,(H,26,27)(H,28,29)/t22-/m0/s1","UUDVFKVEPYQVEW-QFIPXVFZSA-N",null,9]
["D15761",558,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575741","NCCCC[C@]1(CN(Cc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C16H25N2O4P/c17-9-5-4-8-16(15(19)20)13-18(10-11-23(16,21)22)12-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13,17H2,(H,19,20)(H,21,22)/t16-/m0/s1","ZNSVXALGZJWZDW-INIZCTEOSA-N",null,100]
["D15762",3682,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50426287","NCCC[C@H](C[C@H](N)C(O)=O)C(O)=O","InChI=1S/C8H16N2O4/c9-3-1-2-5(7(11)12)4-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)/t5-,6+/m1/s1","APZMCUMLPRUVCO-RITPCOANSA-N",{"$nulls":3},">1000000"]
["D15763",448,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326365","NCCC[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccc1","InChI=1S/C16H19N3O2/c17-8-4-5-12-9-16(12,15(20)21)14-10-19(11-18-14)13-6-2-1-3-7-13/h1-3,6-7,10-12H,4-5,8-9,17H2,(H,20,21)/t12-,16+/m0/s1","YKCVEFPDNCZBMZ-BLLLJJGKSA-N",null,13]
["D15764",13654,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19264243","NCCC[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccc2","InChI=1S/C16H19N3O2/c17-8-4-5-12-9-16(12,15(20)21)14-10-19(11-18-14)13-6-2-1-3-7-13/h1-3,6-7,10-12H,4-5,8-9,17H2,(H,20,21)/t12-,16+/m0/s2","YKCVEFPDNCZBMZ-BLLLJJGKSA-N",-10931.6029754574,51.8283753547885,33640.7319836116,{"$nulls":3},6.73728594657016]
["D15765",438,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM326383","NCCC[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccn1","InChI=1S/C15H18N4O2/c16-6-3-4-11-8-15(11,14(20)21)12-9-19(10-18-12)13-5-1-2-7-17-13/h1-2,5,7,9-11H,3-4,6,8,16H2,(H,20,21)/t11-,15+/m0/s1","AQKZQQRNPNJJEQ-XHDPSFHLSA-N",null,11]
["D15766",13644,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19262292","NCCC[C@H]1C[C@]1(C(O)=O)c1cn(cn1)-c1ccccn2","InChI=1S/C15H18N4O2/c16-6-3-4-11-8-15(11,14(20)21)12-9-19(10-18-12)13-5-1-2-7-17-13/h1-2,5,7,9-11H,3-4,6,8,16H2,(H,20,21)/t11-,15+/m0/s2","AQKZQQRNPNJJEQ-XHDPSFHLSA-N",-9909.99913916791,49.0180870605201,33634.3870916567,{"$nulls":3},6.73728153285174]
["D15767",548,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008273","NCCC[C@]1(CCc2c(C1)ncn2C1CCCCC1)C(O)=O","InChI=1S/C17H27N3O2/c18-10-4-8-17(16(21)22)9-7-15-14(11-17)19-12-20(15)13-5-2-1-3-6-13/h12-13H,1-11,18H2,(H,21,22)/t17-/m1/s1","HYXCCZTWQBSAJR-QGZVFWFLSA-N",null,80]
["D15768",567,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008274","NCCC[C@]1(CCc2c(C1)ncn2Cc1cccc(c1)-c1ccccc1)C(O)=O","InChI=1S/C24H27N3O2/c25-13-5-11-24(23(28)29)12-10-22-21(15-24)26-17-27(22)16-18-6-4-9-20(14-18)19-7-2-1-3-8-19/h1-4,6-9,14,17H,5,10-13,15-16,25H2,(H,28,29)/t24-/m1/s1","XFDUWSDSIRIRFB-XMMPIXPASA-N",null,106]
["D15769",539,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50008278","NCCC[C@]1(CCn2c(C1)ncc2-c1ccccc1)C(O)=O","InChI=1S/C17H21N3O2/c18-9-4-7-17(16(21)22)8-10-20-14(12-19-15(20)11-17)13-5-2-1-3-6-13/h1-3,5-6,12H,4,7-11,18H2,(H,21,22)/t17-/m1/s1","QUVXXNLGVUXFKY-QGZVFWFLSA-N",null,66]
["D15770",339,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226614","NCCN[C@@H](Cc1cn(CC2CCC2)cn1)C(O)=O","InChI=1S/C13H22N4O2/c14-4-5-15-12(13(18)19)6-11-8-17(9-16-11)7-10-2-1-3-10/h8-10,12,15H,1-7,14H2,(H,18,19)/t12-/m0/s1","BYGNYBXYEDTEJQ-LBPRGKRZSA-N",124]
["D15771",338,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226611","NCCN[C@@H](Cc1cn(CCCO)cn1)C(O)=O","InChI=1S/C11H20N4O3/c12-2-3-13-10(11(17)18)6-9-7-15(8-14-9)4-1-5-16/h7-8,10,13,16H,1-6,12H2,(H,17,18)/t10-/m0/s1","RCYDGVHMVIQVSF-JTQLQIEISA-N",111]
["D15772",340,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226613","NCCN[C@@H](Cc1cn(CCc2ccccc2)cn1)C(O)=O","InChI=1S/C16H22N4O2/c17-7-8-18-15(16(21)22)10-14-11-20(12-19-14)9-6-13-4-2-1-3-5-13/h1-5,11-12,15,18H,6-10,17H2,(H,21,22)/t15-/m0/s1","KIBISFXBVFKORC-HNNXBMFYSA-N",140]
["D15773",346,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226608","NCCN[C@@H](Cc1cn(Cc2ccccc2)cn1)C(O)=O","InChI=1S/C15H20N4O2/c16-6-7-17-14(15(20)21)8-13-10-19(11-18-13)9-12-4-2-1-3-5-12/h1-5,10-11,14,17H,6-9,16H2,(H,20,21)/t14-/m0/s1","RZHAWQYSDSVTHN-AWEZNQCLSA-N",269]
["D15774",348,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226600","NCCN[C@@H](Cc1cnc[nH]1)C(O)=O","InChI=1S/C8H14N4O2/c9-1-2-11-7(8(13)14)3-6-4-10-5-12-6/h4-5,7,11H,1-3,9H2,(H,10,12)(H,13,14)/t7-/m0/s1","HRGIXOAUBWGTCB-ZETCQYMHSA-N",344]
["D15775",359,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50226612","NCCN[C@H](Cc1cnc[nH]1)C(O)=O","InChI=1S/C8H14N4O2/c9-1-2-11-7(8(13)14)3-6-4-10-5-12-6/h4-5,7,11H,1-3,9H2,(H,10,12)(H,13,14)/t7-/m1/s1","HRGIXOAUBWGTCB-SSDOTTSWSA-N",17000]
["D15776",329,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305348","NCCO[C@@H](Cc1cn(CCC2CCCCC2)cn1)C(O)=O","InChI=1S/C16H27N3O3/c17-7-9-22-15(16(20)21)10-14-11-19(12-18-14)8-6-13-4-2-1-3-5-13/h11-13,15H,1-10,17H2,(H,20,21)/t15-/m0/s1","VAABNDTVXFVLFU-HNNXBMFYSA-N",8.2]
["D15777",323,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50305346","NCCO[C@@H](Cc1cn(cn1)-c1ccccc1)C(O)=O","InChI=1S/C14H17N3O3/c15-6-7-20-13(14(18)19)8-11-9-17(10-16-11)12-4-2-1-3-5-12/h1-5,9-10,13H,6-8,15H2,(H,18,19)/t13-/m0/s1","LVCATUGNENEDGZ-ZDUSSCGKSA-N",3.5]
["D15778",3683,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50426288","NCC[C@H](C[C@H](N)C(O)=O)C(O)=O","InChI=1S/C7H14N2O4/c8-2-1-4(6(10)11)3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5+/m1/s1","GCNPPUQKACZOES-UHNVWZDZSA-N",{"$nulls":3},">1000000"]
["D15779",31627,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50279839","NCCc1cn(cn1)C(=O)c1ccccc1","InChI=1S/C12H13N3O/c13-7-6-11-8-15(9-14-11)12(16)10-4-2-1-3-5-10/h1-5,8-9H,6-7,13H2","LGGPDUCDDGTTBT-UHFFFAOYSA-N",110]
["D15780",28700,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3","Rattus norvegicus","BDBM50215074","NCc1ccc(cc1)-c1ccc(CN(CCCN=C(N)N)C(=O)C=CC(=O)NCCCN=C(N)N)cc1","InChI=1S/C26H37N9O2/c27-17-19-3-7-21(8-4-19)22-9-5-20(6-10-22)18-35(16-2-15-34-26(30)31)24(37)12-11-23(36)32-13-1-14-33-25(28)29/h3-12H,1-2,13-18,27H2,(H,32,36)(H4,28,29,33)(H4,30,31,34)","XOAAOGWOVZJPNN-UHFFFAOYSA-N",null,17000]
["D15781",15497,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144140","NCc1ccnc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1","InChI=1S/C23H23N5O2/c24-14-16-3-7-26-22(11-16)28-23-13-18(4-8-27-23)17-1-2-21(19(12-17)15-25)30-20-5-9-29-10-6-20/h1-4,7-8,11-13,20H,5-6,9-10,14,24H2,(H,26,27,28)","TUIAFUOZECMRAZ-UHFFFAOYSA-N",null,30,{"$nulls":4},7.5,"30.00 C"]
["D15782",16524,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357891","NNC(=N)c1cc2c(nc1N)oc1ccc(cc1c2=O)C1=CCCCC1","InChI=1S/C19H19N5O2/c20-17-14(18(21)24-22)9-13-16(25)12-8-11(10-4-2-1-3-5-10)6-7-15(12)26-19(13)23-17/h4,6-9H,1-3,5,22H2,(H2,20,23)(H2,21,24)","OHIPOVPIQLPWDF-UHFFFAOYSA-N",null,320]
["D15783",16750,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357892","NNC(=N)c1cc2c(nc1N)oc1ccc(cc1c2=O)C1CCCCC1","InChI=1S/C19H21N5O2/c20-17-14(18(21)24-22)9-13-16(25)12-8-11(10-4-2-1-3-5-10)6-7-15(12)26-19(13)23-17/h6-10H,1-5,22H2,(H2,20,23)(H2,21,24)","PSVKQXPKQMLVID-UHFFFAOYSA-N",null,600]
["D15784",11782,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87271","NNC(=O)c1cc2ccccc2cc1O","InChI=1S/C11H10N2O2/c12-13-11(15)9-5-7-3-1-2-4-8(7)6-10(9)14/h1-6,14H,12H2,(H,13,15)","FDNAQCWUERCJBK-UHFFFAOYSA-N",null,1575]
["D15785",31718,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46379","NNC(=O)c1cccc(COc2ccccc2Br)c1","InChI=1S/C14H13BrN2O2/c15-12-6-1-2-7-13(12)19-9-10-4-3-5-11(8-10)14(18)17-16/h1-8H,9,16H2,(H,17,18)","JSXKLQRJLWUDJY-UHFFFAOYSA-N",null,11740]
["D15786",12034,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43165","NNC(=O)c1cnn(c1-n1cccc1)-c1ccccc1","InChI=1S/C14H13N5O/c15-17-13(20)12-10-16-19(11-6-2-1-3-7-11)14(12)18-8-4-5-9-18/h1-10H,15H2,(H,17,20)","CXZMPXJTNZMSKQ-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D15787",12048,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43179","NNc1nc2c(nnn2c2ccccc12)-c1ccc(F)cc1","InChI=1S/C15H11FN6/c16-10-7-5-9(6-8-10)13-15-18-14(19-17)11-3-1-2-4-12(11)22(15)21-20-13/h1-8H,17H2,(H,18,19)","YNTQFMNXFJVSLU-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D15788",31731,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43654","NNc1ncnc2sc3CCCc3c12","InChI=1S/C9H10N4S/c10-13-8-7-5-2-1-3-6(5)14-9(7)12-4-11-8/h4H,1-3,10H2,(H,11,12,13)","VZXTYNJVVIGIIQ-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D15789",14525,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277071","NS(=O)(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCN(CC(F)F)CC1","InChI=1S/C30H32F2N8O3S/c31-28(32)18-38-11-13-39(14-12-38)23-4-1-20(2-5-23)26-16-25-29(35-19-36-30(25)37-26)21-3-6-27(22(15-21)17-33)43-24-7-9-40(10-8-24)44(34,41)42/h1-6,15-16,19,24,28H,7-14,18H2,(H2,34,41,42)(H,35,36,37)","VDJUSWIEPUHXFA-UHFFFAOYSA-N",null,3.07,{"$nulls":4},7]
["D15790",14524,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM377245","NS(=O)(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(nc12)-c1ccc(cc1)N1CCN(CC(F)F)CC1","InChI=1S/C29H31F2N9O3S/c30-25(31)17-38-11-13-39(14-12-38)22-4-1-19(2-5-22)28-36-27-26(34-18-35-29(27)37-28)20-3-6-24(21(15-20)16-32)43-23-7-9-40(10-8-23)44(33,41)42/h1-6,15,18,23,25H,7-14,17H2,(H2,33,41,42)(H,34,35,36,37)","PXUIBQBQLMPTDC-UHFFFAOYSA-N",null,3.07]
["D15791",17749,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277070","NS(=O)(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(nc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C27H28N8O4S/c28-16-20-15-19(3-6-23(20)39-22-7-9-35(10-8-22)40(29,36)37)24-25-27(31-17-30-24)33-26(32-25)18-1-4-21(5-2-18)34-11-13-38-14-12-34/h1-6,15,17,22H,7-14H2,(H2,29,36,37)(H,30,31,32,33)","JJHLJDMKVZRQKK-UHFFFAOYSA-N",null,2.08]
["D15792",4206,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67089","NS(=O)(=O)c1ccc(CCNC(=O)CN2CCN(CC2)S(=O)(=O)c2ccccc2F)cc1","InChI=1S/C20H25FN4O5S2/c21-18-3-1-2-4-19(18)32(29,30)25-13-11-24(12-14-25)15-20(26)23-10-9-16-5-7-17(8-6-16)31(22,27)28/h1-8H,9-15H2,(H,23,26)(H2,22,27,28)","AGSHGKWTXOVFCL-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15793",4613,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66562","NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3OCCOc3c2)cc1","InChI=1S/C17H18N2O5S/c18-25(21,22)14-4-1-12(2-5-14)7-8-19-17(20)13-3-6-15-16(11-13)24-10-9-23-15/h1-6,11H,7-10H2,(H,19,20)(H2,18,21,22)","ADDBPXVLKOHMBP-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15794",4545,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66501","NS(=O)(=O)c1ccc(N=NCc2cn(nc2-c2ccccc2)-c2ccccc2)c(c1)[N+]([O-])=O","InChI=1S/C22H18N6O4S/c23-33(31,32)19-11-12-20(21(13-19)28(29)30)25-24-14-17-15-27(18-9-5-2-6-10-18)26-22(17)16-7-3-1-4-8-16/h1-13,15H,14H2,(H2,23,31,32)","BGVUPGJHBJRJLA-UHFFFAOYSA-N",{"$nulls":3},27100]
["D15795",4748,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66672","NS(=O)(=O)c1ccc(NC(=O)CN2CCc3ccccc23)cc1","InChI=1S/C16H17N3O3S/c17-23(21,22)14-7-5-13(6-8-14)18-16(20)11-19-10-9-12-3-1-2-4-15(12)19/h1-8H,9-11H2,(H,18,20)(H2,17,21,22)","VPXUECXGOGSHFO-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15796",3902,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66823","NS(=O)(=O)c1ccc(NC(=O)c2ccc3CCCCc3c2)cc1","InChI=1S/C17H18N2O3S/c18-23(21,22)16-9-7-15(8-10-16)19-17(20)14-6-5-12-3-1-2-4-13(12)11-14/h5-11H,1-4H2,(H,19,20)(H2,18,21,22)","YKBPBJFIMIJLHK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15797",11902,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43049","NS(=O)(=O)c1ccc(NC(=S)NCc2ccc(Cl)cc2)cc1","InChI=1S/C14H14ClN3O2S2/c15-11-3-1-10(2-4-11)9-17-14(21)18-12-5-7-13(8-6-12)22(16,19)20/h1-8H,9H2,(H2,16,19,20)(H2,17,18,21)","YLGYZZQFFUNCMT-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D15798",4524,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM57696","NS(=O)(=O)c1ccc(NN=C2CCCCC2C2CCCCC2)c(c1)[N+]([O-])=O","InChI=1S/C18H26N4O4S/c19-27(25,26)14-10-11-17(18(12-14)22(23)24)21-20-16-9-5-4-8-15(16)13-6-2-1-3-7-13/h10-13,15,21H,1-9H2,(H2,19,25,26)","PQAKPTKEEHCJHD-UHFFFAOYSA-N",{"$nulls":3},38340]
["D15799",16350,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153735","NS(=O)(=O)c1ccc(N\\C=C2/C(=O)Nc3ccc4ncsc4c23)cc1","InChI=1S/C16H12N4O3S2/c17-25(22,23)10-3-1-9(2-4-10)18-7-11-14-12(20-16(11)21)5-6-13-15(14)24-8-19-13/h1-8,18H,(H,20,21)(H2,17,22,23)/b11-7-","LTYGAJVXAFJKSY-XFFZJAGNSA-N",null,174]
["D15800",12260,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87329","NS(=O)(=O)c1ccc(Sc2nc3ccccc3s2)c(c1)[N+]([O-])=O","InChI=1S/C13H9N3O4S3/c14-23(19,20)8-5-6-12(10(7-8)16(17)18)22-13-15-9-3-1-2-4-11(9)21-13/h1-7H,(H2,14,19,20)","FQQSKNXUFHXMHW-UHFFFAOYSA-N",null,15370]
["D15801",4039,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66940","NS(=O)(=O)c1ccc(cc1)-c1ccc(\\C=C2/C(=O)Nc3ccccc23)o1","InChI=1S/C19H14N2O4S/c20-26(23,24)14-8-5-12(6-9-14)18-10-7-13(25-18)11-16-15-3-1-2-4-17(15)21-19(16)22/h1-11H,(H,21,22)(H2,20,23,24)/b16-11-","GVLJYOXYVQIXNK-WJDWOHSUSA-N",{"$nulls":3},">350000"]
["D15802",4762,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66683","NS(=O)(=O)c1ccc(nc1)S(=O)(=O)c1ccccc1","InChI=1S/C11H10N2O4S2/c12-19(16,17)10-6-7-11(13-8-10)18(14,15)9-4-2-1-3-5-9/h1-8H,(H2,12,16,17)","KHCMJVYVNAVKCU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15803",4976,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50034503","N[C@@H](C1[C@H]([C@@H]1C(O)=O)C(O)=O)C(O)=O","InChI=1S/C7H9NO6/c8-4(7(13)14)1-2(5(9)10)3(1)6(11)12/h1-4H,8H2,(H,9,10)(H,11,12)(H,13,14)/t2-,3-,4+/m1/s1","MATPZHBYOVDBLI-JJYYJPOSSA-N",{"$nulls":3},40000]
["D15804",3449,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM17657","N[C@@H](CCC(O)=O)C(O)=O","InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1","WHUUTDBJXJRKMK-VKHMYHEASA-N",">10000"]
["D15805",3725,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50255369","N[C@@H](CCP(O)(=O)C(O)c1c(F)c(F)c(F)c(F)c1F)C(O)=O","InChI=1S/C11H11F5NO5P/c12-5-4(6(13)8(15)9(16)7(5)14)11(20)23(21,22)2-1-3(17)10(18)19/h3,11,20H,1-2,17H2,(H,18,19)(H,21,22)/t3-,11?/m0/s1","JSRDFWNYGOLQRY-HJNJIHEWSA-N",{"$nulls":3},">100000"]
["D15806",3722,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50255407","N[C@@H](CCP(O)(=O)C(O)c1cc(F)c(O)c(c1)[N+]([O-])=O)C(O)=O","InChI=1S/C11H14FN2O8P/c12-6-3-5(4-8(9(6)15)14(19)20)11(18)23(21,22)2-1-7(13)10(16)17/h3-4,7,11,15,18H,1-2,13H2,(H,16,17)(H,21,22)/t7-,11?/m0/s1","XLCBJZCNPXZIGH-RGENBBCFSA-N",{"$nulls":3},51200]
["D15807",3721,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50255334","N[C@@H](CCP(O)(=O)C(O)c1cc(O)c(O)c(c1)[N+]([O-])=O)C(O)=O","InChI=1S/C11H15N2O9P/c12-6(10(16)17)1-2-23(21,22)11(18)5-3-7(13(19)20)9(15)8(14)4-5/h3-4,6,11,14-15,18H,1-2,12H2,(H,16,17)(H,21,22)/t6-,11?/m0/s1","QOLNTYLPEHVBQY-OCAOPBLFSA-N",{"$nulls":3},">100000"]
["D15808",3636,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50255338","N[C@@H](CCP(O)(=O)C(O)c1ccc(Cl)c(c1)[N+]([O-])=O)C(O)=O","InChI=1S/C11H14ClN2O7P/c12-7-2-1-6(5-9(7)14(18)19)11(17)22(20,21)4-3-8(13)10(15)16/h1-2,5,8,11,17H,3-4,13H2,(H,15,16)(H,20,21)/t8-,11?/m0/s1","QANOEHVMUYBMFS-YMNIQAILSA-N",{"$nulls":3},">100000"]
["D15809",3635,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50255390","N[C@@H](CCP(O)(=O)C(O)c1ccc(F)c(c1)[N+]([O-])=O)C(O)=O","InChI=1S/C11H14FN2O7P/c12-7-2-1-6(5-9(7)14(18)19)11(17)22(20,21)4-3-8(13)10(15)16/h1-2,5,8,11,17H,3-4,13H2,(H,15,16)(H,20,21)/t8-,11?/m0/s1","SOUDJAGEISDWBV-YMNIQAILSA-N",{"$nulls":3},">100000"]
["D15810",3643,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50255294","N[C@@H](CCP(O)(=O)C(O)c1ccc(N)cc1)C(O)=O","InChI=1S/C11H17N2O5P/c12-8-3-1-7(2-4-8)11(16)19(17,18)6-5-9(13)10(14)15/h1-4,9,11,16H,5-6,12-13H2,(H,14,15)(H,17,18)/t9-,11?/m0/s1","HHOMYPVGQXHCJJ-FTNKSUMCSA-N",{"$nulls":3},11600]
["D15811",3637,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50255333","N[C@@H](CCP(O)(=O)C(O)c1ccc(N2CCOCC2)c(c1)[N+]([O-])=O)C(O)=O","InChI=1S/C15H22N3O8P/c16-11(14(19)20)3-8-27(24,25)15(21)10-1-2-12(13(9-10)18(22)23)17-4-6-26-7-5-17/h1-2,9,11,15,21H,3-8,16H2,(H,19,20)(H,24,25)/t11-,15?/m0/s1","BWTDMGDNYYGBNJ-VPHXOMNUSA-N",{"$nulls":3},">100000"]
["D15812",3650,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50255339","N[C@@H](CCP(O)(=O)C(O)c1ccc(O)c(c1)[N+]([O-])=O)C(O)=O","InChI=1S/C11H15N2O8P/c12-7(10(15)16)3-4-22(20,21)11(17)6-1-2-9(14)8(5-6)13(18)19/h1-2,5,7,11,14,17H,3-4,12H2,(H,15,16)(H,20,21)/t7-,11?/m0/s1","GAGSUJFFXBSIDN-RGENBBCFSA-N",{"$nulls":3},125000]
["D15813",4946,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM196906","N[C@@H](CCP(O)(=O)C(O)c1ccc(OCC(O)=O)cc1)C(O)=O","InChI=1S/C13H18NO8P/c14-10(12(17)18)5-6-23(20,21)13(19)8-1-3-9(4-2-8)22-7-11(15)16/h1-4,10,13,19H,5-7,14H2,(H,15,16)(H,17,18)(H,20,21)/t10-,13?/m0/s1","BGOFVWMHMQISHB-NKUHCKNESA-N",{"$nulls":3},11600]
["D15814",3724,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50255415","N[C@@H](CCP(O)(=O)C(O)c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O)C(O)=O","InChI=1S/C12H14F3N2O7P/c13-12(14,15)7-5-6(1-2-9(7)17(21)22)11(20)25(23,24)4-3-8(16)10(18)19/h1-2,5,8,11,20H,3-4,16H2,(H,18,19)(H,23,24)/t8-,11?/m0/s1","INJDHNMOEVKOSN-YMNIQAILSA-N",{"$nulls":3},">100000"]
["D15815",3644,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50255337","N[C@@H](CCP(O)(=O)C(O)c1ccc(c(c1)[N+]([O-])=O)C(F)(F)F)C(O)=O","InChI=1S/C12H14F3N2O7P/c13-12(14,15)7-2-1-6(5-9(7)17(21)22)11(20)25(23,24)4-3-8(16)10(18)19/h1-2,5,8,11,20H,3-4,16H2,(H,18,19)(H,23,24)/t8-,11?/m0/s1","RGHRXKZPSJWWED-YMNIQAILSA-N",{"$nulls":3},">100000"]
["D15816",3640,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50255416","N[C@@H](CCP(O)(=O)C(O)c1ccc(cc1)C(O)=O)C(O)=O","InChI=1S/C12H16NO7P/c13-9(11(16)17)5-6-21(19,20)12(18)8-3-1-7(2-4-8)10(14)15/h1-4,9,12,18H,5-6,13H2,(H,14,15)(H,16,17)(H,19,20)/t9-,12?/m0/s1","ADCBPOFFPQYZOO-QHGLUPRGSA-N",{"$nulls":3},169000]
["D15817",3727,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50255406","N[C@@H](CCP(O)(=O)C(O)c1ccc(cc1)[N+]([O-])=O)C(O)=O","InChI=1S/C11H15N2O7P/c12-9(10(14)15)5-6-21(19,20)11(16)7-1-3-8(4-2-7)13(17)18/h1-4,9,11,16H,5-6,12H2,(H,14,15)(H,19,20)/t9-,11?/m0/s1","LMOQYACPMUXBNC-FTNKSUMCSA-N",{"$nulls":3},">100000"]
["D15818",3641,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50255396","N[C@@H](CCP(O)(=O)C(O)c1ccc(o1)[N+]([O-])=O)C(O)=O","InChI=1S/C9H13N2O8P/c10-5(8(12)13)3-4-20(17,18)9(14)6-1-2-7(19-6)11(15)16/h1-2,5,9,14H,3-4,10H2,(H,12,13)(H,17,18)/t5-,9?/m0/s1","NZIOSFAHAYLFRF-GXRJOMEUSA-N",{"$nulls":3},1970000]
["D15819",3648,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50255397","N[C@@H](CCP(O)(=O)C(O)c1ccc(s1)[N+]([O-])=O)C(O)=O","InChI=1S/C9H13N2O7PS/c10-5(8(12)13)3-4-19(17,18)9(14)6-1-2-7(20-6)11(15)16/h1-2,5,9,14H,3-4,10H2,(H,12,13)(H,17,18)/t5-,9?/m0/s1","YEPPHAQTFJVTKS-GXRJOMEUSA-N",{"$nulls":3},">100000"]
["D15820",3713,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50255388","N[C@@H](CCP(O)(=O)C(O)c1cccc(c1)[N+]([O-])=O)C(O)=O","InChI=1S/C11H15N2O7P/c12-9(10(14)15)4-5-21(19,20)11(16)7-2-1-3-8(6-7)13(17)18/h1-3,6,9,11,16H,4-5,12H2,(H,14,15)(H,19,20)/t9-,11?/m0/s1","CAYKXAFYYYAPJS-FTNKSUMCSA-N",{"$nulls":3},">1000000"]
["D15821",3716,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50255292","N[C@@H](CCP(O)(=O)C(O)c1csc(c1)[N+]([O-])=O)C(O)=O","InChI=1S/C9H13N2O7PS/c10-6(8(12)13)1-2-19(17,18)9(14)5-3-7(11(15)16)20-4-5/h3-4,6,9,14H,1-2,10H2,(H,12,13)(H,17,18)/t6-,9?/m0/s1","GDELUTDICYGXSV-AADKRJSRSA-N",{"$nulls":3},418000]
["D15822",5006,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50314797","N[C@@H](CCP(O)(=O)CC(Cl)C(O)=O)C(O)=O","InChI=1S/C7H13ClNO6P/c8-4(6(10)11)3-16(14,15)2-1-5(9)7(12)13/h4-5H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4?,5-/m0/s1","FQUOPRSIELVFTB-AKGZTFGVSA-N",{"$nulls":3},">100000"]
["D15823",3726,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50314793","N[C@@H](CCP(O)(=O)CCC(O)=O)C(O)=O","InChI=1S/C7H14NO6P/c8-5(7(11)12)1-3-15(13,14)4-2-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)(H,13,14)/t5-/m0/s1","CIOKCIBFBZYLCA-YFKPBYRVSA-N",{"$nulls":3},89000]
["D15824",3718,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50255391","N[C@@H](CCP(O)(=O)Cc1ccc(O)c(c1)[N+]([O-])=O)C(O)=O","InChI=1S/C11H15N2O7P/c12-8(11(15)16)3-4-21(19,20)6-7-1-2-10(14)9(5-7)13(17)18/h1-2,5,8,14H,3-4,6,12H2,(H,15,16)(H,19,20)/t8-/m0/s1","ZJMMIQORYZRSFH-QMMMGPOBSA-N",{"$nulls":3},">100000"]
["D15825",3639,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50255336","N[C@@H](CCP(O)(=O)Cc1cccc(c1)[N+]([O-])=O)C(O)=O","InChI=1S/C11H15N2O6P/c12-10(11(14)15)4-5-20(18,19)7-8-2-1-3-9(6-8)13(16)17/h1-3,6,10H,4-5,7,12H2,(H,14,15)(H,18,19)/t10-/m0/s1","PJAHYIYYMNZBLN-JTQLQIEISA-N",{"$nulls":3},">100000"]
["D15826",3723,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50255414","N[C@@H](CCP(O)(=O)[C@@H](O)c1cc(F)c(O)c(c1)[N+]([O-])=O)C(O)=O","InChI=1S/C11H14FN2O8P/c12-6-3-5(4-8(9(6)15)14(19)20)11(18)23(21,22)2-1-7(13)10(16)17/h3-4,7,11,15,18H,1-2,13H2,(H,16,17)(H,21,22)/t7-,11+/m0/s1","XLCBJZCNPXZIGH-WRWORJQWSA-N",{"$nulls":3},53800]
["D15827",3717,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50255290","N[C@@H](CCP(O)(=O)[C@@H](O)c1ccc(O)c(c1)[N+]([O-])=O)C(O)=O","InChI=1S/C11H15N2O8P/c12-7(10(15)16)3-4-22(20,21)11(17)6-1-2-9(14)8(5-6)13(18)19/h1-2,5,7,11,14,17H,3-4,12H2,(H,15,16)(H,20,21)/t7-,11+/m0/s1","GAGSUJFFXBSIDN-WRWORJQWSA-N",{"$nulls":3},295000]
["D15828",3634,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50255437","N[C@@H](CCP(O)(=O)[C@@H](O)c1cccc(c1)[N+]([O-])=O)C(O)=O","InChI=1S/C11H15N2O7P/c12-9(10(14)15)4-5-21(19,20)11(16)7-2-1-3-8(6-7)13(17)18/h1-3,6,9,11,16H,4-5,12H2,(H,14,15)(H,19,20)/t9-,11+/m0/s1","CAYKXAFYYYAPJS-GXSJLCMTSA-N",{"$nulls":3},">100000"]
["D15829",3647,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50255435","N[C@@H](CCP(O)(=O)[C@H](O)c1cc(F)c(O)c(c1)[N+]([O-])=O)C(O)=O","InChI=1S/C11H14FN2O8P/c12-6-3-5(4-8(9(6)15)14(19)20)11(18)23(21,22)2-1-7(13)10(16)17/h3-4,7,11,15,18H,1-2,13H2,(H,16,17)(H,21,22)/t7-,11-/m0/s1","XLCBJZCNPXZIGH-CPCISQLKSA-N",{"$nulls":3},39000]
["D15830",3638,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50255340","N[C@@H](CCP(O)(=O)[C@H](O)c1ccc(O)c(c1)[N+]([O-])=O)C(O)=O","InChI=1S/C11H15N2O8P/c12-7(10(15)16)3-4-22(20,21)11(17)6-1-2-9(14)8(5-6)13(18)19/h1-2,5,7,11,14,17H,3-4,12H2,(H,15,16)(H,20,21)/t7-,11-/m0/s1","GAGSUJFFXBSIDN-CPCISQLKSA-N",{"$nulls":3},62000]
["D15831",3633,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50255389","N[C@@H](CCP(O)(=O)[C@H](O)c1cccc(c1)[N+]([O-])=O)C(O)=O","InChI=1S/C11H15N2O7P/c12-9(10(14)15)4-5-21(19,20)11(16)7-2-1-3-8(6-7)13(17)18/h1-3,6,9,11,16H,4-5,12H2,(H,14,15)(H,19,20)/t9-,11-/m0/s1","CAYKXAFYYYAPJS-ONGXEEELSA-N",{"$nulls":3},">100000"]
["D15832",3457,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50007548","N[C@@H](CCP(O)(O)=O)C(O)=O","InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1","DDOQBQRIEWHWBT-VKHMYHEASA-N",175000]
["D15833",4987,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50220011","N[C@@H](CCP(O)(O)=S)C(O)=O","InChI=1S/C4H10NO4PS/c5-3(4(6)7)1-2-10(8,9)11/h3H,1-2,5H2,(H,6,7)(H2,8,9,11)/t3-/m0/s1","SBYYVZHQFAJJDQ-VKHMYHEASA-N",{"$nulls":3},197000]
["D15834",4989,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50220009","N[C@@H](CCP(O)=O)C(O)=O","InChI=1S/C4H10NO4P/c5-3(4(6)7)1-2-10(8)9/h3,10H,1-2,5H2,(H,6,7)(H,8,9)/t3-/m0/s1","IDBRULKICVRMNG-VKHMYHEASA-N",{"$nulls":3},">500000"]
["D15835",11749,"7nxa_C",0.5,"Spike protein S1","Histone-lysine N-methyltransferase ASH1L","Homo sapiens","BDM50530712","N[C@@H](CC[C@@H](C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C#Cc1cccc(c1)C(N)=O)C(O)=O","InChI=1S/C24H27N7O6/c25-15(24(35)36)7-6-13(5-4-12-2-1-3-14(8-12)21(27)34)9-16-18(32)19(33)23(37-16)31-11-30-17-20(26)28-10-29-22(17)31/h1-3,8,10-11,13,15-16,18-19,23,32-33H,6-7,9,25H2,(H2,27,34)(H,35,36)(H2,26,28,29)/t13-,15-,16+,18+,19+,23+/m0/s1","QRKSTGPKAQGBDD-GGPTZFPQSA-N",null,">10000"]
["D15836",3448,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM17664","N[C@@H](COP(O)(O)=O)C(O)=O","InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1","BZQFBWGGLXLEPQ-REOHCLBHSA-N",">10000"]
["D15837",3685,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50252047","N[C@@H](C[C@@H](CC(O)=O)C(O)=O)C(O)=O","InChI=1S/C7H11NO6/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h3-4H,1-2,8H2,(H,9,10)(H,11,12)(H,13,14)/t3-,4-/m0/s1","QUHCPZVRCOASQB-IMJSIDKUSA-N",{"$nulls":3},">1000000"]
["D15838",3684,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50426290","N[C@@H](C[C@@H](CCC#N)C(O)=O)C(O)=O","InChI=1S/C8H12N2O4/c9-3-1-2-5(7(11)12)4-6(10)8(13)14/h5-6H,1-2,4,10H2,(H,11,12)(H,13,14)/t5-,6+/m1/s1","LBUMBNGDQWIQCM-RITPCOANSA-N",{"$nulls":3},">1000000"]
["D15839",3688,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50426289","N[C@@H](C[C@@H](CCC(=O)NO)C(O)=O)C(O)=O","InChI=1S/C8H14N2O6/c9-5(8(14)15)3-4(7(12)13)1-2-6(11)10-16/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+/m1/s1","VMZWGONYFYNQHE-UHNVWZDZSA-N",{"$nulls":3},">1000000"]
["D15840",3689,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50252049","N[C@@H](C[C@@H](CCC(O)=O)C(O)=O)C(O)=O","InChI=1S/C8H13NO6/c9-5(8(14)15)3-4(7(12)13)1-2-6(10)11/h4-5H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+/m1/s1","YSWVADAJIFHTLV-UHNVWZDZSA-N",{"$nulls":3},">1000000"]
["D15841",4991,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50159150","N[C@@H](C[C@@]1(C[C@@H]1C(O)=O)C(O)=O)C(O)=O","InChI=1S/C8H11NO6/c9-4(6(12)13)2-8(7(14)15)1-3(8)5(10)11/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4+,8-/m1/s1","BHSHZTNHTMTQFY-PDJPSNROSA-N",{"$nulls":3},">1000000"]
["D15842",4994,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50159148","N[C@@H](C[C@@]1(C[C@H]1C(O)=O)C(O)=O)C(O)=O","InChI=1S/C8H11NO6/c9-4(6(12)13)2-8(7(14)15)1-3(8)5(10)11/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4-,8+/m0/s1","BHSHZTNHTMTQFY-MSIVUJLLSA-N",{"$nulls":3},119700]
["D15843",3462,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50069111","N[C@@H](C[C@H](CC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O","InChI=1S/C19H21NO4/c20-17(19(23)24)12-15(18(21)22)11-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-17H,11-12,20H2,(H,21,22)(H,23,24)/t15-,17-/m0/s1","LSXSDBGWRLZZIR-RDJZCZTQSA-N",">300000"]
["D15844",3461,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50049748","N[C@@H](C[C@H](CCCC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O","InChI=1S/C21H25NO4/c22-19(21(25)26)14-17(20(23)24)12-7-13-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17-19H,7,12-14,22H2,(H,23,24)(H,25,26)/t17-,19-/m0/s1","DWLOVDOPFJPWNE-HKUYNNGSSA-N",">300000"]
["D15845",4993,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50159147","N[C@@H](C[C@]1(C[C@@H]1C(O)=O)C(O)=O)C(O)=O","InChI=1S/C8H11NO6/c9-4(6(12)13)2-8(7(14)15)1-3(8)5(10)11/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4+,8+/m1/s1","BHSHZTNHTMTQFY-ZPLJKJSBSA-N",{"$nulls":3},">1000000"]
["D15846",4992,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50159146","N[C@@H](C[C@]1(C[C@H]1C(O)=O)C(O)=O)C(O)=O","InChI=1S/C8H11NO6/c9-4(6(12)13)2-8(7(14)15)1-3(8)5(10)11/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4-,8-/m0/s1","BHSHZTNHTMTQFY-ZYYOCXGQSA-N",{"$nulls":3},">1000000"]
["D15847",3693,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM17660","N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O","InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1","ASNFTDCKZKHJSW-REOHCLBHSA-N",{"$nulls":3},">1000000"]
["D15848",3696,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50175073","N[C@@H]([C@@H]1C[C@H]1P(O)(O)=O)C(O)=O","InChI=1S/C5H10NO5P/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H2,9,10,11)/t2-,3-,4+/m1/s1","KZOMBNQLBSHMFV-JJYYJPOSSA-N",{"$nulls":3},">1000000"]
["D15849",3459,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50034504","N[C@@H]([C@H]1C[C@@H]1C(O)=O)C(O)=O","InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11)/t2-,3-,4-/m0/s1","GZOVEPYOCJWRFC-HZLVTQRSSA-N",230000]
["D15850",3698,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50175072","N[C@@H]([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O","InChI=1S/C5H10NO5P/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H2,9,10,11)/t2-,3-,4-/m0/s1","KZOMBNQLBSHMFV-HZLVTQRSSA-N",{"$nulls":3},700000]
["D15851",4978,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50138784","N[C@@H]([C@H]1[C@@H](O)[C@@H]1C(O)=O)C(O)=O","InChI=1S/C6H9NO5/c7-3(6(11)12)1-2(4(1)8)5(9)10/h1-4,8H,7H2,(H,9,10)(H,11,12)/t1-,2+,3-,4+/m0/s1","LGSORWLWDBCUMM-NTAGLIMJSA-N",{"$nulls":3},">100000"]
["D15852",16457,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278069","N[C@@H]1CCCC[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C29H34N8O2/c30-16-21-15-20(5-10-26(21)39-27-4-2-1-3-25(27)31)28-32-19-33-29(35-28)34-22-6-8-23(9-7-22)36-11-13-37(14-12-36)24-17-38-18-24/h5-10,15,19,24-25,27H,1-4,11-14,17-18,31H2,(H,32,33,34,35)/t25-,27+/m1/s1","DYAQDGUAXKTEEE-VPUSJEBWSA-N",null,266]
["D15853",3446,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50062522","N[C@@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@@H]1C(O)=O)C(O)=O","InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20-/m0/s1","VLZBRVJVCCNPRJ-KPHUOKFYSA-N",990]
["D15854",3676,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50089516","N[C@@]1(C[C@@H]1CP(O)(O)=O)C(O)=O","InChI=1S/C5H10NO5P/c6-5(4(7)8)1-3(5)2-12(9,10)11/h3H,1-2,6H2,(H,7,8)(H2,9,10,11)/t3-,5-/m1/s1","RACNCOSUCJNQDH-NQXXGFSBSA-N",{"$nulls":3},">3000000"]
["D15855",3675,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50089518","N[C@@]1(C[C@H]1CP(O)(O)=O)C(O)=O","InChI=1S/C5H10NO5P/c6-5(4(7)8)1-3(5)2-12(9,10)11/h3H,1-2,6H2,(H,7,8)(H2,9,10,11)/t3-,5+/m0/s1","RACNCOSUCJNQDH-WVZVXSGGSA-N",{"$nulls":3},">1000000"]
["D15856",4797,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50151435","N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)c(Cl)c1)[C@]2(F)C(O)=O)C(O)=O","InChI=1S/C15H14Cl2FNO5/c16-8-2-1-6(3-9(8)17)5-24-10-4-7-11(14(7,18)12(20)21)15(10,19)13(22)23/h1-3,7,10-11H,4-5,19H2,(H,20,21)(H,22,23)/t7-,10-,11+,14-,15+/m1/s1","LFAGGDAZZKUVKO-JAGWWQSPSA-N",664]
["D15857",3603,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50204257","N[C@@]1([C@H]2[C@H]([C@@H]2C(O)=O)[C@H](O)[C@H]1OCc1ccc(Cl)c(Cl)c1)C(O)=O","InChI=1S/C15H15Cl2NO6/c16-6-2-1-5(3-7(6)17)4-24-12-11(19)8-9(13(20)21)10(8)15(12,18)14(22)23/h1-3,8-12,19H,4,18H2,(H,20,21)(H,22,23)/t8-,9-,10-,11-,12+,15+/m0/s1","WNOZOUHFGZKGNT-ANYOLZDRSA-N",null,10500]
["D15858",3464,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50079183","N[C@H](C(O)=O)c1cc(O)cc(O)c1","InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)/t7-/m0/s1","HOOWCUZPEFNHDT-ZETCQYMHSA-N",">1000000"]
["D15859",4977,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50138783","N[C@H](C(O)=O)c1ccc(C(O)=O)c(c1)C(O)=O","InChI=1S/C10H9NO6/c11-7(10(16)17)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3,7H,11H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m0/s1","IJVMOGKBEVRBPP-ZETCQYMHSA-N",{"$nulls":3},">100000"]
["D15860",38,"7dx1_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403035","N[C@H](C(O)=O)c1ccc(O)cc1","InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1","LJCWONGJFPCTTL-ZETCQYMHSA-N",null,">100000"]
["D15861",4984,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM26431","N[C@H](CCC(O)=O)C(O)=O","InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1","WHUUTDBJXJRKMK-GSVOUGTGSA-N",{"$nulls":3},">100000"]
["D15862",4953,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM196913","N[C@H](CCP(O)(=O)C(O)c1cc(Cl)c(OCC(O)=O)c(Cl)c1)C(O)=O","InChI=1S/C13H16Cl2NO8P/c14-7-3-6(4-8(15)11(7)24-5-10(17)18)13(21)25(22,23)2-1-9(16)12(19)20/h3-4,9,13,21H,1-2,5,16H2,(H,17,18)(H,19,20)(H,22,23)/t9-,13?/m1/s1","ACWNTECWAQAJID-CGCSKFHYSA-N",{"$nulls":3},22900]
["D15863",4965,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM196932","N[C@H](CCP(O)(=O)C(O)c1cc(F)c(OCC(O)=O)c(F)c1)C(O)=O","InChI=1S/C13H16F2NO8P/c14-7-3-6(4-8(15)11(7)24-5-10(17)18)13(21)25(22,23)2-1-9(16)12(19)20/h3-4,9,13,21H,1-2,5,16H2,(H,17,18)(H,19,20)(H,22,23)/t9-,13?/m1/s1","ILIGGRZKVRBOPK-CGCSKFHYSA-N",{"$nulls":3},3870]
["D15864",4955,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM196916","N[C@H](CCP(O)(=O)C(O)c1ccc(CCC(O)=O)cc1)C(O)=O","InChI=1S/C14H20NO7P/c15-11(13(18)19)7-8-23(21,22)14(20)10-4-1-9(2-5-10)3-6-12(16)17/h1-2,4-5,11,14,20H,3,6-8,15H2,(H,16,17)(H,18,19)(H,21,22)/t11-,14?/m1/s1","WQHZBTAYFHHLRA-YNODCEANSA-N",{"$nulls":3},37000]
["D15865",4960,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM196926","N[C@H](CCP(O)(=O)C(O)c1ccc(OCC(O)=O)c(O)c1)C(O)=O","InChI=1S/C13H18NO9P/c14-8(12(18)19)3-4-24(21,22)13(20)7-1-2-10(9(15)5-7)23-6-11(16)17/h1-2,5,8,13,15,20H,3-4,6,14H2,(H,16,17)(H,18,19)(H,21,22)/t8-,13?/m1/s1","USSOEGIWLJVUKK-UOGPZTOASA-N",{"$nulls":3},15000]
["D15866",4958,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM196924","N[C@H](CCP(O)(=O)C(O)c1ccc(OCC(O)=O)c(OC(F)(F)F)c1)C(O)=O","InChI=1S/C14H17F3NO9P/c15-14(16,17)27-10-5-7(1-2-9(10)26-6-11(19)20)13(23)28(24,25)4-3-8(18)12(21)22/h1-2,5,8,13,23H,3-4,6,18H2,(H,19,20)(H,21,22)(H,24,25)/t8-,13?/m1/s1","NTRJZUQSNSIKLO-UOGPZTOASA-N",{"$nulls":3},1970]
["D15867",4959,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM196925","N[C@H](CCP(O)(=O)C(O)c1ccc(OCC(O)=O)c(c1)C(F)(F)F)C(O)=O","InChI=1S/C14H17F3NO8P/c15-14(16,17)8-5-7(1-2-10(8)26-6-11(19)20)13(23)27(24,25)4-3-9(18)12(21)22/h1-2,5,9,13,23H,3-4,6,18H2,(H,19,20)(H,21,22)(H,24,25)/t9-,13?/m1/s1","UBMMJJHZNWYYJF-CGCSKFHYSA-N",{"$nulls":3},35500]
["D15868",4961,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM196927","N[C@H](CCP(O)(=O)C(O)c1ccc(OCC(O)=O)c(c1)C(O)=O)C(O)=O","InChI=1S/C14H18NO10P/c15-9(13(20)21)3-4-26(23,24)14(22)7-1-2-10(25-6-11(16)17)8(5-7)12(18)19/h1-2,5,9,14,22H,3-4,6,15H2,(H,16,17)(H,18,19)(H,20,21)(H,23,24)/t9-,14?/m1/s1","HLBMHNZCZUXUSO-UCWRFOARSA-N",{"$nulls":3},65000]
["D15869",4962,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM196928","N[C@H](CCP(O)(=O)C(O)c1ccc(OCC(O)=O)c(c1)[N+]([O-])=O)C(O)=O","InChI=1S/C13H17N2O10P/c14-8(12(18)19)3-4-26(23,24)13(20)7-1-2-10(25-6-11(16)17)9(5-7)15(21)22/h1-2,5,8,13,20H,3-4,6,14H2,(H,16,17)(H,18,19)(H,23,24)/t8-,13?/m1/s1","UFAMDVHATQKVBA-UOGPZTOASA-N",{"$nulls":3},11200]
["D15870",4956,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM196918","N[C@H](CCP(O)(=O)C(O)c1ccc(OCP(O)(O)=O)cc1)C(O)=O","InChI=1S/C12H19NO9P2/c13-10(11(14)15)5-6-23(17,18)12(16)8-1-3-9(4-2-8)22-7-24(19,20)21/h1-4,10,12,16H,5-7,13H2,(H,14,15)(H,17,18)(H2,19,20,21)/t10-,12?/m1/s1","NOROSKGWRWLDSW-RWANSRKNSA-N",{"$nulls":3},34000]
["D15871",4963,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM196929","N[C@H](CCP(O)(=O)C(O)c1ccc(SCC(O)=O)c(c1)[N+]([O-])=O)C(O)=O","InChI=1S/C13H17N2O9PS/c14-8(12(18)19)3-4-25(23,24)13(20)7-1-2-10(26-6-11(16)17)9(5-7)15(21)22/h1-2,5,8,13,20H,3-4,6,14H2,(H,16,17)(H,18,19)(H,23,24)/t8-,13?/m1/s1","ZDPGMBDQVVWLAD-UOGPZTOASA-N",{"$nulls":3},15200]
["D15872",4964,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM196930","N[C@H](CCP(O)(=O)C(O)c1ccc(SCC(O)=O)cc1)C(O)=O","InChI=1S/C13H18NO7PS/c14-10(12(17)18)5-6-22(20,21)13(19)8-1-3-9(4-2-8)23-7-11(15)16/h1-4,10,13,19H,5-7,14H2,(H,15,16)(H,17,18)(H,20,21)/t10-,13?/m1/s1","IMWRUEZSFIGPIN-VUUHIHSGSA-N",{"$nulls":3},13000]
["D15873",4968,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM196936","N[C@H](CCP(O)(=O)Cc1ccc(OCC(O)=O)c(OC(F)(F)F)c1)C(O)=O","InChI=1S/C14H17F3NO8P/c15-14(16,17)26-11-5-8(1-2-10(11)25-6-12(19)20)7-27(23,24)4-3-9(18)13(21)22/h1-2,5,9H,3-4,6-7,18H2,(H,19,20)(H,21,22)(H,23,24)/t9-/m1/s1","CARSOSGGIHYXAY-SECBINFHSA-N",{"$nulls":3},16200]
["D15874",4969,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM196937","N[C@H](CCP(O)(=O)Cc1ccc(OCC(O)=O)c(c1)C(F)(F)F)C(O)=O","InChI=1S/C14H17F3NO7P/c15-14(16,17)9-5-8(1-2-11(9)25-6-12(19)20)7-26(23,24)4-3-10(18)13(21)22/h1-2,5,10H,3-4,6-7,18H2,(H,19,20)(H,21,22)(H,23,24)/t10-/m1/s1","DLGOTKZKHHEVES-SNVBAGLBSA-N",{"$nulls":3},301000]
["D15875",4967,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM196934","N[C@H](CCP(O)(=O)Cc1ccc(OCC(O)=O)cc1)C(O)=O","InChI=1S/C13H18NO7P/c14-11(13(17)18)5-6-22(19,20)8-9-1-3-10(4-2-9)21-7-12(15)16/h1-4,11H,5-8,14H2,(H,15,16)(H,17,18)(H,19,20)/t11-/m1/s1","XHNVTQBHEJKWLF-LLVKDONJSA-N",{"$nulls":3},">100000"]
["D15876",4945,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Rattus norvegicus","BDBM82006","N[C@H](CCP(O)(O)=O)C(O)=O","InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m1/s1","DDOQBQRIEWHWBT-GSVOUGTGSA-N",{"$nulls":3},">100000"]
["D15877",569,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50089753","N[C@H]1C[C@H](CC(NC(=O)N[C@H](CC2CCCCC2)C(=O)NC2CC3CCC2C3)C(O)=O)C1","InChI=1S/C24H40N4O4/c25-18-9-16(10-18)13-21(23(30)31)28-24(32)27-20(11-14-4-2-1-3-5-14)22(29)26-19-12-15-6-7-17(19)8-15/h14-21H,1-13,25H2,(H,26,29)(H,30,31)(H2,27,28,32)/t15?,16-,17?,18-,19?,20-,21?/m1/s1","NLBFGJCTTDZYBN-NCZDBTGRSA-N",null,110]
["D15878",13775,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19287842","N[C@H]1C[C@H](CC(NC(=O)N[C@H](CC2CCCCC2)C(=O)NC2CC3CCC2C3)C(O)=O)C2","InChI=1S/C24H40N4O4/c25-18-9-16(10-18)13-21(23(30)31)28-24(32)27-20(11-14-4-2-1-3-5-14)22(29)26-19-12-15-6-7-17(19)8-15/h14-21H,1-13,25H2,(H,26,29)(H,30,31)(H2,27,28,32)/t15?,16-,17?,18-,19?,20-,21?/m1/s2","NLBFGJCTTDZYBN-NCZDBTGRSA-N",-23293.0093945608,274.435988620199,33717.5051762654,{"$nulls":3},6.7373393525631]
["D15879",3463,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM66976","N[C@]1(CC[C@H](C1)C(O)=O)C(O)=O","InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7+/m1/s1","YFYNOWXBIBKGHB-FBCQKBJTSA-N",">1000000"]
["D15880",3452,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50056272","N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O","InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1","VTAARTQTOOYTES-RGDLXGNYSA-N",">100000"]
["D15881",3460,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50052398","N[C@]1(CN[C@H](C1)C(O)=O)C(O)=O","InChI=1S/C6H10N2O4/c7-6(5(11)12)1-3(4(9)10)8-2-6/h3,8H,1-2,7H2,(H,9,10)(H,11,12)/t3-,6-/m1/s1","XZFMJVJDSYRWDQ-AWFVSMACSA-N",">300000"]
["D15882",3450,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50089890","N[C@]1(COC2[C@@H](C12)C(O)=O)C(O)=O","InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3?,4?,7+/m1/s1","YASVRZWVUGJELU-RSWQVWFLSA-N",">100000"]
["D15883",3667,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50074749","N[C@]1(CO[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O","InChI=1S/C7H9NO5/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1","YASVRZWVUGJELU-MDASVERJSA-N",{"$nulls":3},">100000"]
["D15884",3456,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50089897","N[C@]1(CSC2[C@@H](C12)C(O)=O)C(O)=O","InChI=1S/C7H9NO4S/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3?,4?,7+/m1/s1","QBHIOYZCUZBIEN-RSWQVWFLSA-N",">100000"]
["D15885",3668,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50074750","N[C@]1(CS[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O","InChI=1S/C7H9NO4S/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1","QBHIOYZCUZBIEN-MDASVERJSA-N",{"$nulls":3},">100000"]
["D15886",3605,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50121643","N[C@]1(C[C@@H](Sc2nnc[nH]2)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O","InChI=1S/C10H12N4O4S/c11-10(8(17)18)1-3(19-9-12-2-13-14-9)4-5(6(4)10)7(15)16/h2-6H,1,11H2,(H,15,16)(H,17,18)(H,12,13,14)/t3-,4+,5+,6+,10+/m1/s1","YSOWRGMLMZQSBX-AVUIYAGVSA-N",null,">12500"]
["D15887",3712,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM50060137","N[C@]1(C[C@@H]([C@@H](C1)C(O)=O)C(O)=O)C(O)=O","InChI=1S/C8H11NO6/c9-8(7(14)15)1-3(5(10)11)4(2-8)6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4+,8-","FERIKTBTNCSGJS-KIGHRTHISA-N",{"$nulls":3},280000]
["D15888",3677,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50217030","N[C@]1(C[C@@H]1CP(O)(O)=O)C(O)=O","InChI=1S/C5H10NO5P/c6-5(4(7)8)1-3(5)2-12(9,10)11/h3H,1-2,6H2,(H,7,8)(H2,9,10,11)/t3-,5+/m1/s1","RACNCOSUCJNQDH-WUJLRWPWSA-N",{"$nulls":3},625000]
["D15889",3678,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50217031","N[C@]1(C[C@H]1CP(O)(O)=O)C(O)=O","InChI=1S/C5H10NO5P/c6-5(4(7)8)1-3(5)2-12(9,10)11/h3H,1-2,6H2,(H,7,8)(H2,9,10,11)/t3-,5-/m0/s1","RACNCOSUCJNQDH-UCORVYFPSA-N",{"$nulls":3},602000]
["D15890",12276,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM4660","Nc1c(C#N)c(-c2ccccc2)c(C#N)c2nc3ccccc3n12","InChI=1S/C19H11N5/c20-10-13-17(12-6-2-1-3-7-12)14(11-21)19-23-15-8-4-5-9-16(15)24(19)18(13)22/h1-9H,22H2","OSZIPIZACJAHAR-UHFFFAOYSA-N",null,21890]
["D15891",16695,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM373534","Nc1c([nH]c2nc3\\C(CCc3c(-c3ccco3)c12)=C\\c1ccco1)C(=O)c1ccccc1","InChI=1S/C26H19N3O3/c27-22-21-20(19-9-5-13-32-19)18-11-10-16(14-17-8-4-12-31-17)23(18)28-26(21)29-24(22)25(30)15-6-2-1-3-7-15/h1-9,12-14H,10-11,27H2,(H,28,29)/b16-14+","HRXWJPNHHSKSDK-JQIJEIRASA-N",null,500]
["D15892",32040,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46339","Nc1c(nsc1C(=O)OCC(=O)NC1CCCCC1)C(=O)NC1CCCCC1","InChI=1S/C19H28N4O4S/c20-15-16(18(25)22-13-9-5-2-6-10-13)23-28-17(15)19(26)27-11-14(24)21-12-7-3-1-4-8-12/h12-13H,1-11,20H2,(H,21,24)(H,22,25)","PWTYGDOFAUBOTG-UHFFFAOYSA-N",null,">55700"]
["D15893",4457,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM61056","Nc1c(sc2nc3ccc(OC(F)(F)F)cc3cc12)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC1","InChI=1S/C23H19F3N4O4S2/c24-23(25,26)34-15-5-8-18-13(11-15)12-17-19(27)20(35-22(17)29-18)21(31)28-14-3-6-16(7-4-14)36(32,33)30-9-1-2-10-30/h3-8,11-12H,1-2,9-10,27H2,(H,28,31)","YIPLTGVEHGYRQM-UHFFFAOYSA-N",{"$nulls":3},8615]
["D15894",25730,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50470390","Nc1c2CCCCc2[n+](CCCCCCCCCC[n+]2c3CCCCc3c(N)c3ccccc23)c2ccccc12","InChI=1S/C36H46N4/c37-35-27-17-7-11-21-31(27)39(32-22-12-8-18-28(32)35)25-15-5-3-1-2-4-6-16-26-40-33-23-13-9-19-29(33)36(38)30-20-10-14-24-34(30)40/h7,9,11,13,17,19,21,23,37-38H,1-6,8,10,12,14-16,18,20,22,24-26H2/p+2","YDNYMEICUUUUQH-UHFFFAOYSA-P",null,1000]
["D15895",703,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144330","Nc1cc(CC(C(O)=O)c2cnc[nH]2)ccn1","InChI=1S/C11H12N4O2/c12-10-4-7(1-2-14-10)3-8(11(16)17)9-5-13-6-15-9/h1-2,4-6,8H,3H2,(H2,12,14)(H,13,15)(H,16,17)","HYHAXVLPBRMADO-UHFFFAOYSA-N",null,12000]
["D15896",14673,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478768","Nc1cc(ccn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)C4CC4)ccn3)[nH]c2c1","InChI=1S/C26H28N8O/c27-23-15-20(6-8-28-23)19-3-4-21-22(14-19)31-26(30-21)32-24-13-17(5-7-29-24)16-33-9-11-34(12-10-33)25(35)18-1-2-18/h3-8,13-15,18H,1-2,9-12,16H2,(H2,27,28)(H2,29,30,31,32)","JPWUKWGAUTVSNF-UHFFFAOYSA-N",null,4.3]
["D15897",14663,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478767","Nc1cc(ccn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1","InChI=1S/C25H25F3N8O/c26-25(27,28)14-23(37)36-9-7-35(8-10-36)15-16-3-5-31-22(11-16)34-24-32-19-2-1-17(12-20(19)33-24)18-4-6-30-21(29)13-18/h1-6,11-13H,7-10,14-15H2,(H2,29,30)(H2,31,32,33,34)","SMWLJVDNSZTWAI-UHFFFAOYSA-N",null,4.1]
["D15898",32093,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46382","Nc1cc(nn1Cc1ccc(Cl)cc1)-c1ccccc1","InChI=1S/C16H14ClN3/c17-14-8-6-12(7-9-14)11-20-16(18)10-15(19-20)13-4-2-1-3-5-13/h1-10H,11,18H2","FRRXTDGETSNRAZ-UHFFFAOYSA-N",null,">55700"]
["D15899",32122,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46413","Nc1cc(nn1Cc1ccccc1)-c1ccc(Br)cc1","InChI=1S/C16H14BrN3/c17-14-8-6-13(7-9-14)15-10-16(18)20(19-15)11-12-4-2-1-3-5-12/h1-10H,11,18H2","CKBWLLOYCRFXFT-UHFFFAOYSA-N",null,">55700"]
["D15900",14400,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","RyR1/FKBP12","Homo sapiens","BDM50475837","Nc1cc2CCC(=O)NCCC(=O)NCCc3cc(Br)c(O)c(Oc1cc2)c3","InChI=1S/C20H22BrN3O4/c21-14-9-13-5-7-23-19(26)6-8-24-18(25)4-2-12-1-3-16(15(22)10-12)28-17(11-13)20(14)27/h1,3,9-11,27H,2,4-8,22H2,(H,23,26)(H,24,25)","GGXMZDGJOAHEGN-UHFFFAOYSA-N",{"$nulls":3},21000]
["D15901",14415,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","RyR1/FKBP12","Homo sapiens","BDM50475836","Nc1cc2CCC(=O)NCCc3cc(Br)c(O)c(Oc1cc2)c3","InChI=1S/C17H17BrN2O3/c18-12-7-11-5-6-20-16(21)4-2-10-1-3-14(13(19)8-10)23-15(9-11)17(12)22/h1,3,7-9,22H,2,4-6,19H2,(H,20,21)","FRZBSKDYTIMNOE-UHFFFAOYSA-N",{"$nulls":3},33000]
["D15902",17009,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357927","Nc1cc2oc3ccccc3c(=O)c2cc1C(O)=O","InChI=1S/C14H9NO4/c15-10-6-12-9(5-8(10)14(17)18)13(16)7-3-1-2-4-11(7)19-12/h1-6H,15H2,(H,17,18)","ZRNJYSVEXPNIFG-UHFFFAOYSA-N",null,1390]
["D15903",25736,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50470379","Nc1cc[n+](CCCCCCCCCC[n+]2ccc(N)c3ccccc23)c2ccccc12","InChI=1S/C28H34N4/c29-25-17-21-31(27-15-9-7-13-23(25)27)19-11-5-3-1-2-4-6-12-20-32-22-18-26(30)24-14-8-10-16-28(24)32/h7-10,13-18,21-22,29-30H,1-6,11-12,19-20H2/p+2","UTXQHGLAIOZQGO-UHFFFAOYSA-P",null,1400]
["D15904",25745,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50473095","Nc1cc[n+](Cc2ccc(C[n+]3ccc(N)c4ccccc34)cc2)c2ccccc12","InChI=1S/C26H22N4/c27-23-13-15-29(25-7-3-1-5-21(23)25)17-19-9-11-20(12-10-19)18-30-16-14-24(28)22-6-2-4-8-26(22)30/h1-16,27-28H,17-18H2/p+2","ALKXJKSHEHHHEC-UHFFFAOYSA-P",null,2800]
["D15905",25712,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50473105","Nc1cc[n+](Cc2ccc(cc2)-c2cccc(n2)-c2ccc(C[n+]3ccc(N)c4ccccc34)cc2)c2ccccc12","InChI=1S/C37H29N5/c38-32-20-22-41(36-10-3-1-6-30(32)36)24-26-12-16-28(17-13-26)34-8-5-9-35(40-34)29-18-14-27(15-19-29)25-42-23-21-33(39)31-7-2-4-11-37(31)42/h1-23,38-39H,24-25H2/p+2","WFVSMSPEUHDGKK-UHFFFAOYSA-P",null,360]
["D15906",25728,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50473104","Nc1cc[n+](Cc2cccc(C[n+]3ccc(N)c4ccccc34)c2)c2ccccc12","InChI=1S/C26H22N4/c27-23-12-14-29(25-10-3-1-8-21(23)25)17-19-6-5-7-20(16-19)18-30-15-13-24(28)22-9-2-4-11-26(22)30/h1-16,27-28H,17-18H2/p+2","JYYNWLHQMJGCSY-UHFFFAOYSA-P",null,800]
["D15907",478,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135935","Nc1ccc(CC(C(O)=O)c2cn(Cc3ccccc3)cn2)cn1","InChI=1S/C18H18N4O2/c19-17-7-6-14(9-20-17)8-15(18(23)24)16-11-22(12-21-16)10-13-4-2-1-3-5-13/h1-7,9,11-12,15H,8,10H2,(H2,19,20)(H,23,24)","JEQHGJNDKUBBFJ-UHFFFAOYSA-N",null,21]
["D15908",13684,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19270094","Nc1ccc(CC(C(O)=O)c2cn(Cc3ccccc3)cn2)cn2","InChI=1S/C18H18N4O2/c19-17-7-6-14(9-20-17)8-15(18(23)24)16-11-22(12-21-16)10-13-4-2-1-3-5-13/h1-7,9,11-12,15H,8,10H2,(H2,19,20)(H,23,24)","JEQHGJNDKUBBFJ-UHFFFAOYSA-N",-13996.414484326,60.2592402375939,33659.7666594761,{"$nulls":3},6.73729918772544]
["D15909",540,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50135933","Nc1ccc(CC(C(O)=O)c2cnc[nH]2)cn1","InChI=1S/C11H12N4O2/c12-10-2-1-7(4-14-10)3-8(11(16)17)9-5-13-6-15-9/h1-2,4-6,8H,3H2,(H2,12,14)(H,13,15)(H,16,17)","IFHWJTOFROTZBD-UHFFFAOYSA-N",null,67]
["D15910",13746,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19282186","Nc1ccc(CC(C(O)=O)c2cnc[nH]2)cn2","InChI=1S/C11H12N4O2/c12-10-2-1-7(4-14-10)3-8(11(16)17)9-5-13-6-15-9/h1-2,4-6,8H,3H2,(H2,12,14)(H,13,15)(H,16,17)","IFHWJTOFROTZBD-UHFFFAOYSA-N",-20330.3582693211,124.978978978979,33699.1049895963,{"$nulls":3},6.73732655277967]
["D15911",376,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395732","Nc1ccc(CC(C[Se][Se]CC(Cc2ccc(N)nc2)C(O)=O)C(O)=O)cn1","InChI=1S/C18H22N4O4Se2/c19-15-3-1-11(7-21-15)5-13(17(23)24)9-27-28-10-14(18(25)26)6-12-2-4-16(20)22-8-12/h1-4,7-8,13-14H,5-6,9-10H2,(H2,19,21)(H2,20,22)(H,23,24)(H,25,26)","MYECLQPAUDYVIW-UHFFFAOYSA-N",null,2]
["D15912",13582,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19250200","Nc1ccc(CC(C[Se][Se]CC(Cc2ccc(N)nc2)C(O)=O)C(O)=O)cn2","InChI=1S/C18H22N4O4Se2/c19-15-3-1-11(7-21-15)5-13(17(23)24)9-27-28-10-14(18(25)26)6-12-2-4-16(20)22-8-12/h1-4,7-8,13-14H,5-6,9-10H2,(H2,19,21)(H2,20,22)(H,23,24)(H,25,26)","MYECLQPAUDYVIW-UHFFFAOYSA-N",-3576.05535417271,-184760.954952926,33595.0487615366,{"$nulls":3},6.73725416779751]
["D15913",499,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM173920","Nc1ccc(C[C@H](NC(=O)N[C@@H]2Cc3ccc(OCCCCOC[C@@H](NC2=O)C2CC2)cc3)C(O)=O)cn1","InChI=1S/C27H35N5O6/c28-24-10-5-18(15-29-24)14-22(26(34)35)32-27(36)31-21-13-17-3-8-20(9-4-17)38-12-2-1-11-37-16-23(19-6-7-19)30-25(21)33/h3-5,8-10,15,19,21-23H,1-2,6-7,11-14,16H2,(H2,28,29)(H,30,33)(H,34,35)(H2,31,32,36)/t21-,22+,23-/m1/s1","PZGKNOUEAVBGDC-XPWALMASSA-N",null,32,{"$nulls":4},7.4,"25.00 C"]
["D15914",13705,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19274190","Nc1ccc(C[C@H](NC(=O)N[C@@H]2Cc3ccc(OCCCCOC[C@@H](NC2=O)C2CC2)cc3)C(O)=O)cn2","InChI=1S/C27H35N5O6/c28-24-10-5-18(15-29-24)14-22(26(34)35)32-27(36)31-21-13-17-3-8-20(9-4-17)38-12-2-1-11-37-16-23(19-6-7-19)30-25(21)33/h3-5,8-10,15,19,21-23H,1-2,6-7,11-14,16H2,(H2,28,29)(H,30,33)(H,34,35)(H2,31,32,36)/t21-,22+,23-/m1/s2","PZGKNOUEAVBGDC-XPWALMASSA-N",-16141.782540534,66.1608456555576,33673.0909325813,{"$nulls":3},6.73730845653413,"25.00 C"]
["D15915",4331,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66273","Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)c(Cl)c1","InChI=1S/C17H19Cl2N3/c18-15-4-2-1-3-13(15)12-21-7-9-22(10-8-21)17-6-5-14(20)11-16(17)19/h1-6,11H,7-10,12,20H2","GMLVXCKBVXZNQV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15916",15614,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246053","Nc1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1","InChI=1S/C19H17FN8/c20-14-4-6-28(11-14)18-12(8-21)7-13(9-25-18)16-3-5-23-19(27-16)26-15-1-2-17(22)24-10-15/h1-3,5,7,9-10,14H,4,6,11H2,(H2,22,24)(H,23,26,27)/t14-/m0/s1","YDMKWHGXAARJJK-AWEZNQCLSA-N",null,"<30",{"$nulls":4},7.5]
["D15917",12171,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87331","Nc1ccc(Oc2ccccc2-c2ccccc2)cc1","InChI=1S/C18H15NO/c19-15-10-12-16(13-11-15)20-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13H,19H2","ZWQOXRDNGHWDBS-UHFFFAOYSA-N",null,7339]
["D15918",26041,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1/alpha-1B/alpha-2/delta-1","Rattus norvegicus","BDBM50481864","Nc1ccc(\\C=C\\C(=O)N2CCN(CC2)C(=O)CCCCC(c2ccccc2)c2ccccc2)cc1","InChI=1S/C31H35N3O2/c32-28-18-15-25(16-19-28)17-20-31(36)34-23-21-33(22-24-34)30(35)14-8-7-13-29(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-6,9-12,15-20,29H,7-8,13-14,21-24,32H2/b20-17+","SGBSGHFCOPKJPE-LVZFUZTISA-N",null,150]
["D15919",12074,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87334","Nc1ccc(cc1)-c1cc2ccccc2oc1=O","InChI=1S/C15H11NO2/c16-12-7-5-10(6-8-12)13-9-11-3-1-2-4-14(11)18-15(13)17/h1-9H,16H2","LYIBWAQRUZXFGC-UHFFFAOYSA-N",null,3620]
["D15920",15119,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276842","Nc1ccc(cc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C24H21N5O/c25-15-18-13-17(3-6-22(18)26)20-7-8-27-24-21(20)14-23(28-24)16-1-4-19(5-2-16)29-9-11-30-12-10-29/h1-8,13-14H,9-12,26H2,(H,27,28)","AEMXNDABTCKPRW-UHFFFAOYSA-N",null,11.7]
["D15921",14764,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276825","Nc1ccc(cn1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C24H21N5O2/c25-13-17-11-15(1-3-22(17)31-18-6-9-30-10-7-18)19-5-8-27-24-20(19)12-21(29-24)16-2-4-23(26)28-14-16/h1-5,8,11-12,14,18H,6-7,9-10H2,(H2,26,28)(H,27,29)","IITKALICJDNWMU-UHFFFAOYSA-N",null,5.53,{"$nulls":4},7]
["D15922",25720,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50470387","Nc1ccc2c(NCc3ccccc3)cc[n+](CCCCCCCCCC[n+]3ccc(NCc4ccccc4)c4ccc(N)cc34)c2c1","InChI=1S/C42H48N6/c43-35-19-21-37-39(45-31-33-15-9-7-10-16-33)23-27-47(41(37)29-35)25-13-5-3-1-2-4-6-14-26-48-28-24-40(38-22-20-36(44)30-42(38)48)46-32-34-17-11-8-12-18-34/h7-12,15-24,27-30H,1-6,13-14,25-26,31-32H2,(H4,43,44,45,46)/p+2","XGTJACIIAXGPCO-UHFFFAOYSA-P",null,500]
["D15923",706,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144343","Nc1cccc(CC(C(O)=O)c2cnc[nH]2)n1","InChI=1S/C11H12N4O2/c12-10-3-1-2-7(15-10)4-8(11(16)17)9-5-13-6-14-9/h1-3,5-6,8H,4H2,(H2,12,15)(H,13,14)(H,16,17)","PAWOJNNZSAZPFM-UHFFFAOYSA-N",null,15000]
["D15924",3837,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66763","Nc1cccc(Oc2cnccn2)c1","InChI=1S/C10H9N3O/c11-8-2-1-3-9(6-8)14-10-7-12-4-5-13-10/h1-7H,11H2","TUXHRIQZSKVYRS-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15925",14487,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50379339","Nc1cccc(c1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CCC3)c2[nH]1","InChI=1S/C20H23BrN6O/c21-15-11-25-19-17(26-18(27-19)13-6-2-7-14(22)10-13)16(15)23-8-3-9-24-20(28)12-4-1-5-12/h2,6-7,10-12H,1,3-5,8-9,22H2,(H,24,28)(H2,23,25,26,27)","ZFQFDCSTGATGQP-UHFFFAOYSA-N",null,3]
["D15926",629,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201431","Nc1cccc(c1)C(CS)C(O)=O","InChI=1S/C9H11NO2S/c10-7-3-1-2-6(4-7)8(5-13)9(11)12/h1-4,8,13H,5,10H2,(H,11,12)","WOYCAJIRNXWVLG-UHFFFAOYSA-N",null,785]
["D15927",32272,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396660","Nc1cccc2CN(CCc12)S(=O)(=O)c1cccc(c1)C(O)=O","InChI=1S/C16H16N2O4S/c17-15-6-2-4-12-10-18(8-7-14(12)15)23(21,22)13-5-1-3-11(9-13)16(19)20/h1-6,9H,7-8,10,17H2,(H,19,20)","HYDXTZXGTGSLPV-UHFFFAOYSA-N",null,">30000"]
["D15928",4738,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66662","Nc1ccccc1SC(C[N+]([O-])=O)c1ccccc1","InChI=1S/C14H14N2O2S/c15-12-8-4-5-9-13(12)19-14(10-16(17)18)11-6-2-1-3-7-11/h1-9,14H,10,15H2","DWNNEKXCXZHDQF-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15929",31734,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43657","Nc1ccccc1Sc1nc2ccccc2[nH]1","InChI=1S/C13H11N3S/c14-9-5-1-4-8-12(9)17-13-15-10-6-2-3-7-11(10)16-13/h1-8H,14H2,(H,15,16)","VLHPFZVRLRXVEL-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D15930",12174,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM50087289","Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1","InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1","UHDGCWIWMRVCDJ-CCXZUQQUSA-N",null,7533]
["D15931",15900,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM375665","Nc1ccncc1C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C34H35FN10O3/c35-28-18-45(33(46)27-17-38-9-7-29(27)37)10-8-31(28)48-30-6-1-22(15-23(30)16-36)32-39-21-40-34(42-32)41-24-2-4-25(5-3-24)43-11-13-44(14-12-43)26-19-47-20-26/h1-7,9,15,17,21,26,28,31H,8,10-14,18-20H2,(H2,37,38)(H,39,40,41,42)/t28-,31+/m1/s1","HZJJGPYXISJBQF-MVSFAKPFSA-N",null,65]
["D15932",3802,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66734","Nc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O","InChI=1S/C9H13N3O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2,10H2,(H,11,16,17)","YBTWWWIJBCCYNR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15933",14825,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278169","Nc1cn[nH]c1C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1",{"$nulls":3},6]
["D15934",16639,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278119","Nc1cnc(cn1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C33H34FN11O3/c34-26-17-45(32(46)27-15-38-30(36)16-37-27)8-7-29(26)48-28-6-1-21(13-22(28)14-35)31-39-20-40-33(42-31)41-23-2-4-24(5-3-23)43-9-11-44(12-10-43)25-18-47-19-25/h1-6,13,15-16,20,25-26,29H,7-12,17-19H2,(H2,36,38)(H,39,40,41,42)/t26-,29+/m1/s1","KFKIDVPSDPEGRF-UHSQPCAPSA-N",null,2]
["D15935",14952,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276887","Nc1cncc(n1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C23H20N6O2/c24-11-15-9-14(1-2-21(15)31-16-4-7-30-8-5-16)17-3-6-27-23-18(17)10-19(29-23)20-12-26-13-22(25)28-20/h1-3,6,9-10,12-13,16H,4-5,7-8H2,(H2,25,28)(H,27,29)","AQKBMEOCVCVMRP-UHFFFAOYSA-N",null,8.48,{"$nulls":4},7]
["D15936",15663,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277077","Nc1cncc(n1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C22H19N7O2/c23-9-14-7-13(1-2-19(14)31-15-3-5-30-6-4-15)21-16-8-17(29-22(16)27-12-26-21)18-10-25-11-20(24)28-18/h1-2,7-8,10-12,15H,3-6H2,(H2,24,28)(H,26,27,29)","OVAKBHHHFBDHMH-UHFFFAOYSA-N",null,32.7,{"$nulls":4},7]
["D15937",15662,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM377251","Nc1cncc(n1)-c1nc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C21H18N8O2/c22-8-13-7-12(1-2-16(13)31-14-3-5-30-6-4-14)18-19-21(26-11-25-18)29-20(28-19)15-9-24-10-17(23)27-15/h1-2,7,9-11,14H,3-6H2,(H2,23,27)(H,25,26,28,29)","NTPUVYZJBMHFDY-UHFFFAOYSA-N",null,32.7]
["D15938",14642,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278118","Nc1cncc(n1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C33H34FN11O3/c34-26-17-45(32(46)27-15-37-16-30(36)41-27)8-7-29(26)48-28-6-1-21(13-22(28)14-35)31-38-20-39-33(42-31)40-23-2-4-24(5-3-23)43-9-11-44(12-10-43)25-18-47-19-25/h1-6,13,15-16,20,25-26,29H,7-12,17-19H2,(H2,36,41)(H,38,39,40,42)/t26-,29+/m1/s1","BZYOEYJINKVTFU-UHSQPCAPSA-N",null,4]
["D15939",18113,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278168","Nc1cnccc1C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C34H35FN10O3/c35-28-18-45(33(46)27-7-9-38-17-29(27)37)10-8-31(28)48-30-6-1-22(15-23(30)16-36)32-39-21-40-34(42-32)41-24-2-4-25(5-3-24)43-11-13-44(14-12-43)26-19-47-20-26/h1-7,9,15,17,21,26,28,31H,8,10-14,18-20,37H2,(H,39,40,41,42)/t28-,31+/m1/s1","QROKRSRGOKIIOW-MVSFAKPFSA-N",null,65000,{"$nulls":4},7]
["D15940",17329,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278101","Nc1n[nH]c(C(=O)N2CC[C@H](Oc3ccc(cc3C#N)-c3ncnc(Nc4ccc(cc4)N4CCN(CC4)C4COC4)n3)[C@H](F)C2)c1Cl",{"$nulls":3},3000,{"$nulls":4},7]
["D15941",15284,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM375609","Nc1n[nH]c(n1)C(=O)N1CC[C@H](Oc2c(F)cc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1",{"$nulls":3},16]
["D15942",17709,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278112","Nc1n[nH]c(n1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1",{"$nulls":3},16000,{"$nulls":4},7]
["D15943",12073,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM63835","Nc1nc(CCl)nc(Nc2cccc3ccccc23)n1","InChI=1S/C14H12ClN5/c15-8-12-18-13(16)20-14(19-12)17-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H3,16,17,18,19,20)","STFCNCAFZCLEQK-UHFFFAOYSA-N",null,3609]
["D15944",4215,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66226","Nc1nc(CSc2nc3ccccc3[nH]2)nc(n1)N1CCOCC1","InChI=1S/C15H17N7OS/c16-13-19-12(20-14(21-13)22-5-7-23-8-6-22)9-24-15-17-10-3-1-2-4-11(10)18-15/h1-4H,5-9H2,(H,17,18)(H2,16,19,20,21)","VPCOSQVCVBCXDC-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D15945",4082,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM38920","Nc1nc(Cl)nc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1","InChI=1S/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1","PTOAARAWEBMLNO-KVQBGUIXSA-N",{"$nulls":3},">350000"]
["D15946",4758,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM50118807","Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O","InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1","HBUBKKRHXORPQB-UUOKFMHZSA-N",{"$nulls":3},">350000"]
["D15947",25888,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM25084","Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1","InChI=1S/C18H14N6O2/c19-16-15-17(24-18(20)23-16)22-14(10-4-2-6-12(26)8-10)13(21-15)9-3-1-5-11(25)7-9/h1-8,25-26H,(H4,19,20,22,23,24)","UJIAQDJKSXQLIT-UHFFFAOYSA-N",null,null,7.9]
["D15948",31299,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Cyclin-dependent kinase 11A","Homo sapiens","BDBM6866","Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F","InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)","KDKUVYLMPJIGKA-UHFFFAOYSA-N",null,null,110,{"$nulls":3},7.4,"25.00 C"]
["D15949",11842,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42995","Nc1nc(SCC(=O)C23CC4CC(CC(C4)C2)C3)c(C#N)c(-c2ccc(Cl)cc2)c1C#N","InChI=1S/C25H23ClN4OS/c26-18-3-1-17(2-4-18)22-19(11-27)23(29)30-24(20(22)12-28)32-13-21(31)25-8-14-5-15(9-25)7-16(6-14)10-25/h1-4,14-16H,5-10,13H2,(H2,29,30)","YSPNDOLGAADMRD-UHFFFAOYSA-N",{"$nulls":3},8069]
["D15950",12379,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM34265","Nc1nc(SCC(=O)NC2CCCCC2)c(C#N)c(-c2ccc(Cl)cc2)c1C#N","InChI=1S/C21H20ClN5OS/c22-14-8-6-13(7-9-14)19-16(10-23)20(25)27-21(17(19)11-24)29-12-18(28)26-15-4-2-1-3-5-15/h6-9,15H,1-5,12H2,(H2,25,27)(H,26,28)","NLIIOQVXQNLTNA-UHFFFAOYSA-N",{"$nulls":3},37060]
["D15951",11754,"7nxa_C",0.5,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDM25464","Nc1nc(Sc2ccc([N+]([O-])=O)c3nonc23)c2[nH]cnc2n1","InChI=1S/C11H6N8O3S/c12-11-15-9-8(13-3-14-9)10(16-11)23-5-2-1-4(19(20)21)6-7(5)18-22-17-6/h1-3H,(H3,12,13,14,15,16)","NPXXCZXQTLRXTP-UHFFFAOYSA-N",null,null,15190,{"$nulls":3},7.5,"30.00 C"]
["D15952",13476,"6zfo_A",0.4,"Spike glycoprotein","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDM19229526","Nc1nc(Sc2ccc([N+]([O-])=O)c3nonc23)c2[nH]cnc2n2","InChI=1S/C11H6N8O3S/c12-11-15-9-8(13-3-14-9)10(16-11)23-5-2-1-4(19(20)21)6-7(5)18-22-17-6/h1-3H,(H3,12,13,14,15,16)","NPXXCZXQTLRXTP-UHFFFAOYSA-N",null,null,33527.792906815,{"$nulls":3},6.73720738238221,"30.00 C"]
["D15953",16983,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153734","Nc1nc(cs1)-c1ccc2NC(=O)\\C(=C/c3cc(Br)c(O)c(Br)c3)c2c1","InChI=1S/C18H11Br2N3O2S/c19-12-4-8(5-13(20)16(12)24)3-11-10-6-9(15-7-26-18(21)23-15)1-2-14(10)22-17(11)25/h1-7,24H,(H2,21,23)(H,22,25)/b11-3-","KQALMYPOYXGJBX-JYOAFUTRSA-N",null,1180]
["D15954",12397,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42920","Nc1nc(cs1)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1","InChI=1S/C13H14ClN3O2S2/c14-9-3-5-10(6-4-9)21(18,19)17-7-1-2-12(17)11-8-20-13(15)16-11/h3-6,8,12H,1-2,7H2,(H2,15,16)","VCWXNYKJWJLNSS-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D15955",31729,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43652","Nc1nc(nn1C(=O)c1cccs1)-c1ccc(Cl)cc1","InChI=1S/C13H9ClN4OS/c14-9-5-3-8(4-6-9)11-16-13(15)18(17-11)12(19)10-2-1-7-20-10/h1-7H,(H2,15,16,17)","VISYCDMXPVNZOZ-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D15956",28484,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM168436","Nc1nc2ccc(SC(F)(F)F)cc2s1","InChI=1S/C8H5F3N2S2/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)","PBRVVEXJMLEKMJ-UHFFFAOYSA-N",{"$nulls":3}," 1.5e+4"]
["D15957",12430,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42946","Nc1nc2ccc(cc2s1)N1CCOCC1","InChI=1S/C11H13N3OS/c12-11-13-9-2-1-8(7-10(9)16-11)14-3-5-15-6-4-14/h1-2,7H,3-6H2,(H2,12,13)","JDHQHFVILFUOFG-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D15958",11799,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87350","Nc1nc2n(cnc2c(=S)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O","InChI=1S/C10H13N5O4S/c11-10-13-7-4(8(20)14-10)12-2-15(7)9-6(18)5(17)3(1-16)19-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,20)/t3-,5-,6-,9-/m1/s1","OTDJAMXESTUWLO-UUOKFMHZSA-N",null,2548]
["D15959",17671,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357910","Nc1nc2oc3cc(CCC4CCCC4)ccc3c(=O)c2cc1C(O)=O","InChI=1S/C20H20N2O4/c21-18-15(20(24)25)10-14-17(23)13-8-7-12(6-5-11-3-1-2-4-11)9-16(13)26-19(14)22-18/h7-11H,1-6H2,(H2,21,22)(H,24,25)","DCWQBCJFMTWAMV-UHFFFAOYSA-N",null,11400]
["D15960",18170,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357913","Nc1nc2oc3cc(F)c(cc3c(=O)c2cc1C(O)=O)C1=CCCCC1","InChI=1S/C19H15FN2O4/c20-14-8-15-11(6-10(14)9-4-2-1-3-5-9)16(23)12-7-13(19(24)25)17(21)22-18(12)26-15/h4,6-8H,1-3,5H2,(H2,21,22)(H,24,25)","VBHAIXUKUQJOCS-UHFFFAOYSA-N",null,450000]
["D15961",17026,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357907","Nc1nc2oc3cc(\\C=C\\C4CCCC4)ccc3c(=O)c2cc1C(O)=O","InChI=1S/C20H18N2O4/c21-18-15(20(24)25)10-14-17(23)13-8-7-12(6-5-11-3-1-2-4-11)9-16(13)26-19(14)22-18/h5-11H,1-4H2,(H2,21,22)(H,24,25)/b6-5+","RPCFCHGKANWILU-AATRIKPKSA-N",null,1490]
["D15962",17576,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357908","Nc1nc2oc3cc(ccc3c(=O)c2cc1C(O)=O)C1=CCCCC1","InChI=1S/C19H16N2O4/c20-17-14(19(23)24)9-13-16(22)12-7-6-11(10-4-2-1-3-5-10)8-15(12)25-18(13)21-17/h4,6-9H,1-3,5H2,(H2,20,21)(H,23,24)","BAFQSWSZWUUJJM-UHFFFAOYSA-N",null,6730]
["D15963",17269,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357911","Nc1nc2oc3cc(ccc3c(=O)c2cc1C(O)=O)C1CCCCC1","InChI=1S/C19H18N2O4/c20-17-14(19(23)24)9-13-16(22)12-7-6-11(10-4-2-1-3-5-10)8-15(12)25-18(13)21-17/h6-10H,1-5H2,(H2,20,21)(H,23,24)","GZYNTHMFEOIQMO-UHFFFAOYSA-N",null,2580]
["D15964",17242,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357924","Nc1nc2oc3ccc(Br)cc3c(=O)c2cc1C(O)=O","InChI=1S/C13H7BrN2O4/c14-5-1-2-9-6(3-5)10(17)7-4-8(13(18)19)11(15)16-12(7)20-9/h1-4H,(H2,15,16)(H,18,19)","IYRYVSGOIGWDCY-UHFFFAOYSA-N",null,2050]
["D15965",16573,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357929","Nc1nc2oc3ccc(C=C)cc3c(=O)c2cc1C(O)=O","InChI=1S/C15H10N2O4/c1-2-7-3-4-11-8(5-7)12(18)9-6-10(15(19)20)13(16)17-14(9)21-11/h2-6H,1H2,(H2,16,17)(H,19,20)","NTFMUAPFWJQUOP-UHFFFAOYSA-N",null,390]
["D15966",16816,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357884","Nc1nc2oc3ccc(CCC4CC4)cc3c(=O)c2cc1C(O)=O","InChI=1S/C18H16N2O4/c19-16-13(18(22)23)8-12-15(21)11-7-10(4-3-9-1-2-9)5-6-14(11)24-17(12)20-16/h5-9H,1-4H2,(H2,19,20)(H,22,23)","CFFJUSYKIWARJC-UHFFFAOYSA-N",null,800]
["D15967",17051,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357904","Nc1nc2oc3ccc(CCC4CCC4)cc3c(=O)c2cc1C(O)=O","InChI=1S/C19H18N2O4/c20-17-14(19(23)24)9-13-16(22)12-8-11(5-4-10-2-1-3-10)6-7-15(12)25-18(13)21-17/h6-10H,1-5H2,(H2,20,21)(H,23,24)","DVXUQQMHYLCDHQ-UHFFFAOYSA-N",null,1670]
["D15968",17597,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357885","Nc1nc2oc3ccc(CCC4CCCC4)cc3c(=O)c2cc1C(O)=O","InChI=1S/C20H20N2O4/c21-18-15(20(24)25)10-14-17(23)13-9-12(6-5-11-3-1-2-4-11)7-8-16(13)26-19(14)22-18/h7-11H,1-6H2,(H2,21,22)(H,24,25)","SOEXKGMRDDYHFO-UHFFFAOYSA-N",null,7520]
["D15969",17487,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357883","Nc1nc2oc3ccc(CCC4CCCCC4)cc3c(=O)c2cc1C(O)=O","InChI=1S/C21H22N2O4/c22-19-16(21(25)26)11-15-18(24)14-10-13(7-6-12-4-2-1-3-5-12)8-9-17(14)27-20(15)23-19/h8-12H,1-7H2,(H2,22,23)(H,25,26)","CSVFTAVELISKPL-UHFFFAOYSA-N",null,4240]
["D15970",17494,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357879","Nc1nc2oc3ccc(\\C=C\\C4CC4)cc3c(=O)c2cc1C(O)=O","InChI=1S/C18H14N2O4/c19-16-13(18(22)23)8-12-15(21)11-7-10(4-3-9-1-2-9)5-6-14(11)24-17(12)20-16/h3-9H,1-2H2,(H2,19,20)(H,22,23)/b4-3+","FJTZYRWIDJILFS-ONEGZZNKSA-N",null,4850]
["D15971",16839,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357880","Nc1nc2oc3ccc(\\C=C\\C4CCCC4)cc3c(=O)c2cc1C(O)=O","InChI=1S/C20H18N2O4/c21-18-15(20(24)25)10-14-17(23)13-9-12(6-5-11-3-1-2-4-11)7-8-16(13)26-19(14)22-18/h5-11H,1-4H2,(H2,21,22)(H,24,25)/b6-5+","STIRBBHCQFHOEU-AATRIKPKSA-N",null,880]
["D15972",17279,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357878","Nc1nc2oc3ccc(\\C=C\\C4CCCCC4)cc3c(=O)c2cc1C(O)=O","InChI=1S/C21H20N2O4/c22-19-16(21(25)26)11-15-18(24)14-10-13(7-6-12-4-2-1-3-5-12)8-9-17(14)27-20(15)23-19/h6-12H,1-5H2,(H2,22,23)(H,25,26)/b7-6+","MIFSMGYHBAGPNQ-VOTSOKGWSA-N",null,2840]
["D15973",16687,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50469234","Nc1nc2oc3ccc(cc3c(=O)c2cc1-c1nn[nH]n1)C1=CCCCC1","InChI=1S/C19H16N6O2/c20-17-14(18-22-24-25-23-18)9-13-16(26)12-8-11(10-4-2-1-3-5-10)6-7-15(12)27-19(13)21-17/h4,6-9H,1-3,5H2,(H2,20,21)(H,22,23,24,25)","MRXMSGWSWWMSMF-UHFFFAOYSA-N",null,490]
["D15974",17064,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50469236","Nc1nc2oc3ccc(cc3c(=O)c2cc1-c1nn[nH]n1)C1CCCCC1","InChI=1S/C19H18N6O2/c20-17-14(18-22-24-25-23-18)9-13-16(26)12-8-11(10-4-2-1-3-5-10)6-7-15(12)27-19(13)21-17/h6-10H,1-5H2,(H2,20,21)(H,22,23,24,25)","RSOFTPCUQSPDOD-UHFFFAOYSA-N",null,1900]
["D15975",16720,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50469231","Nc1nc2oc3ccc(cc3c(=O)c2cc1-c1nn[nH]n1)N1CCOCC1","InChI=1S/C17H15N7O3/c18-15-12(16-20-22-23-21-16)8-11-14(25)10-7-9(24-3-5-26-6-4-24)1-2-13(10)27-17(11)19-15/h1-2,7-8H,3-6H2,(H2,18,19)(H,20,21,22,23)","IUYVWTVARMTLCH-UHFFFAOYSA-N",null,537]
["D15976",16427,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357865","Nc1nc2oc3ccc(cc3c(=O)c2cc1-c1nnn[nH]1)N1CCOCC1","InChI=1S/C17H15N7O3/c18-15-12(16-20-22-23-21-16)8-11-14(25)10-7-9(24-3-5-26-6-4-24)1-2-13(10)27-17(11)19-15/h1-2,7-8H,3-6H2,(H2,18,19)(H,20,21,22,23)","IUYVWTVARMTLCH-UHFFFAOYSA-N",null,240]
["D15977",16802,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50469229","Nc1nc2oc3ccc(cc3c(=O)c2cc1C(=O)Nc1nn[nH]n1)N1CCOCC1","InChI=1S/C18H16N8O4/c19-15-12(16(28)21-18-22-24-25-23-18)8-11-14(27)10-7-9(26-3-5-29-6-4-26)1-2-13(10)30-17(11)20-15/h1-2,7-8H,3-6H2,(H2,19,20)(H2,21,22,23,24,25,28)","AJNUNEZPUCBMIF-UHFFFAOYSA-N",null,760]
["D15978",17024,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357890","Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)-c1ccccc1","InChI=1S/C19H12N2O4/c20-17-14(19(23)24)9-13-16(22)12-8-11(10-4-2-1-3-5-10)6-7-15(12)25-18(13)21-17/h1-9H,(H2,20,21)(H,23,24)","LWECEBDRLGDNES-UHFFFAOYSA-N",null,1450]
["D15979",17420,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357902","Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C#CC1CC1","InChI=1S/C18H12N2O4/c19-16-13(18(22)23)8-12-15(21)11-7-10(4-3-9-1-2-9)5-6-14(11)24-17(12)20-16/h5-9H,1-2H2,(H2,19,20)(H,22,23)","YLINQFYDFPJXHY-UHFFFAOYSA-N",null,3980]
["D15980",17394,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357918","Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C(F)(F)F","InChI=1S/C14H7F3N2O4/c15-14(16,17)5-1-2-9-6(3-5)10(20)7-4-8(13(21)22)11(18)19-12(7)23-9/h1-4H,(H2,18,19)(H,21,22)","WFGOVSIRSLDDJU-UHFFFAOYSA-N",null,3010]
["D15981",17413,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357873","Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1=CCC(CC1)C(F)(F)F","InChI=1S/C20H15F3N2O4/c21-20(22,23)11-4-1-9(2-5-11)10-3-6-15-12(7-10)16(26)13-8-14(19(27)28)17(24)25-18(13)29-15/h1,3,6-8,11H,2,4-5H2,(H2,24,25)(H,27,28)","BHUHKHCMVNDLAA-UHFFFAOYSA-N",null,3760]
["D15982",16981,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357887","Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1=CCC(F)(F)CC1","InChI=1S/C19H14F2N2O4/c20-19(21)5-3-9(4-6-19)10-1-2-14-11(7-10)15(24)12-8-13(18(25)26)16(22)23-17(12)27-14/h1-3,7-8H,4-6H2,(H2,22,23)(H,25,26)","BVONOGZFUWUGHS-UHFFFAOYSA-N",null,1170]
["D15983",16986,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357874","Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1=CCC(O)CC1","InChI=1S/C19H16N2O5/c20-17-14(19(24)25)8-13-16(23)12-7-10(9-1-4-11(22)5-2-9)3-6-15(12)26-18(13)21-17/h1,3,6-8,11,22H,2,4-5H2,(H2,20,21)(H,24,25)","XGVLVOVCMCFPGA-UHFFFAOYSA-N",null,1200]
["D15984",16800,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357895","Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1=CCC2(CC1)OCCO2","InChI=1S/C21H18N2O6/c22-18-15(20(25)26)10-14-17(24)13-9-12(1-2-16(13)29-19(14)23-18)11-3-5-21(6-4-11)27-7-8-28-21/h1-3,9-10H,4-8H2,(H2,22,23)(H,25,26)","OSKHCVGUWCGWIV-UHFFFAOYSA-N",null,750]
["D15985",16741,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357861","Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1=CCCCC1","InChI=1S/C19H16N2O4/c20-17-14(19(23)24)9-13-16(22)12-8-11(10-4-2-1-3-5-10)6-7-15(12)25-18(13)21-17/h4,6-9H,1-3,5H2,(H2,20,21)(H,23,24)","FPHLYGOPZBJDSY-UHFFFAOYSA-N",null,560]
["D15986",17404,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357867","Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1=CCNCC1","InChI=1S/C18H15N3O4/c19-16-13(18(23)24)8-12-15(22)11-7-10(9-3-5-20-6-4-9)1-2-14(11)25-17(12)21-16/h1-3,7-8,20H,4-6H2,(H2,19,21)(H,23,24)","KBAOZFPNRPZXQD-UHFFFAOYSA-N",null,3460]
["D15987",16429,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357871","Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1=CCOCC1","InChI=1S/C18H14N2O5/c19-16-13(18(22)23)8-12-15(21)11-7-10(9-3-5-24-6-4-9)1-2-14(11)25-17(12)20-16/h1-3,7-8H,4-6H2,(H2,19,20)(H,22,23)","RIFIXUUVXCZMHI-UHFFFAOYSA-N",null,240]
["D15988",17033,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357858","Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CC1","InChI=1S/C16H12N2O4/c17-14-11(16(20)21)6-10-13(19)9-5-8(7-1-2-7)3-4-12(9)22-15(10)18-14/h3-7H,1-2H2,(H2,17,18)(H,20,21)","SSVYLOXDVCDZMZ-UHFFFAOYSA-N",null,1510]
["D15989",16529,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357897","Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCC(=O)CC1","InChI=1S/C19H16N2O5/c20-17-14(19(24)25)8-13-16(23)12-7-10(9-1-4-11(22)5-2-9)3-6-15(12)26-18(13)21-17/h3,6-9H,1-2,4-5H2,(H2,20,21)(H,24,25)","HSXPCXUYKCHCJZ-UHFFFAOYSA-N",null,330]
["D15990",17261,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357876","Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCC(CC1)C(F)(F)F","InChI=1S/C20H17F3N2O4/c21-20(22,23)11-4-1-9(2-5-11)10-3-6-15-12(7-10)16(26)13-8-14(19(27)28)17(24)25-18(13)29-15/h3,6-9,11H,1-2,4-5H2,(H2,24,25)(H,27,28)","IWRDAGPFBDIOHT-UHFFFAOYSA-N",null,2300]
["D15991",16559,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357889","Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCC(F)(F)CC1","InChI=1S/C19H16F2N2O4/c20-19(21)5-3-9(4-6-19)10-1-2-14-11(7-10)15(24)12-8-13(18(25)26)16(22)23-17(12)27-14/h1-2,7-9H,3-6H2,(H2,22,23)(H,25,26)","YBTHXDAXRWKGKS-UHFFFAOYSA-N",null,370]
["D15992",16367,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357877","Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCC(O)CC1","InChI=1S/C19H18N2O5/c20-17-14(19(24)25)8-13-16(23)12-7-10(9-1-4-11(22)5-2-9)3-6-15(12)26-18(13)21-17/h3,6-9,11,22H,1-2,4-5H2,(H2,20,21)(H,24,25)","MNBUVQJXQYKUPN-UHFFFAOYSA-N",null,190]
["D15993",16740,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357859","Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCC1","InChI=1S/C17H14N2O4/c18-15-12(17(21)22)7-11-14(20)10-6-9(8-2-1-3-8)4-5-13(10)23-16(11)19-15/h4-8H,1-3H2,(H2,18,19)(H,21,22)","WUDLJIYTGMJVGL-UHFFFAOYSA-N",null,560]
["D15994",16451,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357896","Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCC2(CC1)OCCO2","InChI=1S/C21H20N2O6/c22-18-15(20(25)26)10-14-17(24)13-9-12(1-2-16(13)29-19(14)23-18)11-3-5-21(6-4-11)27-7-8-28-21/h1-2,9-11H,3-8H2,(H2,22,23)(H,25,26)","LMPQBKHRVPCQDA-UHFFFAOYSA-N",null,260]
["D15995",16539,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357860","Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCCC1","InChI=1S/C18H16N2O4/c19-16-13(18(22)23)8-12-15(21)11-7-10(9-3-1-2-4-9)5-6-14(11)24-17(12)20-16/h5-9H,1-4H2,(H2,19,20)(H,22,23)","IFNUUMBKQALSBU-UHFFFAOYSA-N",null,340]
["D15996",17049,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357862","Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCCCC1","InChI=1S/C19H18N2O4/c20-17-14(19(23)24)9-13-16(22)12-8-11(10-4-2-1-3-5-10)6-7-15(12)25-18(13)21-17/h6-10H,1-5H2,(H2,20,21)(H,23,24)","UAVIDUCFDBSNEX-UHFFFAOYSA-N",null,1670]
["D15997",17410,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357863","Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCCCCC1","InChI=1S/C20H20N2O4/c21-18-15(20(24)25)10-14-17(23)13-9-12(11-5-3-1-2-4-6-11)7-8-16(13)26-19(14)22-18/h7-11H,1-6H2,(H2,21,22)(H,24,25)","FKOSZOLEWMIKNF-UHFFFAOYSA-N",null,3650]
["D15998",16311,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357870","Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCN(CC1)C=O","InChI=1S/C19H17N3O5/c20-17-14(19(25)26)8-13-16(24)12-7-11(1-2-15(12)27-18(13)21-17)10-3-5-22(9-23)6-4-10/h1-2,7-10H,3-6H2,(H2,20,21)(H,25,26)","XPNDRKFLBNNMJB-UHFFFAOYSA-N",null,150]
["D15999",17571,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357868","Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCNCC1","InChI=1S/C18H17N3O4/c19-16-13(18(23)24)8-12-15(22)11-7-10(9-3-5-20-6-4-9)1-2-14(11)25-17(12)21-16/h1-2,7-9,20H,3-6H2,(H2,19,21)(H,23,24)","UWBCIUTVTKTYST-UHFFFAOYSA-N",null,6100]
["D16000",16366,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357872","Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCOCC1","InChI=1S/C18H16N2O5/c19-16-13(18(22)23)8-12-15(21)11-7-10(9-3-5-24-6-4-9)1-2-14(11)25-17(12)20-16/h1-2,7-9H,3-6H2,(H2,19,20)(H,22,23)","SXKYBRCNSCMDKA-UHFFFAOYSA-N",null,190]
["D16001",16344,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357894","Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCS(=O)(=O)CC1","InChI=1S/C18H16N2O6S/c19-16-13(18(22)23)8-12-15(21)11-7-10(1-2-14(11)26-17(12)20-16)9-3-5-27(24,25)6-4-9/h1-2,7-9H,3-6H2,(H2,19,20)(H,22,23)","YLXHHSZCWBYDQH-UHFFFAOYSA-N",null,170]
["D16002",16488,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357893","Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCSCC1","InChI=1S/C18H16N2O4S/c19-16-13(18(22)23)8-12-15(21)11-7-10(9-3-5-25-6-4-9)1-2-14(11)24-17(12)20-16/h1-2,7-9H,3-6H2,(H2,19,20)(H,22,23)","XVFXLPHBPBGJMX-UHFFFAOYSA-N",null,290]
["D16003",16236,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357864","Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)N1CCOCC1","InChI=1S/C17H15N3O5/c18-15-12(17(22)23)8-11-14(21)10-7-9(20-3-5-24-6-4-20)1-2-13(10)25-16(11)19-15/h1-2,7-8H,3-6H2,(H2,18,19)(H,22,23)","JMNRDTAZQNMMIL-UHFFFAOYSA-N",null,110]
["D16004",17013,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357900","Nc1nc2oc3cnc(cc3c(=O)c2cc1C(O)=O)C1=CCCCC1","InChI=1S/C18H15N3O4/c19-16-12(18(23)24)6-11-15(22)10-7-13(9-4-2-1-3-5-9)20-8-14(10)25-17(11)21-16/h4,6-8H,1-3,5H2,(H2,19,21)(H,23,24)","NEEUDSQELOSEMY-UHFFFAOYSA-N",null,1400]
["D16005",16970,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357901","Nc1nc2oc3cnc(cc3c(=O)c2cc1C(O)=O)C1CCCCC1","InChI=1S/C18H17N3O4/c19-16-12(18(23)24)6-11-15(22)10-7-13(9-4-2-1-3-5-9)20-8-14(10)25-17(11)21-16/h6-9H,1-5H2,(H2,19,21)(H,23,24)","RTSSITRIKONLNA-UHFFFAOYSA-N",null,1070]
["D16006",17538,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM331162","Nc1ncc(-c2c[nH]c3ncccc23)c2ccncc12","InChI=1S/C15H11N5/c16-14-13-6-17-5-3-9(13)11(7-19-14)12-8-20-15-10(12)2-1-4-18-15/h1-8H,(H2,16,19)(H,18,20)","AKIVVGUYCMQJHZ-UHFFFAOYSA-N",null,5500]
["D16007",680,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144332","Nc1ncc(CC(C(O)=O)c2cnc[nH]2)cc1Cl","InChI=1S/C11H11ClN4O2/c12-8-2-6(3-15-10(8)13)1-7(11(17)18)9-4-14-5-16-9/h2-5,7H,1H2,(H2,13,15)(H,14,16)(H,17,18)","MJTFFPFQFJNAGQ-UHFFFAOYSA-N",null,5300]
["D16008",686,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144327","Nc1ncc(CC(C(O)=O)c2cnc[nH]2)cc1F","InChI=1S/C11H11FN4O2/c12-8-2-6(3-15-10(8)13)1-7(11(17)18)9-4-14-5-16-9/h2-5,7H,1H2,(H2,13,15)(H,14,16)(H,17,18)","SMMKWWBBCKGWEQ-UHFFFAOYSA-N",null,6700]
["D16009",748,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144326","Nc1ncc(CC(C(O)=O)c2cnc[nH]2)cn1","InChI=1S/C10H11N5O2/c11-10-13-2-6(3-14-10)1-7(9(16)17)8-4-12-5-15-8/h2-5,7H,1H2,(H,12,15)(H,16,17)(H2,11,13,14)","NJGUDXAPBJKTEW-UHFFFAOYSA-N",null,67000]
["D16010",379,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50395730","Nc1ncc(CC(C[Se][Se]CC(Cc2cnc(N)c(Cl)c2)C(O)=O)C(O)=O)cc1Cl","InChI=1S/C18H20Cl2N4O4Se2/c19-13-3-9(5-23-15(13)21)1-11(17(25)26)7-29-30-8-12(18(27)28)2-10-4-14(20)16(22)24-6-10/h3-6,11-12H,1-2,7-8H2,(H2,21,23)(H2,22,24)(H,25,26)(H,27,28)","LKLRNWHRLUKWFJ-UHFFFAOYSA-N",null,2.5]
["D16011",14711,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278337","Nc1ncc([nH]1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1",{"$nulls":3},5]
["D16012",16841,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209669","Nc1ncc(cc1C(=O)Nc1ccnc2ccoc12)-c1ccc(CN2CCOCC2)s1","InChI=1S/C22H21N5O3S/c23-21-16(22(28)26-18-3-5-24-17-4-8-30-20(17)18)11-14(12-25-21)19-2-1-15(31-19)13-27-6-9-29-10-7-27/h1-5,8,11-12H,6-7,9-10,13H2,(H2,23,25)(H,24,26,28)","SVSGSVOKSPDTIL-UHFFFAOYSA-N",null,890,{"$nulls":4},7.5,"30.00 C"]
["D16013",16708,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209696","Nc1ncc(cc1C(=O)Nc1ccncc1)-c1c[nH]c2ccccc12","InChI=1S/C19H15N5O/c20-18-15(19(25)24-13-5-7-21-8-6-13)9-12(10-23-18)16-11-22-17-4-2-1-3-14(16)17/h1-11,22H,(H2,20,23)(H,21,24,25)","NHEUUFMAYLMPKA-UHFFFAOYSA-N",null,510,{"$nulls":4},7.5,"30.00 C"]
["D16014",16575,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209695","Nc1ncc(cc1C(=O)Nc1ccncc1)-c1cc2ccccc2[nH]1","InChI=1S/C19H15N5O/c20-18-15(19(25)23-14-5-7-21-8-6-14)9-13(11-22-18)17-10-12-3-1-2-4-16(12)24-17/h1-11,24H,(H2,20,22)(H,21,23,25)","PJBRSXFQFUBGPW-UHFFFAOYSA-N",null,390,{"$nulls":4},7.5,"30.00 C"]
["D16015",16756,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209692","Nc1ncc(cc1C(=O)Nc1ccncc1)-c1cc2ccccc2s1","InChI=1S/C19H14N4OS/c20-18-15(19(24)23-14-5-7-21-8-6-14)9-13(11-22-18)17-10-12-3-1-2-4-16(12)25-17/h1-11H,(H2,20,22)(H,21,23,24)","IGGCQUOVHYNLKC-UHFFFAOYSA-N",null,630,{"$nulls":4},7.5,"30.00 C"]
["D16016",16313,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209699","Nc1ncc(cc1C(=O)Nc1ccncc1)-c1cc[nH]c1","InChI=1S/C15H13N5O/c16-14-13(15(21)20-12-2-5-17-6-3-12)7-11(9-19-14)10-1-4-18-8-10/h1-9,18H,(H2,16,19)(H,17,20,21)","FXOQQOTXASSILN-UHFFFAOYSA-N",null,150,{"$nulls":4},7.5,"30.00 C"]
["D16017",16433,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209672","Nc1ncc(cc1C(=O)Nc1ccncc1)-c1ccc(CCC(O)=O)cc1","InChI=1S/C20H18N4O3/c21-19-17(20(27)24-16-7-9-22-10-8-16)11-15(12-23-19)14-4-1-13(2-5-14)3-6-18(25)26/h1-2,4-5,7-12H,3,6H2,(H2,21,23)(H,25,26)(H,22,24,27)","XXDNMKSTCJGGQP-UHFFFAOYSA-N",null,250,{"$nulls":4},7.5,"30.00 C"]
["D16018",16280,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209639","Nc1ncc(cc1C(=O)Nc1ccncc1)-c1ccc(CN2CCCC2)s1","InChI=1S/C20H21N5OS/c21-19-17(20(26)24-15-5-7-22-8-6-15)11-14(12-23-19)18-4-3-16(27-18)13-25-9-1-2-10-25/h3-8,11-12H,1-2,9-10,13H2,(H2,21,23)(H,22,24,26)","SPYTVKZEORYOEZ-UHFFFAOYSA-N",null,130,{"$nulls":4},7.5,"30.00 C"]
["D16019",16574,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209702","Nc1ncc(cc1C(=O)Nc1ccncc1)-c1ccc(CN2CCCCC2)s1","InChI=1S/C21H23N5OS/c22-20-18(21(27)25-16-6-8-23-9-7-16)12-15(13-24-20)19-5-4-17(28-19)14-26-10-2-1-3-11-26/h4-9,12-13H,1-3,10-11,14H2,(H2,22,24)(H,23,25,27)","KEZNARMJBJOFQB-UHFFFAOYSA-N",null,390,{"$nulls":4},7.5,"30.00 C"]
["D16020",15973,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209694","Nc1ncc(cc1C(=O)Nc1ccncc1)-c1ccc(CN2CCOCC2)s1","InChI=1S/C20H21N5O2S/c21-19-17(20(26)24-15-3-5-22-6-4-15)11-14(12-23-19)18-2-1-16(28-18)13-25-7-9-27-10-8-25/h1-6,11-12H,7-10,13H2,(H2,21,23)(H,22,24,26)","BXMGOFSMDOETKZ-UHFFFAOYSA-N",null,88,{"$nulls":4},7.5,"30.00 C"]
["D16021",16252,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209642","Nc1ncc(cc1C(=O)Nc1ccncc1)-c1ccc(cc1)-n1cccn1","InChI=1S/C20H16N6O/c21-19-18(20(27)25-16-6-9-22-10-7-16)12-15(13-23-19)14-2-4-17(5-3-14)26-11-1-8-24-26/h1-13H,(H2,21,23)(H,22,25,27)","RRQPRTMYJUAVMC-UHFFFAOYSA-N",null,120,{"$nulls":4},7.5,"30.00 C"]
["D16022",16586,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209671","Nc1ncc(cc1C(=O)Nc1ccncc1)-c1ccc(cc1)C(O)=O","InChI=1S/C18H14N4O3/c19-16-15(17(23)22-14-5-7-20-8-6-14)9-13(10-21-16)11-1-3-12(4-2-11)18(24)25/h1-10H,(H2,19,21)(H,24,25)(H,20,22,23)","FEWKHURGVUMFHP-UHFFFAOYSA-N",null,400,{"$nulls":4},7.5,"30.00 C"]
["D16023",16312,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209644","Nc1ncc(cc1C(=O)Nc1ccncc1)-c1ccc(cc1)S(N)(=O)=O","InChI=1S/C17H15N5O3S/c18-16-15(17(23)22-13-5-7-20-8-6-13)9-12(10-21-16)11-1-3-14(4-2-11)26(19,24)25/h1-10H,(H2,18,21)(H2,19,24,25)(H,20,22,23)","MRXIXCQHUIFLME-UHFFFAOYSA-N",null,150,{"$nulls":4},7.5,"30.00 C"]
["D16024",16804,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209649","Nc1ncc(cc1C(=O)Nc1ccncc1)-c1ccc(nc1)N1CCNCC1","InChI=1S/C20H21N7O/c21-19-17(20(28)26-16-3-5-22-6-4-16)11-15(13-25-19)14-1-2-18(24-12-14)27-9-7-23-8-10-27/h1-6,11-13,23H,7-10H2,(H2,21,25)(H,22,26,28)","BWZFHPDMLLCYGG-UHFFFAOYSA-N",null,770,{"$nulls":4},7.5,"30.00 C"]
["D16025",16595,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209697","Nc1ncc(cc1C(=O)Nc1ccncc1)-c1ccc[nH]1","InChI=1S/C15H13N5O/c16-14-12(15(21)20-11-3-6-17-7-4-11)8-10(9-19-14)13-2-1-5-18-13/h1-9,18H,(H2,16,19)(H,17,20,21)","DPUDZPAMJPBTGY-UHFFFAOYSA-N",null,410,{"$nulls":4},7.5,"30.00 C"]
["D16026",16587,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209641","Nc1ncc(cc1C(=O)Nc1ccncc1)-c1cccc(c1)-n1cccn1","InChI=1S/C20H16N6O/c21-19-18(20(27)25-16-5-8-22-9-6-16)12-15(13-23-19)14-3-1-4-17(11-14)26-10-2-7-24-26/h1-13H,(H2,21,23)(H,22,25,27)","ABSILEKDPLDCAC-UHFFFAOYSA-N",null,400,{"$nulls":4},7.5,"30.00 C"]
["D16027",16975,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209677","Nc1ncc(cc1C(=O)Nc1ccncc1)-c1cccc(c1)C(O)=O","InChI=1S/C18H14N4O3/c19-16-15(17(23)22-14-4-6-20-7-5-14)9-13(10-21-16)11-2-1-3-12(8-11)18(24)25/h1-10H,(H2,19,21)(H,24,25)(H,20,22,23)","KFYIPIUHUMDOFZ-UHFFFAOYSA-N",null,1100,{"$nulls":4},7.5,"30.00 C"]
["D16028",16751,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209685","Nc1ncc(cc1C(=O)Nc1ccncc1)-c1ccoc1","InChI=1S/C15H12N4O2/c16-14-13(15(20)19-12-1-4-17-5-2-12)7-11(8-18-14)10-3-6-21-9-10/h1-9H,(H2,16,18)(H,17,19,20)","GJVSHKMQEGTVTJ-UHFFFAOYSA-N",null,610,{"$nulls":4},7.5,"30.00 C"]
["D16029",16592,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209689","Nc1ncc(cc1C(=O)Nc1ccncc1)-c1ccsc1","InChI=1S/C15H12N4OS/c16-14-13(15(20)19-12-1-4-17-5-2-12)7-11(8-18-14)10-3-6-21-9-10/h1-9H,(H2,16,18)(H,17,19,20)","BBJKFMYLMLVUDU-UHFFFAOYSA-N",null,410,{"$nulls":4},7.5,"30.00 C"]
["D16030",16473,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209674","Nc1ncc(cc1C(=O)Nc1ccncc1)-c1cn[nH]c1","InChI=1S/C14H12N6O/c15-13-12(14(21)20-11-1-3-16-4-2-11)5-9(6-17-13)10-7-18-19-8-10/h1-8H,(H2,15,17)(H,18,19)(H,16,20,21)","BUOPARGTGBRMBL-UHFFFAOYSA-N",null,280,{"$nulls":4},7.5,"30.00 C"]
["D16031",16558,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209698","Nc1ncc(cc1C(=O)Nc1ccncc1)-c1cnc2ccccn12","InChI=1S/C18H14N6O/c19-17-14(18(25)23-13-4-6-20-7-5-13)9-12(10-22-17)15-11-21-16-3-1-2-8-24(15)16/h1-11H,(H2,19,22)(H,20,23,25)","RMMRJZSYFHLPEE-UHFFFAOYSA-N",null,370,{"$nulls":4},7.5,"30.00 C"]
["D16032",16797,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209691","Nc1ncc(cc1C(=O)Nc1ccncc1)-c1cnn(CCN2CCOCC2)c1","InChI=1S/C20H23N7O2/c21-19-18(20(28)25-17-1-3-22-4-2-17)11-15(12-23-19)16-13-24-27(14-16)6-5-26-7-9-29-10-8-26/h1-4,11-14H,5-10H2,(H2,21,23)(H,22,25,28)","KZXWFUQZOSWUCY-UHFFFAOYSA-N",null,740,{"$nulls":4},7.5,"30.00 C"]
["D16033",16776,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209682","Nc1ncc(cc1C(=O)Nc1ccncc1)-c1cnn(CCO)c1","InChI=1S/C16H16N6O2/c17-15-14(16(24)21-13-1-3-18-4-2-13)7-11(8-19-15)12-9-20-22(10-12)5-6-23/h1-4,7-10,23H,5-6H2,(H2,17,19)(H,18,21,24)","LUAMPNIJKVRSAF-UHFFFAOYSA-N",null,670,{"$nulls":4},7.5,"30.00 C"]
["D16034",16253,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209686","Nc1ncc(cc1C(=O)Nc1ccncc1)-c1cnn(Cc2ccccc2)c1","InChI=1S/C21H18N6O/c22-20-19(21(28)26-18-6-8-23-9-7-18)10-16(11-24-20)17-12-25-27(14-17)13-15-4-2-1-3-5-15/h1-12,14H,13H2,(H2,22,24)(H,23,26,28)","ZIRAJQJDABKSFH-UHFFFAOYSA-N",null,120,{"$nulls":4},7.5,"30.00 C"]
["D16035",16417,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209700","Nc1ncc(cc1C(=O)Nc1ccncc1)-c1coc2ccccc12","InChI=1S/C19H14N4O2/c20-18-15(19(24)23-13-5-7-21-8-6-13)9-12(10-22-18)16-11-25-17-4-2-1-3-14(16)17/h1-11H,(H2,20,22)(H,21,23,24)","QDJHWYVWXZCCGP-UHFFFAOYSA-N",null,230,{"$nulls":4},7.5,"30.00 C"]
["D16036",16294,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209683","Nc1ncc(cc1C(=O)Nc1ccncc1)-c1csc(CN2CCOCC2)c1","InChI=1S/C20H21N5O2S/c21-19-18(20(26)24-16-1-3-22-4-2-16)10-14(11-23-19)15-9-17(28-13-15)12-25-5-7-27-8-6-25/h1-4,9-11,13H,5-8,12H2,(H2,21,23)(H,22,24,26)","YXNUVQPEHUKSLS-UHFFFAOYSA-N",null,140,{"$nulls":4},7.5,"30.00 C"]
["D16037",16434,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209673","Nc1ncc(cc1C(=O)Nc1ccncc1Cl)-c1ccc(CN2CCOCC2)s1","InChI=1S/C20H20ClN5O2S/c21-16-11-23-4-3-17(16)25-20(27)15-9-13(10-24-19(15)22)18-2-1-14(29-18)12-26-5-7-28-8-6-26/h1-4,9-11H,5-8,12H2,(H2,22,24)(H,23,25,27)","BHMSKCZYCFPYKC-UHFFFAOYSA-N",null,250,{"$nulls":4},7.5,"30.00 C"]
["D16038",16820,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209667","Nc1ncc(cc1C(=O)Nc1ccncn1)-c1ccc(CN2CCOCC2)s1","InChI=1S/C19H20N6O2S/c20-18-15(19(26)24-17-3-4-21-12-23-17)9-13(10-22-18)16-2-1-14(28-16)11-25-5-7-27-8-6-25/h1-4,9-10,12H,5-8,11H2,(H2,20,22)(H,21,23,24,26)","BSTMMSHLHCVWOV-UHFFFAOYSA-N",null,810,{"$nulls":4},7.5,"30.00 C"]
["D16039",16428,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209655","Nc1ncc(cc1C(=O)Nc1ccnnc1)-c1ccc(CN2CCOCC2)s1","InChI=1S/C19H20N6O2S/c20-18-16(19(26)24-14-3-4-22-23-11-14)9-13(10-21-18)17-2-1-15(28-17)12-25-5-7-27-8-6-25/h1-4,9-11H,5-8,12H2,(H2,20,21)(H,22,24,26)","ISADMOXHYKRVEW-UHFFFAOYSA-N",null,240,{"$nulls":4},7.5,"30.00 C"]
["D16040",16811,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209658","Nc1ncc(cc1C(=O)Nc1ccnnc1)-c1cccc(c1)-n1cccn1","InChI=1S/C19H15N7O/c20-18-17(19(27)25-15-5-7-22-23-12-15)10-14(11-21-18)13-3-1-4-16(9-13)26-8-2-6-24-26/h1-12H,(H2,20,21)(H,22,25,27)","GIWAUMWDROOOBY-UHFFFAOYSA-N",null,790,{"$nulls":4},7.5,"30.00 C"]
["D16041",17486,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209653","Nc1ncc(nc1C(=O)Nc1ccncc1)-c1ccc(CN2CCCC2)s1","InChI=1S/C19H20N6OS/c20-18-17(19(26)23-13-5-7-21-8-6-13)24-15(11-22-18)16-4-3-14(27-16)12-25-9-1-2-10-25/h3-8,11H,1-2,9-10,12H2,(H2,20,22)(H,21,23,26)","OMOXTMUUFOXFFR-UHFFFAOYSA-N",null,4200,{"$nulls":4},7.5,"30.00 C"]
["D16042",17427,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209652","Nc1ncc(nc1C(=O)Nc1ccncc1)-c1ccc(CN2CCCCC2)s1","InChI=1S/C20H22N6OS/c21-19-18(20(27)24-14-6-8-22-9-7-14)25-16(12-23-19)17-5-4-15(28-17)13-26-10-2-1-3-11-26/h4-9,12H,1-3,10-11,13H2,(H2,21,23)(H,22,24,27)","VWYUAZMGQGZOBN-UHFFFAOYSA-N",null,4000,{"$nulls":4},7.5,"30.00 C"]
["D16043",16899,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209647","Nc1ncc(nc1C(=O)Nc1ccncc1)-c1ccc(CN2CCOCC2)s1","InChI=1S/C19H20N6O2S/c20-18-17(19(26)23-13-3-5-21-6-4-13)24-15(11-22-18)16-2-1-14(28-16)12-25-7-9-27-10-8-25/h1-6,11H,7-10,12H2,(H2,20,22)(H,21,23,26)","LFGSHASYSHJIGU-UHFFFAOYSA-N",null,1000,{"$nulls":4},7.5,"30.00 C"]
["D16044",17617,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM209651","Nc1ncc(nc1C(=O)Nc1ccncc1)-c1cnn(CC2OCCO2)c1","InChI=1S/C17H17N7O3/c18-16-15(17(25)22-12-1-3-19-4-2-12)23-13(8-20-16)11-7-21-24(9-11)10-14-26-5-6-27-14/h1-4,7-9,14H,5-6,10H2,(H2,18,20)(H,19,22,25)","OFVJCTMBIKLRNL-UHFFFAOYSA-N",null,8300,{"$nulls":4},7.5,"30.00 C"]
["D16045",11788,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87308","Nc1nccc(n1)-c1ccc(cc1)-n1cnc2ccccc12","InChI=1S/C17H13N5/c18-17-19-10-9-14(21-17)12-5-7-13(8-6-12)22-11-20-15-3-1-2-4-16(15)22/h1-11H,(H2,18,19,21)","HRVCVRYPQNBZKI-UHFFFAOYSA-N",null,1913]
["D16046",12179,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87353","Nc1ncccc1C(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1","InChI=1S/C18H19ClN4O5S/c19-13-3-5-14(6-4-13)29(26,27)23-10-8-22(9-11-23)16(24)12-28-18(25)15-2-1-7-21-17(15)20/h1-7H,8-12H2,(H2,20,21)","LXJZOYYDUUUZLT-UHFFFAOYSA-N",null,7740]
["D16047",15194,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278117","Nc1nccnc1C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C33H34FN11O3/c34-26-17-45(32(46)29-30(36)38-9-8-37-29)10-7-28(26)48-27-6-1-21(15-22(27)16-35)31-39-20-40-33(42-31)41-23-2-4-24(5-3-23)43-11-13-44(14-12-43)25-18-47-19-25/h1-6,8-9,15,20,25-26,28H,7,10-14,17-19H2,(H2,36,38)(H,39,40,41,42)/t26-,28+/m1/s1","TUDVAHLWBUYQRR-IAPPQJPRSA-N",null,14]
["D16048",12136,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87283","Nc1ncnc(NCc2ccccc2)c1[N+]([O-])=O","InChI=1S/C11H11N5O2/c12-10-9(16(17)18)11(15-7-14-10)13-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,12,13,14,15)","XWJNZVRWZJENTG-UHFFFAOYSA-N",null,5597]
["D16049",31744,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43548","Nc1nnc(Cc2c[nH]c3ccccc23)s1","InChI=1S/C11H10N4S/c12-11-15-14-10(16-11)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6,13H,5H2,(H2,12,15)","SCTCFEMYJYGVJN-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D16050",4220,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66229","Nc1nonc1-c1nc2ccccc2n1CC(=O)NC1CCCC1","InChI=1S/C16H18N6O2/c17-15-14(20-24-21-15)16-19-11-7-3-4-8-12(11)22(16)9-13(23)18-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H2,17,21)(H,18,23)","PMSOMNNQJZCLEV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16051",4018,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66920","Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(Br)cc2)c1CN1CCOCC1","InChI=1S/C17H18BrN9O3/c18-12-3-1-11(2-4-12)9-20-22-17(28)14-13(10-26-5-7-29-8-6-26)27(25-21-14)16-15(19)23-30-24-16/h1-4,9H,5-8,10H2,(H2,19,23)(H,22,28)","VKMYLYZVYRHWOO-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16052",11781,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM51762","O.Cl.CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12","InChI=1S/C33H38N4O6.ClH.H2O/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2;;/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3;1H;1H2/t33-;;/m0../s1","OHNBIIZWIUBGTK-NYPSMHOZSA-N",null,1522]
["D16053",4010,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66912","O=C(C(Cc1ccccc1)NC(=O)c1ccccc1)N1CCCCCC1","InChI=1S/C22H26N2O2/c25-21(19-13-7-4-8-14-19)23-20(17-18-11-5-3-6-12-18)22(26)24-15-9-1-2-10-16-24/h3-8,11-14,20H,1-2,9-10,15-17H2,(H,23,25)","GELXWPLRAJVJNR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16054",26053,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1/alpha-1B/alpha-2/delta-1","Rattus norvegicus","BDBM50481870","O=C(C(c1ccccc1)c1ccccc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1","InChI=1S/C31H30N2O/c34-31(29(25-13-5-1-6-14-25)26-15-7-2-8-16-26)33-23-21-32(22-24-33)30(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29-30H,21-24H2","GNGAFWNGMQIIFB-UHFFFAOYSA-N",null,">50000"]
["D16055",14971,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478803","O=C(C1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cc(NC4CC4)ncn3)c2)CC1","InChI=1S/C28H31N9O/c38-27(19-1-2-19)37-11-9-36(10-12-37)16-18-7-8-29-25(13-18)35-28-33-22-6-3-20(14-24(22)34-28)23-15-26(31-17-30-23)32-21-4-5-21/h3,6-8,13-15,17,19,21H,1-2,4-5,9-12,16H2,(H,30,31,32)(H2,29,33,34,35)","SQPKPVMDFLXHIG-UHFFFAOYSA-N",null,1]
["D16056",14966,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478805","O=C(C1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cc(NC4CCC4)ncn3)c2)CC1","InChI=1S/C29H33N9O/c39-28(20-4-5-20)38-12-10-37(11-13-38)17-19-8-9-30-26(14-19)36-29-34-23-7-6-21(15-25(23)35-29)24-16-27(32-18-31-24)33-22-2-1-3-22/h6-9,14-16,18,20,22H,1-5,10-13,17H2,(H,31,32,33)(H2,30,34,35,36)","SLVVFPMGKZTAQF-UHFFFAOYSA-N",null,0.96]
["D16057",18393,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478780","O=C(C1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cc(NCC4CC4)ncn3)c2)CC1","InChI=1S/C29H33N9O/c39-28(21-3-4-21)38-11-9-37(10-12-38)17-20-7-8-30-27(13-20)36-29-34-23-6-5-22(14-25(23)35-29)24-15-26(33-18-32-24)31-16-19-1-2-19/h5-8,13-15,18-19,21H,1-4,9-12,16-17H2,(H,31,32,33)(H2,30,34,35,36)","XIQLNKPYAGMDQG-UHFFFAOYSA-N",null,3]
["D16058",18309,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478605","O=C(C1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cc(OCC4CC4)ncn3)c2)CC1","InChI=1S/C29H32N8O2/c38-28(21-3-4-21)37-11-9-36(10-12-37)16-20-7-8-30-26(13-20)35-29-33-23-6-5-22(14-25(23)34-29)24-15-27(32-18-31-24)39-17-19-1-2-19/h5-8,13-15,18-19,21H,1-4,9-12,16-17H2,(H2,30,33,34,35)","OYIVOITWOSRFOF-UHFFFAOYSA-N",null,2.9]
["D16059",15043,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478596","O=C(C1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cc(ncn3)C3CC3)c2)CC1","InChI=1S/C28H30N8O/c37-27(20-3-4-20)36-11-9-35(10-12-36)16-18-7-8-29-26(13-18)34-28-32-22-6-5-21(14-25(22)33-28)24-15-23(19-1-2-19)30-17-31-24/h5-8,13-15,17,19-20H,1-4,9-12,16H2,(H2,29,32,33,34)","GIUAXOKBEIJJLA-UHFFFAOYSA-N",null,9.4]
["D16060",17752,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478789","O=C(C1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cc(ncn3)N3CCCCC3)c2)CC1","InChI=1S/C30H35N9O/c40-29(22-4-5-22)39-14-12-37(13-15-39)19-21-8-9-31-27(16-21)36-30-34-24-7-6-23(17-26(24)35-30)25-18-28(33-20-32-25)38-10-2-1-3-11-38/h6-9,16-18,20,22H,1-5,10-15,19H2,(H2,31,34,35,36)","MEJLAGMGAFQELF-UHFFFAOYSA-N",null,2.1]
["D16061",15903,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478508","O=C(C1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ccn(CC4CC4)c(=O)c3)c2)CC1","InChI=1S/C30H33N7O2/c38-28-17-24(8-10-37(28)19-20-1-2-20)23-5-6-25-26(16-23)33-30(32-25)34-27-15-21(7-9-31-27)18-35-11-13-36(14-12-35)29(39)22-3-4-22/h5-10,15-17,20,22H,1-4,11-14,18-19H2,(H2,31,32,33,34)","DUBQKXOYZJDHKK-UHFFFAOYSA-N",null,66.8]
["D16062",14753,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478560","O=C(C1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ccnc(OCC4CC4)n3)c2)CC1","InChI=1S/C29H32N8O2/c38-27(21-3-4-21)37-13-11-36(12-14-37)17-20-7-9-30-26(15-20)35-28-32-24-6-5-22(16-25(24)33-28)23-8-10-31-29(34-23)39-18-19-1-2-19/h5-10,15-16,19,21H,1-4,11-14,17-18H2,(H2,30,32,33,35)","ZHWGPVDTPFXMOO-UHFFFAOYSA-N",null,5.19]
["D16063",15334,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478756","O=C(C1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ccnc(c3)N3CCOCC3)c2)CC1","InChI=1S/C30H34N8O2/c39-29(22-1-2-22)38-11-9-36(10-12-38)20-21-5-7-31-27(17-21)35-30-33-25-4-3-23(18-26(25)34-30)24-6-8-32-28(19-24)37-13-15-40-16-14-37/h3-8,17-19,22H,1-2,9-16,20H2,(H2,31,33,34,35)","VTQIYOTUUOQQJP-UHFFFAOYSA-N",null,19]
["D16064",16551,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478683","O=C(C1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ccncc3C#N)c2)CC1","InChI=1S/C27H26N8O/c28-15-21-16-29-7-6-22(21)20-3-4-23-24(14-20)32-27(31-23)33-25-13-18(5-8-30-25)17-34-9-11-35(12-10-34)26(36)19-1-2-19/h3-8,13-14,16,19H,1-2,9-12,17H2,(H2,30,31,32,33)","MNLVJLMASHTPHV-UHFFFAOYSA-N",null,360]
["D16065",15397,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478368","O=C(C1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ccncn3)c2)CC1","InChI=1S/C25H26N8O/c34-24(18-1-2-18)33-11-9-32(10-12-33)15-17-5-8-27-23(13-17)31-25-29-21-4-3-19(14-22(21)30-25)20-6-7-26-16-28-20/h3-8,13-14,16,18H,1-2,9-12,15H2,(H2,27,29,30,31)","YZPKIUFPTHZFPV-UHFFFAOYSA-N",null,22.1]
["D16066",17251,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478517","O=C(C1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cnc(nc3)C3CC3)c2)CC1","InChI=1S/C28H30N8O/c37-27(20-3-4-20)36-11-9-35(10-12-36)17-18-7-8-29-25(13-18)34-28-32-23-6-5-21(14-24(23)33-28)22-15-30-26(31-16-22)19-1-2-19/h5-8,13-16,19-20H,1-4,9-12,17H2,(H2,29,32,33,34)","ADVHGYZCBIGFMH-UHFFFAOYSA-N",null,2240]
["D16067",16391,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478512","O=C(C1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cncnc3)c2)CC1","InChI=1S/C25H26N8O/c34-24(18-1-2-18)33-9-7-32(8-10-33)15-17-5-6-28-23(11-17)31-25-29-21-4-3-19(12-22(21)30-25)20-13-26-16-27-14-20/h3-6,11-14,16,18H,1-2,7-10,15H2,(H2,28,29,30,31)","QREXGDYVXPMPJC-UHFFFAOYSA-N",null,205]
["D16068",14756,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478492","O=C(C1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cnn(CC4CC4)c3)c2)CC1","InChI=1S/C28H32N8O/c37-27(21-3-4-21)35-11-9-34(10-12-35)16-20-7-8-29-26(13-20)33-28-31-24-6-5-22(14-25(24)32-28)23-15-30-36(18-23)17-19-1-2-19/h5-8,13-15,18-19,21H,1-4,9-12,16-17H2,(H2,29,31,32,33)","JWZRFPWWTSGSNK-UHFFFAOYSA-N",null,5.35]
["D16069",14862,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478553","O=C(C1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cnn(CC4CCC4)c3)c2)CC1","InChI=1S/C29H34N8O/c38-28(22-4-5-22)36-12-10-35(11-13-36)17-21-8-9-30-27(14-21)34-29-32-25-7-6-23(15-26(25)33-29)24-16-31-37(19-24)18-20-2-1-3-20/h6-9,14-16,19-20,22H,1-5,10-13,17-18H2,(H2,30,32,33,34)","DEPULWTXFIZZHE-UHFFFAOYSA-N",null,6.71]
["D16070",16372,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478364","O=C(C1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3nc(Cc4ccccc4)no3)c2)CC1","InChI=1S/C30H30N8O2/c39-29(22-6-7-22)38-14-12-37(13-15-38)19-21-10-11-31-26(17-21)35-30-32-24-9-8-23(18-25(24)33-30)28-34-27(36-40-28)16-20-4-2-1-3-5-20/h1-5,8-11,17-18,22H,6-7,12-16,19H2,(H2,31,32,33,35)","BBJKWMWDZPNRCH-UHFFFAOYSA-N",null,193]
["D16071",16788,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478506","O=C(C1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3nc(c[nH]3)C3CC3)c2)CC1","InChI=1S/C27H30N8O/c36-26(19-3-4-19)35-11-9-34(10-12-35)16-17-7-8-28-24(13-17)33-27-31-21-6-5-20(14-22(21)32-27)25-29-15-23(30-25)18-1-2-18/h5-8,13-15,18-19H,1-4,9-12,16H2,(H,29,30)(H2,28,31,32,33)","QKFXADPFOUNZGJ-UHFFFAOYSA-N",null,696]
["D16072",15720,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478357","O=C(C1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3nc(no3)C3CC3)c2)CC1","InChI=1S/C26H28N8O2/c35-25(18-3-4-18)34-11-9-33(10-12-34)15-16-7-8-27-22(13-16)30-26-28-20-6-5-19(14-21(20)29-26)24-31-23(32-36-24)17-1-2-17/h5-8,13-14,17-18H,1-4,9-12,15H2,(H2,27,28,29,30)","CSZJNJFWPSXZIK-UHFFFAOYSA-N",null,38.2]
["D16073",16598,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478362","O=C(C1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3nc(no3)C3CCCC3)c2)CC1","InChI=1S/C28H32N8O2/c37-27(20-5-6-20)36-13-11-35(12-14-36)17-18-9-10-29-24(15-18)32-28-30-22-8-7-21(16-23(22)31-28)26-33-25(34-38-26)19-3-1-2-4-19/h7-10,15-16,19-20H,1-6,11-14,17H2,(H2,29,30,31,32)","OLFKCIXHAJFYCA-UHFFFAOYSA-N",null,414]
["D16074",16455,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478504","O=C(C1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ncc[nH]3)c2)CC1","InChI=1S/C24H26N8O/c33-23(17-1-2-17)32-11-9-31(10-12-32)15-16-5-6-25-21(13-16)30-24-28-19-4-3-18(14-20(19)29-24)22-26-7-8-27-22/h3-8,13-14,17H,1-2,9-12,15H2,(H,26,27)(H2,25,28,29,30)","CVZNSOVWLVWDAF-UHFFFAOYSA-N",null,262]
["D16075",16555,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478897","O=C(C1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ncccn3)c2)CC1","InChI=1S/C25H26N8O/c34-24(18-2-3-18)33-12-10-32(11-13-33)16-17-6-9-26-22(14-17)31-25-29-20-5-4-19(15-21(20)30-25)23-27-7-1-8-28-23/h1,4-9,14-15,18H,2-3,10-13,16H2,(H2,26,29,30,31)","NGTLOVKHVQWXTL-UHFFFAOYSA-N",null,364]
["D16076",16285,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478903","O=C(C1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ncnc4COCc34)c2)CC1","InChI=1S/C27H28N8O2/c36-26(18-1-2-18)35-9-7-34(8-10-35)13-17-5-6-28-24(11-17)33-27-31-21-4-3-19(12-22(21)32-27)25-20-14-37-15-23(20)29-16-30-25/h3-6,11-12,16,18H,1-2,7-10,13-15H2,(H2,28,31,32,33)","RIZJLXRIWZLYGB-UHFFFAOYSA-N",null,136]
["D16077",14893,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478868","O=C(C1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ncnc4ccoc34)c2)CC1","InChI=1S/C27H26N8O2/c36-26(18-1-2-18)35-10-8-34(9-11-35)15-17-5-7-28-23(13-17)33-27-31-20-4-3-19(14-22(20)32-27)24-25-21(6-12-37-25)29-16-30-24/h3-7,12-14,16,18H,1-2,8-11,15H2,(H2,28,31,32,33)","FRCSCKSLQGAAFJ-UHFFFAOYSA-N",null,7.12]
["D16078",3628,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50346073","O=C(C1CCC1)N1CCCC2(CCCCC2)C1","InChI=1S/C15H25NO/c17-14(13-6-4-7-13)16-11-5-10-15(12-16)8-2-1-3-9-15/h13H,1-12H2","FKNJDTXOOMHZMJ-UHFFFAOYSA-N",null,">30000"]
["D16079",15968,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478509","O=C(C1CCC1)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ccn(CC4CC4)c(=O)c3)c2)CC1","InChI=1S/C31H35N7O2/c39-29-18-25(9-11-38(29)20-21-4-5-21)24-6-7-26-27(17-24)34-31(33-26)35-28-16-22(8-10-32-28)19-36-12-14-37(15-13-36)30(40)23-2-1-3-23/h6-11,16-18,21,23H,1-5,12-15,19-20H2,(H2,32,33,34,35)","MBLPZRPULCUWLV-UHFFFAOYSA-N",null,85.8]
["D16080",15047,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478558","O=C(C1CCC1)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ccnc(OCC4CC4)n3)c2)CC1","InChI=1S/C30H34N8O2/c39-28(22-2-1-3-22)38-14-12-37(13-15-38)18-21-8-10-31-27(16-21)36-29-33-25-7-6-23(17-26(25)34-29)24-9-11-32-30(35-24)40-19-20-4-5-20/h6-11,16-17,20,22H,1-5,12-15,18-19H2,(H2,31,33,34,36)","MCWJLZXCPDXKQF-UHFFFAOYSA-N",null,9.54]
["D16081",15868,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478358","O=C(C1CCC1)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3nc(no3)C3CC3)c2)CC1","InChI=1S/C27H30N8O2/c36-26(19-2-1-3-19)35-12-10-34(11-13-35)16-17-8-9-28-23(14-17)31-27-29-21-7-6-20(15-22(21)30-27)25-32-24(33-37-25)18-4-5-18/h6-9,14-15,18-19H,1-5,10-13,16H2,(H2,28,29,30,31)","OONIUHCATHRAFG-UHFFFAOYSA-N",null,61.3]
["D16082",31795,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43592","O=C(C1CCCN(C1)S(=O)(=O)c1cccc2cccnc12)N1CCc2ccccc12","InChI=1S/C23H23N3O3S/c27-23(26-15-12-17-6-1-2-10-20(17)26)19-9-5-14-25(16-19)30(28,29)21-11-3-7-18-8-4-13-24-22(18)21/h1-4,6-8,10-11,13,19H,5,9,12,14-16H2","NQCNPHVIVUPHRU-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D16083",4273,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66267","O=C(C1CCN(CC1)S(=O)(=O)c1cccs1)N1CCN(CC1)C(=O)c1ccco1","InChI=1S/C19H23N3O5S2/c23-18(20-9-11-21(12-10-20)19(24)16-3-1-13-27-16)15-5-7-22(8-6-15)29(25,26)17-4-2-14-28-17/h1-4,13-15H,5-12H2","MDFADVWUTUMJKT-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16084",15773,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277870","O=C(C1COC1)N1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C31H34N8O4/c32-14-22-13-21(1-6-28(22)43-27-7-8-39(15-27)30(40)23-16-41-17-23)29-33-20-34-31(36-29)35-24-2-4-25(5-3-24)37-9-11-38(12-10-37)26-18-42-19-26/h1-6,13,20,23,26-27H,7-12,15-19H2,(H,33,34,35,36)/t27-/m1/s1","OQBSSSJJNPKEEP-HHHXNRCGSA-N",null,45]
["D16085",15032,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276834","O=C(CC#N)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C32H30N6O3/c33-11-7-31(39)38-13-9-26(10-14-38)41-30-6-3-23(19-24(30)21-34)27-8-12-35-32-28(27)20-29(36-32)22-1-4-25(5-2-22)37-15-17-40-18-16-37/h1-6,8,12,19-20,26H,7,9-10,13-18H2,(H,35,36)","KSKYERIXGVLRHH-UHFFFAOYSA-N",null,9.25]
["D16086",15023,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277822","O=C(CC#N)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C31H33N9O3/c32-10-7-29(41)40-11-8-27(9-12-40)43-28-6-1-22(17-23(28)18-33)30-34-21-35-31(37-30)36-24-2-4-25(5-3-24)38-13-15-39(16-14-38)26-19-42-20-26/h1-6,17,21,26-27H,7-9,11-16,19-20H2,(H,34,35,36,37)","VLTKARPPPIYEIY-UHFFFAOYSA-N",null,9]
["D16087",15557,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276871","O=C(CC#N)N1CCN(CC1)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C32H30N6O3/c33-11-7-31(39)38-15-13-37(14-16-38)25-4-1-22(2-5-25)29-20-28-27(8-12-35-32(28)36-29)23-3-6-30(24(19-23)21-34)41-26-9-17-40-18-10-26/h1-6,8,12,19-20,26H,7,9-10,13-18H2,(H,35,36)","MOJCQDXFXGBVOX-UHFFFAOYSA-N",null,1.46]
["D16088",15847,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276838","O=C(CC#N)N1CC[C@@H](C1)Oc1ccc(cc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C31H28N6O3/c32-10-7-30(38)37-12-9-25(20-37)40-29-6-3-22(17-23(29)19-33)26-8-11-34-31-27(26)18-28(35-31)21-1-4-24(5-2-21)36-13-15-39-16-14-36/h1-6,8,11,17-18,25H,7,9,12-16,20H2,(H,34,35)/t25-/m0/s1","WMAOLQILCBAPMK-VWLOTQADSA-N",null,56.8]
["D16089",14675,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276830","O=C(CC#N)N1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C31H28N6O3/c32-10-7-30(38)37-12-9-25(20-37)40-29-6-3-22(17-23(29)19-33)26-8-11-34-31-27(26)18-28(35-31)21-1-4-24(5-2-21)36-13-15-39-16-14-36/h1-6,8,11,17-18,25H,7,9,12-16,20H2,(H,34,35)/t25-/m1/s1","WMAOLQILCBAPMK-RUZDIDTESA-N",null,4.32,{"$nulls":4},7]
["D16090",14689,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276926","O=C(CC#N)N1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ccnc2[nH]c(nc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C30H27N7O3/c31-10-7-27(38)37-12-9-24(19-37)40-26-6-3-21(17-22(26)18-32)25-8-11-33-30-28(25)34-29(35-30)20-1-4-23(5-2-20)36-13-15-39-16-14-36/h1-6,8,11,17,24H,7,9,12-16,19H2,(H,33,34,35)/t24-/m1/s1","ZWAOQFJBLRYVDG-XMMPIXPASA-N",null,4.59,{"$nulls":4},7]
["D16091",14884,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277868","O=C(CC#N)N1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C30H31N9O3/c31-9-7-28(40)39-10-8-26(17-39)42-27-6-1-21(15-22(27)16-32)29-33-20-34-30(36-29)35-23-2-4-24(5-3-23)37-11-13-38(14-12-37)25-18-41-19-25/h1-6,15,20,25-26H,7-8,10-14,17-19H2,(H,33,34,35,36)/t26-/m1/s1","ZNZVSOLMPZIAHB-AREMUKBSSA-N",null,7]
["D16092",17764,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276908","O=C(CC#N)N1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C30H27N7O3/c31-9-7-28(38)37-10-8-24(18-37)40-27-6-3-21(15-22(27)17-32)29-25-16-26(35-30(25)34-19-33-29)20-1-4-23(5-2-20)36-11-13-39-14-12-36/h1-6,15-16,19,24H,7-8,10-14,18H2,(H,33,34,35)/t24-/m1/s1","OXGWASRCNSKLEZ-XMMPIXPASA-N",null,2.26]
["D16093",15340,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278272","O=C(CC#N)Nc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C26H25N9O2/c27-8-7-24(36)32-23-6-1-18(13-19(23)14-28)25-29-17-30-26(33-25)31-20-2-4-21(5-3-20)34-9-11-35(12-10-34)22-15-37-16-22/h1-6,13,17,22H,7,9-12,15-16H2,(H,32,36)(H,29,30,31,33)","HUMZNAWKSVYZQT-UHFFFAOYSA-N",null,19]
["D16094",25949,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481480","O=C(CC(c1ccccc1)c1ccccc1)N1CCN(CC1)C(C1CCNCC1)c1ccccc1","InChI=1S/C31H37N3O/c35-30(24-29(25-10-4-1-5-11-25)26-12-6-2-7-13-26)33-20-22-34(23-21-33)31(27-14-8-3-9-15-27)28-16-18-32-19-17-28/h1-15,28-29,31-32H,16-24H2","CNSYGZOEIHDOQH-UHFFFAOYSA-N",null,60]
["D16095",25954,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50461289","O=C(CC(c1ccccc1)c1ccccc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1","InChI=1S/C32H32N2O/c35-31(25-30(26-13-5-1-6-14-26)27-15-7-2-8-16-27)33-21-23-34(24-22-33)32(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,30,32H,21-25H2","VCPMZDWBEWTGNW-UHFFFAOYSA-N",null,110]
["D16096",26003,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481489","O=C(CC(c1ccccc1)c1ccccc1)N1CCN(CC2CCCCN2)CC1","InChI=1S/C25H33N3O/c29-25(28-17-15-27(16-18-28)20-23-13-7-8-14-26-23)19-24(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,23-24,26H,7-8,13-20H2","DANVVPWDWWKCMM-UHFFFAOYSA-N",null,2700]
["D16097",26002,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481478","O=C(CC(c1ccccc1)c1ccccc1)N1CCN(CC2CCNCC2)CC1","InChI=1S/C25H33N3O/c29-25(28-17-15-27(16-18-28)20-21-11-13-26-14-12-21)19-24(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-10,21,24,26H,11-20H2","SMXYGIYCXXQYLV-UHFFFAOYSA-N",null,2500]
["D16098",15670,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478367","O=C(CC1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3ccncn3)c2)CC1","InChI=1S/C26H28N8O/c35-25(14-18-1-2-18)34-11-9-33(10-12-34)16-19-5-8-28-24(13-19)32-26-30-22-4-3-20(15-23(22)31-26)21-6-7-27-17-29-21/h3-8,13,15,17-18H,1-2,9-12,14,16H2,(H2,28,30,31,32)","FSKSHWCPFUANSI-UHFFFAOYSA-N",null,33.4]
["D16099",16579,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478511","O=C(CC1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cncnc3)c2)CC1","InChI=1S/C26H28N8O/c35-25(12-18-1-2-18)34-9-7-33(8-10-34)16-19-5-6-29-24(11-19)32-26-30-22-4-3-20(13-23(22)31-26)21-14-27-17-28-15-21/h3-6,11,13-15,17-18H,1-2,7-10,12,16H2,(H2,29,30,31,32)","AFMPSNPDPJCRCW-UHFFFAOYSA-N",null,397]
["D16100",15846,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM478355","O=C(CC1CC1)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3nc(no3)C3CC3)c2)CC1","InChI=1S/C27H30N8O2/c36-24(14-17-1-2-17)35-11-9-34(10-12-35)16-18-7-8-28-23(13-18)31-27-29-21-6-5-20(15-22(21)30-27)26-32-25(33-37-26)19-3-4-19/h5-8,13,15,17,19H,1-4,9-12,14,16H2,(H2,28,29,30,31)","YGSFWQCYKFNLNJ-UHFFFAOYSA-N",null,56.5]
["D16101",11869,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43019","O=C(CC1CCCC1)Nc1ccc2CCCc2c1","InChI=1S/C16H21NO/c18-16(10-12-4-1-2-5-12)17-15-9-8-13-6-3-7-14(13)11-15/h8-9,11-12H,1-7,10H2,(H,17,18)","OXPLLFKSCODFPH-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D16102",12338,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87299","O=C(CC1CS(=O)(=O)CC1CC(=O)Nc1ccc2OCCOc2c1)Nc1ccc2OCCOc2c1","InChI=1S/C24H26N2O8S/c27-23(25-17-1-3-19-21(11-17)33-7-5-31-19)9-15-13-35(29,30)14-16(15)10-24(28)26-18-2-4-20-22(12-18)34-8-6-32-20/h1-4,11-12,15-16H,5-10,13-14H2,(H,25,27)(H,26,28)","BBXAJBDNBDEGRS-UHFFFAOYSA-N",null,">35879"]
["D16103",4200,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67083","O=C(CCC(=O)c1cccs1)OCC(=O)c1ccccc1","InChI=1S/C16H14O4S/c17-13(15-7-4-10-21-15)8-9-16(19)20-11-14(18)12-5-2-1-3-6-12/h1-7,10H,8-9,11H2","PRUGYABZNYFQLC-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16104",26052,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1/alpha-1B/alpha-2/delta-1","Rattus norvegicus","BDBM50481866","O=C(CCC(c1ccccc1)c1ccccc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1","InChI=1S/C33H34N2O/c36-32(22-21-31(27-13-5-1-6-14-27)28-15-7-2-8-16-28)34-23-25-35(26-24-34)33(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-20,31,33H,21-26H2","RCOIEEVFTMWYLS-UHFFFAOYSA-N",null,23000]
["D16105",12289,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM6508","O=C(CCC1CCCC1)Nc1ccc(cc1)C(=O)NCc1cccnc1","InChI=1S/C21H25N3O2/c25-20(12-7-16-4-1-2-5-16)24-19-10-8-18(9-11-19)21(26)23-15-17-6-3-13-22-14-17/h3,6,8-11,13-14,16H,1-2,4-5,7,12,15H2,(H,23,26)(H,24,25)","VSQUNIFZLZOAQW-UHFFFAOYSA-N",null,34158]
["D16106",12023,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43154","O=C(CCC1CCCN(C1)C(=O)C1=CCCCC1)N1CCN(CC1)c1ccccn1","InChI=1S/C24H34N4O2/c29-23(27-17-15-26(16-18-27)22-10-4-5-13-25-22)12-11-20-7-6-14-28(19-20)24(30)21-8-2-1-3-9-21/h4-5,8,10,13,20H,1-3,6-7,9,11-12,14-19H2","YEZHJFKPYKQBHQ-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D16107",26055,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1/alpha-1B/alpha-2/delta-1","Rattus norvegicus","BDBM50481856","O=C(CCCC(c1ccccc1)c1ccccc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1","InChI=1S/C34H36N2O/c37-33(23-13-22-32(28-14-5-1-6-15-28)29-16-7-2-8-17-29)35-24-26-36(27-25-35)34(30-18-9-3-10-19-30)31-20-11-4-12-21-31/h1-12,14-21,32,34H,13,22-27H2","NCPOSTPOYGDVLG-UHFFFAOYSA-N",null,">50000"]
["D16108",26040,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1/alpha-1B/alpha-2/delta-1","Rattus norvegicus","BDBM50481868","O=C(CCCCC(c1ccccc1)c1ccccc1)N1CCN(CC1)C(=O)\\C=C\\c1cccc2OCOc12","InChI=1S/C32H34N2O4/c35-30(17-8-7-15-28(25-10-3-1-4-11-25)26-12-5-2-6-13-26)33-20-22-34(23-21-33)31(36)19-18-27-14-9-16-29-32(27)38-24-37-29/h1-6,9-14,16,18-19,28H,7-8,15,17,20-24H2/b19-18+","OSSCZDSNGZNJLN-VHEBQXMUSA-N",null,130]
["D16109",26054,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1/alpha-1B/alpha-2/delta-1","Rattus norvegicus","BDBM50481857","O=C(CCCCC(c1ccccc1)c1ccccc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1","InChI=1S/C35H38N2O/c38-34(24-14-13-23-33(29-15-5-1-6-16-29)30-17-7-2-8-18-30)36-25-27-37(28-26-36)35(31-19-9-3-10-20-31)32-21-11-4-12-22-32/h1-12,15-22,33,35H,13-14,23-28H2","DNMNLRHDLUAUHW-UHFFFAOYSA-N",null,50000]
["D16110",26044,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1/alpha-1B/alpha-2/delta-1","Rattus norvegicus","BDBM50481863","O=C(CCCCC(c1ccccc1)c1ccccc1)N1CCN(C\\C=C\\c2cccc3OCOc23)CC1","InChI=1S/C32H36N2O3/c35-31(19-8-7-17-29(26-11-3-1-4-12-26)27-13-5-2-6-14-27)34-23-21-33(22-24-34)20-10-16-28-15-9-18-30-32(28)37-25-36-30/h1-6,9-16,18,29H,7-8,17,19-25H2/b16-10+","LGXAWLJVAUTPNN-MHWRWJLKSA-N",null,190]
["D16111",26032,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1/alpha-1B/alpha-2/delta-1","Rattus norvegicus","BDBM50481859","O=C(CCCCC(c1ccccc1)c1ccccc1)N1CCN(C\\C=C\\c2ccccc2)CC1","InChI=1S/C31H36N2O/c34-31(33-25-23-32(24-26-33)22-12-15-27-13-4-1-5-14-27)21-11-10-20-30(28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-9,12-19,30H,10-11,20-26H2/b15-12+","YBINNPIWNMGBFX-NTCAYCPXSA-N",null,50]
["D16112",4366,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66301","O=C(CCCCCn1c(=O)[nH]c2ccsc2c1=O)N1CCN(CC1)C1CCCCC1","InChI=1S/C22H32N4O3S/c27-19(25-14-12-24(13-15-25)17-7-3-1-4-8-17)9-5-2-6-11-26-21(28)20-18(10-16-30-20)23-22(26)29/h10,16-17H,1-9,11-15H2,(H,23,29)","WPCVWCFDQSXVHL-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16113",3923,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66838","O=C(CCCCCn1c(=S)[nH]c2ccsc2c1=O)NC1CCCCC1","InChI=1S/C18H25N3O2S2/c22-15(19-13-7-3-1-4-8-13)9-5-2-6-11-21-17(23)16-14(10-12-25-16)20-18(21)24/h10,12-13H,1-9,11H2,(H,19,22)(H,20,24)","NNTXDGPZMSADNO-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16114",31761,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43563","O=C(CCCSc1nc2ccccc2s1)NCc1ccco1","InChI=1S/C16H16N2O2S2/c19-15(17-11-12-5-3-9-20-12)8-4-10-21-16-18-13-6-1-2-7-14(13)22-16/h1-3,5-7,9H,4,8,10-11H2,(H,17,19)","SDMDXJNBUSHAKB-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D16115",12437,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM34467","O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(cc1)-c1nc2ccccc2o1","InChI=1S/C24H17N3O4/c28-21(13-14-27-23(29)17-5-1-2-6-18(17)24(27)30)25-16-11-9-15(10-12-16)22-26-19-7-3-4-8-20(19)31-22/h1-12H,13-14H2,(H,25,28)","RMMPUMKKUNAADO-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D16116",32196,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43635","O=C(CCc1nnc(Cc2ccc3OCOc3c2)o1)NCc1nc2ccccc2s1","InChI=1S/C21H18N4O4S/c26-18(22-11-21-23-14-3-1-2-4-17(14)30-21)7-8-19-24-25-20(29-19)10-13-5-6-15-16(9-13)28-12-27-15/h1-6,9H,7-8,10-12H2,(H,22,26)","KHMAUIVHFHCFDW-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D16117",26014,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481453","O=C(CN(c1ccccc1)c1ccccc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1","InChI=1S/C31H31N3O/c35-30(25-34(28-17-9-3-10-18-28)29-19-11-4-12-20-29)32-21-23-33(24-22-32)31(26-13-5-1-6-14-26)27-15-7-2-8-16-27/h1-20,31H,21-25H2","DPOJHTYMAOYZKG-UHFFFAOYSA-N",null,6610]
["D16118",4267,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM64937","O=C(CN1C(=O)COc2ccccc12)NCCCN1CCc2ccccc2C1","InChI=1S/C22H25N3O3/c26-21(15-25-19-8-3-4-9-20(19)28-16-22(25)27)23-11-5-12-24-13-10-17-6-1-2-7-18(17)14-24/h1-4,6-9H,5,10-16H2,(H,23,26)","QNQGZBZEMUQMCU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16119",4710,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66639","O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCN(Cc2ccc3OCOc3c2)CC1","InChI=1S/C21H21N3O6S/c25-20(13-24-21(26)16-3-1-2-4-19(16)31(24,27)28)23-9-7-22(8-10-23)12-15-5-6-17-18(11-15)30-14-29-17/h1-6,11H,7-10,12-14H2","REVSDDYZQIVWTQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16120",3960,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66867","O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCc1ccccc1","InChI=1S/C17H16N2O4S/c20-16(18-11-10-13-6-2-1-3-7-13)12-19-17(21)14-8-4-5-9-15(14)24(19,22)23/h1-9H,10-12H2,(H,18,20)","WVTGQGBGTXTREV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16121",25970,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481449","O=C(CN1CCN(CC1)C(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1","InChI=1S/C31H31N3O/c35-30(34(28-17-9-3-10-18-28)29-19-11-4-12-20-29)25-32-21-23-33(24-22-32)31(26-13-5-1-6-14-26)27-15-7-2-8-16-27/h1-20,31H,21-25H2","QXNYWQVYZYCACA-UHFFFAOYSA-N",null,260]
["D16122",32169,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43609","O=C(CN1CCNCC1)Nc1ccc(Oc2ccccc2)cc1","InChI=1S/C18H21N3O2/c22-18(14-21-12-10-19-11-13-21)20-15-6-8-17(9-7-15)23-16-4-2-1-3-5-16/h1-9,19H,10-14H2,(H,20,22)","PGPASFGJCYIOTC-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D16123",16027,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245996","O=C(CN1CCOCC1)Nc1cc(Nc2nccc(n2)-c2cnc(N3CCC4(COC4)C3)c(c2)C#N)ccn1","InChI=1S/C27H29N9O3/c28-13-19-11-20(14-31-25(19)36-6-3-27(16-36)17-39-18-27)22-2-5-30-26(33-22)32-21-1-4-29-23(12-21)34-24(37)15-35-7-9-38-10-8-35/h1-2,4-5,11-12,14H,3,6-10,15-18H2,(H2,29,30,32,33,34,37)","DLZCQEKUVFUKBS-UHFFFAOYSA-N",null,"<100",{"$nulls":4},7.5]
["D16124",16016,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246091","O=C(CN1CCOCC1)Nc1ccc(Nc2nccc(n2)-c2ccc(N3CCC4(COC4)C3)c(n2)C#N)cn1","InChI=1S/C27H29N9O3/c28-13-22-23(36-8-6-27(16-36)17-39-18-27)3-2-20(32-22)21-5-7-29-26(33-21)31-19-1-4-24(30-14-19)34-25(37)15-35-9-11-38-12-10-35/h1-5,7,14H,6,8-12,15-18H2,(H,29,31,33)(H,30,34,37)","URUVTYNFQAZEMS-UHFFFAOYSA-N",null,"<100",{"$nulls":4},7.5]
["D16125",16015,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246090","O=C(CN1CCOCC1)Nc1ccc(Nc2nccc(n2)-c2ccc(N3CCCOCC3)c(n2)C#N)cn1","InChI=1S/C26H29N9O3/c27-16-22-23(35-8-1-12-37-15-11-35)4-3-20(31-22)21-6-7-28-26(32-21)30-19-2-5-24(29-17-19)33-25(36)18-34-9-13-38-14-10-34/h2-7,17H,1,8-15,18H2,(H,28,30,32)(H,29,33,36)","XEISIPUKJAGZSP-UHFFFAOYSA-N",null,"<100",{"$nulls":4},7.5]
["D16126",16060,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245988","O=C(CN1CCOCC1)Nc1ccc(Nc2nccc(n2)-c2cnc(N3CCCOCC3)c(c2)C#N)cn1","InChI=1S/C26H29N9O3/c27-15-19-14-20(16-30-25(19)35-6-1-10-37-13-9-35)22-4-5-28-26(32-22)31-21-2-3-23(29-17-21)33-24(36)18-34-7-11-38-12-8-34/h2-5,14,16-17H,1,6-13,18H2,(H,28,31,32)(H,29,33,36)","KZPZBKPNLYDFDJ-UHFFFAOYSA-N",null,"<100",{"$nulls":4},7.5]
["D16127",16443,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397652","O=C(CNc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1)N1CCC1","InChI=1S/C20H20N6O2/c21-9-15-5-4-14(8-16(15)23-12-19(27)26-6-1-7-26)17-10-24-18(11-22-17)25-20(28)13-2-3-13/h4-5,8,10-11,13,23H,1-3,6-7,12H2,(H,24,25,28)","ACRKZZNEKGTJKN-UHFFFAOYSA-N",null,251]
["D16128",15808,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397756","O=C(CNc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1)N1CCCC1","InChI=1S/C21H22N6O2/c22-10-16-6-5-15(9-17(16)24-13-20(28)27-7-1-2-8-27)18-11-25-19(12-23-18)26-21(29)14-3-4-14/h5-6,9,11-12,14,24H,1-4,7-8,13H2,(H,25,26,29)","HDCMTUGSNIUYLM-UHFFFAOYSA-N",null,50.1]
["D16129",17421,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397735","O=C(CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)N1CC2(COC2)C1","InChI=1S/C21H21N7O3/c22-4-16-15(25-8-19(29)28-9-21(10-28)11-31-12-21)3-14(5-23-16)17-6-26-18(7-24-17)27-20(30)13-1-2-13/h3,5-7,13,25H,1-2,8-12H2,(H,26,27,30)","XLCZKZGASSQARV-UHFFFAOYSA-N",null,3981]
["D16130",16445,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397733","O=C(CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)N1CCC(C1)C#N","InChI=1S/C21H20N8O2/c22-6-13-3-4-29(12-13)20(30)11-26-16-5-15(8-24-17(16)7-23)18-9-27-19(10-25-18)28-21(31)14-1-2-14/h5,8-10,13-14,26H,1-4,11-12H2,(H,27,28,31)","XAEAHORCRCZLKN-UHFFFAOYSA-N",null,251]
["D16131",15645,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397676","O=C(CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)N1CCC[C@@H]1C#N","InChI=1S/C21H20N8O2/c22-7-15-2-1-5-29(15)20(30)12-26-16-6-14(9-24-17(16)8-23)18-10-27-19(11-25-18)28-21(31)13-3-4-13/h6,9-11,13,15,26H,1-5,12H2,(H,27,28,31)/t15-/m1/s1","CQBBOIUXWUURBR-OAHLLOKOSA-N",null,31.6]
["D16132",15878,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397694","O=C(CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)N1CCOCC1C#N","InChI=1S/C21H20N8O3/c22-6-15-12-32-4-3-29(15)20(30)11-26-16-5-14(8-24-17(16)7-23)18-9-27-19(10-25-18)28-21(31)13-1-2-13/h5,8-10,13,15,26H,1-4,11-12H2,(H,27,28,31)","DSJCPHUINICINO-UHFFFAOYSA-N",null,63.1]
["D16133",16117,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397771","O=C(CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)N1CCS(=O)(=O)C1","InChI=1S/C19H19N7O4S/c20-6-15-14(23-10-18(27)26-3-4-31(29,30)11-26)5-13(7-21-15)16-8-24-17(9-22-16)25-19(28)12-1-2-12/h5,7-9,12,23H,1-4,10-11H2,(H,24,25,28)","NPHPNDWEMCRQOA-UHFFFAOYSA-N",null,100]
["D16134",11810,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87355","O=C(COC(=O)c1ccc[nH]c1=O)Nc1ccc(cc1)N1CCCCC1","InChI=1S/C19H21N3O4/c23-17(13-26-19(25)16-5-4-10-20-18(16)24)21-14-6-8-15(9-7-14)22-11-2-1-3-12-22/h4-10H,1-3,11-13H2,(H,20,24)(H,21,23)","VBYQESZTNWDYIO-UHFFFAOYSA-N",null,2899]
["D16135",11967,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43100","O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)NCCc1ccccc1","InChI=1S/C24H21NO4/c26-22(25-16-15-18-9-3-1-4-10-18)17-29-24(28)21-14-8-7-13-20(21)23(27)19-11-5-2-6-12-19/h1-14H,15-17H2,(H,25,26)","WBSVEJJIMBNBKZ-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D16136",32048,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM42690","O=C(COC(=O)c1n[nH]c2ccccc12)Nc1ccc(cc1)S(=O)(=O)N1CCCC1","InChI=1S/C20H20N4O5S/c25-18(13-29-20(26)19-16-5-1-2-6-17(16)22-23-19)21-14-7-9-15(10-8-14)30(27,28)24-11-3-4-12-24/h1-2,5-10H,3-4,11-13H2,(H,21,25)(H,22,23)","MFFBAVUXCAMGJT-UHFFFAOYSA-N",null,">55700"]
["D16137",11924,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43070","O=C(COc1ccc2ccccc2c1)NNC(=O)Cc1ccccc1","InChI=1S/C20H18N2O3/c23-19(12-15-6-2-1-3-7-15)21-22-20(24)14-25-18-11-10-16-8-4-5-9-17(16)13-18/h1-11,13H,12,14H2,(H,21,23)(H,22,24)","CNHXBCYDTVXNPU-UHFFFAOYSA-N",{"$nulls":3},6574]
["D16138",32121,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46412","O=C(COc1ccc2ccccc2c1)Nc1ccncc1","InChI=1S/C17H14N2O2/c20-17(19-15-7-9-18-10-8-15)12-21-16-6-5-13-3-1-2-4-14(13)11-16/h1-11H,12H2,(H,18,19,20)","JMJREVKWFOMUGX-UHFFFAOYSA-N",null,">55700"]
["D16139",11951,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43084","O=C(COc1cccc2C(=O)N(Cc3ccccc3)CCc12)N1CCCc2ccccc12","InChI=1S/C27H26N2O3/c30-26(29-16-7-11-21-10-4-5-13-24(21)29)19-32-25-14-6-12-23-22(25)15-17-28(27(23)31)18-20-8-2-1-3-9-20/h1-6,8-10,12-14H,7,11,15-19H2","SUFDVSLAEGBRCU-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D16140",33,"7dx1_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403037","O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(cs1)-c1ccccn1","InChI=1S/C21H21N3O2S/c25-20(14-26-16-8-2-1-3-9-16)24-13-7-5-11-19(24)21-23-18(15-27-21)17-10-4-6-12-22-17/h1-4,6,8-10,12,15,19H,5,7,11,13-14H2/t19-/m1/s1","BOUYMYAAZCWWFQ-LJQANCHMSA-N",null,4800]
["D16141",3957,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66864","O=C(COc1ccccc1)NN=Cc1cccc2cccnc12","InChI=1S/C18H15N3O2/c22-17(13-23-16-9-2-1-3-10-16)21-20-12-15-7-4-6-14-8-5-11-19-18(14)15/h1-12H,13H2,(H,21,22)","SARWOZAMWPSTJM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16142",11935,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43195","O=C(COc1ccccc1-c1ccccc1)NCc1ccco1","InChI=1S/C19H17NO3/c21-19(20-13-16-9-6-12-22-16)14-23-18-11-5-4-10-17(18)15-7-2-1-3-8-15/h1-12H,13-14H2,(H,20,21)","CMOSQOQFNDDPOI-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D16143",32088,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46376","O=C(CSc1ccc2ccccc2c1)Nc1ccncc1","InChI=1S/C17H14N2OS/c20-17(19-15-7-9-18-10-8-15)12-21-16-6-5-13-3-1-2-4-14(13)11-16/h1-11H,12H2,(H,18,19,20)","YAYIQENNTMAGSX-UHFFFAOYSA-N",null,">55700"]
["D16144",11811,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42968","O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)NCc1ccc2OCOc2c1","InChI=1S/C20H16N6O3S/c27-18(22-10-13-4-5-15-16(9-13)29-12-28-15)11-30-19-7-6-17-23-24-20(26(17)25-19)14-3-1-2-8-21-14/h1-9H,10-12H2,(H,22,27)","CZJAIMJFUTZPQP-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D16145",12033,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43164","O=C(CSc1cccc2cccnc12)NN=Cc1cccnc1","InChI=1S/C17H14N4OS/c22-16(21-20-11-13-4-2-8-18-10-13)12-23-15-7-1-5-14-6-3-9-19-17(14)15/h1-11H,12H2,(H,21,22)","XNMJLYBOAQIMJK-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D16146",11895,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43042","O=C(CSc1nc(ccc1C#N)-c1ccccc1)c1cc2ccccc2oc1=O","InChI=1S/C23H14N2O3S/c24-13-17-10-11-19(15-6-2-1-3-7-15)25-22(17)29-14-20(26)18-12-16-8-4-5-9-21(16)28-23(18)27/h1-12H,14H2","PSHLFTMJJZRDTR-UHFFFAOYSA-N",{"$nulls":3},16350]
["D16147",12350,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42884","O=C(CSc1nc2cccnc2n1Cc1ccccc1)NCc1ccco1","InChI=1S/C20H18N4O2S/c25-18(22-12-16-8-5-11-26-16)14-27-20-23-17-9-4-10-21-19(17)24(20)13-15-6-2-1-3-7-15/h1-11H,12-14H2,(H,22,25)","GNUCOEDJPTVHKP-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D16148",4669,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66609","O=C(CSc1nccc(=O)[nH]1)Nc1ccccc1Sc1ccccc1","InChI=1S/C18H15N3O2S2/c22-16-10-11-19-18(21-16)24-12-17(23)20-14-8-4-5-9-15(14)25-13-6-2-1-3-7-13/h1-11H,12H2,(H,20,23)(H,19,21,22)","XYPYBQRAUKAWNI-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16149",11894,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43041","O=C(CSc1nnc2c3ccccc3c3ccccc3c2n1)Nc1ccccc1","InChI=1S/C23H16N4OS/c28-20(24-15-8-2-1-3-9-15)14-29-23-25-21-18-12-6-4-10-16(18)17-11-5-7-13-19(17)22(21)26-27-23/h1-13H,14H2,(H,24,28)","IEWZULBPMDXTLX-UHFFFAOYSA-N",{"$nulls":3},39140]
["D16150",12435,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42951","O=C(CSc1nnnn1Cc1ccccc1)NCC(=O)c1ccccc1","InChI=1S/C18H17N5O2S/c24-16(15-9-5-2-6-10-15)11-19-17(25)13-26-18-20-21-22-23(18)12-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,19,25)","PYIABIAKSKQJSL-UHFFFAOYSA-N",{"$nulls":3},84700]
["D16151",31760,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM41646","O=C(Cc1c[nH]c2ccccc12)Nc1nc2ccccc2[nH]1","InChI=1S/C17H14N4O/c22-16(9-11-10-18-13-6-2-1-5-12(11)13)21-17-19-14-7-3-4-8-15(14)20-17/h1-8,10,18H,9H2,(H2,19,20,21,22)","ZTYQBGRPXUUDOE-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D16152",31733,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43656","O=C(Cc1c[nH]c2ccccc12)Nc1nnc(s1)C1CC1","InChI=1S/C15H14N4OS/c20-13(17-15-19-18-14(21-15)9-5-6-9)7-10-8-16-12-4-2-1-3-11(10)12/h1-4,8-9,16H,5-7H2,(H,17,19,20)","BVAPHKYHBYRPSS-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D16153",4270,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66265","O=C(Cc1ccc(cc1)-n1cccc1)NC1CCCCC1","InChI=1S/C18H22N2O/c21-18(19-16-6-2-1-3-7-16)14-15-8-10-17(11-9-15)20-12-4-5-13-20/h4-5,8-13,16H,1-3,6-7,14H2,(H,19,21)","ZPIYXDOZJIGANS-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16154",14419,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50463483","O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12","InChI=1S/C26H29N5O2S/c32-24(31-26-30-23(17-34-26)22-16-29-25-21(22)7-2-10-28-25)15-19-4-1-6-20(14-19)33-13-3-5-18-8-11-27-12-9-18/h1-2,4,6-7,10,14,16-18,27H,3,5,8-9,11-13,15H2,(H,28,29)(H,30,31,32)","OKUPZBPYLVKVSU-UHFFFAOYSA-N",">2000"]
["D16155",17645,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50462710","O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1","InChI=1S/C24H28N4O2S/c29-23(28-24-27-22(17-31-24)20-8-12-26-13-9-20)16-19-3-1-5-21(15-19)30-14-2-4-18-6-10-25-11-7-18/h1,3,5,8-9,12-13,15,17-18,25H,2,4,6-7,10-11,14,16H2,(H,27,28,29)","IMDMAPNWXDTADU-UHFFFAOYSA-N",null,">10000"]
["D16156",16904,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50462709","O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1","InChI=1S/C23H27N5O2S/c29-22(27-23-26-21(17-31-23)19-5-7-24-8-6-19)16-18-3-1-4-20(15-18)30-14-2-11-28-12-9-25-10-13-28/h1,3-8,15,17,25H,2,9-14,16H2,(H,26,27,29)","XLMFBNMLEHYJGT-UHFFFAOYSA-N",null,">1000"]
["D16157",3823,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66752","O=C(Cc1ccccc1)N1CCc2[nH]nc(c2C1)-c1ccccc1","InChI=1S/C20H19N3O/c24-19(13-15-7-3-1-4-8-15)23-12-11-18-17(14-23)20(22-21-18)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,21,22)","YLKHKAVDADBPSR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16158",31773,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM40067","O=C(Cc1cccs1)Nc1ccccn1","InChI=1S/C11H10N2OS/c14-11(8-9-4-3-7-15-9)13-10-5-1-2-6-12-10/h1-7H,8H2,(H,12,13,14)","WELHRMTUCZNIGI-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D16159",4249,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66250","O=C(Cc1cn2ccsc2n1)Nc1cccc2cnccc12","InChI=1S/C16H12N4OS/c21-15(8-12-10-20-6-7-22-16(20)18-12)19-14-3-1-2-11-9-17-5-4-13(11)14/h1-7,9-10H,8H2,(H,19,21)","YOJJBMVDKPHKOO-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16160",11938,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43198","O=C(Cc1nc2ccccc2[nH]c1=O)c1ccccc1","InChI=1S/C16H12N2O2/c19-15(11-6-2-1-3-7-11)10-14-16(20)18-13-9-5-4-8-12(13)17-14/h1-9H,10H2,(H,18,20)","KOQHYOQMYFQWPR-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D16161",4247,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66249","O=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCC(=O)N1CCc2ccccc2C1","InChI=1S/C21H19N3O5/c25-18(23-10-9-14-5-1-2-6-15(14)11-23)13-29-19(26)12-24-21(28)17-8-4-3-7-16(17)20(27)22-24/h1-8H,9-13H2,(H,22,27)","NFWWMFJTNZMWJD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16162",361,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81904","O=C(Cn1nnc(n1)-c1cccs1)N1CCc2ccccc2C1","InChI=1S/C16H15N5OS/c22-15(20-8-7-12-4-1-2-5-13(12)10-20)11-21-18-16(17-19-21)14-6-3-9-23-14/h1-6,9H,7-8,10-11H2","TWSRTYYHXLBOCX-UHFFFAOYSA-N",32000]
["D16163",13567,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19247275","O=C(Cn1nnc(n1)-c1cccs1)N1CCc2ccccc2C2","InChI=1S/C16H15N5OS/c22-15(20-8-7-12-4-1-2-5-13(12)10-20)11-21-18-16(17-19-21)14-6-3-9-23-14/h1-6,9H,7-8,10-11H3","TWSRTYYHXLBOCX-UHFFFAOYSA-N",-2043.64959973841,-151137.750754372,33585.5314236043,{"$nulls":3},6.73724754721987]
["D16164",12129,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87256","O=C(N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1)c1ccncc1","InChI=1S/C22H23N3O2/c26-21-18(14-17-6-4-5-9-20(17)24-21)15-25(19-7-2-1-3-8-19)22(27)16-10-12-23-13-11-16/h4-6,9-14,19H,1-3,7-8,15H2,(H,24,26)","JUVPAEJFLLWYII-UHFFFAOYSA-N",null,5341]
["D16165",32332,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396702","O=C(N1CC2(COC2)C1)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1","InChI=1S/C21H22N2O4S/c24-20(22-12-21(13-22)14-27-15-21)17-6-3-7-19(10-17)28(25,26)23-9-8-16-4-1-2-5-18(16)11-23/h1-7,10H,8-9,11-15H2","IEDIEOFBWTXBBC-UHFFFAOYSA-N",null,">30000"]
["D16166",15905,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277969","O=C(N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)c1cc[nH]c1","InChI=1S/C33H35N9O3/c34-18-25-17-23(1-6-30(25)45-29-8-11-42(12-9-29)32(43)24-7-10-35-19-24)31-36-22-37-33(39-31)38-26-2-4-27(5-3-26)40-13-15-41(16-14-40)28-20-44-21-28/h1-7,10,17,19,22,28-29,35H,8-9,11-16,20-21H2,(H,36,37,38,39)","FBBJFTYWROROHG-UHFFFAOYSA-N",null,67]
["D16167",17374,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277968","O=C(N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)c1ccc[nH]1","InChI=1S/C33H35N9O3/c34-19-24-18-23(3-8-30(24)45-28-9-12-42(13-10-28)32(43)29-2-1-11-35-29)31-36-22-37-33(39-31)38-25-4-6-26(7-5-25)40-14-16-41(17-15-40)27-20-44-21-27/h1-8,11,18,22,27-28,35H,9-10,12-17,20-21H2,(H,36,37,38,39)","CVYJPMNKMXJMBQ-UHFFFAOYSA-N",null,3000,{"$nulls":4},7]
["D16168",14735,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277967","O=C(N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)c1ncc[nH]1","InChI=1S/C32H34N10O3/c33-18-23-17-22(1-6-28(23)45-27-7-11-42(12-8-27)31(43)30-34-9-10-35-30)29-36-21-37-32(39-29)38-24-2-4-25(5-3-24)40-13-15-41(16-14-40)26-19-44-20-26/h1-6,9-10,17,21,26-27H,7-8,11-16,19-20H2,(H,34,35)(H,36,37,38,39)","KNKDLUWDRDJTHD-UHFFFAOYSA-N",null,5]
["D16169",16567,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276941","O=C(N1CCCC1)c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C24H24N4O3/c25-15-17-13-16(3-4-22(17)31-18-6-11-30-12-7-18)19-5-8-26-23-20(19)14-21(27-23)24(29)28-9-1-2-10-28/h3-5,8,13-14,18H,1-2,6-7,9-12H2,(H,26,27)","AFZREGWWRXQGGC-UHFFFAOYSA-N",null,383,{"$nulls":4},7]
["D16170",15544,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277008","O=C(N1CCCC1)c1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C29H27N5O3/c30-17-22-15-21(7-8-26(22)37-23-9-13-36-14-10-23)27-24-16-25(33-28(24)32-18-31-27)19-3-5-20(6-4-19)29(35)34-11-1-2-12-34/h3-8,15-16,18,23H,1-2,9-14H2,(H,31,32,33)","CIETZITWMCYAKI-UHFFFAOYSA-N",null,1.33]
["D16171",31701,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43510","O=C(N1CCCC1)c1ccc2Sc3ccccc3C(=O)N(Cc3ccccc3)c2c1","InChI=1S/C25H22N2O2S/c28-24(26-14-6-7-15-26)19-12-13-23-21(16-19)27(17-18-8-2-1-3-9-18)25(29)20-10-4-5-11-22(20)30-23/h1-5,8-13,16H,6-7,14-15,17H2","NKFKDQCQWUTHJC-UHFFFAOYSA-N",null,8427]
["D16172",4564,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66516","O=C(N1CCCN(Cc2nc(no2)-c2ccc3OCOc3c2)CC1)c1ccco1","InChI=1S/C20H20N4O5/c25-20(16-3-1-10-26-16)24-7-2-6-23(8-9-24)12-18-21-19(22-29-18)14-4-5-15-17(11-14)28-13-27-15/h1,3-5,10-11H,2,6-9,12-13H2","NVPMVANJNUCUGG-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16173",32030,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67094","O=C(N1CCN(CC1)C(=O)c1ccc(cc1)-n1c(=S)[nH]c2ccccc2c1=O)c1ccco1","InChI=1S/C24H20N4O4S/c29-21(26-11-13-27(14-12-26)23(31)20-6-3-15-32-20)16-7-9-17(10-8-16)28-22(30)18-4-1-2-5-19(18)25-24(28)33/h1-10,15H,11-14H2,(H,25,33)","BRKSCRGWJWUBID-UHFFFAOYSA-N",null,">55690"]
["D16174",31992,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67096","O=C(N1CCN(CC1)C1CCCCC1)c1ccc(cc1)-n1c(=S)[nH]c2ccccc2c1=O","InChI=1S/C25H28N4O2S/c30-23(28-16-14-27(15-17-28)19-6-2-1-3-7-19)18-10-12-20(13-11-18)29-24(31)21-8-4-5-9-22(21)26-25(29)32/h4-5,8-13,19H,1-3,6-7,14-17H2,(H,26,32)","REWRJMXYIIGPGU-UHFFFAOYSA-N",null,">55690"]
["D16175",4601,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66551","O=C(N1CCN(CC1)S(=O)(=O)c1ccccc1)c1ccccc1","InChI=1S/C17H18N2O3S/c20-17(15-7-3-1-4-8-15)18-11-13-19(14-12-18)23(21,22)16-9-5-2-6-10-16/h1-10H,11-14H2","JHNBMXVLJXBHCM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16176",31991,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67095","O=C(N1CCN(CC1)c1ccccc1)c1ccc(cc1)-n1c(=S)[nH]c2ccccc2c1=O","InChI=1S/C25H22N4O2S/c30-23(28-16-14-27(15-17-28)19-6-2-1-3-7-19)18-10-12-20(13-11-18)29-24(31)21-8-4-5-9-22(21)26-25(29)32/h1-13H,14-17H2,(H,26,32)","KPGWTYKIINZLAT-UHFFFAOYSA-N",null,">55690"]
["D16177",3627,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50339075","O=C(N1CCN(CC1)c1nccs1)C12CC3CC(CC(C3)C1)C2","InChI=1S/C18H25N3OS/c22-16(18-10-13-7-14(11-18)9-15(8-13)12-18)20-2-4-21(5-3-20)17-19-1-6-23-17/h1,6,13-15H,2-5,7-12H2","CXTMBWBHTXAOFX-UHFFFAOYSA-N",null,">30000"]
["D16178",31826,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43502","O=C(N1CCN(CC1)c1ncnc2c3ccccc3[nH]c12)c1ccco1","InChI=1S/C19H17N5O2/c25-19(15-6-3-11-26-15)24-9-7-23(8-10-24)18-17-16(20-12-21-18)13-4-1-2-5-14(13)22-17/h1-6,11-12,22H,7-10H2","LVBLJETUJLRUDS-UHFFFAOYSA-N",null,16900]
["D16179",25914,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM50355496","O=C(N1CCNCC1)c1ccc(\\C=C\\c2n[nH]c3ccccc23)cc1","InChI=1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1-10,21H,11-14H2,(H,22,23)/b10-7+","YYLKKYCXAOBSRM-JXMROGBWSA-N",null,null,">10000"]
["D16180",32297,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446028","O=C(N1CCOCC1)N1CCN(CC1)c1ccc(cc1)C#C","InChI=1S/C17H21N3O2/c1-2-15-3-5-16(6-4-15)18-7-9-19(10-8-18)17(21)20-11-13-22-14-12-20/h1,3-6H,7-14H2","OFWSHLLNOKGGBN-UHFFFAOYSA-N",null,">30000"]
["D16181",32299,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446030","O=C(N1CCOCC1)N1CCN(CC1)c1ccc2ccccc2c1","InChI=1S/C19H23N3O2/c23-19(22-11-13-24-14-12-22)21-9-7-20(8-10-21)18-6-5-16-3-1-2-4-17(16)15-18/h1-6,15H,7-14H2","JUIOJWDMXYVVTL-UHFFFAOYSA-N",null,">30000"]
["D16182",32305,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446036","O=C(N1CCOCC1)N1CCN(CC1)c1ccccc1","InChI=1S/C15H21N3O2/c19-15(18-10-12-20-13-11-18)17-8-6-16(7-9-17)14-4-2-1-3-5-14/h1-5H,6-13H2","HYSVKZRGQBZLJC-UHFFFAOYSA-N",null,">30000"]
["D16183",32298,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446029","O=C(N1CCOCC1)N1CCN(CC1)c1cnc2ccccc2c1","InChI=1S/C18H22N4O2/c23-18(22-9-11-24-12-10-22)21-7-5-20(6-8-21)16-13-15-3-1-2-4-17(15)19-14-16/h1-4,13-14H,5-12H2","QKSWJXIYGJXJSC-UHFFFAOYSA-N",null,">30000"]
["D16184",16920,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276940","O=C(N1CCOCC1)c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C24H24N4O4/c25-15-17-13-16(1-2-22(17)32-18-4-9-30-10-5-18)19-3-6-26-23-20(19)14-21(27-23)24(29)28-7-11-31-12-8-28/h1-3,6,13-14,18H,4-5,7-12H2,(H,26,27)","RMTFITAOVDYEPI-UHFFFAOYSA-N",null,1000]
["D16185",16077,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277009","O=C(N1CCOCC1)c1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C29H27N5O4/c30-17-22-15-21(5-6-26(22)38-23-7-11-36-12-8-23)27-24-16-25(33-28(24)32-18-31-27)19-1-3-20(4-2-19)29(35)34-9-13-37-14-10-34/h1-6,15-16,18,23H,7-14H2,(H,31,32,33)","BMLBSNHUAPOBHI-UHFFFAOYSA-N",null,1.62]
["D16186",32337,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396707","O=C(N1CCOCC1)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1","InChI=1S/C20H22N2O4S/c23-20(21-10-12-26-13-11-21)17-6-3-7-19(14-17)27(24,25)22-9-8-16-4-1-2-5-18(16)15-22/h1-7,14H,8-13,15H2","SAEDSVXDOJRWQN-UHFFFAOYSA-N",null,">30000"]
["D16187",32336,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396706","O=C(N1CCSCC1)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1","InChI=1S/C20H22N2O3S2/c23-20(21-10-12-26-13-11-21)17-6-3-7-19(14-17)27(24,25)22-9-8-16-4-1-2-5-18(16)15-22/h1-7,14H,8-13,15H2","AYBGIGGYSMCTKR-UHFFFAOYSA-N",null,">30000"]
["D16188",16597,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278213","O=C(N1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)c1nc(=O)[nH][nH]1","InChI=1S/C30H29N11O4/c31-14-20-13-19(1-6-25(20)45-24-7-8-41(15-24)28(42)27-36-30(43)38-37-27)26-32-18-33-29(35-26)34-21-2-4-22(5-3-21)39-9-11-40(12-10-39)23-16-44-17-23/h1-6,13,18,23-24H,7-12,15-17H2,(H,32,33,34,35)/t24-/m1/s1","YODVWFPMWKRQRF-XMMPIXPASA-N",null,411]
["D16189",31797,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43594","O=C(N1CCc2ccccc12)c1cccnc1","InChI=1S/C14H12N2O/c17-14(12-5-3-8-15-10-12)16-9-7-11-4-1-2-6-13(11)16/h1-6,8,10H,7,9H2","YYKDBWANSKSVMO-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D16190",12165,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM78750","O=C(NC(=S)Nc1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1)c1cccs1","InChI=1S/C23H22N4O2S2/c28-21(20-7-4-16-31-20)25-23(30)24-18-8-10-19(11-9-18)26-12-14-27(15-13-26)22(29)17-5-2-1-3-6-17/h1-11,16H,12-15H2,(H2,24,25,28,30)","MBXIITSIAZATMT-UHFFFAOYSA-N",null,7013]
["D16191",25959,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Voltage-dependent L-type calcium channel subunit beta-1","Homo sapiens","BDBM50481466","O=C(NC(c1ccccc1)c1ccccc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1","InChI=1S/C31H31N3O/c35-31(32-29(25-13-5-1-6-14-25)26-15-7-2-8-16-26)34-23-21-33(22-24-34)30(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29-30H,21-24H2,(H,32,35)","PPVBMJIAJXVQFX-UHFFFAOYSA-N",null,150]
["D16192",32064,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46352","O=C(NC1CC1)c1cc2COc3ccccc3-c2s1","InChI=1S/C15H13NO2S/c17-15(16-10-5-6-10)13-7-9-8-18-12-4-2-1-3-11(12)14(9)19-13/h1-4,7,10H,5-6,8H2,(H,16,17)","NMEUISSPDVDMBJ-UHFFFAOYSA-N",null,">55700"]
["D16193",15946,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276873","O=C(NC1CC1)c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C23H22N4O3/c24-13-15-11-14(1-4-21(15)30-17-6-9-29-10-7-17)18-5-8-25-22-19(18)12-20(27-22)23(28)26-16-2-3-16/h1,4-5,8,11-12,16-17H,2-3,6-7,9-10H2,(H,25,27)(H,26,28)","BWKLZGQQSYIAEL-UHFFFAOYSA-N",null,79.4]
["D16194",4156,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67041","O=C(NC1CCCC1)c1cccc2c1C(=O)c1ccc(\\C=C\\c3ccccc3)cc1S2(=O)=O","InChI=1S/C27H23NO4S/c29-26-21-16-15-19(14-13-18-7-2-1-3-8-18)17-24(21)33(31,32)23-12-6-11-22(25(23)26)27(30)28-20-9-4-5-10-20/h1-3,6-8,11-17,20H,4-5,9-10H2,(H,28,30)/b14-13+","FQUYRGBXXUVLKD-BUHFOSPRSA-N",{"$nulls":3},10620]
["D16195",16877,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246021","O=C(NC1CCNCC1)c1cccc(Nc2nccc(n2)-c2cnc(NC3CCOC3)c(c2)C#N)c1","InChI=1S/C26H28N8O2/c27-14-18-12-19(15-30-24(18)31-22-7-11-36-16-22)23-6-10-29-26(34-23)33-21-3-1-2-17(13-21)25(35)32-20-4-8-28-9-5-20/h1-3,6,10,12-13,15,20,22,28H,4-5,7-9,11,16H2,(H,30,31)(H,32,35)(H,29,33,34)","WOGLMQHPFDUXIY-UHFFFAOYSA-N",null,"<1000",{"$nulls":4},7.5]
["D16196",14496,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277853","O=C(NC1COC1)c1ccc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cc1","InChI=1S/C25H24N6O4/c26-12-18-11-17(3-6-22(18)35-21-7-9-33-10-8-21)23-27-15-28-25(31-23)30-19-4-1-16(2-5-19)24(32)29-20-13-34-14-20/h1-6,11,15,20-21H,7-10,13-14H2,(H,29,32)(H,27,28,30,31)","URHODGROVLUHQW-UHFFFAOYSA-N",null,3]
["D16197",4477,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66448","O=C(NCC1OCCCN1S(=O)(=O)c1ccccc1)C(=O)NCc1cccs1","InChI=1S/C18H21N3O5S2/c22-17(19-12-14-6-4-11-27-14)18(23)20-13-16-21(9-5-10-26-16)28(24,25)15-7-2-1-3-8-15/h1-4,6-8,11,16H,5,9-10,12-13H2,(H,19,22)(H,20,23)","SGXGRHWKZKPPPK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16198",3979,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66885","O=C(NCCCN1CCCCC1)c1ccc2Sc3ccccc3C(=O)Nc2c1","InChI=1S/C22H25N3O2S/c26-21(23-11-6-14-25-12-4-1-5-13-25)16-9-10-20-18(15-16)24-22(27)17-7-2-3-8-19(17)28-20/h2-3,7-10,15H,1,4-6,11-14H2,(H,23,26)(H,24,27)","LTPFNIUBEYTRLN-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16199",17652,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50401929","O=C(NCCCNc1nc(NC2CCCCC2)ncc1C1CC1)c1cccs1","InChI=1S/C21H29N5OS/c27-20(18-8-4-13-28-18)23-12-5-11-22-19-17(15-9-10-15)14-24-21(26-19)25-16-6-2-1-3-7-16/h4,8,13-16H,1-3,5-7,9-12H2,(H,23,27)(H2,22,24,25,26)","FYOSSYGFAQVIGI-UHFFFAOYSA-N",null,">10000"]
["D16200",20,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401924","O=C(NCCCNc1nc(Nc2ccc(CN3CCCCC3)nc2)ncc1C1CC1)C1CCC1","InChI=1S/C26H37N7O/c34-25(20-6-4-7-20)28-13-5-12-27-24-23(19-8-9-19)17-30-26(32-24)31-21-10-11-22(29-16-21)18-33-14-2-1-3-15-33/h10-11,16-17,19-20H,1-9,12-15,18H2,(H,28,34)(H2,27,30,31,32)","YMKUQCYWRPVRGE-UHFFFAOYSA-N",null,1200]
["D16201",8,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401927","O=C(NCCCNc1nc(Nc2ccc(cc2)-n2cncn2)ncc1C1CC1)C1CCC1","InChI=1S/C23H28N8O/c32-22(17-3-1-4-17)26-12-2-11-25-21-20(16-5-6-16)13-27-23(30-21)29-18-7-9-19(10-8-18)31-15-24-14-28-31/h7-10,13-17H,1-6,11-12H2,(H,26,32)(H2,25,27,29,30)","UNJQFYGCPVIKPA-UHFFFAOYSA-N",null,150]
["D16202",1,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401900","O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-3-1-4-19)27-12-2-11-26-23-22(18-5-6-18)17-28-25(30-23)29-20-7-9-21(10-8-20)31-13-15-33-16-14-31/h7-10,17-19H,1-6,11-16H2,(H,27,32)(H2,26,28,29,30)","CJPMSUUANYLPET-UHFFFAOYSA-N",null,58]
["D16203",13,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401925","O=C(NCCCNc1nc(Nc2ccc(nc2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C24H33N7O2/c32-23(18-3-1-4-18)26-10-2-9-25-22-20(17-5-6-17)16-28-24(30-22)29-19-7-8-21(27-15-19)31-11-13-33-14-12-31/h7-8,15-18H,1-6,9-14H2,(H,26,32)(H2,25,28,29,30)","OGBCWLLWFKPBKH-UHFFFAOYSA-N",null,490]
["D16204",16,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401922","O=C(NCCCNc1nc(Nc2ccc3CCN(Cc3c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C27H36N6O/c34-26(20-3-1-4-20)29-13-2-12-28-25-24(19-5-6-19)16-30-27(32-25)31-22-8-7-18-11-14-33(23-9-10-23)17-21(18)15-22/h7-8,15-16,19-20,23H,1-6,9-14,17H2,(H,29,34)(H2,28,30,31,32)","MDSQSUYVBCKIKT-UHFFFAOYSA-N",null,570]
["D16205",18261,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50111572","O=C(NCCCNc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C26H36N6O2/c33-25(21-5-2-6-21)28-11-3-10-27-24-23(20-8-9-20)17-29-26(31-24)30-22-7-1-4-19(16-22)18-32-12-14-34-15-13-32/h1,4,7,16-17,20-21H,2-3,5-6,8-15,18H2,(H,28,33)(H2,27,29,30,31)","UKBGBACORPRCGG-UHFFFAOYSA-N",null,null,79]
["D16206",3,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401903","O=C(NCCCNc1nc(Nc2cccc(Cn3cncn3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H30N8O/c33-23(19-5-2-6-19)27-11-3-10-26-22-21(18-8-9-18)13-28-24(31-22)30-20-7-1-4-17(12-20)14-32-16-25-15-29-32/h1,4,7,12-13,15-16,18-19H,2-3,5-6,8-11,14H2,(H,27,33)(H2,26,28,30,31)","GDYSINUURRPNLP-UHFFFAOYSA-N",null,88]
["D16207",15,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401905","O=C(NCCCNc1nc(Nc2cccc(c2)-c2cnco2)ncc1C1CC1)C1CCC1","InChI=1S/C24H28N6O2/c31-23(17-4-1-5-17)27-11-3-10-26-22-20(16-8-9-16)13-28-24(30-22)29-19-7-2-6-18(12-19)21-14-25-15-32-21/h2,6-7,12-17H,1,3-5,8-11H2,(H,27,31)(H2,26,28,29,30)","DHEGBWHMLXDRTE-UHFFFAOYSA-N",null,560]
["D16208",17,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401904","O=C(NCCCNc1nc(Nc2cccc(c2)N2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C25H34N6O2/c32-24(19-4-1-5-19)27-11-3-10-26-23-22(18-8-9-18)17-28-25(30-23)29-20-6-2-7-21(16-20)31-12-14-33-15-13-31/h2,6-7,16-19H,1,3-5,8-15H2,(H,27,32)(H2,26,28,29,30)","IBJXOEFBZCQHEA-UHFFFAOYSA-N",null,580]
["D16209",19,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401926","O=C(NCCCNc1nc(Nc2cccnc2)ncc1C1CC1)C1CCC1","InChI=1S/C20H26N6O/c27-19(15-4-1-5-15)23-11-3-10-22-18-17(14-7-8-14)13-24-20(26-18)25-16-6-2-9-21-12-16/h2,6,9,12-15H,1,3-5,7-8,10-11H2,(H,23,27)(H2,22,24,25,26)","DAAZPAUBEVGXFD-UHFFFAOYSA-N",null,">1000"]
["D16210",17402,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50401923","O=C(NCCCNc1nc(Nc2cncnc2)ncc1C1CC1)C1CCC1","InChI=1S/C19H25N7O/c27-18(14-3-1-4-14)23-8-2-7-22-17-16(13-5-6-13)11-24-19(26-17)25-15-9-20-12-21-10-15/h9-14H,1-8H2,(H,23,27)(H2,22,24,25,26)","KCBFTJPMBBCOID-UHFFFAOYSA-N",null,3200]
["D16211",23,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401912","O=C(NCCCNc1nc(Nc2cnn(CCN3CCOCC3)c2)ncc1C1CC1)C1CCC1","InChI=1S/C24H36N8O2/c33-23(19-3-1-4-19)26-8-2-7-25-22-21(18-5-6-18)16-27-24(30-22)29-20-15-28-32(17-20)10-9-31-11-13-34-14-12-31/h15-19H,1-14H2,(H,26,33)(H2,25,27,29,30)","OOXCKYWNRURMMA-UHFFFAOYSA-N",null,9000]
["D16212",6,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401916","O=C(NCCCNc1nc(Nc2cnn(c2)C2CC2)ncc1C1CC1)C1CCC1","InChI=1S/C21H29N7O/c29-20(15-3-1-4-15)23-10-2-9-22-19-18(14-5-6-14)12-24-21(27-19)26-16-11-25-28(13-16)17-7-8-17/h11-15,17H,1-10H2,(H,23,29)(H2,22,24,26,27)","PLHGRDHBKJDBAW-UHFFFAOYSA-N",null,130]
["D16213",10,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401915","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCC2)ncc1C1CC1)C1CCC1","InChI=1S/C22H31N7O/c30-21(16-4-1-5-16)24-11-3-10-23-20-19(15-8-9-15)13-25-22(28-20)27-17-12-26-29(14-17)18-6-2-7-18/h12-16,18H,1-11H2,(H,24,30)(H2,23,25,27,28)","WFLUXPNQSNOSDL-UHFFFAOYSA-N",null,220]
["D16214",5,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401914","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O/c31-22(17-5-3-6-17)25-12-4-11-24-21-20(16-9-10-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-1-2-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BGULRIZNMKERDJ-UHFFFAOYSA-N",null,93]
["D16215",11,"7dx1_A",0.4,"Spike glycoprotein","Serine/threonine-protein kinase TBK1","Mus musculus","BDBM50401913","O=C(NCCCNc1nc(Nc2cnn(c2)C2CCOCC2)ncc1C1CC1)C1CCC1","InChI=1S/C23H33N7O2/c31-22(17-3-1-4-17)25-10-2-9-24-21-20(16-5-6-16)14-26-23(29-21)28-18-13-27-30(15-18)19-7-11-32-12-8-19/h13-17,19H,1-12H2,(H,25,31)(H2,24,26,28,29)","BPUHLRZXPRJIDO-UHFFFAOYSA-N",null,280]
["D16216",4648,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66590","O=C(NCCN1CCN(CC1)c1ccccc1)c1ccc2c3nc4ccccc4n3c(=S)[nH]c2c1","InChI=1S/C27H26N6OS/c34-26(28-12-13-31-14-16-32(17-15-31)20-6-2-1-3-7-20)19-10-11-21-23(18-19)30-27(35)33-24-9-5-4-8-22(24)29-25(21)33/h1-11,18H,12-17H2,(H,28,34)(H,30,35)","QYJWKZILKVHCOR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16217",16458,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278376","O=C(NCCOc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)c1cccnc1","InChI=1S/C31H31N9O3/c32-17-24-16-22(3-8-28(24)43-15-10-34-30(41)23-2-1-9-33-18-23)29-35-21-36-31(38-29)37-25-4-6-26(7-5-25)39-11-13-40(14-12-39)27-19-42-20-27/h1-9,16,18,21,27H,10-15,19-20H2,(H,34,41)(H,35,36,37,38)","OBWLDNKSQSVPND-UHFFFAOYSA-N",null,267]
["D16218",12214,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87346","O=C(NCCc1ccccc1)c1ccc2OCCOc2c1","InChI=1S/C17H17NO3/c19-17(18-9-8-13-4-2-1-3-5-13)14-6-7-15-16(12-14)21-11-10-20-15/h1-7,12H,8-11H2,(H,18,19)","ZMFWYMJZUHKWNQ-UHFFFAOYSA-N",null,9592]
["D16219",32331,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396701","O=C(NCCc1ccncc1)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1","InChI=1S/C23H23N3O3S/c27-23(25-14-10-18-8-12-24-13-9-18)20-6-3-7-22(16-20)30(28,29)26-15-11-19-4-1-2-5-21(19)17-26/h1-9,12-13,16H,10-11,14-15,17H2,(H,25,27)","SHNFSQVBYMQAPJ-UHFFFAOYSA-N",null,">30000"]
["D16220",4223,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66231","O=C(NCc1ccc2OCOc2c1)C1CCN(CC1)c1ncccn1","InChI=1S/C18H20N4O3/c23-17(21-11-13-2-3-15-16(10-13)25-12-24-15)14-4-8-22(9-5-14)18-19-6-1-7-20-18/h1-3,6-7,10,14H,4-5,8-9,11-12H2,(H,21,23)","ICMAIRLKWRFQFM-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16221",12029,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43160","O=C(NCc1ccc2OCOc2c1)Nc1ccc2nsnc2c1","InChI=1S/C15H12N4O3S/c20-15(17-10-2-3-11-12(6-10)19-23-18-11)16-7-9-1-4-13-14(5-9)22-8-21-13/h1-6H,7-8H2,(H2,16,17,20)","DNCNFJXEOZLMMV-UHFFFAOYSA-N",{"$nulls":3},29800]
["D16222",4412,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66331","O=C(NCc1ccccc1)c1ccc(cc1)C(=O)N(C1CCCCC1)C1CCCCC1","InChI=1S/C27H34N2O2/c30-26(28-20-21-10-4-1-5-11-21)22-16-18-23(19-17-22)27(31)29(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1,4-5,10-11,16-19,24-25H,2-3,6-9,12-15,20H2,(H,28,30)","BMEBNMBANZRCJA-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16223",3808,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66739","O=C(NCc1cccnc1)[C@@H]1CC=C[C@@H]2CCN(Cc3ccccc3)C(=O)[C@H]12","InChI=1S/C23H25N3O2/c27-22(25-15-18-8-5-12-24-14-18)20-10-4-9-19-11-13-26(23(28)21(19)20)16-17-6-2-1-3-7-17/h1-9,12,14,19-21H,10-11,13,15-16H2,(H,25,27)/t19-,20-,21+/m1/s1","PMMNKUWMSUZIFG-NJYVYQBISA-N",{"$nulls":3},">350000"]
["D16224",32117,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43544","O=C(NNC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc12)c1ccccc1","InChI=1S/C22H19N3O4S/c26-21(17-8-2-1-3-9-17)23-24-22(27)18-10-6-11-19(15-18)30(28,29)25-14-13-16-7-4-5-12-20(16)25/h1-12,15H,13-14H2,(H,23,26)(H,24,27)","FFONUTVMHVRIEP-UHFFFAOYSA-N",null,">55700"]
["D16225",32051,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46343","O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(cc1)S(=O)(=O)N1CCOCC1","InChI=1S/C23H23N3O4S/c27-23(25-21-5-1-18(2-6-21)17-19-9-11-24-12-10-19)20-3-7-22(8-4-20)31(28,29)26-13-15-30-16-14-26/h1-12H,13-17H2,(H,25,27)","VMXPKINUOWOAFI-UHFFFAOYSA-N",null,">55700"]
["D16226",32074,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46359","O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(CC1)c1c2CCCc2nc2ncnn12","InChI=1S/C26H26N6O2/c33-24(29-19-9-11-21(12-10-19)34-20-5-2-1-3-6-20)18-13-15-31(16-14-18)25-22-7-4-8-23(22)30-26-27-17-28-32(25)26/h1-3,5-6,9-12,17-18H,4,7-8,13-16H2,(H,29,33)","BEGKUBYMGKHTEQ-UHFFFAOYSA-N",null,">55700"]
["D16227",32066,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM37218","O=C(Nc1ccc(Oc2ccccc2)cc1)c1cnc2SCCn2c1=O","InChI=1S/C19H15N3O3S/c23-17(16-12-20-19-22(18(16)24)10-11-26-19)21-13-6-8-15(9-7-13)25-14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,21,23)","FJGYYALBERLCNB-UHFFFAOYSA-N",null,">55700"]
["D16228",3763,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM51690","O=C(Nc1ccc(cc1)-c1nc2cc(NC(=O)c3cccs3)ccc2o1)c1cccs1","InChI=1S/C23H15N3O3S2/c27-21(19-3-1-11-30-19)24-15-7-5-14(6-8-15)23-26-17-13-16(9-10-18(17)29-23)25-22(28)20-4-2-12-31-20/h1-13H,(H,24,27)(H,25,28)","JFJUHFWMQXVBGE-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16229",11814,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42971","O=C(Nc1ccc(cc1)N1CCCCC1)c1ccccc1","InChI=1S/C18H20N2O/c21-18(15-7-3-1-4-8-15)19-16-9-11-17(12-10-16)20-13-5-2-6-14-20/h1,3-4,7-12H,2,5-6,13-14H2,(H,19,21)","YLOKWKMPODCMBQ-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D16230",4212,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66223","O=C(Nc1ccc(cc1)N1CCN(CC1)C(=O)c1ccco1)c1cccs1","InChI=1S/C20H19N3O3S/c24-19(18-4-2-14-27-18)21-15-5-7-16(8-6-15)22-9-11-23(12-10-22)20(25)17-3-1-13-26-17/h1-8,13-14H,9-12H2,(H,21,24)","HBNQGNRHHYSKLU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16231",4340,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66281","O=C(Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccco1","InChI=1S/C15H16N2O5S/c18-15(14-2-1-9-22-14)16-12-3-5-13(6-4-12)23(19,20)17-7-10-21-11-8-17/h1-6,9H,7-8,10-11H2,(H,16,18)","LCBIHDXSZBHWBZ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16232",15040,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276846","O=C(Nc1ccc(cc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1)C1CC1","InChI=1S/C28H25N5O2/c29-17-21-15-20(5-8-25(21)32-28(34)19-1-2-19)23-9-10-30-27-24(23)16-26(31-27)18-3-6-22(7-4-18)33-11-13-35-14-12-33/h3-10,15-16,19H,1-2,11-14H2,(H,30,31)(H,32,34)","HKSFXYOGLAQDLF-UHFFFAOYSA-N",null,9.34,{"$nulls":4},7]
["D16233",15685,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277820","O=C(Nc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCOCC2)n1)C1CC1","InChI=1S/C24H23N7O2/c25-14-18-13-17(3-8-21(18)29-23(32)16-1-2-16)22-26-15-27-24(30-22)28-19-4-6-20(7-5-19)31-9-11-33-12-10-31/h3-8,13,15-16H,1-2,9-12H2,(H,29,32)(H,26,27,28,30)","WDZWNVSAGCMVIE-UHFFFAOYSA-N",null,35]
["D16234",16388,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277815","O=C(Nc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCOCC2)n1)C1CCCN1","InChI=1S/C25H26N8O2/c26-15-18-14-17(3-8-21(18)31-24(34)22-2-1-9-27-22)23-28-16-29-25(32-23)30-19-4-6-20(7-5-19)33-10-12-35-13-11-33/h3-8,14,16,22,27H,1-2,9-13H2,(H,31,34)(H,28,29,30,32)","WXYXINFVQXMNNF-UHFFFAOYSA-N",null,203]
["D16235",4410,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66330","O=C(Nc1ccc2C(=O)NC(=O)c2c1)C1CCCO1","InChI=1S/C13H12N2O4/c16-11-8-4-3-7(6-9(8)12(17)15-11)14-13(18)10-2-1-5-19-10/h3-4,6,10H,1-2,5H2,(H,14,18)(H,15,16,17)","MAHQLVGTPLYAFT-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16236",11887,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43035","O=C(Nc1ccc2oc(nc2c1)-c1ccc2ccccc2c1)c1ccc2OCCOc2c1","InChI=1S/C26H18N2O4/c29-25(18-7-9-23-24(14-18)31-12-11-30-23)27-20-8-10-22-21(15-20)28-26(32-22)19-6-5-16-3-1-2-4-17(16)13-19/h1-10,13-15H,11-12H2,(H,27,29)","KIZORUVKWOWXMR-UHFFFAOYSA-N",{"$nulls":3},37070]
["D16237",12356,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42889","O=C(Nc1cccc(NS(=O)(=O)c2ccc(cc2)S(=O)(=O)NC2CC2)c1)c1ccccn1","InChI=1S/C21H20N4O5S2/c26-21(20-6-1-2-13-22-20)23-16-4-3-5-17(14-16)25-32(29,30)19-11-9-18(10-12-19)31(27,28)24-15-7-8-15/h1-6,9-15,24-25H,7-8H2,(H,23,26)","FXEKYLIMEGOHLI-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D16238",3733,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66358","O=C(Nc1ccccc1)C1CC(=O)OC11CCCCC1","InChI=1S/C16H19NO3/c18-14-11-13(16(20-14)9-5-2-6-10-16)15(19)17-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,17,19)","KCMFZLBQXURGIT-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16239",16519,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276875","O=C(Nc1ccccc1)c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C26H22N4O3/c27-16-18-14-17(6-7-24(18)33-20-9-12-32-13-10-20)21-8-11-28-25-22(21)15-23(30-25)26(31)29-19-4-2-1-3-5-19/h1-8,11,14-15,20H,9-10,12-13H2,(H,28,30)(H,29,31)","IXANCEFCAMWOSC-UHFFFAOYSA-N",null,312]
["D16240",3786,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66719","O=C(Nc1cccnc1)\\C=C\\c1ccccc1","InChI=1S/C14H12N2O/c17-14(16-13-7-4-10-15-11-13)9-8-12-5-2-1-3-6-12/h1-11H,(H,16,17)/b9-8+","LIKDGODLSLTXFU-CMDGGOBGSA-N",{"$nulls":3},">350000"]
["D16241",12088,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87302","O=C(Nc1cccnc1)c1ccc(cc1)C(=O)Nc1cccnc1","InChI=1S/C18H14N4O2/c23-17(21-15-3-1-9-19-11-15)13-5-7-14(8-6-13)18(24)22-16-4-2-10-20-12-16/h1-12H,(H,21,23)(H,22,24)","ORXJMMUTXRTWHW-UHFFFAOYSA-N",null,">3984"]
["D16242",32112,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46408","O=C(Nc1ccncc1)c1ccc(cc1)-c1ccccc1","InChI=1S/C18H14N2O/c21-18(20-17-10-12-19-13-11-17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H,(H,19,20,21)","ANWLWGXHARUECE-UHFFFAOYSA-N",null,">55700"]
["D16243",32076,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46361","O=C(Nc1ccncc1)c1ccc2C(=O)N(C3CCCCC3)C(=O)c2c1","InChI=1S/C20H19N3O3/c24-18(22-14-8-10-21-11-9-14)13-6-7-16-17(12-13)20(26)23(19(16)25)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,21,22,24)","OOTAAKCXVVNNBK-UHFFFAOYSA-N",null,">55700"]
["D16244",12426,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM50303385","O=C(Nc1nc(cs1)-c1ccc(cc1)S(=O)(=O)N1CCCCCC1)c1cccs1","InChI=1S/C20H21N3O3S3/c24-19(18-6-5-13-27-18)22-20-21-17(14-28-20)15-7-9-16(10-8-15)29(25,26)23-11-3-1-2-4-12-23/h5-10,13-14H,1-4,11-12H2,(H,21,22,24)","SULMLRBYXGQSKE-UHFFFAOYSA-N",{"$nulls":3},17420]
["D16245",12275,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM58136","O=C(Nc1nc(cs1)-c1ccccn1)c1cccc(c1)-n1cnnn1","InChI=1S/C16H11N7OS/c24-15(11-4-3-5-12(8-11)23-10-18-21-22-23)20-16-19-14(9-25-16)13-6-1-2-7-17-13/h1-10H,(H,19,20,24)","LBULVQIAQUOMQZ-UHFFFAOYSA-N",null,21712]
["D16246",3735,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66359","O=C(Nc1nc2CN(Cc3ccccc3)CCc2s1)C(=C\\c1ccc(OCc2ccccc2)cc1)\\C#N","InChI=1S/C30H26N4O2S/c31-18-25(17-22-11-13-26(14-12-22)36-21-24-9-5-2-6-10-24)29(35)33-30-32-27-20-34(16-15-28(27)37-30)19-23-7-3-1-4-8-23/h1-14,17H,15-16,19-21H2,(H,32,33,35)/b25-17+","GJYUJEHZPNBNCN-KOEQRZSOSA-N",{"$nulls":3},">350000"]
["D16247",12251,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM63590","O=C(Nc1nc2cc3OCCOc3cc2s1)C1=COCCO1","InChI=1S/C14H12N2O5S/c17-13(11-7-18-1-2-21-11)16-14-15-8-5-9-10(6-12(8)22-14)20-4-3-19-9/h5-7H,1-4H2,(H,15,16,17)","GJYCIBJNVBRJSJ-UHFFFAOYSA-N",null,13126]
["D16248",32178,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43617","O=C(Nc1nc2cccc3cccc([nH]1)c23)c1ccccc1","InChI=1S/C18H13N3O/c22-17(13-6-2-1-3-7-13)21-18-19-14-10-4-8-12-9-5-11-15(20-18)16(12)14/h1-11H,(H2,19,20,21,22)","PJKBIJNPOJPHAR-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D16249",12187,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87276","O=C(Nc1nc2ccccc2s1)C1c2ccccc2Oc2ccccc12","InChI=1S/C21H14N2O2S/c24-20(23-21-22-15-9-3-6-12-18(15)26-21)19-13-7-1-4-10-16(13)25-17-11-5-2-8-14(17)19/h1-12,19H,(H,22,23,24)","NKOPNLUYOHOGFZ-UHFFFAOYSA-N",null,7970]
["D16250",31737,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM68331","O=C(Nc1nc2ccccc2s1)c1cc2ccccc2s1","InChI=1S/C16H10N2OS2/c19-15(14-9-10-5-1-3-7-12(10)20-14)18-16-17-11-6-2-4-8-13(11)21-16/h1-9H,(H,17,18,19)","RTXPUAJFUDAYTN-UHFFFAOYSA-N",{"$nulls":3}," 834.72"]
["D16251",32041,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM36863","O=C(Nc1nccs1)c1ccc(cc1)S(=O)(=O)NCC1CCCCC1","InChI=1S/C17H21N3O3S2/c21-16(20-17-18-10-11-24-17)14-6-8-15(9-7-14)25(22,23)19-12-13-4-2-1-3-5-13/h6-11,13,19H,1-5,12H2,(H,18,20,21)","QFQOHPYLCCJBDK-UHFFFAOYSA-N",null,">55700"]
["D16252",32022,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67131","O=C(OCC1CCCCC1)c1nn(-c2ccccc2)c(=O)c2ccccc12","InChI=1S/C22H22N2O3/c25-21-19-14-8-7-13-18(19)20(23-24(21)17-11-5-2-6-12-17)22(26)27-15-16-9-3-1-4-10-16/h2,5-8,11-14,16H,1,3-4,9-10,15H2","FHUUEHKCXQFXKI-UHFFFAOYSA-N",null,">55690"]
["D16253",4450,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM57528","O=C(Oc1cccc(CN=Nc2nc(Nc3ccccc3)nc(n2)N2CCOCC2)c1)c1ccco1","InChI=1S/C25H23N7O4/c33-22(21-10-5-13-35-21)36-20-9-4-6-18(16-20)17-26-31-24-28-23(27-19-7-2-1-3-8-19)29-25(30-24)32-11-14-34-15-12-32/h1-10,13,16H,11-12,14-15,17H2,(H,27,28,29,30)","IEDBTEOEBJMJHT-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16254",4379,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM40313","O=C1C(=O)c2ccc(cc2-c2ccccc12)-c1ccccc1","InChI=1S/C20H12O2/c21-19-16-9-5-4-8-15(16)18-12-14(10-11-17(18)20(19)22)13-6-2-1-3-7-13/h1-12H","FYCOSPPERUDHQX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16255",3777,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66384","O=C1C(Cc2ccccc2)S\\C(=N/c2ccccc2)N1c1ccccc1","InChI=1S/C22H18N2OS/c25-21-20(16-17-10-4-1-5-11-17)26-22(23-18-12-6-2-7-13-18)24(21)19-14-8-3-9-15-19/h1-15,20H,16H2/b23-22-","YRGIXGZBFRNAQP-FCQUAONHSA-N",{"$nulls":3},">350000"]
["D16256",32072,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46357","O=C1C2C(C3c4ccccc4C2c2ccccc32)c2nc3ccccc3n12","InChI=1S/C24H16N2O/c27-24-22-20-15-9-3-1-7-13(15)19(14-8-2-4-10-16(14)20)21(22)23-25-17-11-5-6-12-18(17)26(23)24/h1-12,19-22H","YKWULJVVXOGHSJ-UHFFFAOYSA-N",null,">55700"]
["D16257",32086,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46372","O=C1C2[C@H](C3c4ccccc4C2c2ccccc32)c2nc3ccccc3n12","InChI=1S/C24H16N2O/c27-24-22-20-15-9-3-1-7-13(15)19(14-8-2-4-10-16(14)20)21(22)23-25-17-11-5-6-12-18(17)26(23)24/h1-12,19-22H/t19?,20?,21-,22?/m0/s1","YKWULJVVXOGHSJ-GMONCZTGSA-N",null,">55700"]
["D16258",4695,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM50300340","O=C1C=CC(=O)N1c1cccc(c1)-c1ccccc1","InChI=1S/C16H11NO2/c18-15-9-10-16(19)17(15)14-8-4-7-13(11-14)12-5-2-1-3-6-12/h1-11H","QQAJYNGNBJIZPR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16259",16774,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM375883","O=C1CC(CCOc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)CCN1","InChI=1S/C30H34N8O3/c31-17-23-16-22(1-6-27(23)41-14-8-21-7-9-32-28(39)15-21)29-33-20-34-30(36-29)35-24-2-4-25(5-3-24)37-10-12-38(13-11-37)26-18-40-19-26/h1-6,16,20-21,26H,7-15,18-19H2,(H,32,39)(H,33,34,35,36)","PXKBNXJZYYBDKF-UHFFFAOYSA-N",null,662]
["D16260",15995,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278375","O=C1CC(CCOc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)CN1","InChI=1S/C29H32N8O3/c30-15-22-14-21(1-6-26(22)40-12-7-20-13-27(38)31-16-20)28-32-19-33-29(35-28)34-23-2-4-24(5-3-23)36-8-10-37(11-9-36)25-17-39-18-25/h1-6,14,19-20,25H,7-13,16-18H2,(H,31,38)(H,32,33,34,35)","ZKFZDTFRAIIRBT-UHFFFAOYSA-N",null,95]
["D16261",15461,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278382","O=C1CC(COc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)CCN1","InChI=1S/C29H32N8O3/c30-15-22-14-21(1-6-26(22)40-16-20-7-8-31-27(38)13-20)28-32-19-33-29(35-28)34-23-2-4-24(5-3-23)36-9-11-37(12-10-36)25-17-39-18-25/h1-6,14,19-20,25H,7-13,16-18H2,(H,31,38)(H,32,33,34,35)","BIPRZAXBDQXIQQ-UHFFFAOYSA-N",null,28]
["D16262",14634,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277892","O=C1CCC(CN1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H30N8O3/c29-14-20-13-19(1-7-25(20)39-24-6-8-26(37)30-15-24)27-31-18-32-28(34-27)33-21-2-4-22(5-3-21)35-9-11-36(12-10-35)23-16-38-17-23/h1-5,7,13,18,23-24H,6,8-12,15-17H2,(H,30,37)(H,31,32,33,34)","DIXDYWHMSFOQRD-UHFFFAOYSA-N",null,4]
["D16263",16343,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278372","O=C1CCC(COc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)N1","InChI=1S/C28H30N8O3/c29-14-20-13-19(1-7-25(20)39-15-22-4-8-26(37)32-22)27-30-18-31-28(34-27)33-21-2-5-23(6-3-21)35-9-11-36(12-10-35)24-16-38-17-24/h1-3,5-7,13,18,22,24H,4,8-12,15-17H2,(H,32,37)(H,30,31,33,34)","WHHRMRUFBJWYQE-UHFFFAOYSA-N",null,169]
["D16264",16709,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278378","O=C1CCCN1CCCOc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C30H34N8O3/c31-18-23-17-22(4-9-27(23)41-16-2-11-38-10-1-3-28(38)39)29-32-21-33-30(35-29)34-24-5-7-25(8-6-24)36-12-14-37(15-13-36)26-19-40-20-26/h4-9,17,21,26H,1-3,10-16,19-20H2,(H,32,33,34,35)","FXKNDMYQWNYCNY-UHFFFAOYSA-N",null,517]
["D16265",15777,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276939","O=C1CCCN1Cc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C28H26N6O2/c29-16-22-14-20(3-4-21(22)17-34-9-1-2-26(34)35)27-24-15-25(32-28(24)31-18-30-27)19-5-7-23(8-6-19)33-10-12-36-13-11-33/h3-8,14-15,18H,1-2,9-13,17H2,(H,30,31,32)","QCINQOCJYJEPII-UHFFFAOYSA-N",null,45.7,{"$nulls":4},7]
["D16266",32056,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46346","O=C1CCCN1c1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1ccccc1","InChI=1S/C21H24N2O3S/c24-21-7-4-14-23(21)19-8-10-20(11-9-19)27(25,26)22-15-12-18(13-16-22)17-5-2-1-3-6-17/h1-3,5-6,8-11,18H,4,7,12-16H2","CAVQCWOAPXMFIX-UHFFFAOYSA-N",null,">55700"]
["D16267",32256,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50430722","O=C1CCCN1c1ccc(cc1)S(=O)(=O)N1CCCCC1","InChI=1S/C15H20N2O3S/c18-15-5-4-12-17(15)13-6-8-14(9-7-13)21(19,20)16-10-2-1-3-11-16/h6-9H,1-5,10-12H2","MHPNPLGXASZSRU-UHFFFAOYSA-N",null,">30000"]
["D16268",32257,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396700","O=C1CCCN1c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1","InChI=1S/C19H20N2O3S/c22-19-6-3-12-21(19)17-7-9-18(10-8-17)25(23,24)20-13-11-15-4-1-2-5-16(15)14-20/h1-2,4-5,7-10H,3,6,11-14H2","QTXMWXSORYCFRR-UHFFFAOYSA-N",null,">30000"]
["D16269",15420,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276827","O=C1CCCN1c1ccc(cc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C28H25N5O2/c29-18-21-16-20(5-8-26(21)33-11-1-2-27(33)34)23-9-10-30-28-24(23)17-25(31-28)19-3-6-22(7-4-19)32-12-14-35-15-13-32/h3-10,16-17H,1-2,11-15H2,(H,30,31)","JLPOIGULVBDVGS-UHFFFAOYSA-N",null,24.9]
["D16270",16412,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277806","O=C1CCCN1c1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C27H28N8O2/c28-15-20-14-19(3-8-24(20)35-9-1-2-25(35)36)26-29-18-30-27(32-26)31-21-4-6-22(7-5-21)33-10-12-34(13-11-33)23-16-37-17-23/h3-8,14,18,23H,1-2,9-13,16-17H2,(H,29,30,31,32)","HDCGICFNDATEET-UHFFFAOYSA-N",null,225]
["D16271",3707,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50440205","O=C1CCCc2nc(sc12)C#Cc1ccccc1","InChI=1S/C15H11NOS/c17-13-8-4-7-12-15(13)18-14(16-12)10-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-8H2","SZGKTGVROKLYCT-UHFFFAOYSA-N",{"$nulls":3},">10000"]
["D16272",16884,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246062","O=C1CCN(CCN1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1","InChI=1S/C25H27N9O2/c26-14-18-13-19(15-30-24(18)34-7-4-23(35)27-6-8-34)22-3-5-28-25(32-22)31-20-1-2-21(29-16-20)17-33-9-11-36-12-10-33/h1-3,5,13,15-16H,4,6-12,17H2,(H,27,35)(H,28,31,32)","LKEAXZOZGARDOL-UHFFFAOYSA-N",null,"<1000",{"$nulls":4},7.5]
["D16273",3706,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50337525","O=C1CCOc2cc(COc3ccccc3)ccc12","InChI=1S/C16H14O3/c17-15-8-9-18-16-10-12(6-7-14(15)16)11-19-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2","LOURISIOISPYCO-UHFFFAOYSA-N",{"$nulls":3},">10000"]
["D16274",3705,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM49388","O=C1CCOc2cc(OCc3ccccc3)ccc12","InChI=1S/C16H14O3/c17-15-8-9-18-16-10-13(6-7-14(15)16)19-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2","MLQFOEOUNIRULR-UHFFFAOYSA-N",{"$nulls":3},">10000"]
["D16275",15576,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148083","O=C1CCc2ccc(Nc3nccc(n3)-c3ccc(N4CCCC4)c(c3)C#N)cc2N1","InChI=1S/C24H22N6O/c25-15-18-13-17(4-7-22(18)30-11-1-2-12-30)20-9-10-26-24(29-20)27-19-6-3-16-5-8-23(31)28-21(16)14-19/h3-4,6-7,9-10,13-14H,1-2,5,8,11-12H2,(H,28,31)(H,26,27,29)","LERPKMSQPRBRIA-UHFFFAOYSA-N",null,"<30",{"$nulls":4},7.5]
["D16276",18185,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278386","O=C1CN(CCOc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)CCN1","InChI=1S/C29H33N9O3/c30-16-22-15-21(1-6-26(22)41-14-13-36-8-7-31-27(39)17-36)28-32-20-33-29(35-28)34-23-2-4-24(5-3-23)37-9-11-38(12-10-37)25-18-40-19-25/h1-6,15,20,25H,7-14,17-19H2,(H,31,39)(H,32,33,34,35)","AMPDQMWGWGCUOS-UHFFFAOYSA-N",null,662000,{"$nulls":4},7]
["D16277",14838,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276889","O=C1COc2cc(ccc2N1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C27H22N4O4/c28-14-18-11-16(2-4-24(18)35-19-6-9-33-10-7-19)20-5-8-29-27-21(20)13-23(31-27)17-1-3-22-25(12-17)34-15-26(32)30-22/h1-5,8,11-13,19H,6-7,9-10,15H2,(H,29,31)(H,30,32)","UBBGWCKRFYZCTO-UHFFFAOYSA-N",null,6.28]
["D16278",15573,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148080","O=C1Cc2cc(Nc3nccc(n3)-c3ccc(N4CCCC4)c(c3)C#N)ccc2N1","InChI=1S/C23H20N6O/c24-14-17-11-15(3-6-21(17)29-9-1-2-10-29)20-7-8-25-23(28-20)26-18-4-5-19-16(12-18)13-22(30)27-19/h3-8,11-12H,1-2,9-10,13H2,(H,27,30)(H,25,26,28)","DHPSFJYFPJRCTN-UHFFFAOYSA-N",null,"<30",{"$nulls":4},7.5]
["D16279",3761,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM47574","O=C1N(CCc2c[nH]c3ccccc23)\\C(S\\C1=C/c1ccc(o1)N1CCOCC1)=N\\c1ccccc1","InChI=1S/C28H26N4O3S/c33-27-25(18-22-10-11-26(35-22)31-14-16-34-17-15-31)36-28(30-21-6-2-1-3-7-21)32(27)13-12-20-19-29-24-9-5-4-8-23(20)24/h1-11,18-19,29H,12-17H2/b25-18-,30-28-","FTOJURKURBDWJH-HVDWSURWSA-N",{"$nulls":3},9164]
["D16280",3861,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM47902","O=C1N(C\\C=C\\c2ccccc2)c2ccccc2C1=O","InChI=1S/C17H13NO2/c19-16-14-10-4-5-11-15(14)18(17(16)20)12-6-9-13-7-2-1-3-8-13/h1-11H,12H2/b9-6+","OJMNUQNZECRSCJ-RMKNXTFCSA-N",{"$nulls":3},">350000"]
["D16281",17788,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153748","O=C1N=C(NCc2ccccn2)S\\C1=C/c1ccc2ncccc2c1","InChI=1S/C19H14N4OS/c24-18-17(11-13-6-7-16-14(10-13)4-3-9-21-16)25-19(23-18)22-12-15-5-1-2-8-20-15/h1-11H,12H2,(H,22,23,24)/b17-11-","VUMVELURNGOAFL-BOPFTXTBSA-N",null,">2.0e+4"]
["D16282",16965,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153754","O=C1N=C(NCc2cccs2)O\\C1=C/c1ccc2ncccc2c1","InChI=1S/C18H13N3O2S/c22-17-16(23-18(21-17)20-11-14-4-2-8-24-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)/b16-10-","RVOPXDLRTRUOFB-YBEGLDIGSA-N",null,1030]
["D16283",17570,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153752","O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)S\\C1=C/c1ccc2ncccc2c1","InChI=1S/C22H17N3OS/c26-21-20(12-14-8-9-18-16(11-14)7-4-10-23-18)27-22(25-21)24-19-13-17(19)15-5-2-1-3-6-15/h1-12,17,19H,13H2,(H,24,25,26)/b20-12-/t17-,19+/m0/s1","FITGAYHGSUWBQP-VBNMPBEYSA-N",null,6090]
["D16284",12346,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM63757","O=C1NC(=O)C(=NNc2ccc3OCCOc3c2)C(=O)N1","InChI=1S/C12H10N4O5/c17-10-9(11(18)14-12(19)13-10)16-15-6-1-2-7-8(5-6)21-4-3-20-7/h1-2,5,15H,3-4H2,(H2,13,14,17,18,19)","SXZFSLFVXURLQG-UHFFFAOYSA-N",null,">35903"]
["D16285",15386,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278385","O=C1NCC(COc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)O1","InChI=1S/C27H28N8O4/c28-12-19-11-18(1-6-24(19)38-16-23-13-29-27(36)39-23)25-30-17-31-26(33-25)32-20-2-4-21(5-3-20)34-7-9-35(10-8-34)22-14-37-15-22/h1-6,11,17,22-23H,7-10,13-16H2,(H,29,36)(H,30,31,32,33)","DPNMQGZMJZQTAL-UHFFFAOYSA-N",null,21]
["D16286",16925,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277032","O=C1NCc2cc(ccc12)-c1cc2c(ncnc2[nH]1)-c1ccc2C(=O)NCc2c1","InChI=1S/C22H15N5O2/c28-21-15-3-1-11(5-13(15)8-23-21)18-7-17-19(25-10-26-20(17)27-18)12-2-4-16-14(6-12)9-24-22(16)29/h1-7,10H,8-9H2,(H,23,28)(H,24,29)(H,25,26,27)","QZLCSJKQXXMWTE-UHFFFAOYSA-N",null,1000]
["D16287",16924,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277030","O=C1NCc2cc(ccc12)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C24H21N5O2/c30-24-19-6-3-16(11-17(19)13-25-24)22-20-12-21(28-23(20)27-14-26-22)15-1-4-18(5-2-15)29-7-9-31-10-8-29/h1-6,11-12,14H,7-10,13H2,(H,25,30)(H,26,27,28)","SQYGDCGAPWVOBG-UHFFFAOYSA-N",null,1000]
["D16288",15051,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276888","O=C1NCc2ccc(cc12)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C27H22N4O3/c28-14-19-11-16(3-4-25(19)34-20-6-9-33-10-7-20)21-5-8-29-26-23(21)13-24(31-26)17-1-2-18-15-30-27(32)22(18)12-17/h1-5,8,11-13,20H,6-7,9-10,15H2,(H,29,31)(H,30,32)","OBHZMJMAXQVQDH-UHFFFAOYSA-N",null,9.62]
["D16289",16345,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153742","O=C1Nc2ccc3ncsc3c2\\C1=C\\Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1","InChI=1S/C21H15N5O3S2/c27-21-15(19-16(25-21)8-9-17-20(19)30-12-24-17)11-23-13-4-6-14(7-5-13)31(28,29)26-18-3-1-2-10-22-18/h1-12,23H,(H,22,26)(H,25,27)/b15-11-","GCYXEGSPUDSZJY-PTNGSMBKSA-N",null,170]
["D16290",32181,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43620","O=C1Nc2ccccc2\\C1=C(\\C#N)c1nc2ccccc2s1","InChI=1S/C17H9N3OS/c18-9-11(17-20-13-7-3-4-8-14(13)22-17)15-10-5-1-2-6-12(10)19-16(15)21/h1-8H,(H,19,21)/b15-11+","IJOAATFMNIWUIY-RVDMUPIBSA-N",{"$nulls":3},">55700"]
["D16291",31420,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","PITSLRE serine/threonine-protein kinase CDC2L1","Homo sapiens","BDBM7392","O=C1Nc2ccccc2\\C1=C1\\Nc2ccccc2C1=O","InChI=1S/C16H10N2O2/c19-15-10-6-2-4-8-12(10)17-14(15)13-9-5-1-3-7-11(9)18-16(13)20/h1-8,17H,(H,18,20)/b14-13-","CRDNMYFJWFXOCH-YPKPFQOOSA-N",null,2200]
["D16292",17762,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277058","O=CN1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(nc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C28H27N7O3/c29-16-21-15-20(3-6-24(21)38-23-7-9-34(18-36)10-8-23)25-26-28(31-17-30-25)33-27(32-26)19-1-4-22(5-2-19)35-11-13-37-14-12-35/h1-6,15,17-18,23H,7-14H2,(H,30,31,32,33)","LGLRGOQUGLBUQU-UHFFFAOYSA-N",null,2.25]
["D16293",17583,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277873","O=CN1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H30N8O3/c29-14-21-13-20(1-6-26(21)39-25-7-8-34(15-25)19-37)27-30-18-31-28(33-27)32-22-2-4-23(5-3-22)35-9-11-36(12-10-35)24-16-38-17-24/h1-6,13,18-19,24-25H,7-12,15-17H2,(H,30,31,32,33)/t25-/m1/s1","VRDKOCIYNNNRHX-RUZDIDTESA-N",null,7000,{"$nulls":4},7]
["D16294",15445,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277829","O=CNCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C31H35N9O4/c32-16-23-15-22(1-6-28(23)44-27-7-9-40(10-8-27)29(42)17-33-21-41)30-34-20-35-31(37-30)36-24-2-4-25(5-3-24)38-11-13-39(14-12-38)26-18-43-19-26/h1-6,15,20-21,26-27H,7-14,17-19H2,(H,33,41)(H,34,35,36,37)","IKRZFFRZBMXICR-UHFFFAOYSA-N",null,26]
["D16295",3710,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50388941","O=NC1[C@@H]2C[C@@]2(Oc2ccccc12)C(=O)Nc1ccccn1","InChI=1S/C16H13N3O3/c20-15(18-13-7-3-4-8-17-13)16-9-11(16)14(19-21)10-5-1-2-6-12(10)22-16/h1-8,11,14H,9H2,(H,17,18,20)/t11-,14?,16-/m0/s1","BYHNFRUAWWJVKC-IPGJNNTFSA-N",{"$nulls":3},">30000"]
["D16296",4277,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM56109","O=P(C(N1CCOCC1)c1c[nH]c2ccccc12)(N1CCOCC1)N1CCOCC1","InChI=1S/C21H31N4O4P/c26-30(24-7-13-28-14-8-24,25-9-15-29-16-10-25)21(23-5-11-27-12-6-23)19-17-22-20-4-2-1-3-18(19)20/h1-4,17,21-22H,5-16H2","ALRMUAGBCZVUJC-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16297",3966,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66873","O=S(=O)(N1CCC(CC1)N1CCCCC1)c1ccc(cc1)C#N","InChI=1S/C17H23N3O2S/c18-14-15-4-6-17(7-5-15)23(21,22)20-12-8-16(9-13-20)19-10-2-1-3-11-19/h4-7,16H,1-3,8-13H2","REZUHORUFJJWPX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16298",32039,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46338","O=S(=O)(N1CCC(CC1)c1nc2ccccc2s1)c1ccc2OCCOc2c1","InChI=1S/C20H20N2O4S2/c23-28(24,15-5-6-17-18(13-15)26-12-11-25-17)22-9-7-14(8-10-22)20-21-16-3-1-2-4-19(16)27-20/h1-6,13-14H,7-12H2","GEMOCDSTDIAJGI-UHFFFAOYSA-N",null,">55700"]
["D16299",32339,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396693","O=S(=O)(N1CCc2ccccc2C1)c1cccc(c1)-c1nnn[nH]1","InChI=1S/C16H15N5O2S/c22-24(23,21-9-8-12-4-1-2-5-14(12)11-21)15-7-3-6-13(10-15)16-17-19-20-18-16/h1-7,10H,8-9,11H2,(H,17,18,19,20)","OAHSGVQFSYIBJH-UHFFFAOYSA-N",null,">30000"]
["D16300",12369,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42900","O=S(=O)(c1nc(oc1N1CCOCC1)-c1ccco1)c1ccccc1","InChI=1S/C17H16N2O5S/c20-25(21,13-5-2-1-3-6-13)16-17(19-8-11-22-12-9-19)24-15(18-16)14-7-4-10-23-14/h1-7,10H,8-9,11-12H2","GQRIGIHZUQUDAO-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D16301",4336,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM37114","O=S1(=O)C=C(Sc2nc3ccccc3s2)c2ccccc12","InChI=1S/C15H9NO2S3/c17-21(18)9-13(10-5-1-4-8-14(10)21)20-15-16-11-6-2-3-7-12(11)19-15/h1-9H","BKZOIKUBPIWBKV-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16302",4342,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM31072","O=S1(=O)C=C(Sc2nnc(o2)-c2ccccc2)c2ccccc12","InChI=1S/C16H10N2O3S2/c19-23(20)10-13(12-8-4-5-9-14(12)23)22-16-18-17-15(21-16)11-6-2-1-3-7-11/h1-10H","RGXPNQXTNFLPRE-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16303",15133,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM375545","O=S1(=O)CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)C2CCN(CC2)C2COC2)n1","InChI=1S/C29H32N6O4S/c30-16-23-15-22(3-6-27(23)39-26-9-13-40(36,37)14-10-26)28-31-19-32-29(34-28)33-24-4-1-20(2-5-24)21-7-11-35(12-8-21)25-17-38-18-25/h1-6,15,19,21,25-26H,7-14,17-18H2,(H,31,32,33,34)","RTLHVWFETKCJMG-UHFFFAOYSA-N",null,12]
["D16304",15024,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277795","O=S1(=O)CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H31N7O4S/c29-16-21-15-20(1-6-26(21)39-25-7-13-40(36,37)14-8-25)27-30-19-31-28(33-27)32-22-2-4-23(5-3-22)34-9-11-35(12-10-34)24-17-38-18-24/h1-6,15,19,24-25H,7-14,17-18H2,(H,30,31,32,33)","LAHRVRATNQJNBP-UHFFFAOYSA-N",null,9]
["D16305",14580,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277048","O=S1(=O)CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C28H27N5O4S/c29-17-21-15-20(3-6-26(21)37-23-7-13-38(34,35)14-8-23)27-24-16-25(32-28(24)31-18-30-27)19-1-4-22(5-2-19)33-9-11-36-12-10-33/h1-6,15-16,18,23H,7-14H2,(H,30,31,32)","YUYWEMINLXEHCX-UHFFFAOYSA-N",null,3.82]
["D16306",17123,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277732","O=S1(=O)CCN(CC1)c1ccc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cc1","InChI=1S/C25H26N6O4S/c26-16-19-15-18(1-6-23(19)35-22-7-11-34-12-8-22)24-27-17-28-25(30-24)29-20-2-4-21(5-3-20)31-9-13-36(32,33)14-10-31/h1-6,15,17,22H,7-14H2,(H,27,28,29,30)","WEIINZDVEDDFAB-UHFFFAOYSA-N",null,2000,{"$nulls":4},7]
["D16307",15383,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM375300","O=S1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H31N7O3S/c29-16-21-15-20(1-6-26(21)38-25-7-13-39(36)14-8-25)27-30-19-31-28(33-27)32-22-2-4-23(5-3-22)34-9-11-35(12-10-34)24-17-37-18-24/h1-6,15,19,24-25H,7-14,17-18H2,(H,30,31,32,33)","KVIOQEZGURPUCC-UHFFFAOYSA-N",null,21]
["D16308",15323,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278055","O=c1[nH]c2cc(Nc3ncnc(n3)-c3ccc(OC4CCOCC4)c(c3)C#N)ccc2o1","InChI=1S/C22H18N6O4/c23-11-14-9-13(1-3-18(14)31-16-5-7-30-8-6-16)20-24-12-25-21(28-20)26-15-2-4-19-17(10-15)27-22(29)32-19/h1-4,9-10,12,16H,5-8H2,(H,27,29)(H,24,25,26,28)","UVPLHKWZLRJFSX-UHFFFAOYSA-N",null,18]
["D16309",12448,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42961","O=c1[nH]n(-c2ccccc2)c(=O)c2ccccc12","InChI=1S/C14H10N2O2/c17-13-11-8-4-5-9-12(11)14(18)16(15-13)10-6-2-1-3-7-10/h1-9H,(H,15,17)","DHORJGJIZSYQQV-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D16310",31280,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Prolyl 3-hydroxylase OGFOD1","Homo sapiens","BDBM118339","O=c1c(c[nH]n1-c1cc(ncn1)N1CCOCC1)-n1ccnn1","InChI=1S/C13H14N8O2/c22-13-10(20-2-1-16-18-20)8-17-21(13)12-7-11(14-9-15-12)19-3-5-23-6-4-19/h1-2,7-9,17H,3-6H2","IJMBOKOTALXLKS-UHFFFAOYSA-N",null,"<1000"]
["D16311",3489,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565017","O=c1c2CCC(Cc2cnn1-c1ccccn1)c1cccc(OC2CC2)c1","InChI=1S/C22H21N3O2/c26-22-20-10-7-16(15-4-3-5-19(13-15)27-18-8-9-18)12-17(20)14-24-25(22)21-6-1-2-11-23-21/h1-6,11,13-14,16,18H,7-10,12H2","YIPOJYXUJLSWOD-UHFFFAOYSA-N",null,"<500"]
["D16312",3582,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565014","O=c1c2CCC(Cc2cnn1-c1ccccn1)c1cccc(c1)C1CC1","InChI=1S/C22H21N3O/c26-22-20-10-9-18(17-5-3-4-16(12-17)15-7-8-15)13-19(20)14-24-25(22)21-6-1-2-11-23-21/h1-6,11-12,14-15,18H,7-10,13H2","NMJXPPVJDQHADF-UHFFFAOYSA-N",null,750]
["D16313",3500,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565036","O=c1c2CCC(Cc2cnn1-c1ncccn1)c1cccc(OC2CC2)c1","InChI=1S/C21H20N4O2/c26-20-19-8-5-15(14-3-1-4-18(12-14)27-17-6-7-17)11-16(19)13-24-25(20)21-22-9-2-10-23-21/h1-4,9-10,12-13,15,17H,5-8,11H2","WNTOPUCOZMYLHC-UHFFFAOYSA-N",null,"<500"]
["D16314",3579,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565037","O=c1c2CCC(Cc2cnn1-c1ncccn1)c1cccc(OC2CCCC2)c1","InChI=1S/C23H24N4O2/c28-22-21-10-9-17(13-18(21)15-26-27(22)23-24-11-4-12-25-23)16-5-3-8-20(14-16)29-19-6-1-2-7-19/h3-5,8,11-12,14-15,17,19H,1-2,6-7,9-10,13H2","JHEXVDCISIIMTH-UHFFFAOYSA-N",null,750]
["D16315",3505,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565043","O=c1c2CCC(Cc2cnn1-c1ncccn1)c1cccc2N(CCc12)C1CC1","InChI=1S/C23H23N5O/c29-22-19-8-5-15(13-16(19)14-26-28(22)23-24-10-2-11-25-23)18-3-1-4-21-20(18)9-12-27(21)17-6-7-17/h1-4,10-11,14-15,17H,5-9,12-13H2","LROZPEYPNWFESW-UHFFFAOYSA-N",null,"<500"]
["D16316",3527,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565074","O=c1c2CCC(Cc2cnn1-c1ncccn1)c1cccc2n(ccc12)C1CC1","InChI=1S/C23H21N5O/c29-22-19-8-5-15(13-16(19)14-26-28(22)23-24-10-2-11-25-23)18-3-1-4-21-20(18)9-12-27(21)17-6-7-17/h1-4,9-12,14-15,17H,5-8,13H2","KOFDQKXDMFHVIE-UHFFFAOYSA-N",null,"<500"]
["D16317",3537,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565089","O=c1c2CC[C@@H](Cc2cnn1-c1ncccn1)c1cccc2n(ccc12)C1CC1","InChI=1S/C23H21N5O/c29-22-19-8-5-15(13-16(19)14-26-28(22)23-24-10-2-11-25-23)18-3-1-4-21-20(18)9-12-27(21)17-6-7-17/h1-4,9-12,14-15,17H,5-8,13H2/t15-/m0/s1","KOFDQKXDMFHVIE-HNNXBMFYSA-N",null,"<500"]
["D16318",3584,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7","Homo sapiens","BDBM565088","O=c1c2CC[C@H](Cc2cnn1-c1ncccn1)c1cccc2n(ccc12)C1CC1","InChI=1S/C23H21N5O/c29-22-19-8-5-15(13-16(19)14-26-28(22)23-24-10-2-11-25-23)18-3-1-4-21-20(18)9-12-27(21)17-6-7-17/h1-4,9-12,14-15,17H,5-8,13H2/t15-/m1/s1","KOFDQKXDMFHVIE-OAHLLOKOSA-N",null,750]
["D16319",12393,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42917","O=c1cc(Cn2ccnc2)c2cc3CCCc3cc2o1","InChI=1S/C16H14N2O2/c19-16-8-13(9-18-5-4-17-10-18)14-6-11-2-1-3-12(11)7-15(14)20-16/h4-8,10H,1-3,9H2","XNTYGTIXNHKBCE-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D16320",15346,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277026","O=c1cc(cc[nH]1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C24H20N4O3/c25-14-17-11-15(1-2-22(17)31-18-5-9-30-10-6-18)19-4-8-27-24-20(19)13-21(28-24)16-3-7-26-23(29)12-16/h1-4,7-8,11-13,18H,5-6,9-10H2,(H,26,29)(H,27,28)","UDUUROZQLWGGJD-UHFFFAOYSA-N",null,19.3,{"$nulls":4},7]
["D16321",17046,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144132","O=c1ccc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)n[nH]1","InChI=1S/C20H18N6O3/c21-12-14-11-13(1-2-17(14)29-15-6-9-28-10-7-15)16-5-8-22-20(23-16)24-18-3-4-19(27)26-25-18/h1-5,8,11,15H,6-7,9-10H2,(H,26,27)(H,22,23,24,25)","FNKYBCOJEZQTSI-UHFFFAOYSA-N",null,1600,{"$nulls":4},7.5,"30.00 C"]
["D16322",15331,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277006","O=c1ccc(c[nH]1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C23H19N5O3/c24-11-16-9-14(1-3-20(16)31-17-5-7-30-8-6-17)22-18-10-19(28-23(18)27-13-26-22)15-2-4-21(29)25-12-15/h1-4,9-10,12-13,17H,5-8H2,(H,25,29)(H,26,27,28)","LZMAOONJSWWBEC-UHFFFAOYSA-N",null,18.9]
["D16323",12389,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM42913","O=c1n(CCCN2CCOCC2)c(nc2ccccc12)-c1ccccc1","InChI=1S/C21H23N3O2/c25-21-18-9-4-5-10-19(18)22-20(17-7-2-1-3-8-17)24(21)12-6-11-23-13-15-26-16-14-23/h1-5,7-10H,6,11-16H2","NFZRCUFUBRDVTD-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D16324",31749,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43553","O=c1n(Cc2ccco2)cnc2ccccc12","InChI=1S/C13H10N2O2/c16-13-11-5-1-2-6-12(11)14-9-15(13)8-10-4-3-7-17-10/h1-7,9H,8H2","IUWXBYWERSAMCL-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D16325",31879,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67135","O=c1n(Cc2nc(cs2)-c2ccc[nH]2)c(CN2CCOCC2)nc2ccccc12","InChI=1S/C21H21N5O2S/c27-21-15-4-1-2-5-16(15)23-19(12-25-8-10-28-11-9-25)26(21)13-20-24-18(14-29-20)17-6-3-7-22-17/h1-7,14,22H,8-13H2","XTKXDJTVQZGEPL-UHFFFAOYSA-N",null,40181]
["D16326",11990,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43122","O=c1oc2ccccc2cc1-c1cn2ccccc2n1","InChI=1S/C16H10N2O2/c19-16-12(9-11-5-1-2-6-14(11)20-16)13-10-18-8-4-3-7-15(18)17-13/h1-10H","IXPDWKSPNLAKQU-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D16327",4096,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM50161825","OC(=O)C(=C/c1c([nH]c2cc(Cl)cc(Cl)c12)C(O)=O)\\c1ccccc1","InChI=1S/C18H11Cl2NO4/c19-10-6-13(20)15-12(16(18(24)25)21-14(15)7-10)8-11(17(22)23)9-4-2-1-3-5-9/h1-8,21H,(H,22,23)(H,24,25)/b11-8-","LPWVUDLZUVBQGP-FLIBITNWSA-N",{"$nulls":3},">350000"]
["D16328",32340,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396663","OC(=O)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1","InChI=1S/C17H16N2O5S/c20-16(17(21)22)18-14-6-3-7-15(10-14)25(23,24)19-9-8-12-4-1-2-5-13(12)11-19/h1-7,10H,8-9,11H2,(H,18,20)(H,21,22)","WXTOAQMIJQFVOQ-UHFFFAOYSA-N",null,">30000"]
["D16329",36,"7dx1_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50118093","OC(=O)C(=O)c1ccc(O)cc1","InChI=1S/C8H6O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,9H,(H,11,12)","KXFJZKUFXHWWAJ-UHFFFAOYSA-N",null,">100000"]
["D16330",32,"7dx1_A",0.4,"Spike glycoprotein","Carnitine palmitoyltransferase 2","Homo sapiens","BDBM50403031","OC(=O)C(=O)c1ccc(OCCOc2ccc3ccccc3c2)s1","InChI=1S/C18H14O5S/c19-17(18(20)21)15-7-8-16(24-15)23-10-9-22-14-6-5-12-3-1-2-4-13(12)11-14/h1-8,11H,9-10H2,(H,20,21)","IANOEARWEWNMSC-UHFFFAOYSA-N",null,4700]
["D16331",12337,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM63792","OC(=O)C(CC(=O)c1ccccc1)Nc1ccc(Cl)cc1Cl","InChI=1S/C16H13Cl2NO3/c17-11-6-7-13(12(18)8-11)19-14(16(21)22)9-15(20)10-4-2-1-3-5-10/h1-8,14,19H,9H2,(H,21,22)","ROXPXIRBZRKPJV-UHFFFAOYSA-N",null,">35878"]
["D16332",712,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144347","OC(=O)C(CC1CCCNCC1)c1cnc[nH]1","InChI=1S/C12H19N3O2/c16-12(17)10(11-7-14-8-15-11)6-9-2-1-4-13-5-3-9/h7-10,13H,1-6H2,(H,14,15)(H,16,17)","INJCJHZOMQZWIL-UHFFFAOYSA-N",null,">20000"]
["D16333",717,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144315","OC(=O)C(CC1CCNC1)c1cnc[nH]1","InChI=1S/C10H15N3O2/c14-10(15)8(9-5-12-6-13-9)3-7-1-2-11-4-7/h5-8,11H,1-4H2,(H,12,13)(H,14,15)","INVOTOQAZAYERD-UHFFFAOYSA-N",null,">20000"]
["D16334",716,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144340","OC(=O)C(CC1CCNCC1)c1cnc[nH]1","InChI=1S/C11H17N3O2/c15-11(16)9(10-6-13-7-14-10)5-8-1-3-12-4-2-8/h6-9,12H,1-5H2,(H,13,14)(H,15,16)","DLGFDVPVEWXPED-UHFFFAOYSA-N",null,">20000"]
["D16335",710,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144328","OC(=O)C(CC1CNC1)c1cnc[nH]1","InChI=1S/C9H13N3O2/c13-9(14)7(1-6-2-10-3-6)8-4-11-5-12-8/h4-7,10H,1-3H2,(H,11,12)(H,13,14)","QOPLLDRZVJKFKZ-UHFFFAOYSA-N",null,">20000"]
["D16336",713,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144331","OC(=O)C(CCC1CCCNCC1)c1cnc[nH]1","InChI=1S/C13H21N3O2/c17-13(18)11(12-8-15-9-16-12)4-3-10-2-1-6-14-7-5-10/h8-11,14H,1-7H2,(H,15,16)(H,17,18)","GAIGLPJJMSVFPK-UHFFFAOYSA-N",null,">20000"]
["D16337",718,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144335","OC(=O)C(CCC1CCNC1)c1cnc[nH]1","InChI=1S/C11H17N3O2/c15-11(16)9(10-6-13-7-14-10)2-1-8-3-4-12-5-8/h6-9,12H,1-5H2,(H,13,14)(H,15,16)","JCLSZUPFUNWOHZ-UHFFFAOYSA-N",null,">20000"]
["D16338",711,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144345","OC(=O)C(CCC1CCNCC1)c1cnc[nH]1","InChI=1S/C12H19N3O2/c16-12(17)10(11-7-14-8-15-11)2-1-9-3-5-13-6-4-9/h7-10,13H,1-6H2,(H,14,15)(H,16,17)","VGONPUQQNFWWKY-UHFFFAOYSA-N",null,">20000"]
["D16339",714,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144344","OC(=O)C(CCC1CNC1)c1cnc[nH]1","InChI=1S/C10H15N3O2/c14-10(15)8(9-5-12-6-13-9)2-1-7-3-11-4-7/h5-8,11H,1-4H2,(H,12,13)(H,14,15)","UQXHMWXXCVCNPW-UHFFFAOYSA-N",null,">20000"]
["D16340",3876,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66798","OC(=O)C(CCCCNS(=O)(=O)c1ccc(F)cc1)NS(=O)(=O)c1ccc(F)cc1","InChI=1S/C18H20F2N2O6S2/c19-13-4-8-15(9-5-13)29(25,26)21-12-2-1-3-17(18(23)24)22-30(27,28)16-10-6-14(20)7-11-16/h4-11,17,21-22H,1-3,12H2,(H,23,24)","WCQZXULHSJMWNH-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16341",611,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201434","OC(=O)C(CS)C1CCCNC1","InChI=1S/C8H15NO2S/c10-8(11)7(5-12)6-2-1-3-9-4-6/h6-7,9,12H,1-5H2,(H,10,11)","ZEKJYPSRDZCIDP-UHFFFAOYSA-N",null,445]
["D16342",13817,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19296034","OC(=O)C(CS)C1CCCNC2","InChI=1S/C8H15NO2S/c10-8(11)7(5-12)6-2-1-3-9-4-6/h6-7,9,12H,1-5H2,(H,10,11)","ZEKJYPSRDZCIDP-UHFFFAOYSA-N",-27583.7455069768,2420.48299423598,33744.1537224758,{"$nulls":3},6.73735789018048]
["D16343",510,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201428","OC(=O)C(CS)C1CCNCC1","InChI=1S/C8H15NO2S/c10-8(11)7(5-12)6-1-3-9-4-2-6/h6-7,9,12H,1-5H2,(H,10,11)","AYOUKDACKXEDFA-UHFFFAOYSA-N",null,37]
["D16344",13716,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19276335","OC(=O)C(CS)C1CCNCC2","InChI=1S/C8H15NO2S/c10-8(11)7(5-12)6-1-3-9-4-2-6/h6-7,9,12H,1-5H2,(H,10,11)","AYOUKDACKXEDFA-UHFFFAOYSA-N",-17265.5467604525,69.2521627792529,33680.0703137317,{"$nulls":3},6.73731331162439]
["D16345",575,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201437","OC(=O)C(CS)CC1CCCNC1","InChI=1S/C9H17NO2S/c11-9(12)8(6-13)4-7-2-1-3-10-5-7/h7-8,10,13H,1-6H2,(H,11,12)","XILWRBHKVRYWMD-UHFFFAOYSA-N",null,129]
["D16346",13781,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19289012","OC(=O)C(CS)CC1CCCNC2","InChI=1S/C9H17NO2S/c11-9(12)8(6-13)4-7-2-1-3-10-5-7/h7-8,10,13H,1-6H2,(H,11,12)","XILWRBHKVRYWMD-UHFFFAOYSA-N",-23905.9716963345,300.773115220483,33721.3121114383,{"$nulls":3},6.73734200079415]
["D16347",578,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50201435","OC(=O)C(CS)CC1CCNCC1","InChI=1S/C9H17NO2S/c11-9(12)8(6-13)5-7-1-3-10-4-2-7/h7-8,10,13H,1-6H2,(H,11,12)","ZYVSJXROQJSTDA-UHFFFAOYSA-N",null,139]
["D16348",13784,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19289597","OC(=O)C(CS)CC1CCNCC2","InChI=1S/C9H17NO2S/c11-9(12)8(6-13)5-7-1-3-10-4-2-7/h7-8,10,13H,1-6H2,(H,11,12)","ZYVSJXROQJSTDA-UHFFFAOYSA-N",-24212.4528472213,313.941678520626,33723.2155790247,{"$nulls":3},6.73734332490968]
["D16349",31727,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43650","OC(=O)C(Cc1c[nH]c2ccccc12)N1Cc2ccccc2C1=O","InChI=1S/C19H16N2O3/c22-18-15-7-2-1-5-12(15)11-21(18)17(19(23)24)9-13-10-20-16-8-4-3-6-14(13)16/h1-8,10,17,20H,9,11H2,(H,23,24)","UCIVYNVXNNEYDV-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D16350",672,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50144329","OC(=O)C(Cc1ccc2nccn2c1)c1cnc[nH]1","InChI=1S/C13H12N4O2/c18-13(19)10(11-6-14-8-16-11)5-9-1-2-12-15-3-4-17(12)7-9/h1-4,6-8,10H,5H2,(H,14,16)(H,18,19)","LRSURPFUBNBRFH-UHFFFAOYSA-N",null,3300]
["D16351",13878,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDM19307931","OC(=O)C(Cc1ccc2nccn2c1)c1cnc[nH]2","InChI=1S/C13H12N4O2/c18-13(19)10(11-6-14-8-16-11)5-9-1-2-12-15-3-4-17(12)7-9/h1-4,6-8,10H,5H2,(H,14,16)(H,18,19)","LRSURPFUBNBRFH-UHFFFAOYSA-N",-33815.528908343,10036.2801631442,33782.8575634004,{"$nulls":3},6.73738481386287]
["D16352",750,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50100009","OC(=O)C(Cc1ccccc1)c1cnc[nH]1","InChI=1S/C12H12N2O2/c15-12(16)10(11-7-13-8-14-11)6-9-4-2-1-3-5-9/h1-5,7-8,10H,6H2,(H,13,14)(H,15,16)","SDEFAJDBJOMGJE-UHFFFAOYSA-N",null,">100000"]
["D16353",719,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575746","OC(=O)C(F)(F)F.CCCCCN1CCP(O)(=O)C(CCCCN)(C1)C(O)=O","InChI=1S/C14H29N2O4P.C2HF3O2/c1-2-3-6-9-16-10-11-21(19,20)14(12-16,13(17)18)7-4-5-8-15;3-2(4,5)1(6)7/h2-12,15H2,1H3,(H,17,18)(H,19,20);(H,6,7)","GTJSIOCTVDRGGF-UHFFFAOYSA-N",null,20100]
["D16354",734,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575745","OC(=O)C(F)(F)F.CN1CCP(O)(=O)C(CCCCN)(C1)C(O)=O","InChI=1S/C10H21N2O4P.C2HF3O2/c1-12-6-7-17(15,16)10(8-12,9(13)14)4-2-3-5-11;3-2(4,5)1(6)7/h2-8,11H2,1H3,(H,13,14)(H,15,16);(H,6,7)","VDCVXOSANJZRMT-UHFFFAOYSA-N",null,">30000"]
["D16355",737,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575729","OC(=O)C(F)(F)F.NCCCC1(CCCCP1(O)=O)C(O)=O","InChI=1S/C9H18NO4P.C2HF3O2/c10-6-3-5-9(8(11)12)4-1-2-7-15(9,13)14;3-2(4,5)1(6)7/h1-7,10H2,(H,11,12)(H,13,14);(H,6,7)","FFWSKXWONZITCN-UHFFFAOYSA-N",null,">30000"]
["D16356",741,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575726","OC(=O)C(F)(F)F.NCCCC1(CCCP1(O)=O)C(O)=O","InChI=1S/C8H16NO4P.C2HF3O2/c9-5-1-3-8(7(10)11)4-2-6-14(8,12)13;3-2(4,5)1(6)7/h1-6,9H2,(H,10,11)(H,12,13);(H,6,7)","OTIVHGRHVNBQDX-UHFFFAOYSA-N",null,">30000"]
["D16357",735,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575738","OC(=O)C(F)(F)F.NCCCC1(CN(Cc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C15H23N2O4P.C2HF3O2/c16-8-4-7-15(14(18)19)12-17(9-10-22(15,20)21)11-13-5-2-1-3-6-13;3-2(4,5)1(6)7/h1-3,5-6H,4,7-12,16H2,(H,18,19)(H,20,21);(H,6,7)","JSXJTBAFMDDNGE-UHFFFAOYSA-N",null,">30000"]
["D16358",667,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575735","OC(=O)C(F)(F)F.NCCCCC1(CCCCCCP1(O)=O)C(O)=O","InChI=1S/C12H24NO4P.C2HF3O2/c13-9-5-4-8-12(11(14)15)7-3-1-2-6-10-18(12,16)17;3-2(4,5)1(6)7/h1-10,13H2,(H,14,15)(H,16,17);(H,6,7)","JLQXSHRZLZSFOX-UHFFFAOYSA-N",null,2600]
["D16359",679,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575733","OC(=O)C(F)(F)F.NCCCCC1(CCCCCP1(O)=O)C(O)=O","InChI=1S/C11H22NO4P.C2HF3O2/c12-8-4-3-7-11(10(13)14)6-2-1-5-9-17(11,15)16;3-2(4,5)1(6)7/h1-9,12H2,(H,13,14)(H,15,16);(H,6,7)","JZGRPJDDVVMQLZ-UHFFFAOYSA-N",null,5000]
["D16360",702,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575730","OC(=O)C(F)(F)F.NCCCCC1(CCCCP1(O)=O)C(O)=O","InChI=1S/C10H20NO4P.C2HF3O2/c11-7-3-1-5-10(9(12)13)6-2-4-8-16(10,14)15;3-2(4,5)1(6)7/h1-8,11H2,(H,12,13)(H,14,15);(H,6,7)","QAYYIGFIHMZQCZ-UHFFFAOYSA-N",null,11700]
["D16361",709,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575727","OC(=O)C(F)(F)F.NCCCCC1(CCCP1(O)=O)C(O)=O","InChI=1S/C9H18NO4P.C2HF3O2/c10-6-2-1-4-9(8(11)12)5-3-7-15(9,13)14;3-2(4,5)1(6)7/h1-7,10H2,(H,11,12)(H,13,14);(H,6,7)","MZQXZQRRRNTYIJ-UHFFFAOYSA-N",null,19000]
["D16362",733,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575747","OC(=O)C(F)(F)F.NCCCCC1(CN(CC2CCCCC2)CCP1(O)=O)C(O)=O","InChI=1S/C16H31N2O4P.C2HF3O2/c17-9-5-4-8-16(15(19)20)13-18(10-11-23(16,21)22)12-14-6-2-1-3-7-14;3-2(4,5)1(6)7/h14H,1-13,17H2,(H,19,20)(H,21,22);(H,6,7)","XWJHIWXVFDQHNS-UHFFFAOYSA-N",null,">30000"]
["D16363",732,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575749","OC(=O)C(F)(F)F.NCCCCC1(CN(CCCc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C18H29N2O4P.C2HF3O2/c19-11-5-4-10-18(17(21)22)15-20(13-14-25(18,23)24)12-6-9-16-7-2-1-3-8-16;3-2(4,5)1(6)7/h1-3,7-8H,4-6,9-15,19H2,(H,21,22)(H,23,24);(H,6,7)","WABNGSKCJVZLRR-UHFFFAOYSA-N",null,">30000"]
["D16364",695,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575748","OC(=O)C(F)(F)F.NCCCCC1(CN(CCc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C17H27N2O4P.C2HF3O2/c18-10-5-4-9-17(16(20)21)14-19(12-13-24(17,22)23)11-8-15-6-2-1-3-7-15;3-2(4,5)1(6)7/h1-3,6-7H,4-5,8-14,18H2,(H,20,21)(H,22,23);(H,6,7)","ZOTFJHNLCQTIEX-UHFFFAOYSA-N",null,8700]
["D16365",592,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575739","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C16H25N2O4P.C2HF3O2/c17-9-5-4-8-16(15(19)20)13-18(10-11-23(16,21)22)12-14-6-2-1-3-7-14;3-2(4,5)1(6)7/h1-3,6-7H,4-5,8-13,17H2,(H,19,20)(H,21,22);(H,6,7)","UXRVDUNGIGAHRC-UHFFFAOYSA-N",null,200]
["D16366",617,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575752","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccccn2)CCP1(O)=O)C(O)=O","InChI=1S/C15H24N3O4P.C2HF3O2/c16-7-3-2-6-15(14(19)20)12-18(9-10-23(15,21)22)11-13-5-1-4-8-17-13;3-2(4,5)1(6)7/h1,4-5,8H,2-3,6-7,9-12,16H2,(H,19,20)(H,21,22);(H,6,7)","RLTFNRHVYOETOJ-UHFFFAOYSA-N",null,500]
["D16367",694,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575751","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2cccnc2)CCP1(O)=O)C(O)=O","InChI=1S/C15H24N3O4P.C2HF3O2/c16-6-2-1-5-15(14(19)20)12-18(8-9-23(15,21)22)11-13-4-3-7-17-10-13;3-2(4,5)1(6)7/h3-4,7,10H,1-2,5-6,8-9,11-12,16H2,(H,19,20)(H,21,22);(H,6,7)","YWJYYQOJGKUZDS-UHFFFAOYSA-N",null,8000]
["D16368",648,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575753","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccco2)CCP1(O)=O)C(O)=O","InChI=1S/C14H23N2O5P.C2HF3O2/c15-6-2-1-5-14(13(17)18)11-16(7-9-22(14,19)20)10-12-4-3-8-21-12;3-2(4,5)1(6)7/h3-4,8H,1-2,5-7,9-11,15H2,(H,17,18)(H,19,20);(H,6,7)","NHUTWXDCZGPHKX-UHFFFAOYSA-N",null,1500]
["D16369",731,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575750","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccncc2)CCP1(O)=O)C(O)=O","InChI=1S/C15H24N3O4P.C2HF3O2/c16-6-2-1-5-15(14(19)20)12-18(9-10-23(15,21)22)11-13-3-7-17-8-4-13;3-2(4,5)1(6)7/h3-4,7-8H,1-2,5-6,9-12,16H2,(H,19,20)(H,21,22);(H,6,7)","QEBCYXQAFHKXPG-UHFFFAOYSA-N",null,">30000"]
["D16370",639,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575754","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccoc2)CCP1(O)=O)C(O)=O","InChI=1S/C14H23N2O5P.C2HF3O2/c15-5-2-1-4-14(13(17)18)11-16(6-8-22(14,19)20)9-12-3-7-21-10-12;3-2(4,5)1(6)7/h3,7,10H,1-2,4-6,8-9,11,15H2,(H,17,18)(H,19,20);(H,6,7)","WAYVWYLTVVVTBB-UHFFFAOYSA-N",null,1100]
["D16371",589,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575755","OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccsc2)CCP1(O)=O)C(O)=O","InChI=1S/C14H23N2O4PS.C2HF3O2/c15-5-2-1-4-14(13(17)18)11-16(6-7-21(14,19)20)9-12-3-8-22-10-12;3-2(4,5)1(6)7/h3,8,10H,1-2,4-7,9,11,15H2,(H,17,18)(H,19,20);(H,6,7)","NUTGTRXBOUVQLS-UHFFFAOYSA-N",null,200]
["D16372",697,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575744","OC(=O)C(F)(F)F.NCCCCC1(CNCCP1(O)=O)C(O)=O","InChI=1S/C9H19N2O4P.C2HF3O2/c10-4-2-1-3-9(8(12)13)7-11-5-6-16(9,14)15;3-2(4,5)1(6)7/h11H,1-7,10H2,(H,12,13)(H,14,15);(H,6,7)","SNYGSVSENJFZFI-UHFFFAOYSA-N",null,9300]
["D16373",653,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575737","OC(=O)C(F)(F)F.NCCCCCC1(CCCCCCCP1(O)=O)C(O)=O","InChI=1S/C14H28NO4P.C2HF3O2/c15-11-7-4-6-10-14(13(16)17)9-5-2-1-3-8-12-20(14,18)19;3-2(4,5)1(6)7/h1-12,15H2,(H,16,17)(H,18,19);(H,6,7)","YKJIFLVZYLYOAK-UHFFFAOYSA-N",null,1500]
["D16374",641,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575736","OC(=O)C(F)(F)F.NCCCCCC1(CCCCCCP1(O)=O)C(O)=O","InChI=1S/C13H26NO4P.C2HF3O2/c14-10-6-3-5-9-13(12(15)16)8-4-1-2-7-11-19(13,17)18;3-2(4,5)1(6)7/h1-11,14H2,(H,15,16)(H,17,18);(H,6,7)","NHOABYGHHQAXAK-UHFFFAOYSA-N",null,1100]
["D16375",660,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575734","OC(=O)C(F)(F)F.NCCCCCC1(CCCCCP1(O)=O)C(O)=O","InChI=1S/C12H24NO4P.C2HF3O2/c13-9-5-1-3-7-12(11(14)15)8-4-2-6-10-18(12,16)17;3-2(4,5)1(6)7/h1-10,13H2,(H,14,15)(H,16,17);(H,6,7)","QMULMHHDRFZRDX-UHFFFAOYSA-N",null,1800]
["D16376",678,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575731","OC(=O)C(F)(F)F.NCCCCCC1(CCCCP1(O)=O)C(O)=O","InChI=1S/C11H22NO4P.C2HF3O2/c12-8-4-1-2-6-11(10(13)14)7-3-5-9-17(11,15)16;3-2(4,5)1(6)7/h1-9,12H2,(H,13,14)(H,15,16);(H,6,7)","QAGLSNXWEACUTA-UHFFFAOYSA-N",null,5000]
["D16377",708,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575728","OC(=O)C(F)(F)F.NCCCCCC1(CCCP1(O)=O)C(O)=O","InChI=1S/C10H20NO4P.C2HF3O2/c11-7-3-1-2-5-10(9(12)13)6-4-8-16(10,14)15;3-2(4,5)1(6)7/h1-8,11H2,(H,12,13)(H,14,15);(H,6,7)","XBJIYYNAOAZQNT-UHFFFAOYSA-N",null,18000]
["D16378",591,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575740","OC(=O)C(F)(F)F.NCCCCCC1(CN(Cc2ccccc2)CCP1(O)=O)C(O)=O","InChI=1S/C17H27N2O4P.C2HF3O2/c18-10-6-2-5-9-17(16(20)21)14-19(11-12-24(17,22)23)13-15-7-3-1-4-8-15;3-2(4,5)1(6)7/h1,3-4,7-8H,2,5-6,9-14,18H2,(H,20,21)(H,22,23);(H,6,7)","JBPSAJWTCSGNMX-UHFFFAOYSA-N",null,200]
["D16379",736,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM50575732","OC(=O)C(F)(F)F.NCCCCCCC1(CCCCP1(O)=O)C(O)=O","InChI=1S/C12H24NO4P.C2HF3O2/c13-9-5-2-1-3-7-12(11(14)15)8-4-6-10-18(12,16)17;3-2(4,5)1(6)7/h1-10,13H2,(H,14,15)(H,16,17);(H,6,7)","XDGARBGWYWYZQY-UHFFFAOYSA-N",null,">30000"]
["D16380",31774,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43573","OC(=O)C1CC=CCC1C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCc2ccccc12","InChI=1S/C23H24N2O5S/c26-22(19-8-2-3-9-20(19)23(27)28)24-17-11-13-18(14-12-17)31(29,30)25-15-5-7-16-6-1-4-10-21(16)25/h1-4,6,10-14,19-20H,5,7-9,15H2,(H,24,26)(H,27,28)","IBGUAUZZMLDYFF-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D16381",32325,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396696","OC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(cc1)-c1cccc(c1)-c1ccccc1","InChI=1S/C24H23NO4S/c26-24(27)22-10-5-15-25(17-22)30(28,29)23-13-11-19(12-14-23)21-9-4-8-20(16-21)18-6-2-1-3-7-18/h1-4,6-9,11-14,16,22H,5,10,15,17H2,(H,26,27)","KETPPLLAPQURIV-UHFFFAOYSA-N",null,">30000"]
["D16382",32328,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396697","OC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(cc1)-c1ccccc1Cl","InChI=1S/C18H18ClNO4S/c19-17-6-2-1-5-16(17)13-7-9-15(10-8-13)25(23,24)20-11-3-4-14(12-20)18(21)22/h1-2,5-10,14H,3-4,11-12H2,(H,21,22)","LWZYGSMEBIYHQE-UHFFFAOYSA-N",null,">30000"]
["D16383",32326,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396687","OC(=O)C1CCCN(C1)S(=O)(=O)c1ccc2cc3ccccc3cc2c1","InChI=1S/C20H19NO4S/c22-20(23)17-6-3-9-21(13-17)26(24,25)19-8-7-16-10-14-4-1-2-5-15(14)11-18(16)12-19/h1-2,4-5,7-8,10-12,17H,3,6,9,13H2,(H,22,23)","NVUYTSUMYCCEEU-UHFFFAOYSA-N",null,">30000"]
["D16384",32327,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396688","OC(=O)C1CCCN(C1)S(=O)(=O)c1cccc(c1)-c1ccccc1Cl","InChI=1S/C18H18ClNO4S/c19-17-9-2-1-8-16(17)13-5-3-7-15(11-13)25(23,24)20-10-4-6-14(12-20)18(21)22/h1-3,5,7-9,11,14H,4,6,10,12H2,(H,21,22)","SBFWCFHPBVYIJM-UHFFFAOYSA-N",null,">30000"]
["D16385",32276,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396699","OC(=O)C1CCN(C1)S(=O)(=O)c1ccc2ccccc2c1","InChI=1S/C15H15NO4S/c17-15(18)13-7-8-16(10-13)21(19,20)14-6-5-11-3-1-2-4-12(11)9-14/h1-6,9,13H,7-8,10H2,(H,17,18)","PSGCTJNLVUTDIM-UHFFFAOYSA-N",null,">30000"]
["D16386",654,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2 isoform A","Homo sapiens","BDBM50121929","OC(=O)CC(Cc1ccccc1)C(O)=O","InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)","GTOFKXZQQDSVFH-UHFFFAOYSA-N",null,1600]
["D16387",4165,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67049","OC(=O)CCC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCCCC1)c1ccccc1","InChI=1S/C22H25N3O5S/c26-21(27)13-12-20(17-8-3-1-4-9-17)23-24-22(28)18-10-7-11-19(16-18)31(29,30)25-14-5-2-6-15-25/h1,3-4,7-11,16H,2,5-6,12-15H2,(H,24,28)(H,26,27)","ZOBWWXCAAXOJSD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16388",12019,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43150","OC(=O)CCCC(=O)Nc1cc(ccc1O)[N+]([O-])=O","InChI=1S/C11H12N2O6/c14-9-5-4-7(13(18)19)6-8(9)12-10(15)2-1-3-11(16)17/h4-6,14H,1-3H2,(H,12,15)(H,16,17)","ZZUDSUAHNMJDLR-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D16389",16838,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM373538","OC(=O)CCCCCN1C(=O)N\\C(=C/c2c(NCc3ccco3)nc3ccccn3c2=O)C1=O","InChI=1S/C23H23N5O6/c29-19(30)9-2-1-4-11-28-22(32)17(25-23(28)33)13-16-20(24-14-15-7-6-12-34-15)26-18-8-3-5-10-27(18)21(16)31/h3,5-8,10,12-13,24H,1-2,4,9,11,14H2,(H,25,33)(H,29,30)/b17-13-","UTCYYEKLSXFISX-LGMDPLHJSA-N",null,870]
["D16390",12066,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM63772","OC(=O)CCN1C(=S)S\\C(=C/c2ccc(OCC=C)cc2)C1=O","InChI=1S/C16H15NO4S2/c1-2-9-21-12-5-3-11(4-6-12)10-13-15(20)17(16(22)23-13)8-7-14(18)19/h2-6,10H,1,7-9H2,(H,18,19)/b13-10-","AEZGVSCOIZTTBC-RAXLEYEMSA-N",null,3470]
["D16391",4571,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66522","OC(=O)CCN1C(=S)S\\C(=C\\c2ccncc2)C1=O","InChI=1S/C12H10N2O3S2/c15-10(16)3-6-14-11(17)9(19-12(14)18)7-8-1-4-13-5-2-8/h1-2,4-5,7H,3,6H2,(H,15,16)/b9-7+","UBLZDBJNBXCPKR-VQHVLOKHSA-N",{"$nulls":3},">350000"]
["D16392",3897,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66818","OC(=O)CCN1CCc2ccccc2C1c1ccncc1","InChI=1S/C17H18N2O2/c20-16(21)8-12-19-11-7-13-3-1-2-4-15(13)17(19)14-5-9-18-10-6-14/h1-6,9-10,17H,7-8,11-12H2,(H,20,21)","UZNOTGVPJYCZSU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16393",5011,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50314796","OC(=O)CCP(O)(=O)CCC(=N)C(O)=O","InChI=1S/C7H12NO6P/c8-5(7(11)12)1-3-15(13,14)4-2-6(9)10/h8H,1-4H2,(H,9,10)(H,11,12)(H,13,14)","QOVGSZPMPTXZHL-UHFFFAOYSA-N",{"$nulls":3},43000]
["D16394",356,"6zp2_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDBM81908","OC(=O)CCSc1nnc(COc2cccc3ccccc23)n1-c1ccccc1","InChI=1S/C22H19N3O3S/c26-21(27)13-14-29-22-24-23-20(25(22)17-9-2-1-3-10-17)15-28-19-12-6-8-16-7-4-5-11-18(16)19/h1-12H,13-15H2,(H,26,27)","ONEYQUFCKREJEN-UHFFFAOYSA-N",11800]
["D16395",13562,"6zp1_A",0.4,"Spike glycoprotein","Carboxypeptidase B2","Homo sapiens","BDM19246299","OC(=O)CCSc1nnc(COc2cccc3ccccc23)n1-c1ccccc2","InChI=1S/C22H19N3O3S/c26-21(27)13-14-29-22-24-23-20(25(22)17-9-2-1-3-10-17)15-28-19-12-6-8-16-7-4-5-11-18(16)19/h1-12H,13-15H2,(H,26,27)","ONEYQUFCKREJEN-UHFFFAOYSA-N",-1532.84768159371,-139930.016021521,33582.3589776268,{"$nulls":3},6.73724534036066]
["D16396",4465,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66436","OC(=O)CN1C(=O)C2C3CC(C4C3Sc3[nH]c(=O)sc3C4c3ccccc3)C2C1=O","InChI=1S/C21H18N2O5S2/c24-11(25)7-23-19(26)14-9-6-10(15(14)20(23)27)16-13(9)12(8-4-2-1-3-5-8)17-18(29-16)22-21(28)30-17/h1-5,9-10,12-16H,6-7H2,(H,22,28)(H,24,25)","GBYMFODZINXBOP-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16397",12230,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM58345","OC(=O)CN1C(=S)S\\C(=C\\c2ccccc2OCc2ccc(Cl)cc2Cl)C1=O","InChI=1S/C19H13Cl2NO4S2/c20-13-6-5-12(14(21)8-13)10-26-15-4-2-1-3-11(15)7-16-18(25)22(9-17(23)24)19(27)28-16/h1-8H,9-10H2,(H,23,24)/b16-7+","UEKDFNOPUBCLCP-FRKPEAEDSA-N",null,11015]
["D16398",31283,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Prolyl 3-hydroxylase OGFOD1","Homo sapiens","BDBM50317547","OC(=O)CNC(=O)c1c(O)n(C2CCCCC2)c(=O)n(C2CCCCC2)c1=O","InChI=1S/C19H27N3O6/c23-14(24)11-20-16(25)15-17(26)21(12-7-3-1-4-8-12)19(28)22(18(15)27)13-9-5-2-6-10-13/h12-13,26H,1-11H2,(H,20,25)(H,23,24)","NVTKJBXOBFRPLQ-UHFFFAOYSA-N",null,2100]
["D16399",31282,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Prolyl 3-hydroxylase OGFOD1","Homo sapiens","BDBM107704","OC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(Cl)c1","InChI=1S/C14H11ClN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20)","JGRXMPYUTJLTKT-UHFFFAOYSA-N",null,1400]
["D16400",4193,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67076","OC(=O)COc1ccccc1CN=Nc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)cc1)[N+]([O-])=O","InChI=1S/C21H17ClN4O7S/c22-15-5-7-16(8-6-15)25-34(31,32)20-11-17(26(29)30)9-10-18(20)24-23-12-14-3-1-2-4-19(14)33-13-21(27)28/h1-11,25H,12-13H2,(H,27,28)","LPVAMRPCYJHWNH-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16401",3847,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66773","OC(=O)COc1ccccc1\\C=C1/C(=O)Nc2ccc(Br)cc12","InChI=1S/C17H12BrNO4/c18-11-5-6-14-12(8-11)13(17(22)19-14)7-10-3-1-2-4-15(10)23-9-16(20)21/h1-8H,9H2,(H,19,22)(H,20,21)/b13-7-","XNYJPURGJHFBQX-QPEQYQDCSA-N",{"$nulls":3},">350000"]
["D16402",11751,"7nxa_C",0.5,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDM25460","OC(=O)CS(=O)c1ccc2-c3ccccc3C(=O)c3cccc1c23","InChI=1S/C19H12O4S/c20-17(21)10-24(23)16-9-8-12-11-4-1-2-5-13(11)19(22)15-7-3-6-14(16)18(12)15/h1-9H,10H2,(H,20,21)","WUJCZHVABXHBKL-UHFFFAOYSA-N",null,null,180350,{"$nulls":3},7.5,"30.00 C"]
["D16403",13473,"6zfo_A",0.4,"Spike glycoprotein","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDM19228941","OC(=O)CS(=O)c1ccc2-c3ccccc3C(=O)c3cccc1c24","InChI=1S/C19H12O4S/c20-17(21)10-24(23)16-9-8-12-11-4-1-2-5-13(11)19(22)15-7-3-6-14(16)18(12)15/h1-9H,10H2,(H,20,21)","WUJCZHVABXHBKL-UHFFFAOYSA-N",null,null,33525.8894392286,{"$nulls":3},6.73720605826668,"30.00 C"]
["D16404",11753,"7nxa_C",0.5,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDM25463","OC(=O)CSc1nnc2c3ccccc3c3ccccc3c2n1","InChI=1S/C17H11N3O2S/c21-14(22)9-23-17-18-15-12-7-3-1-5-10(12)11-6-2-4-8-13(11)16(15)19-20-17/h1-8H,9H2,(H,21,22)","XZGDBVGWDJBZRI-UHFFFAOYSA-N",null,null,46850,{"$nulls":3},7.5,"30.00 C"]
["D16405",13475,"6zfo_A",0.4,"Spike glycoprotein","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDM19229331","OC(=O)CSc1nnc2c3ccccc3c3ccccc3c2n2","InChI=1S/C17H11N3O2S/c21-14(22)9-23-17-18-15-12-7-3-1-5-10(12)11-6-2-4-8-13(11)16(15)19-20-17/h1-8H,9H2,(H,21,22)","XZGDBVGWDJBZRI-UHFFFAOYSA-N",null,null,33527.1584176196,{"$nulls":3},6.73720694101037,"30.00 C"]
["D16406",4559,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66511","OC(=O)Cc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1","InChI=1S/C22H19NO3/c24-20(25)15-16-11-13-19(14-12-16)23-22(26)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,21H,15H2,(H,23,26)(H,24,25)","HMQRNKFGWXTJPW-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16407",15178,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276991","OC(=O)Cc1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C26H22N4O4/c27-14-19-12-18(5-6-23(19)34-20-7-9-33-10-8-20)25-21-13-22(30-26(21)29-15-28-25)17-3-1-16(2-4-17)11-24(31)32/h1-6,12-13,15,20H,7-11H2,(H,31,32)(H,28,29,30)","CRYAFKJJVYGHEW-UHFFFAOYSA-N",null,13.7]
["D16408",31741,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43545","OC(=O)Cn1cc(C#N)c2ccccc12","InChI=1S/C11H8N2O2/c12-5-8-6-13(7-11(14)15)10-4-2-1-3-9(8)10/h1-4,6H,7H2,(H,14,15)","ABOATQKEOFCUPN-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D16409",32329,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396690","OC(=O)[C@@H]1CCCN(C1)S(=O)(=O)c1ccc2ccccc2c1","InChI=1S/C16H17NO4S/c18-16(19)14-6-3-9-17(11-14)22(20,21)15-8-7-12-4-1-2-5-13(12)10-15/h1-2,4-5,7-8,10,14H,3,6,9,11H2,(H,18,19)/t14-/m1/s1","KTQWWYGLWQVHDM-CQSZACIVSA-N",null,">30000"]
["D16410",32225,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396689","OC(=O)[C@H]1CCCN(C1)S(=O)(=O)c1ccc2ccccc2c1","InChI=1S/C16H17NO4S/c18-16(19)14-6-3-9-17(11-14)22(20,21)15-8-7-12-4-1-2-5-13(12)10-15/h1-2,4-5,7-8,10,14H,3,6,9,11H2,(H,18,19)/t14-/m0/s1","KTQWWYGLWQVHDM-AWEZNQCLSA-N",null,">3000"]
["D16411",4666,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66606","OC(=O)\\C=C\\C(=O)Nc1ccc(OC(F)F)cc1","InChI=1S/C11H9F2NO4/c12-11(13)18-8-3-1-7(2-4-8)14-9(15)5-6-10(16)17/h1-6,11H,(H,14,15)(H,16,17)/b6-5+","WCVNEIQZAAIBBX-AATRIKPKSA-N",{"$nulls":3},">350000"]
["D16412",32246,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50024764","OC(=O)\\C=C\\c1ccc(OC(=O)CCc2ccccc2)c(OCc2cccc(O)c2)c1","InChI=1S/C25H22O6/c26-21-8-4-7-20(15-21)17-30-23-16-19(10-13-24(27)28)9-12-22(23)31-25(29)14-11-18-5-2-1-3-6-18/h1-10,12-13,15-16,26H,11,14,17H2,(H,27,28)/b13-10+","SXIZMFKIVGGUSY-JLHYYAGUSA-N",null,20000]
["D16413",16607,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM373532","OC(=O)\\C=C\\c1ccc2c(onc2c1)-c1ccccc1","InChI=1S/C16H11NO3/c18-15(19)9-7-11-6-8-13-14(10-11)17-20-16(13)12-4-2-1-3-5-12/h1-10H,(H,18,19)/b9-7+","CJNKBAKWQGYGIS-VQHVLOKHSA-N",null,440]
["D16414",3826,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM64865","OC(=O)c1cc(-c2ccc(Cl)cc2)n(n1)-c1cccc(Cl)c1","InChI=1S/C16H10Cl2N2O2/c17-11-6-4-10(5-7-11)15-9-14(16(21)22)19-20(15)13-3-1-2-12(18)8-13/h1-9H,(H,21,22)","IBEFCIYOSYCESW-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16415",32209,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50249792","OC(=O)c1cc(Br)cc(Br)c1O","InChI=1S/C7H4Br2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)","BFBZHSOXKROMBG-UHFFFAOYSA-N",45700,{"$nulls":5},7.4,"25.00 C"]
["D16416",4024,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM58748","OC(=O)c1cc(Br)ccc1NC(=O)c1ccc2C(=O)N(Cc3ccccc3)C(=O)c2c1","InChI=1S/C23H15BrN2O5/c24-15-7-9-19(18(11-15)23(30)31)25-20(27)14-6-8-16-17(10-14)22(29)26(21(16)28)12-13-4-2-1-3-5-13/h1-11H,12H2,(H,25,27)(H,30,31)","KTXSLDOATQLSNH-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16417",32364,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50390660","OC(=O)c1cc(Br)ccc1NC(=O)c1cccc(O)c1","InChI=1S/C14H10BrNO4/c15-9-4-5-12(11(7-9)14(19)20)16-13(18)8-2-1-3-10(17)6-8/h1-7,17H,(H,16,18)(H,19,20)","NTURBAOVFJKLGD-UHFFFAOYSA-N",null,30300]
["D16418",32207,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM26269","OC(=O)c1cc(Cl)cc(Cl)c1O","InChI=1S/C7H4Cl2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)","CNJGWCQEGROXEE-UHFFFAOYSA-N",24000]
["D16419",32247,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50390657","OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(O)c1","InChI=1S/C14H10ClNO4/c15-9-4-5-12(11(7-9)14(19)20)16-13(18)8-2-1-3-10(17)6-8/h1-7,17H,(H,16,18)(H,19,20)","QRGCIJVRPSXXNA-UHFFFAOYSA-N",null,20100]
["D16420",32206,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50219490","OC(=O)c1cc(cc(Br)c1O)-c1ccccc1","InChI=1S/C13H9BrO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17)","XVZSXNULHSIRCQ-UHFFFAOYSA-N",18200]
["D16421",5013,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50398744","OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3c(c2)sn(C2CC2)c3=O)c1","InChI=1S/C24H18ClNO4S/c25-21-9-4-16(11-20(21)24(28)29)15-3-1-2-14(10-15)13-30-18-7-8-19-22(12-18)31-26(23(19)27)17-5-6-17/h1-4,7-12,17H,5-6,13H2,(H,28,29)","RBQZSTHTHNKFHW-UHFFFAOYSA-N",{"$nulls":3},">30000"]
["D16422",32366,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50390659","OC(=O)c1cc(ccc1NC(=O)c1cccc(O)c1)[N+]([O-])=O","InChI=1S/C14H10N2O6/c17-10-3-1-2-8(6-10)13(18)15-12-5-4-9(16(21)22)7-11(12)14(19)20/h1-7,17H,(H,15,18)(H,19,20)","RLQDLAXIDYUFND-UHFFFAOYSA-N",null,32300]
["D16423",31291,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1","Mus musculus","BDBM50556895","OC(=O)c1ccc(N(Cc2ccc(cc2)C2CCCCC2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c1","InChI=1S/C30H26F6N2O5S/c31-20-14-19(30(40)41)10-11-21(20)37(15-16-6-8-18(9-7-16)17-4-2-1-3-5-17)29(39)22-12-13-38(22)44(42,43)28-26(35)24(33)23(32)25(34)27(28)36/h6-11,14,17,22H,1-5,12-13,15H2,(H,40,41)/t22-/m1/s1","KJBQAYDICLLOHW-JOCHJYFZSA-N",null,">20000"]
["D16424",25904,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM31093","OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1","InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)","HHFBDROWDBDFBR-UHFFFAOYSA-N",null,null,">10000"]
["D16425",16833,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50448994","OC(=O)c1ccc(cc1)-c1cnc2nc([nH]c2c1)-c1ccc(OCCN2CCCCC2)cc1","InChI=1S/C26H26N4O3/c31-26(32)20-6-4-18(5-7-20)21-16-23-25(27-17-21)29-24(28-23)19-8-10-22(11-9-19)33-15-14-30-12-2-1-3-13-30/h4-11,16-17H,1-3,12-15H2,(H,31,32)(H,27,28,29)","MKTHARIILAOLCQ-UHFFFAOYSA-N",null,859]
["D16426",32341,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396664","OC(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1","InChI=1S/C16H15NO4S/c18-16(19)13-5-7-15(8-6-13)22(20,21)17-10-9-12-3-1-2-4-14(12)11-17/h1-8H,9-11H2,(H,18,19)","QLWLSZNKQJSZJE-UHFFFAOYSA-N",null,">30000"]
["D16427",31713,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50440926","OC(=O)c1ccc(cc1O)N(Cc1ccc(cc1)C1CCCCC1)C(=O)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F","InChI=1S/C36H30F8N2O6S/c37-29-30(38)32(40)34(33(41)31(29)39)53(51,52)45(18-23-8-4-5-9-26(23)36(42,43)44)19-28(48)46(24-14-15-25(35(49)50)27(47)16-24)17-20-10-12-22(13-11-20)21-6-2-1-3-7-21/h4-5,8-16,21,47H,1-3,6-7,17-19H2,(H,49,50)","UEUVIKQOEXBPOQ-UHFFFAOYSA-N",null,10900]
["D16428",31288,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1","Mus musculus","BDBM50556877","OC(=O)c1ccc(cc1O)N(Cc1ccc(cc1)C1CCCCC1)C(=O)[C@H]1CCN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F","InChI=1S/C30H27F5N2O6S/c31-23-24(32)26(34)28(27(35)25(23)33)44(42,43)37-13-12-21(37)29(39)36(19-10-11-20(30(40)41)22(38)14-19)15-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h6-11,14,17,21,38H,1-5,12-13,15H2,(H,40,41)/t21-/m1/s1","AJNPQBGORGGVKZ-OAQYLSRUSA-N",null,12000]
["D16429",31290,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1","Mus musculus","BDBM50556884","OC(=O)c1ccc(cc1O)N(Cc1ccc(cn1)C1CCCCC1)C(=O)[C@H]1CCN1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F","InChI=1S/C29H26F5N3O6S/c30-22-23(31)25(33)27(26(34)24(22)32)44(42,43)37-11-10-20(37)28(39)36(18-8-9-19(29(40)41)21(38)12-18)14-17-7-6-16(13-35-17)15-4-2-1-3-5-15/h6-9,12-13,15,20,38H,1-5,10-11,14H2,(H,40,41)/t20-/m1/s1","PRLVPYXUDLHWQA-HXUWFJFHSA-N",null,">20000"]
["D16430",4361,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66296","OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(Cl)cn1","InChI=1S/C14H7ClN2O4/c15-8-2-4-11(16-6-8)17-12(18)9-3-1-7(14(20)21)5-10(9)13(17)19/h1-6H,(H,20,21)","OPRMPNAELVZZKQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16431",15683,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50335638","OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21","InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)","MUOKSQABCJCOPU-UHFFFAOYSA-N",null,35]
["D16432",4299,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66399","OC(=O)c1cccc(CSc2nc(cc(n2)C(F)(F)F)-c2ccc(Cl)cc2)c1","InChI=1S/C19H12ClF3N2O2S/c20-14-6-4-12(5-7-14)15-9-16(19(21,22)23)25-18(24-15)28-10-11-2-1-3-13(8-11)17(26)27/h1-9H,10H2,(H,26,27)","WVQVDPOQZOIJJY-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16433",32384,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM50337285","OC(=O)c1cccc(Nc2ccc(Br)cc2)c1","InChI=1S/C13H10BrNO2/c14-10-4-6-11(7-5-10)15-12-3-1-2-9(8-12)13(16)17/h1-8,15H,(H,16,17)","QGRMQUFALFJLGQ-UHFFFAOYSA-N",null,91400]
["D16434",32373,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50337284","OC(=O)c1cccc(Nc2ccc(Cl)cc2)c1","InChI=1S/C13H10ClNO2/c14-10-4-6-11(7-5-10)15-12-3-1-2-9(8-12)13(16)17/h1-8,15H,(H,16,17)","UPJCPFBYPSSQEM-UHFFFAOYSA-N",null,48700]
["D16435",32229,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50546234","OC(=O)c1cccc(Nc2ccc([N+]([O-])=O)c3c(cccc23)[N+]([O-])=O)c1","InChI=1S/C17H11N3O6/c21-17(22)10-3-1-4-11(9-10)18-13-7-8-15(20(25)26)16-12(13)5-2-6-14(16)19(23)24/h1-9,18H,(H,21,22)","DEBLYSMOATYNAJ-UHFFFAOYSA-N",null,5340]
["D16436",32232,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50382163","OC(=O)c1cccc(Nc2ccc([N+]([O-])=O)c3ccccc23)c1","InChI=1S/C17H12N2O4/c20-17(21)11-4-3-5-12(10-11)18-15-8-9-16(19(22)23)14-7-2-1-6-13(14)15/h1-10,18H,(H,20,21)","ZLIDMWNTWSBTSM-UHFFFAOYSA-N",null,8170]
["D16437",32380,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50337283","OC(=O)c1cccc(Nc2ccc(cc2)C(F)(F)F)c1","InChI=1S/C14H10F3NO2/c15-14(16,17)10-4-6-11(7-5-10)18-12-3-1-2-9(8-12)13(19)20/h1-8,18H,(H,19,20)","MDZIRNPRVJEHHX-UHFFFAOYSA-N",null,62700]
["D16438",32367,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50337281","OC(=O)c1cccc(Nc2ccc(cc2)[N+]([O-])=O)c1","InChI=1S/C13H10N2O4/c16-13(17)9-2-1-3-11(8-9)14-10-4-6-12(7-5-10)15(18)19/h1-8,14H,(H,16,17)","YRZASYCIZSWCKB-UHFFFAOYSA-N",null,32700]
["D16439",32231,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50385687","OC(=O)c1cccc(Nc2ccc(cc2[N+]([O-])=O)C(F)(F)F)c1","InChI=1S/C14H9F3N2O4/c15-14(16,17)9-4-5-11(12(7-9)19(22)23)18-10-3-1-2-8(6-10)13(20)21/h1-7,18H,(H,20,21)","ITCTUKOBYWLACJ-UHFFFAOYSA-N",null,5500]
["D16440",15586,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM148108","OC(=O)c1cccc(Nc2nccc(n2)-c2ccc(N3CCCC3)c(c2)C#N)c1","InChI=1S/C22H19N5O2/c23-14-17-12-15(6-7-20(17)27-10-1-2-11-27)19-8-9-24-22(26-19)25-18-5-3-4-16(13-18)21(28)29/h3-9,12-13H,1-2,10-11H2,(H,28,29)(H,24,25,26)","OSQIYZJBWPPIEK-UHFFFAOYSA-N",null,"<30",{"$nulls":4},7.5]
["D16441",32323,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396675","OC(=O)c1cccc(c1)S(=O)(=O)N1CCC=CC1","InChI=1S/C12H13NO4S/c14-12(15)10-5-4-6-11(9-10)18(16,17)13-7-2-1-3-8-13/h1-2,4-6,9H,3,7-8H2,(H,14,15)","ZHBUIKFYTRKKGK-UHFFFAOYSA-N",null,">30000"]
["D16442",32319,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396671","OC(=O)c1cccc(c1)S(=O)(=O)N1CCCc2ccccc12","InChI=1S/C16H15NO4S/c18-16(19)13-6-3-8-14(11-13)22(20,21)17-10-4-7-12-5-1-2-9-15(12)17/h1-3,5-6,8-9,11H,4,7,10H2,(H,18,19)","QWYQADXOPOXONA-UHFFFAOYSA-N",null,">30000"]
["D16443",32269,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396658","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(Br)cccc2C1","InChI=1S/C16H14BrNO4S/c17-15-6-2-4-12-10-18(8-7-14(12)15)23(21,22)13-5-1-3-11(9-13)16(19)20/h1-6,9H,7-8,10H2,(H,19,20)","GHUHBNQRTOWWLV-UHFFFAOYSA-N",null,">30000"]
["D16444",32271,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396694","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(C1)cccc2[N+]([O-])=O","InChI=1S/C16H14N2O6S/c19-16(20)11-3-1-5-13(9-11)25(23,24)17-8-7-14-12(10-17)4-2-6-15(14)18(21)22/h1-6,9H,7-8,10H2,(H,19,20)","IOTOOJICGWWGKH-UHFFFAOYSA-N",null,">30000"]
["D16445",32270,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396659","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(Cl)cccc2C1","InChI=1S/C16H14ClNO4S/c17-15-6-2-4-12-10-18(8-7-14(12)15)23(21,22)13-5-1-3-11(9-13)16(19)20/h1-6,9H,7-8,10H2,(H,19,20)","IKXGOFABXDUNCY-UHFFFAOYSA-N",null,">30000"]
["D16446",32268,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396657","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(I)cccc2C1","InChI=1S/C16H14INO4S/c17-15-6-2-4-12-10-18(8-7-14(12)15)23(21,22)13-5-1-3-11(9-13)16(19)20/h1-6,9H,7-8,10H2,(H,19,20)","OEKBWMJPWMLWLJ-UHFFFAOYSA-N",null,">30000"]
["D16447",32267,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396722","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(O)cccc2C1","InChI=1S/C16H15NO5S/c18-15-6-2-4-12-10-17(8-7-14(12)15)23(21,22)13-5-1-3-11(9-13)16(19)20/h1-6,9,18H,7-8,10H2,(H,19,20)","RXLZVQRNJUENPZ-UHFFFAOYSA-N",null,">30000"]
["D16448",32261,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396653","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2cc(Br)ccc2C1","InChI=1S/C16H14BrNO4S/c17-14-5-4-13-10-18(7-6-11(13)8-14)23(21,22)15-3-1-2-12(9-15)16(19)20/h1-5,8-9H,6-7,10H2,(H,19,20)","VLSLBKYXQMFSIT-UHFFFAOYSA-N",null,">30000"]
["D16449",32262,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396695","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2cc(Cl)ccc2C1","InChI=1S/C16H14ClNO4S/c17-14-5-4-13-10-18(7-6-11(13)8-14)23(21,22)15-3-1-2-12(9-15)16(19)20/h1-5,8-9H,6-7,10H2,(H,19,20)","JCJYYFVNWSPXEZ-UHFFFAOYSA-N",null,">30000"]
["D16450",32260,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396720","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2cc(I)ccc2C1","InChI=1S/C16H14INO4S/c17-14-5-4-13-10-18(7-6-11(13)8-14)23(21,22)15-3-1-2-12(9-15)16(19)20/h1-5,8-9H,6-7,10H2,(H,19,20)","VVGCNTZPXJTVSF-UHFFFAOYSA-N",null,">30000"]
["D16451",32259,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396652","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2cc(O)ccc2C1","InChI=1S/C16H15NO5S/c18-14-5-4-13-10-17(7-6-11(13)8-14)23(21,22)15-3-1-2-12(9-15)16(19)20/h1-5,8-9,18H,6-7,10H2,(H,19,20)","FNXKARXXKSABIW-UHFFFAOYSA-N",null,">30000"]
["D16452",32263,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396721","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2cc(ccc2C1)C#N","InChI=1S/C17H14N2O4S/c18-10-12-4-5-15-11-19(7-6-13(15)8-12)24(22,23)16-3-1-2-14(9-16)17(20)21/h1-5,8-9H,6-7,11H2,(H,20,21)","GJAJUPMKLWMKNY-UHFFFAOYSA-N",null,">30000"]
["D16453",32264,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396654","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2cc(ccc2C1)[N+]([O-])=O","InChI=1S/C16H14N2O6S/c19-16(20)12-2-1-3-15(9-12)25(23,24)17-7-6-11-8-14(18(21)22)5-4-13(11)10-17/h1-5,8-9H,6-7,10H2,(H,19,20)","NTTNACNLPVGXMR-UHFFFAOYSA-N",null,">30000"]
["D16454",32357,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396692","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccc(Br)cc2C1","InChI=1S/C16H14BrNO4S/c17-14-5-4-11-6-7-18(10-13(11)8-14)23(21,22)15-3-1-2-12(9-15)16(19)20/h1-5,8-9H,6-7,10H2,(H,19,20)","PUPFYPLSLWKGNP-UHFFFAOYSA-N",null,">30000"]
["D16455",32358,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396644","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccc(Cl)cc2C1","InChI=1S/C16H14ClNO4S/c17-14-5-4-11-6-7-18(10-13(11)8-14)23(21,22)15-3-1-2-12(9-15)16(19)20/h1-5,8-9H,6-7,10H2,(H,19,20)","HXGFQMHALOPCDW-UHFFFAOYSA-N",null,">30000"]
["D16456",32359,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396645","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccc(F)cc2C1","InChI=1S/C16H14FNO4S/c17-14-5-4-11-6-7-18(10-13(11)8-14)23(21,22)15-3-1-2-12(9-15)16(19)20/h1-5,8-9H,6-7,10H2,(H,19,20)","JYRURBCJYCFKJT-UHFFFAOYSA-N",null,">30000"]
["D16457",32356,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396719","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccc(I)cc2C1","InChI=1S/C16H14INO4S/c17-14-5-4-11-6-7-18(10-13(11)8-14)23(21,22)15-3-1-2-12(9-15)16(19)20/h1-5,8-9H,6-7,10H2,(H,19,20)","XTWKXCBGPGMXJG-UHFFFAOYSA-N",null,">30000"]
["D16458",32235,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396647","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccc(cc2C1)-c1nnn[nH]1","InChI=1S/C17H15N5O4S/c23-17(24)13-2-1-3-15(9-13)27(25,26)22-7-6-11-4-5-12(8-14(11)10-22)16-18-20-21-19-16/h1-5,8-9H,6-7,10H2,(H,23,24)(H,18,19,20,21)","PMSHYANKBLXDSH-UHFFFAOYSA-N",null,9810]
["D16459",32362,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396649","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccc(cc2C1)C#C","InChI=1S/C18H15NO4S/c1-2-13-6-7-14-8-9-19(12-16(14)10-13)24(22,23)17-5-3-4-15(11-17)18(20)21/h1,3-7,10-11H,8-9,12H2,(H,20,21)","DTKGFUCTXXESLR-UHFFFAOYSA-N",null,">30000"]
["D16460",32361,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396648","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccc(cc2C1)C#Cc1ccc(OC(F)(F)F)cc1","InChI=1S/C25H18F3NO5S/c26-25(27,28)34-22-10-7-17(8-11-22)4-5-18-6-9-19-12-13-29(16-21(19)14-18)35(32,33)23-3-1-2-20(15-23)24(30)31/h1-3,6-11,14-15H,12-13,16H2,(H,30,31)","XFRVQUZYEUJSHG-UHFFFAOYSA-N",null,">30000"]
["D16461",32355,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396718","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccc(cc2C1)C#N","InChI=1S/C17H14N2O4S/c18-10-12-4-5-13-6-7-19(11-15(13)8-12)24(22,23)16-3-1-2-14(9-16)17(20)21/h1-5,8-9H,6-7,11H2,(H,20,21)","ZCKJLTOWUDOHDJ-UHFFFAOYSA-N",null,">30000"]
["D16462",32360,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396646","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccc(cc2C1)[N+]([O-])=O","InChI=1S/C16H14N2O6S/c19-16(20)12-2-1-3-15(9-12)25(23,24)17-7-6-11-4-5-14(18(21)22)8-13(11)10-17/h1-5,8-9H,6-7,10H2,(H,19,20)","VXGHADCNFOVNGO-UHFFFAOYSA-N",null,">30000"]
["D16463",32353,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396716","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2cccc(Cl)c2C1","InChI=1S/C16H14ClNO4S/c17-15-6-2-3-11-7-8-18(10-14(11)15)23(21,22)13-5-1-4-12(9-13)16(19)20/h1-6,9H,7-8,10H2,(H,19,20)","OTFBILORZXOOKD-UHFFFAOYSA-N",null,">30000"]
["D16464",32321,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396673","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc12","InChI=1S/C15H13NO4S/c17-15(18)12-5-3-6-13(10-12)21(19,20)16-9-8-11-4-1-2-7-14(11)16/h1-7,10H,8-9H2,(H,17,18)","VLBSLQVQWAJURT-UHFFFAOYSA-N",null,">30000"]
["D16465",32324,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396676","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1","InChI=1S/C16H15NO4S/c18-16(19)13-6-3-7-15(10-13)22(20,21)17-9-8-12-4-1-2-5-14(12)11-17/h1-7,10H,8-9,11H2,(H,18,19)","ZGVIUMKHTXKKOX-UHFFFAOYSA-N",null,">30000"]
["D16466",32322,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396674","OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2sccc2C1","InChI=1S/C14H13NO4S2/c16-14(17)10-2-1-3-12(8-10)21(18,19)15-6-4-13-11(9-15)5-7-20-13/h1-3,5,7-8H,4,6,9H2,(H,16,17)","KOKBEXZEABMYFP-UHFFFAOYSA-N",null,">30000"]
["D16467",32320,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396672","OC(=O)c1cccc(c1)S(=O)(=O)N1Cc2ccccc2C1","InChI=1S/C15H13NO4S/c17-15(18)11-6-3-7-14(8-11)21(19,20)16-9-12-4-1-2-5-13(12)10-16/h1-8H,9-10H2,(H,17,18)","PMISBRGEZDFBQM-UHFFFAOYSA-N",null,">30000"]
["D16468",32347,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396665","OC(=O)c1cccc(c1)S(=O)(=O)NCCc1ccc(Cl)cc1","InChI=1S/C15H14ClNO4S/c16-13-6-4-11(5-7-13)8-9-17-22(20,21)14-3-1-2-12(10-14)15(18)19/h1-7,10,17H,8-9H2,(H,18,19)","GBNDJLDKNNEDQM-UHFFFAOYSA-N",null,">30000"]
["D16469",32348,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396666","OC(=O)c1cccc(c1)S(=O)(=O)NCCc1cccc(Cl)c1","InChI=1S/C15H14ClNO4S/c16-13-5-1-3-11(9-13)7-8-17-22(20,21)14-6-2-4-12(10-14)15(18)19/h1-6,9-10,17H,7-8H2,(H,18,19)","PLXFUYNMQRTZGO-UHFFFAOYSA-N",null,">30000"]
["D16470",32344,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396711","OC(=O)c1cccc(c1)S(=O)(=O)NCCc1cccc(Oc2ccccc2)c1","InChI=1S/C21H19NO5S/c23-21(24)17-7-5-11-20(15-17)28(25,26)22-13-12-16-6-4-10-19(14-16)27-18-8-2-1-3-9-18/h1-11,14-15,22H,12-13H2,(H,23,24)","KZOAULYPEKBDBF-UHFFFAOYSA-N",null,">30000"]
["D16471",32350,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396667","OC(=O)c1cccc(c1)S(=O)(=O)NCCc1ccccc1","InChI=1S/C15H15NO4S/c17-15(18)13-7-4-8-14(11-13)21(19,20)16-10-9-12-5-2-1-3-6-12/h1-8,11,16H,9-10H2,(H,17,18)","YPNOBPYZXOOSOQ-UHFFFAOYSA-N",null,">30000"]
["D16472",32349,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396714","OC(=O)c1cccc(c1)S(=O)(=O)NCCc1ccccc1F","InChI=1S/C15H14FNO4S/c16-14-7-2-1-4-11(14)8-9-17-22(20,21)13-6-3-5-12(10-13)15(18)19/h1-7,10,17H,8-9H2,(H,18,19)","SRPRQWZSYQCUJT-UHFFFAOYSA-N",null,">30000"]
["D16473",32318,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396670","OC(=O)c1cccc(c1)S(=O)(=O)Nc1ccc2ccccc2c1","InChI=1S/C17H13NO4S/c19-17(20)14-6-3-7-16(11-14)23(21,22)18-15-9-8-12-4-1-2-5-13(12)10-15/h1-11,18H,(H,19,20)","ZDSZVSCWEYMPFX-UHFFFAOYSA-N",null,">30000"]
["D16474",12294,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM6357","OC(=O)c1ccccc1C(=O)Nc1ccc(Oc2cccc3ccccc23)cc1","InChI=1S/C24H17NO4/c26-23(20-9-3-4-10-21(20)24(27)28)25-17-12-14-18(15-13-17)29-22-11-5-7-16-6-1-2-8-19(16)22/h1-15H,(H,25,26)(H,27,28)","YZEJIVHEKNOOOB-UHFFFAOYSA-N",null,">35861"]
["D16475",32391,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50390656","OC(=O)c1ccccc1NC(=O)c1cccc(O)c1","InChI=1S/C14H11NO4/c16-10-5-3-4-9(8-10)13(17)15-12-7-2-1-6-11(12)14(18)19/h1-8,16H,(H,15,17)(H,18,19)","UHYWVEURSKDJJI-UHFFFAOYSA-N",null,100000]
["D16476",32230,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4","Homo sapiens","BDBM220123","OC(=O)c1ccccc1Nc1cc(ccc1N(=O)=O)C(F)(F)F","InChI=1S/C14H9F3N2O4/c15-14(16,17)8-5-6-12(19(22)23)11(7-8)18-10-4-2-1-3-9(10)13(20)21/h1-7,18H,(H,20,21)","FZAWUOZTOMHTKK-UHFFFAOYSA-N",null,5500]
["D16477",32387,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM17636","OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F","InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)","LPEPZBJOKDYZAD-UHFFFAOYSA-N",null,">100000"]
["D16478",3868,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66792","OC(=O)c1ccccc1SCCS(=O)(=O)c1ccc(Cl)cc1Cl","InChI=1S/C15H12Cl2O4S2/c16-10-5-6-14(12(17)9-10)23(20,21)8-7-22-13-4-2-1-3-11(13)15(18)19/h1-6,9H,7-8H2,(H,18,19)","ZBBZIYGBUIXQFA-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16479",3924,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66839","OC(=O)c1cccnc1SCC(=O)NC1CCCCC1","InChI=1S/C14H18N2O3S/c17-12(16-10-5-2-1-3-6-10)9-20-13-11(14(18)19)7-4-8-15-13/h4,7-8,10H,1-3,5-6,9H2,(H,16,17)(H,18,19)","HSLPKXXTBRUWBY-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16480",32275,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396698","OC(=O)c1ccn(n1)S(=O)(=O)c1ccc2ccccc2c1","InChI=1S/C14H10N2O4S/c17-14(18)13-7-8-16(15-13)21(19,20)12-6-5-10-3-1-2-4-11(10)9-12/h1-9H,(H,17,18)","FPDIRYSVRRMUAV-UHFFFAOYSA-N",null,">30000"]
["D16481",16346,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144128","OC(=O)c1ccnc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1","InChI=1S/C23H20N4O4/c24-14-18-11-15(1-2-20(18)31-19-5-9-30-10-6-19)16-3-7-25-21(12-16)27-22-13-17(23(28)29)4-8-26-22/h1-4,7-8,11-13,19H,5-6,9-10H2,(H,28,29)(H,25,26,27)","KPJNILHFVBUXEY-UHFFFAOYSA-N",null,170,{"$nulls":4},7.5,"30.00 C"]
["D16482",4419,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66336","OC(=O)c1cn(-c2ccccc2)c(=O)c2ccccc12","InChI=1S/C16H11NO3/c18-15-13-9-5-4-8-12(13)14(16(19)20)10-17(15)11-6-2-1-3-7-11/h1-10H,(H,19,20)","BALOZOOEIKLLSQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16483",32317,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396669","OC(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(Br)cc1","InChI=1S/C15H10BrNO4S/c16-10-5-7-11(8-6-10)22(20,21)17-9-13(15(18)19)12-3-1-2-4-14(12)17/h1-9H,(H,18,19)","GVJMLPMDLUIKOZ-UHFFFAOYSA-N",null,">30000"]
["D16484",32351,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50396715","OC(=O)c1cncc(c1)S(=O)(=O)N1CCc2ccccc2C1","InChI=1S/C15H14N2O4S/c18-15(19)13-7-14(9-16-8-13)22(20,21)17-6-5-11-3-1-2-4-12(11)10-17/h1-4,7-9H,5-6,10H2,(H,18,19)","HSAPYTJKJWNNEI-UHFFFAOYSA-N",null,">30000"]
["D16485",31998,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM67104","OC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2ccccc12","InChI=1S/C15H9FN2O3/c16-9-5-7-10(8-6-9)18-14(19)12-4-2-1-3-11(12)13(17-18)15(20)21/h1-8H,(H,20,21)","GJJFZXLCAQWQPG-UHFFFAOYSA-N",null,">55690"]
["D16486",11985,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43117","OC(C#CCN1CCCC1)(c1ccccc1)c1cccc(F)c1","InChI=1S/C20H20FNO/c21-19-11-6-10-18(16-19)20(23,17-8-2-1-3-9-17)12-7-15-22-13-4-5-14-22/h1-3,6,8-11,16,23H,4-5,13-15H2","DQFQFRBUYJPXKR-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D16487",3769,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66378","OC(CN(Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1)C(F)(F)F","InChI=1S/C17H16ClF3N2O2/c18-13-8-6-12(7-9-13)10-23(11-15(24)17(19,20)21)16(25)22-14-4-2-1-3-5-14/h1-9,15,24H,10-11H2,(H,22,25)","WDWBNWIFPHIYHQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16488",3797,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66729","OC(CNCC1COc2ccccc2O1)COc1ccc(Cl)cc1","InChI=1S/C18H20ClNO4/c19-13-5-7-15(8-6-13)22-11-14(21)9-20-10-16-12-23-17-3-1-2-4-18(17)24-16/h1-8,14,16,20-21H,9-12H2","BADSCWFHJCUJTF-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16489",4358,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66293","OC(COc1ccc2ccccc2c1Br)Cn1ccnc1","InChI=1S/C16H15BrN2O2/c17-16-14-4-2-1-3-12(14)5-6-15(16)21-10-13(20)9-19-8-7-18-11-19/h1-8,11,13,20H,9-10H2","RJBIHNPBYLOCRK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16490",29593,"7lx5_A",0.3,"Spike glycoprotein","Putative farnesyl pyrophosphate synthase","Cryptosporidium parvum","BDBM12576","OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O","InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)","IIDJRNMFWXDHID-UHFFFAOYSA-N"," 0.38"," 45.7"]
["D16491",29592,"7lx5_A",0.3,"Spike glycoprotein","Putative farnesyl pyrophosphate synthase","Cryptosporidium parvum","BDBM12578","OC(Cn1ccnc1)(P(O)(O)=O)P(O)(O)=O","InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)","XRASPMIURGNCCH-UHFFFAOYSA-N"," 0.050"," 30.1"]
["D16492",3833,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM25817","OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F","InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2","RFHAOTPXVQNOHP-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16493",17553,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277817","OC(Nc1ccc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cc1)C=C","InChI=1S/C24H24N6O3/c1-2-22(31)28-18-4-6-19(7-5-18)29-24-27-15-26-23(30-24)16-3-8-21(17(13-16)14-25)33-20-9-11-32-12-10-20/h2-8,13,15,20,22,28,31H,1,9-12H2,(H,26,27,29,30)","PAKAUCQWKRRWMX-UHFFFAOYSA-N",null,6000,{"$nulls":4},7]
["D16494",31630,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50104296","OC(O)CC1NCC(O)C1O","InChI=1S/C6H13NO4/c8-4-2-7-3(6(4)11)1-5(9)10/h3-11H,1-2H2","QRXYEWPGDSAILC-UHFFFAOYSA-N",27000]
["D16495",14493,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277826","OC(c1cccc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1)C(F)(F)F","InChI=1S/C23H20F3N5O3/c24-23(25,26)20(32)14-2-1-3-17(11-14)30-22-29-13-28-21(31-22)15-4-5-19(16(10-15)12-27)34-18-6-8-33-9-7-18/h1-5,10-11,13,18,20,32H,6-9H2,(H,28,29,30,31)","YTKXJIKRZSXVIP-UHFFFAOYSA-N",null,3]
["D16496",3743,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66363","OC1(CC(=NN1C(=O)c1ccc(COc2ccc3ccccc3c2)o1)C(F)F)C(F)F","InChI=1S/C21H16F4N2O4/c22-18(23)16-10-21(29,20(24)25)27(26-16)19(28)17-8-7-15(31-17)11-30-14-6-5-12-3-1-2-4-13(12)9-14/h1-9,18,20,29H,10-11H2","IFXYPTZWCXACCQ-UHFFFAOYSA-N",{"$nulls":3},45610]
["D16497",15459,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277848","OC1(CC1)C(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C32H36N8O4/c33-18-23-17-22(1-6-28(23)44-27-7-11-40(12-8-27)30(41)32(42)9-10-32)29-34-21-35-31(37-29)36-24-2-4-25(5-3-24)38-13-15-39(16-14-38)26-19-43-20-26/h1-6,17,21,26-27,42H,7-16,19-20H2,(H,34,35,36,37)","LIEHBCMOQAMXMT-UHFFFAOYSA-N",null,28]
["D16498",16349,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277872","OC1(CC1)C(=O)N1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C31H34N8O4/c32-16-22-15-21(1-6-27(22)43-26-7-10-39(17-26)29(40)31(41)8-9-31)28-33-20-34-30(36-28)35-23-2-4-24(5-3-23)37-11-13-38(14-12-37)25-18-42-19-25/h1-6,15,20,25-26,41H,7-14,17-19H2,(H,33,34,35,36)/t26-/m1/s1","PZXPMBUHXLROKC-AREMUKBSSA-N",null,173]
["D16499",14816,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277918","OC1(CC1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C32H35FN8O4/c33-26-17-41(30(42)32(43)8-9-32)10-7-28(26)45-27-6-1-21(15-22(27)16-34)29-35-20-36-31(38-29)37-23-2-4-24(5-3-23)39-11-13-40(14-12-39)25-18-44-19-25/h1-6,15,20,25-26,28,43H,7-14,17-19H2,(H,35,36,37,38)/t26-,28+/m1/s1","IALKHRKJWQJJJS-IAPPQJPRSA-N",null,6]
["D16500",15425,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278392","OC1(CNC1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C32H36FN9O4/c33-26-15-42(30(43)32(44)18-35-19-32)8-7-28(26)46-27-6-1-21(13-22(27)14-34)29-36-20-37-31(39-29)38-23-2-4-24(5-3-23)40-9-11-41(12-10-40)25-16-45-17-25/h1-6,13,20,25-26,28,35,44H,7-12,15-19H2,(H,36,37,38,39)/t26-,28+/m1/s1","CVQXZCGZYLHTSB-IAPPQJPRSA-N",null,25]
["D16501",15339,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278250","OC1(COC1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C32H35FN8O5/c33-26-15-41(30(42)32(43)18-45-19-32)8-7-28(26)46-27-6-1-21(13-22(27)14-34)29-35-20-36-31(38-29)37-23-2-4-24(5-3-23)39-9-11-40(12-10-39)25-16-44-17-25/h1-6,13,20,25-26,28,43H,7-12,15-19H2,(H,35,36,37,38)/t26-,28+/m1/s1","UJOGAGMXHBMWDG-IAPPQJPRSA-N",null,19]
["D16502",14528,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276822","OC1(COC1)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C28H25N3O4/c29-15-20-13-19(3-6-26(20)35-22-8-11-33-12-9-22)23-7-10-30-27-24(23)14-25(31-27)18-1-4-21(5-2-18)28(32)16-34-17-28/h1-7,10,13-14,22,32H,8-9,11-12,16-17H2,(H,30,31)","VZLQAULNDFJYPL-UHFFFAOYSA-N",null,3.09]
["D16503",15104,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278328","OC1CC(C1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C33H37FN8O4/c34-28-17-42(32(44)22-14-27(43)15-22)8-7-30(28)46-29-6-1-21(13-23(29)16-35)31-36-20-37-33(39-31)38-24-2-4-25(5-3-24)40-9-11-41(12-10-40)26-18-45-19-26/h1-6,13,20,22,26-28,30,43H,7-12,14-15,17-19H2,(H,36,37,38,39)/t22?,27?,28-,30+/m1/s1","FBVLHAUEQLPGAU-ILBGSUSBSA-N",null,11]
["D16504",16270,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397658","OC1CCN(C1)C(=O)CNc1cc(ccc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C21H22N6O3/c22-8-15-4-3-14(7-17(15)24-11-20(29)27-6-5-16(28)12-27)18-9-25-19(10-23-18)26-21(30)13-1-2-13/h3-4,7,9-10,13,16,24,28H,1-2,5-6,11-12H2,(H,25,26,30)","SUHPZWJPXIIHBC-UHFFFAOYSA-N",null,126]
["D16505",15501,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245957","OC1CCN(CC(=O)Nc2ccc(Nc3nccc(n3)-c3cnc(N4CC[C@H](F)C4)c(c3)C#N)cn2)CC1","InChI=1S/C26H28FN9O2/c27-19-4-10-36(15-19)25-17(12-28)11-18(13-31-25)22-3-7-29-26(33-22)32-20-1-2-23(30-14-20)34-24(38)16-35-8-5-21(37)6-9-35/h1-3,7,11,13-14,19,21,37H,4-6,8-10,15-16H2,(H,29,32,33)(H,30,34,38)/t19-/m0/s1","LKLZTSSECQEOSH-IBGZPJMESA-N",null,"<30",{"$nulls":4},7.5]
["D16506",15251,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278065","OC1CN(C1)c1ccc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1","InChI=1S/C23H23N7O3/c24-10-16-9-15(1-3-20(16)33-19-5-7-32-8-6-19)22-26-14-27-23(29-22)28-17-2-4-21(25-11-17)30-12-18(31)13-30/h1-4,9,11,14,18-19,31H,5-8,12-13H2,(H,26,27,28,29)","AKIJKDXIHMPADM-UHFFFAOYSA-N",null,15]
["D16507",15173,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277038","OC1CN(C1)c1ccc(cc1C#N)-c1cc2c(ncnc2[nH]1)-c1ccc(N2CC(O)C2)c(c1)C#N","InChI=1S/C26H21N7O2/c27-8-17-5-15(1-3-23(17)32-10-19(34)11-32)22-7-21-25(29-14-30-26(21)31-22)16-2-4-24(18(6-16)9-28)33-12-20(35)13-33/h1-7,14,19-20,34-35H,10-13H2,(H,29,30,31)","OESXQVFTYMQBFH-UHFFFAOYSA-N",null,13.4]
["D16508",14548,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276866","OC1CN(C1)c1ccc(cc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C27H25N5O2/c28-15-20-13-19(3-6-26(20)32-16-22(33)17-32)23-7-8-29-27-24(23)14-25(30-27)18-1-4-21(5-2-18)31-9-11-34-12-10-31/h1-8,13-14,22,33H,9-12,16-17H2,(H,29,30)","PELOFVOLSZDJHB-UHFFFAOYSA-N",null,3.33]
["D16509",14888,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277813","OC1CN(C1)c1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C26H28N8O2/c27-12-19-11-18(1-6-24(19)34-13-23(35)14-34)25-28-17-29-26(31-25)30-20-2-4-21(5-3-20)32-7-9-33(10-8-32)22-15-36-16-22/h1-6,11,17,22-23,35H,7-10,13-16H2,(H,28,29,30,31)","CUWREUWHRSIIKQ-UHFFFAOYSA-N",null,7]
["D16510",15752,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277035","OC1CN(C1)c1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(OCCN2CCCC2)cc1","InChI=1S/C28H28N6O2/c29-15-21-13-20(5-8-26(21)34-16-22(35)17-34)27-24-14-25(32-28(24)31-18-30-27)19-3-6-23(7-4-19)36-12-11-33-9-1-2-10-33/h3-8,13-14,18,22,35H,1-2,9-12,16-17H2,(H,30,31,32)","ZRQQVUBJGLMDQR-UHFFFAOYSA-N",null,42.4]
["D16511",17755,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277022","OC1CN(C1)c1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C26H24N6O2/c27-13-19-11-18(3-6-24(19)32-14-21(33)15-32)25-22-12-23(30-26(22)29-16-28-25)17-1-4-20(5-2-17)31-7-9-34-10-8-31/h1-6,11-12,16,21,33H,7-10,14-15H2,(H,28,29,30)","XTPZOLOTOXFORS-UHFFFAOYSA-N",null,2.15]
["D16512",15149,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276934","OC1CN(C1)c1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1cccc(c1)N1CCOCC1","InChI=1S/C26H24N6O2/c27-13-19-10-18(4-5-24(19)32-14-21(33)15-32)25-22-12-23(30-26(22)29-16-28-25)17-2-1-3-20(11-17)31-6-8-34-9-7-31/h1-5,10-12,16,21,33H,6-9,14-15H2,(H,28,29,30)","HCQISHRTQSDYMG-UHFFFAOYSA-N",null,12.6,{"$nulls":4},7]
["D16513",31667,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50104300","OC1CNC(CNC2CCCC2)C1O","InChI=1S/C10H20N2O2/c13-9-6-12-8(10(9)14)5-11-7-3-1-2-4-7/h7-14H,1-6H2","CAYLVMUUXWDLQS-UHFFFAOYSA-N",null,500000]
["D16514",31665,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50104302","OC1CNC(CNCC2CCN(Cc3ccccc3)CC2)C1O","InChI=1S/C18H29N3O2/c22-17-12-20-16(18(17)23)11-19-10-14-6-8-21(9-7-14)13-15-4-2-1-3-5-15/h1-5,14,16-20,22-23H,6-13H2","DRPOVXNOVAPPSV-UHFFFAOYSA-N",null,430000]
["D16515",31662,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50104307","OC1CNC(CNCc2ccccc2)C1O","InChI=1S/C12H18N2O2/c15-11-8-14-10(12(11)16)7-13-6-9-4-2-1-3-5-9/h1-5,10-16H,6-8H2","SXQQUIDMNYCBEU-UHFFFAOYSA-N",null,370000]
["D16516",31629,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50104303","OC1CNC(CNCc2ccco2)C1O","InChI=1S/C10H16N2O3/c13-9-6-12-8(10(9)14)5-11-4-7-2-1-3-15-7/h1-3,8-14H,4-6H2","PZXVNBNMCOTOGT-UHFFFAOYSA-N",12000]
["D16517",31664,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50104305","OC1CNC(CNCn2ccnc2)C1O","InChI=1S/C9H16N4O2/c14-8-4-12-7(9(8)15)3-11-6-13-2-1-10-5-13/h1-2,5,7-9,11-12,14-15H,3-4,6H2","AXLGCGSOTAFBLX-UHFFFAOYSA-N",null,420000]
["D16518",16359,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276972","OCC#Cc1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C22H19N3O3/c23-14-16-12-15(3-4-21(16)28-18-6-10-27-11-7-18)19-5-8-24-22-20(19)13-17(25-22)2-1-9-26/h3-5,8,12-13,18,26H,6-7,9-11H2,(H,24,25)","BTUAQQDZVLCPFW-UHFFFAOYSA-N",null,184]
["D16519",17512,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278232","OCC(=O)C1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3cnn(c3)C(F)F)n2)[C@H](F)C1","InChI=1S/C22H20F3N7O3/c23-16-6-12(17(34)10-33)1-4-19(16)35-18-3-2-13(5-14(18)7-26)20-27-11-28-22(31-20)30-15-8-29-32(9-15)21(24)25/h2-3,5,8-9,11-12,16,19,21,33H,1,4,6,10H2,(H,27,28,30,31)/t12?,16-,19+/m1/s1","MXNBIEDGXTVHEM-HDPDCCELSA-N",null,5000,{"$nulls":4},7]
["D16520",15980,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM375448","OCC(=O)N1C2CCC1CC(C2)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C32H36N8O4/c33-16-22-13-21(1-8-29(22)44-28-14-25-6-7-26(15-28)40(25)30(42)17-41)31-34-20-35-32(37-31)36-23-2-4-24(5-3-23)38-9-11-39(12-10-38)27-18-43-19-27/h1-5,8,13,20,25-28,41H,6-7,9-12,14-15,17-19H2,(H,34,35,36,37)","NXPGKTUDBUKOPK-UHFFFAOYSA-N",null,92]
["D16521",18133,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277951","OCC(=O)N1C2CCC1CC(C2)Oc1ccc(cc1C#N)C1=NC(Nc2ccc(cc2)N2CCN(CC2)C2COC2)=[N]=CN1","InChI=1S/C32H37N8O4/c33-16-22-13-21(1-8-29(22)44-28-14-25-6-7-26(15-28)40(25)30(42)17-41)31-34-20-35-32(37-31)36-23-2-4-24(5-3-23)38-9-11-39(12-10-38)27-18-43-19-27/h1-5,8,13,20,25-28,36,41H,6-7,9-12,14-15,17-19H2,(H,34,37)","MXGWKXACJVUXPT-UHFFFAOYSA-N",null,92000,{"$nulls":4},7]
["D16522",15657,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276978","OCC(=O)N1CC(C1)Oc1ccc(cc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C29H27N5O4/c30-15-21-13-20(3-6-27(21)38-23-16-34(17-23)28(36)18-35)24-7-8-31-29-25(24)14-26(32-29)19-1-4-22(5-2-19)33-9-11-37-12-10-33/h1-8,13-14,23,35H,9-12,16-18H2,(H,31,32)","KZCVWMQROUGANA-UHFFFAOYSA-N",null,32.4]
["D16523",15789,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278052","OCC(=O)N1CC(C1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H30N8O4/c29-12-20-11-19(1-6-25(20)40-24-13-36(14-24)26(38)15-37)27-30-18-31-28(33-27)32-21-2-4-22(5-3-21)34-7-9-35(10-8-34)23-16-39-17-23/h1-6,11,18,23-24,37H,7-10,13-17H2,(H,30,31,32,33)","CQEDZLKRYHRTCK-UHFFFAOYSA-N",null,47]
["D16524",14727,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277876","OCC(=O)N1CC(Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C(F)(F)C1","InChI=1S/C29H30F2N8O4/c30-29(31)17-39(26(41)14-40)13-25(29)43-24-6-1-19(11-20(24)12-32)27-33-18-34-28(36-27)35-21-2-4-22(5-3-21)37-7-9-38(10-8-37)23-15-42-16-23/h1-6,11,18,23,25,40H,7-10,13-17H2,(H,33,34,35,36)","QNPFHFYMWAWHNQ-UHFFFAOYSA-N",null,5]
["D16525",15923,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277950","OCC(=O)N1CC2CC(C1)C2Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C31H34N8O4/c32-13-21-11-20(1-6-27(21)43-29-22-12-23(29)15-39(14-22)28(41)16-40)30-33-19-34-31(36-30)35-24-2-4-25(5-3-24)37-7-9-38(10-8-37)26-17-42-18-26/h1-6,11,19,22-23,26,29,40H,7-10,12,14-18H2,(H,33,34,35,36)","BNCAWOXWTQMWCU-UHFFFAOYSA-N",null,72]
["D16526",15100,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277880","OCC(=O)N1CC2CC(Oc3ccc(cc3C#N)-c3ncnc(Nc4ccc(cc4)N4CCN(CC4)C4COC4)n3)C1C2","InChI=1S/C31H34N8O4/c32-14-22-13-21(1-6-27(22)43-28-12-20-11-26(28)39(15-20)29(41)16-40)30-33-19-34-31(36-30)35-23-2-4-24(5-3-23)37-7-9-38(10-8-37)25-17-42-18-25/h1-6,13,19-20,25-26,28,40H,7-12,15-18H2,(H,33,34,35,36)","UTNHVNLRKRTNPX-UHFFFAOYSA-N",null,11]
["D16527",15209,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277005","OCC(=O)N1CC=C(C1)c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C25H24N4O4/c26-13-18-11-16(1-2-23(18)33-19-5-9-32-10-6-19)20-3-7-27-25-21(20)12-22(28-25)17-4-8-29(14-17)24(31)15-30/h1-4,7,11-12,19,30H,5-6,8-10,14-15H2,(H,27,28)","UXONJEQASGNIRB-UHFFFAOYSA-N",null,14.8,{"$nulls":4},7]
["D16528",14507,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM375305","OCC(=O)N1CCC(C1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C29H32N8O4/c30-14-21-13-20(1-6-26(21)41-25-7-8-37(15-25)27(39)16-38)28-31-19-32-29(34-28)33-22-2-4-23(5-3-22)35-9-11-36(12-10-35)24-17-40-18-24/h1-6,13,19,24-25,38H,7-12,15-18H2,(H,31,32,33,34)","ZTLLEATUBKEADO-UHFFFAOYSA-N",null,3]
["D16529",16108,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276833","OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C31H31N5O4/c32-19-23-17-22(3-6-29(23)40-25-8-11-36(12-9-25)30(38)20-37)26-7-10-33-31-27(26)18-28(34-31)21-1-4-24(5-2-21)35-13-15-39-16-14-35/h1-7,10,17-18,25,37H,8-9,11-16,20H2,(H,33,34)","WVVLRZDQVPKVSV-UHFFFAOYSA-N",null,1.9]
["D16530",15558,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM377176","OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ccnc2[nH]c(cc12)C1=CCC2(CC1)OCCO2","InChI=1S/C29H30N4O5/c30-17-21-15-20(1-2-26(21)38-22-6-11-33(12-7-22)27(35)18-34)23-5-10-31-28-24(23)16-25(32-28)19-3-8-29(9-4-19)36-13-14-37-29/h1-3,5,10,15-16,22,34H,4,6-9,11-14,18H2,(H,31,32)","SXFYXPVAKZPFNY-UHFFFAOYSA-N",null,1.46]
["D16531",18269,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277021","OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ccnc2[nH]c(nc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C30H30N6O4/c31-18-22-17-21(3-6-26(22)40-24-8-11-36(12-9-24)27(38)19-37)25-7-10-32-30-28(25)33-29(34-30)20-1-4-23(5-2-20)35-13-15-39-16-14-35/h1-7,10,17,24,37H,8-9,11-16,19H2,(H,32,33,34)","NIDODHDWVMNVOO-UHFFFAOYSA-N",null,2.3]
["D16532",17117,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277834","OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)C2CCN(CC2)C2COC2)n1","InChI=1S/C31H35N7O4/c32-16-24-15-23(3-6-28(24)42-27-9-13-38(14-10-27)29(40)17-39)30-33-20-34-31(36-30)35-25-4-1-21(2-5-25)22-7-11-37(12-8-22)26-18-41-19-26/h1-6,15,20,22,26-27,39H,7-14,17-19H2,(H,33,34,35,36)","OTUJIVCCULIMCW-UHFFFAOYSA-N",null,2000,{"$nulls":4},7]
["D16533",14969,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277794","OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C30H34N8O4/c31-16-22-15-21(1-6-27(22)42-26-7-9-38(10-8-26)28(40)17-39)29-32-20-33-30(35-29)34-23-2-4-24(5-3-23)36-11-13-37(14-12-36)25-18-41-19-25/h1-6,15,20,25-26,39H,7-14,17-19H2,(H,32,33,34,35)","YZAJAZDIKBMJNV-UHFFFAOYSA-N",null,1]
["D16534",14691,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276951","OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(Cl)cc1","InChI=1S/C26H22ClN5O3/c27-19-4-1-16(2-5-19)22-12-21-25(29-15-30-26(21)31-22)17-3-6-23(18(11-17)13-28)35-20-7-9-32(10-8-20)24(34)14-33/h1-6,11-12,15,20,33H,7-10,14H2,(H,29,30,31)","ZCTTVOCGTHIYCW-UHFFFAOYSA-N",null,4.64]
["D16535",15008,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276982","OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(N2CCOCC2)c(F)c1","InChI=1S/C30H29FN6O4/c31-24-14-19(1-3-26(24)36-9-11-40-12-10-36)25-15-23-29(33-18-34-30(23)35-25)20-2-4-27(21(13-20)16-32)41-22-5-7-37(8-6-22)28(39)17-38/h1-4,13-15,18,22,38H,5-12,17H2,(H,33,34,35)","HXAYGARTNPQTPX-UHFFFAOYSA-N",null,1.02,{"$nulls":4},7]
["D16536",14669,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276952","OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(OC(F)(F)F)cc1","InChI=1S/C27H22F3N5O4/c28-27(29,30)39-20-4-1-16(2-5-20)22-12-21-25(32-15-33-26(21)34-22)17-3-6-23(18(11-17)13-31)38-19-7-9-35(10-8-19)24(37)14-36/h1-6,11-12,15,19,36H,7-10,14H2,(H,32,33,34)","IOIONYMZILVMCR-UHFFFAOYSA-N",null,4.21]
["D16537",15006,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277037","OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(OCCN2CCCC2)cc1","InChI=1S/C32H34N6O4/c33-19-24-17-23(5-8-29(24)42-26-9-13-38(14-10-26)30(40)20-39)31-27-18-28(36-32(27)35-21-34-31)22-3-6-25(7-4-22)41-16-15-37-11-1-2-12-37/h3-8,17-18,21,26,39H,1-2,9-16,20H2,(H,34,35,36)","GVXJFRXNNLRSLI-UHFFFAOYSA-N",null,1.01,{"$nulls":4},7]
["D16538",15561,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276986","OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)C(=O)N1CCCC1","InChI=1S/C31H30N6O4/c32-17-23-15-22(7-8-27(23)41-24-9-13-36(14-10-24)28(39)18-38)29-25-16-26(35-30(25)34-19-33-29)20-3-5-21(6-4-20)31(40)37-11-1-2-12-37/h3-8,15-16,19,24,38H,1-2,9-14,18H2,(H,33,34,35)","XSGVWMDUOODJTB-UHFFFAOYSA-N",null,1.48]
["D16539",15542,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276984","OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)C(=O)N1CCOCC1","InChI=1S/C31H30N6O5/c32-17-23-15-22(5-6-27(23)42-24-7-9-36(10-8-24)28(39)18-38)29-25-16-26(35-30(25)34-19-33-29)20-1-3-21(4-2-20)31(40)37-11-13-41-14-12-37/h1-6,15-16,19,24,38H,7-14,18H2,(H,33,34,35)","WQFRKFJYPSEBPY-UHFFFAOYSA-N",null,1.32]
["D16540",16092,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276987","OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)C(=O)NC1COC1","InChI=1S/C30H28N6O5/c31-13-21-11-20(5-6-26(21)41-23-7-9-36(10-8-23)27(38)14-37)28-24-12-25(35-29(24)33-17-32-28)18-1-3-19(4-2-18)30(39)34-22-15-40-16-22/h1-6,11-12,17,22-23,37H,7-10,14-16H2,(H,34,39)(H,32,33,35)","UNZLCMSGBFLOLV-UHFFFAOYSA-N",null,1.78]
["D16541",14463,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277072","OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCN(CC(F)F)CC1","InChI=1S/C32H33F2N7O3/c33-29(34)18-39-11-13-40(14-12-39)24-4-1-21(2-5-24)27-16-26-31(36-20-37-32(26)38-27)22-3-6-28(23(15-22)17-35)44-25-7-9-41(10-8-25)30(43)19-42/h1-6,15-16,20,25,29,42H,7-14,18-19H2,(H,36,37,38)","XYSVFSRHJPPBQP-UHFFFAOYSA-N",null,0.91,{"$nulls":4},7]
["D16542",14450,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276981","OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCN(CC1)C1COC1","InChI=1S/C33H35N7O4/c34-17-24-15-23(3-6-30(24)44-27-7-9-40(10-8-27)31(42)18-41)32-28-16-29(37-33(28)36-21-35-32)22-1-4-25(5-2-22)38-11-13-39(14-12-38)26-19-43-20-26/h1-6,15-16,21,26-27,41H,7-14,18-20H2,(H,35,36,37)","DVAHGKLQAATZGZ-UHFFFAOYSA-N",null,0.849,{"$nulls":4},7]
["D16543",14427,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277029","OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C30H30N6O4/c31-17-22-15-21(3-6-27(22)40-24-7-9-36(10-8-24)28(38)18-37)29-25-16-26(34-30(25)33-19-32-29)20-1-4-23(5-2-20)35-11-13-39-14-12-35/h1-6,15-16,19,24,37H,7-14,18H2,(H,32,33,34)","KDGONYKXTUCTEW-UHFFFAOYSA-N",null,0.503,{"$nulls":4},7]
["D16544",14705,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277007","OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1cccc(CN2CCOCC2)c1","InChI=1S/C31H32N6O4/c32-17-24-15-23(4-5-28(24)41-25-6-8-37(9-7-25)29(39)19-38)30-26-16-27(35-31(26)34-20-33-30)22-3-1-2-21(14-22)18-36-10-12-40-13-11-36/h1-5,14-16,20,25,38H,6-13,18-19H2,(H,33,34,35)","IAHBPEPPERDPHA-UHFFFAOYSA-N",null,4.99]
["D16545",16104,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276990","OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1cccc(c1)C(=O)N1CCCC1","InChI=1S/C31H30N6O4/c32-17-23-15-21(6-7-27(23)41-24-8-12-36(13-9-24)28(39)18-38)29-25-16-26(35-30(25)34-19-33-29)20-4-3-5-22(14-20)31(40)37-10-1-2-11-37/h3-7,14-16,19,24,38H,1-2,8-13,18H2,(H,33,34,35)","OYYIEVDIWZMYFO-UHFFFAOYSA-N",null,1.86]
["D16546",15560,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276998","OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)C1=CCC2(CC1)OCCO2","InChI=1S/C28H29N5O5/c29-15-20-13-19(1-2-24(20)38-21-5-9-33(10-6-21)25(35)16-34)26-22-14-23(32-27(22)31-17-30-26)18-3-7-28(8-4-18)36-11-12-37-28/h1-3,13-14,17,21,34H,4-12,16H2,(H,30,31,32)","FZHSNZZYHHRLDX-UHFFFAOYSA-N",null,1.46,{"$nulls":4},7]
["D16547",15539,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277049","OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(nc12)-c1ccc(N2CCOCC2)c(F)c1","InChI=1S/C29H28FN7O4/c30-22-14-19(1-3-23(22)36-9-11-40-12-10-36)28-34-27-26(32-17-33-29(27)35-28)18-2-4-24(20(13-18)15-31)41-21-5-7-37(8-6-21)25(39)16-38/h1-4,13-14,17,21,38H,5-12,16H2,(H,32,33,34,35)","VIURSDPOFRRBCH-UHFFFAOYSA-N",null,1.3,{"$nulls":4},7]
["D16548",14549,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277041","OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(nc12)-c1ccc(OCCN2CCCC2)cc1","InChI=1S/C31H33N7O4/c32-18-23-17-22(5-8-26(23)42-25-9-13-38(14-10-25)27(40)19-39)28-29-31(34-20-33-28)36-30(35-29)21-3-6-24(7-4-21)41-16-15-37-11-1-2-12-37/h3-8,17,20,25,39H,1-2,9-16,19H2,(H,33,34,35,36)","QRICOSSIVLKBBT-UHFFFAOYSA-N",null,3.33]
["D16549",14576,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277065","OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(nc12)-c1ccc(cc1)C1CCN(CC(F)(F)F)CC1","InChI=1S/C32H32F3N7O3/c33-32(34,35)18-41-11-7-21(8-12-41)20-1-3-22(4-2-20)30-39-29-28(37-19-38-31(29)40-30)23-5-6-26(24(15-23)16-36)45-25-9-13-42(14-10-25)27(44)17-43/h1-6,15,19,21,25,43H,7-14,17-18H2,(H,37,38,39,40)","MCVZGUNLGAFYGU-UHFFFAOYSA-N",null,3.8]
["D16550",16069,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277063","OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(nc12)-c1ccc(cc1)C1CCN(CC(F)F)CC1","InChI=1S/C32H33F2N7O3/c33-27(34)17-40-11-7-21(8-12-40)20-1-3-22(4-2-20)31-38-30-29(36-19-37-32(30)39-31)23-5-6-26(24(15-23)16-35)44-25-9-13-41(14-10-25)28(43)18-42/h1-6,15,19,21,25,27,42H,7-14,17-18H2,(H,36,37,38,39)","HXICXBITQYMWNF-UHFFFAOYSA-N",null,1.53]
["D16551",14464,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM377246","OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(nc12)-c1ccc(cc1)N1CCN(CC(F)F)CC1","InChI=1S/C31H32F2N8O3/c32-26(33)17-39-11-13-40(14-12-39)23-4-1-20(2-5-23)30-37-29-28(35-19-36-31(29)38-30)21-3-6-25(22(15-21)16-34)44-24-7-9-41(10-8-24)27(43)18-42/h1-6,15,19,24,26,42H,7-14,17-18H2,(H,35,36,37,38)","NJHKIODSBLMIFA-UHFFFAOYSA-N",null,0.91]
["D16552",17747,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276914","OCC(=O)N1CCC(CC1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(nc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C29H29N7O4/c30-16-21-15-20(3-6-24(21)40-23-7-9-36(10-8-23)25(38)17-37)26-27-29(32-18-31-26)34-28(33-27)19-1-4-22(5-2-19)35-11-13-39-14-12-35/h1-6,15,18,23,37H,7-14,17H2,(H,31,32,33,34)","GRIJRASLOUHMJH-UHFFFAOYSA-N",null,2.07]
["D16553",16256,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144205","OCC(=O)N1CCC(CCn2cc(Nc3cc(ccn3)-c3ccc(OC4CCOCC4)c(c3)C#N)cn2)CC1","InChI=1S/C29H34N6O4/c30-17-24-15-22(1-2-27(24)39-26-7-13-38-14-8-26)23-3-9-31-28(16-23)33-25-18-32-35(19-25)12-6-21-4-10-34(11-5-21)29(37)20-36/h1-3,9,15-16,18-19,21,26,36H,4-8,10-14,20H2,(H,31,33)","PNYUSFRZJAPJCP-UHFFFAOYSA-N",null,120,{"$nulls":4},7.5,"30.00 C"]
["D16554",14473,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM375643","OCC(=O)N1CCC(Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(N4CCN(CC4)C4COC4)c(c3)C(F)(F)F)n2)[C@H](F)C1","InChI=1S/C31H32F4N8O4/c32-24-14-43(28(45)15-44)6-5-27(24)47-26-4-1-19(11-20(26)13-36)29-37-18-38-30(40-29)39-21-2-3-25(23(12-21)31(33,34)35)42-9-7-41(8-10-42)22-16-46-17-22/h1-4,11-12,18,22,24,27,44H,5-10,14-17H2,(H,37,38,39,40)/t24-,27?/m1/s1","MFZJXLOBLNKOFV-DXDQHDRFSA-N",null,3]
["D16555",14993,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277929","OCC(=O)N1CCC(Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C(F)(F)C1","InChI=1S/C30H32F2N8O4/c31-30(32)18-40(27(42)15-41)8-7-26(30)44-25-6-1-20(13-21(25)14-33)28-34-19-35-29(37-28)36-22-2-4-23(5-3-22)38-9-11-39(12-10-38)24-16-43-17-24/h1-6,13,19,24,26,41H,7-12,15-18H2,(H,34,35,36,37)","RBTZIYDJVWQOAH-UHFFFAOYSA-N",null,1]
["D16556",16098,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276999","OCC(=O)N1CCC(Oc2cnc(cc2C#N)-c2ccnc3[nH]c(cc23)-c2ccc(cc2)N2CCN(CC2)C2COC2)C(F)(F)C1","InChI=1S/C33H33F2N7O4/c34-33(35)20-42(31(44)17-43)8-6-30(33)46-29-16-38-28(13-22(29)15-36)25-5-7-37-32-26(25)14-27(39-32)21-1-3-23(4-2-21)40-9-11-41(12-10-40)24-18-45-19-24/h1-5,7,13-14,16,24,30,43H,6,8-12,17-20H2,(H,37,39)","DHXXPWJCLLMHRC-UHFFFAOYSA-N",null,1.81]
["D16557",15092,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277875","OCC(=O)N1CCCC(CC1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C31H36N8O4/c32-17-23-16-22(3-8-28(23)43-27-2-1-10-39(11-9-27)29(41)18-40)30-33-21-34-31(36-30)35-24-4-6-25(7-5-24)37-12-14-38(15-13-37)26-19-42-20-26/h3-8,16,21,26-27,40H,1-2,9-15,18-20H2,(H,33,34,35,36)","IGNSKWZFASYAKQ-UHFFFAOYSA-N",null,11]
["D16558",16357,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277905","OCC(=O)N1CCC[C@@H](C1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C30H34N8O4/c31-15-22-14-21(3-8-27(22)42-26-2-1-9-38(16-26)28(40)17-39)29-32-20-33-30(35-29)34-23-4-6-24(7-5-23)36-10-12-37(13-11-36)25-18-41-19-25/h3-8,14,20,25-26,39H,1-2,9-13,16-19H2,(H,32,33,34,35)/t26-/m0/s1","GRMNZGJJAHSVGX-SANMLTNESA-N",null,180]
["D16559",15638,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277903","OCC(=O)N1CCC[C@H](C1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C30H34N8O4/c31-15-22-14-21(3-8-27(22)42-26-2-1-9-38(16-26)28(40)17-39)29-32-20-33-30(35-29)34-23-4-6-24(7-5-23)36-10-12-37(13-11-36)25-18-41-19-25/h3-8,14,20,25-26,39H,1-2,9-13,16-19H2,(H,32,33,34,35)/t26-/m1/s1","GRMNZGJJAHSVGX-AREMUKBSSA-N",null,31]
["D16560",32279,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50445995","OCC(=O)N1CCN(CC1)C(=O)N1CCN(CC1)c1ccc(Cl)cc1","InChI=1S/C17H23ClN4O3/c18-14-1-3-15(4-2-14)19-5-9-21(10-6-19)17(25)22-11-7-20(8-12-22)16(24)13-23/h1-4,23H,5-13H2","CSACMNDNRCQWNM-UHFFFAOYSA-N",null,">30000"]
["D16561",15002,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277842","OCC(=O)N1CCN(CC1)c1ccc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cc1","InChI=1S/C27H29N7O4/c28-16-20-15-19(1-6-24(20)38-23-7-13-37-14-8-23)26-29-18-30-27(32-26)31-21-2-4-22(5-3-21)33-9-11-34(12-10-33)25(36)17-35/h1-6,15,18,23,35H,7-14,17H2,(H,29,30,31,32)","IXDMXRHYHSPEGR-UHFFFAOYSA-N",null,1]
["D16562",17742,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276870","OCC(=O)N1CCN(CC1)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C31H31N5O4/c32-19-23-17-22(3-6-29(23)40-25-8-15-39-16-9-25)26-7-10-33-31-27(26)18-28(34-31)21-1-4-24(5-2-21)35-11-13-36(14-12-35)30(38)20-37/h1-7,10,17-18,25,37H,8-9,11-16,20H2,(H,33,34)","VOPOLSPZVRKLLA-UHFFFAOYSA-N",null,2.02]
["D16563",15289,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276837","OCC(=O)N1CC[C@@H](C1)Oc1ccc(cc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C30H29N5O4/c31-17-22-15-21(3-6-28(22)39-24-8-10-35(18-24)29(37)19-36)25-7-9-32-30-26(25)16-27(33-30)20-1-4-23(5-2-20)34-11-13-38-14-12-34/h1-7,9,15-16,24,36H,8,10-14,18-19H2,(H,32,33)/t24-/m0/s1","ZHQUWWWIBAHOPH-DEOSSOPVSA-N",null,16.2]
["D16564",14991,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277931","OCC(=O)N1CC[C@@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C(F)(F)C1","InChI=1S/C30H32F2N8O4/c31-30(32)18-40(27(42)15-41)8-7-26(30)44-25-6-1-20(13-21(25)14-33)28-34-19-35-29(37-28)36-22-2-4-23(5-3-22)38-9-11-39(12-10-38)24-16-43-17-24/h1-6,13,19,24,26,41H,7-12,15-18H2,(H,34,35,36,37)/t26-/m1/s1","RBTZIYDJVWQOAH-AREMUKBSSA-N",null,1]
["D16565",14995,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277996","OCC(=O)N1CC[C@@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@@H](F)C1","InChI=1S/C30H33FN8O4/c31-25-15-39(28(41)16-40)8-7-27(25)43-26-6-1-20(13-21(26)14-32)29-33-19-34-30(36-29)35-22-2-4-23(5-3-22)37-9-11-38(12-10-37)24-17-42-18-24/h1-6,13,19,24-25,27,40H,7-12,15-18H2,(H,33,34,35,36)/t25-,27+/m0/s1","RRMXVDMTIFLZPK-AHKZPQOWSA-N",null,1]
["D16566",16646,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278013","OCC(=O)N1CC[C@@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C30H33FN8O4/c31-25-15-39(28(41)16-40)8-7-27(25)43-26-6-1-20(13-21(26)14-32)29-33-19-34-30(36-29)35-22-2-4-23(5-3-22)37-9-11-38(12-10-37)24-17-42-18-24/h1-6,13,19,24-25,27,40H,7-12,15-18H2,(H,33,34,35,36)/t25-,27-/m1/s1","RRMXVDMTIFLZPK-XNMGPUDCSA-N",null,2]
["D16567",15547,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276829","OCC(=O)N1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C30H29N5O4/c31-17-22-15-21(3-6-28(22)39-24-8-10-35(18-24)29(37)19-36)25-7-9-32-30-26(25)16-27(33-30)20-1-4-23(5-2-20)34-11-13-38-14-12-34/h1-7,9,15-16,24,36H,8,10-14,18-19H2,(H,32,33)/t24-/m1/s1","ZHQUWWWIBAHOPH-XMMPIXPASA-N",null,1.34]
["D16568",14686,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277019","OCC(=O)N1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ccnc2[nH]c(nc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C29H28N6O4/c30-16-21-15-20(3-6-25(21)39-23-8-10-35(17-23)26(37)18-36)24-7-9-31-29-27(24)32-28(33-29)19-1-4-22(5-2-19)34-11-13-38-14-12-34/h1-7,9,15,23,36H,8,10-14,17-18H2,(H,31,32,33)/t23-/m1/s1","TZZMPSWHENHNOS-HSZRJFAPSA-N",null,4.5]
["D16569",17380,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277808","OCC(=O)N1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C29H32N8O4/c30-14-21-13-20(1-6-26(21)41-25-7-8-37(15-25)27(39)16-38)28-31-19-32-29(34-28)33-22-2-4-23(5-3-22)35-9-11-36(12-10-35)24-17-40-18-24/h1-6,13,19,24-25,38H,7-12,15-18H2,(H,31,32,33,34)/t25-/m1/s1","ZTLLEATUBKEADO-RUZDIDTESA-N",null,3000,{"$nulls":4},7]
["D16570",14814,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277881","OCC(=O)N1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCOCC2)n1","InChI=1S/C26H27N7O4/c27-14-19-13-18(1-6-23(19)37-22-7-8-33(15-22)24(35)16-34)25-28-17-29-26(31-25)30-20-2-4-21(5-3-20)32-9-11-36-12-10-32/h1-6,13,17,22,34H,7-12,15-16H2,(H,28,29,30,31)/t22-/m1/s1","PMFUQFGVPNUQHJ-JOCHJYFZSA-N",null,6]
["D16571",15453,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277859","OCC(=O)N1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ncnc(Nc2cccc(c2)N2CCOCC2)n1","InChI=1S/C26H27N7O4/c27-14-19-12-18(4-5-23(19)37-22-6-7-33(15-22)24(35)16-34)25-28-17-29-26(31-25)30-20-2-1-3-21(13-20)32-8-10-36-11-9-32/h1-5,12-13,17,22,34H,6-11,15-16H2,(H,28,29,30,31)/t22-/m1/s1","DLGOLPMIWUFODI-JOCHJYFZSA-N",null,27]
["D16572",16082,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276917","OCC(=O)N1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(nc12)-c1ccc(cc1)N1CCOCC1",{"$nulls":3},1.68]
["D16573",16681,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278369","OCC(=O)N1CC[C@H](COc2cc(cc(c2)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C#N)C1","InChI=1S/C30H34N8O4/c31-14-22-11-23(13-27(12-22)42-17-21-5-6-38(15-21)28(40)16-39)29-32-20-33-30(35-29)34-24-1-3-25(4-2-24)36-7-9-37(10-8-36)26-18-41-19-26/h1-4,11-13,20-21,26,39H,5-10,15-19H2,(H,32,33,34,35)/t21-/m0/s1","BMOBONJWPXLZBD-NRFANRHFSA-N",null,474]
["D16574",14639,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278107","OCC(=O)N1CC[C@H](Oc2c(F)cc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C30H32F2N8O4/c31-24-12-19(11-20(13-33)28(24)44-26-5-6-40(14-25(26)32)27(42)15-41)29-34-18-35-30(37-29)36-21-1-3-22(4-2-21)38-7-9-39(10-8-38)23-16-43-17-23/h1-4,11-12,18,23,25-26,41H,5-10,14-17H2,(H,34,35,36,37)/t25-,26+/m1/s1","CWMZYYOGUALWPX-FTJBHMTQSA-N",null,4]
["D16575",17347,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278085","OCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(N4CCN(CC4)C4CCOCC4)c(F)c3)n2)[C@H](F)C1","InChI=1S/C32H36F2N8O4/c33-25-16-23(2-3-27(25)41-11-9-40(10-12-41)24-6-13-45-14-7-24)38-32-37-20-36-31(39-32)21-1-4-28(22(15-21)17-35)46-29-5-8-42(18-26(29)34)30(44)19-43/h1-4,15-16,20,24,26,29,43H,5-14,18-19H2,(H,36,37,38,39)/t26-,29+/m1/s1","RQHCLCYNRFVASZ-UHSQPCAPSA-N",null,3000,{"$nulls":4},7]
["D16576",14974,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278018","OCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(N4CCN(CC4)C4COC4)c(F)c3)n2)[C@H](F)C1","InChI=1S/C30H32F2N8O4/c31-23-12-21(2-3-25(23)39-9-7-38(8-10-39)22-16-43-17-22)36-30-35-18-34-29(37-30)19-1-4-26(20(11-19)13-33)44-27-5-6-40(14-24(27)32)28(42)15-41/h1-4,11-12,18,22,24,27,41H,5-10,14-17H2,(H,34,35,36,37)/t24-,27+/m1/s1","FHLLNZWBSIFZNM-SQHAQQRYSA-N",null,1]
["D16577",17316,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278171","OCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(N4CCN(CC4)C4COC4)c(OC(F)F)c3)n2)[C@H](F)C1","InChI=1S/C31H33F3N8O5/c32-23-14-42(28(44)15-43)6-5-26(23)46-25-4-1-19(11-20(25)13-35)29-36-18-37-31(39-29)38-21-2-3-24(27(12-21)47-30(33)34)41-9-7-40(8-10-41)22-16-45-17-22/h1-4,11-12,18,22-23,26,30,43H,5-10,14-17H2,(H,36,37,38,39)/t23-,26+/m1/s1","RFYXJCRAXNSLMY-BVAGGSTKSA-N",null,3000,{"$nulls":4},7]
["D16578",17336,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278146","OCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(N4CCN(CC4)C4COC4)c(c3)C(F)(F)F)n2)[C@H](F)C1","InChI=1S/C31H32F4N8O4/c32-24-14-43(28(45)15-44)6-5-27(24)47-26-4-1-19(11-20(26)13-36)29-37-18-38-30(40-29)39-21-2-3-25(23(12-21)31(33,34)35)42-9-7-41(8-10-42)22-16-46-17-22/h1-4,11-12,18,22,24,27,44H,5-10,14-17H2,(H,37,38,39,40)/t24-,27+/m1/s1","MFZJXLOBLNKOFV-SQHAQQRYSA-N",null,3000,{"$nulls":4},7]
["D16579",17077,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278083","OCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)C3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C31H34FN7O4/c32-26-15-39(29(41)16-40)12-9-28(26)43-27-6-3-22(13-23(27)14-33)30-34-19-35-31(37-30)36-24-4-1-20(2-5-24)21-7-10-38(11-8-21)25-17-42-18-25/h1-6,13,19,21,25-26,28,40H,7-12,15-18H2,(H,34,35,36,37)/t26-,28+/m1/s1","XXJDZHFAASXZSR-IAPPQJPRSA-N",null,2000,{"$nulls":4},7]
["D16580",17078,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278084","OCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3CCOCC3)n2)[C@H](F)C1","InChI=1S/C32H37FN8O4/c33-27-19-41(30(43)20-42)10-7-29(27)45-28-6-1-22(17-23(28)18-34)31-35-21-36-32(38-31)37-24-2-4-25(5-3-24)39-11-13-40(14-12-39)26-8-15-44-16-9-26/h1-6,17,21,26-27,29,42H,7-16,19-20H2,(H,35,36,37,38)/t27-,29+/m1/s1","CFGLRPXBMZDEPY-PXJZQJOASA-N",null,2000,{"$nulls":4},7]
["D16581",14928,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277930","OCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C(F)(F)C1","InChI=1S/C30H32F2N8O4/c31-30(32)18-40(27(42)15-41)8-7-26(30)44-25-6-1-20(13-21(25)14-33)28-34-19-35-29(37-28)36-22-2-4-23(5-3-22)38-9-11-39(12-10-38)24-16-43-17-24/h1-6,13,19,24,26,41H,7-12,15-18H2,(H,34,35,36,37)/t26-/m0/s1","RBTZIYDJVWQOAH-SANMLTNESA-N",null,8]
["D16582",15018,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278217","OCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@@H](C1)C(F)(F)F","InChI=1S/C31H33F3N8O4/c32-31(33,34)25-15-42(28(44)16-43)8-7-27(25)46-26-6-1-20(13-21(26)14-35)29-36-19-37-30(39-29)38-22-2-4-23(5-3-22)40-9-11-41(12-10-40)24-17-45-18-24/h1-6,13,19,24-25,27,43H,7-12,15-18H2,(H,36,37,38,39)/t25-,27+/m1/s1","SBFMZRPSTCAHQA-VPUSJEBWSA-N",null,9]
["D16583",16642,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277998","OCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@@H](F)C1","InChI=1S/C30H33FN8O4/c31-25-15-39(28(41)16-40)8-7-27(25)43-26-6-1-20(13-21(26)14-32)29-33-19-34-30(36-29)35-22-2-4-23(5-3-22)37-9-11-38(12-10-37)24-17-42-18-24/h1-6,13,19,24-25,27,40H,7-12,15-18H2,(H,33,34,35,36)/t25-,27-/m0/s1","RRMXVDMTIFLZPK-BDYUSTAISA-N",null,2]
["D16584",14799,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278216","OCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](C1)C(F)(F)F","InChI=1S/C31H33F3N8O4/c32-31(33,34)25-15-42(28(44)16-43)8-7-27(25)46-26-6-1-20(13-21(26)14-35)29-36-19-37-30(39-29)38-22-2-4-23(5-3-22)40-9-11-41(12-10-40)24-17-45-18-24/h1-6,13,19,24-25,27,43H,7-12,15-18H2,(H,36,37,38,39)/t25-,27-/m0/s1","SBFMZRPSTCAHQA-BDYUSTAISA-N",null,6]
["D16585",14973,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278015","OCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C30H33FN8O4/c31-25-15-39(28(41)16-40)8-7-27(25)43-26-6-1-20(13-21(26)14-32)29-33-19-34-30(36-29)35-22-2-4-23(5-3-22)37-9-11-38(12-10-37)24-17-42-18-24/h1-6,13,19,24-25,27,40H,7-12,15-18H2,(H,33,34,35,36)/t25-,27+/m1/s1","RRMXVDMTIFLZPK-VPUSJEBWSA-N",null,1]
["D16586",14478,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278285","OCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3cn[nH]c3)n2)[C@H](F)C1",{"$nulls":3},3]
["D16587",17178,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278139","OCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3cnn(CC(F)F)c3)n2)[C@H](F)C1","InChI=1S/C22H21F3N8O3/c23-16-9-32(20(35)11-34)4-3-18(16)36-17-2-1-13(5-14(17)6-26)21-27-12-28-22(31-21)30-15-7-29-33(8-15)10-19(24)25/h1-2,5,7-8,12,16,18-19,34H,3-4,9-11H2,(H,27,28,30,31)/t16-,18+/m1/s1","XFQGLEVRHJHNBR-AEFFLSMTSA-N",null,2]
["D16588",14745,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM375729","OCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3cnn(c3)C(F)F)n2)[C@H](F)C1","InChI=1S/C21H19F3N8O3/c22-15-9-31(18(34)10-33)4-3-17(15)35-16-2-1-12(5-13(16)6-25)19-26-11-27-21(30-19)29-14-7-28-32(8-14)20(23)24/h1-2,5,7-8,11,15,17,20,33H,3-4,9-10H2,(H,26,27,29,30)/t15-,17+/m1/s1","CCNUFZSUSDCFGN-WBVHZDCISA-N",null,5]
["D16589",15196,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277971","OCC(=O)N1C[C@@H](F)[C@@H](C1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C29H31FN8O4/c30-24-13-38(27(40)15-39)14-26(24)42-25-6-1-19(11-20(25)12-31)28-32-18-33-29(35-28)34-21-2-4-22(5-3-21)36-7-9-37(10-8-36)23-16-41-17-23/h1-6,11,18,23-24,26,39H,7-10,13-17H2,(H,32,33,34,35)/t24-,26-/m1/s1","FDGZSQQHMCJQRW-AOYPEHQESA-N",null,14]
["D16590",16243,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277974","OCC(=O)N1C[C@@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C(F)(F)C1","InChI=1S/C29H30F2N8O4/c30-29(31)17-39(26(41)14-40)13-25(29)43-24-6-1-19(11-20(24)12-32)27-33-18-34-28(36-27)35-21-2-4-22(5-3-21)37-7-9-38(10-8-37)23-15-42-16-23/h1-6,11,18,23,25,40H,7-10,13-17H2,(H,33,34,35,36)/t25-/m1/s1","QNPFHFYMWAWHNQ-RUZDIDTESA-N",null,114]
["D16591",17690,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277879","OCC(=O)N1C[C@H](F)[C@@H](C1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C29H31FN8O4/c30-24-13-38(27(40)15-39)14-26(24)42-25-6-1-19(11-20(25)12-31)28-32-18-33-29(35-28)34-21-2-4-22(5-3-21)36-7-9-37(10-8-36)23-16-41-17-23/h1-6,11,18,23-24,26,39H,7-10,13-17H2,(H,32,33,34,35)/t24-,26+/m0/s1","FDGZSQQHMCJQRW-AZGAKELHSA-N",null,14000,{"$nulls":4},7]
["D16592",17083,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277973","OCC(=O)N1C[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C(F)(F)C1","InChI=1S/C29H30F2N8O4/c30-29(31)17-39(26(41)14-40)13-25(29)43-24-6-1-19(11-20(24)12-32)27-33-18-34-28(36-27)35-21-2-4-22(5-3-21)37-7-9-38(10-8-37)23-15-42-16-23/h1-6,11,18,23,25,40H,7-10,13-17H2,(H,33,34,35,36)/t25-/m0/s1","QNPFHFYMWAWHNQ-VWLOTQADSA-N",null,2000,{"$nulls":4},7]
["D16593",15500,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245955","OCC(=O)Nc1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1","InChI=1S/C21H19FN8O2/c22-15-4-6-30(11-15)20-13(8-23)7-14(9-26-20)17-3-5-24-21(28-17)27-16-1-2-18(25-10-16)29-19(32)12-31/h1-3,5,7,9-10,15,31H,4,6,11-12H2,(H,24,27,28)(H,25,29,32)/t15-/m0/s1","AYQFDNXVIZANTF-HNNXBMFYSA-N",null,"<30",{"$nulls":4},7.5]
["D16594",16621,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278358","OCC(O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C(F)(F)C1","InChI=1S/C31H34F2N8O5/c32-31(33)18-41(29(44)25(43)15-42)8-7-27(31)46-26-6-1-20(13-21(26)14-34)28-35-19-36-30(38-28)37-22-2-4-23(5-3-22)39-9-11-40(12-10-39)24-16-45-17-24/h1-6,13,19,24-25,27,42-43H,7-12,15-18H2,(H,35,36,37,38)/t25?,27-/m0/s1","JFXFMSJQRUXRSJ-GPNIZQGCSA-N",null,2]
["D16595",14645,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278126","OCC(O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C31H35FN8O5/c32-25-15-40(30(43)26(42)16-41)8-7-28(25)45-27-6-1-20(13-21(27)14-33)29-34-19-35-31(37-29)36-22-2-4-23(5-3-22)38-9-11-39(12-10-38)24-17-44-18-24/h1-6,13,19,24-26,28,41-42H,7-12,15-18H2,(H,34,35,36,37)/t25-,26?,28+/m1/s1","GKJOCWMFOAWFSA-FKKPLYEASA-N",null,4]
["D16596",31633,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50402977","OCC(O)[C@H]1NC[C@H](O)[C@@H]1O","InChI=1S/C6H13NO4/c8-2-4(10)5-6(11)3(9)1-7-5/h3-11H,1-2H2/t3-,4?,5+,6-/m0/s1","RVNSAAIWCWTCTJ-CEZCPVKQSA-N",53000,{"$nulls":5},6.8]
["D16597",15287,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM276989","OCC1(CO)CC(C1)Oc1ccc(cc1C#N)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1","InChI=1S/C29H29N5O4/c30-15-21-11-20(3-6-26(21)38-23-13-29(14-23,16-35)17-36)27-24-12-25(33-28(24)32-18-31-27)19-1-4-22(5-2-19)34-7-9-37-10-8-34/h1-6,11-12,18,23,35-36H,7-10,13-14,16-17H2,(H,31,32,33)","ZEZYEGUZMPZGDL-UHFFFAOYSA-N",null,16.2]
["D16598",17815,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569830","OCC1(COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(c34)C(F)(F)F)c(F)c2)=NC1)C#N",{"$nulls":3},">20000"]
["D16599",17816,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569831","OCC1(COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(c34)C(F)(F)F)c(F)c2)=NC1)C(F)F",{"$nulls":3},">20000"]
["D16600",17823,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569838","OCC1(COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(c34)C(F)(F)F)c(F)c2)=NC1)c1ccccc1",{"$nulls":3},">20000"]
["D16601",17913,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570022","OCC1(F)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5cc(F)cc(F)c5)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D16602",17912,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570021","OCC1(F)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5cc(F)ccc5F)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D16603",17978,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570052","OCC1(F)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5ccc(F)c(F)c5)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D16604",17915,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570024","OCC1(F)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5ccc(F)cc5F)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D16605",17920,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570029","OCC1(F)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5ccc(cc5)C(F)(F)F)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D16606",17916,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570025","OCC1(F)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5ccc(cc5)C(F)F)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D16607",17043,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570023","OCC1(F)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5cccc(F)c5F)c34)c(F)c2)=NC1",{"$nulls":3},1600]
["D16608",17921,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570031","OCC1(F)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(-c5ccnn5C5CC5)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D16609",17865,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569846","OCC1(F)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(C5CC5)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D16610",17995,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569980","OCC1(F)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(C5CCC5)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D16611",17994,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569979","OCC1(F)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(C5CCOC5)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D16612",17993,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569978","OCC1(F)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(CCC(F)(F)F)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D16613",18017,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570002","OCC1(F)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(CCCC#N)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D16614",17988,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569973","OCC1(F)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(CCOC(F)(F)F)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D16615",17027,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569859","OCC1(F)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(Cl)c34)c(F)c2)=NC1",{"$nulls":3},1500]
["D16616",16752,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569835","OCC1(F)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(c34)C(F)(F)F)c(F)c2)=NC1",{"$nulls":3},610]
["D16617",18012,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569997","OCC1(F)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(c34)C3(O)COC3)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D16618",18021,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM570006","OCC1(F)COC(Nc2cc(F)c(Oc3ccnc4[nH]ccc34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D16619",17822,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569837","OCC1(O)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(c34)C(F)(F)F)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D16620",4372,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM31081","OCC12OC(C=C1)c1c(O)n(c(O)c21)-c1ccc(cc1)-c1ccccc1","InChI=1S/C21H17NO4/c23-12-21-11-10-16(26-21)17-18(21)20(25)22(19(17)24)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-11,16,23-25H,12H2","LTSINZLXJSUFMN-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16621",17848,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569957","OCC1CCOC(Nc2cc(F)c(Oc3ccnc4[nH]cc(Cl)c34)c(F)c2)=N1",{"$nulls":3},">20000"]
["D16622",17109,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277885","OCC1CN(CCO1)c1ccc(Nc2ncnc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cc1","InChI=1S/C26H28N6O4/c27-14-19-13-18(1-6-24(19)36-22-7-10-34-11-8-22)25-28-17-29-26(31-25)30-20-2-4-21(5-3-20)32-9-12-35-23(15-32)16-33/h1-6,13,17,22-23,33H,7-12,15-16H2,(H,28,29,30,31)","UNUDQEHVEBNXEJ-UHFFFAOYSA-N",null,2000,{"$nulls":4},7]
["D16623",17844,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569953","OCC1CN=C(Nc2cc(F)c(Oc3ccnc4[nH]cc(Cl)c34)c(F)c2)O1",{"$nulls":3},">20000"]
["D16624",15490,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246009","OCC1COC(=O)N1Cc1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1","InChI=1S/C24H23FN8O3/c25-17-4-6-32(11-17)22-15(8-26)7-16(9-29-22)21-3-5-27-23(31-21)30-18-1-2-19(28-10-18)12-33-20(13-34)14-36-24(33)35/h1-3,5,7,9-10,17,20,34H,4,6,11-14H2,(H,27,30,31)/t17-,20?/m0/s1","IFBIVJHYFATESF-DIMJTDRSSA-N",null,"<30",{"$nulls":4},7.5]
["D16625",17826,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569841","OCC1COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(Br)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D16626",17862,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569843","OCC1COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(C#N)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D16627",17877,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569858","OCC1COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(Cl)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D16628",17819,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569834","OCC1COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(c34)C(F)(F)F)c(F)c2)=N1",{"$nulls":3},">20000"]
["D16629",17813,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569828","OCC1COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(c34)C(F)(F)F)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D16630",18007,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569992","OCC1CSC(Nc2cc(F)c(Oc3ccnc4[nH]cc(Cl)c34)c(F)c2)=NC1",{"$nulls":3},">20000"]
["D16631",12130,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM60521","OCCC(=Cc1ccccc1)C(=O)NN=Cc1ccc(O)cc1O","InChI=1S/C18H18N2O4/c21-9-8-14(10-13-4-2-1-3-5-13)18(24)20-19-12-15-6-7-16(22)11-17(15)23/h1-7,10-12,21-23H,8-9H2,(H,20,24)","ATGSQJIRVOZMHS-UHFFFAOYSA-N",null,5368]
["D16632",12133,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM5209","OCCC(=Cc1ccccc1)C(=O)NN=Cc1ccccc1O","InChI=1S/C18H18N2O3/c21-11-10-15(12-14-6-2-1-3-7-14)18(23)20-19-13-16-8-4-5-9-17(16)22/h1-9,12-13,21-22H,10-11H2,(H,20,23)","VAKTYADCYHVMJR-UHFFFAOYSA-N",null,5522]
["D16633",18106,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278233","OCCC(=O)C1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3cnn(c3)C(F)F)n2)[C@H](F)C1","InChI=1S/C23H22F3N7O3/c24-17-8-13(18(35)5-6-34)1-4-20(17)36-19-3-2-14(7-15(19)9-27)21-28-12-29-23(32-21)31-16-10-30-33(11-16)22(25)26/h2-3,7,10-13,17,20,22,34H,1,4-6,8H2,(H,28,29,31,32)/t13?,17-,20+/m1/s1","HRXUJFCOHAOJJM-ILWAZIRXSA-N",null,57000,{"$nulls":4},7]
["D16634",15282,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277867","OCCC(=O)N1CC[C@H](C1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C30H34N8O4/c31-16-22-15-21(1-6-27(22)42-26-7-9-38(17-26)28(40)8-14-39)29-32-20-33-30(35-29)34-23-2-4-24(5-3-23)36-10-12-37(13-11-36)25-18-41-19-25/h1-6,15,20,25-26,39H,7-14,17-19H2,(H,32,33,34,35)/t26-/m1/s1","FZSLRMXXPFMIOL-AREMUKBSSA-N",null,16]
["D16635",14874,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278109","OCCC(=O)N1CC[C@H](Oc2c(F)cc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C31H34F2N8O4/c32-25-14-20(13-21(15-34)29(25)45-27-5-7-41(16-26(27)33)28(43)6-12-42)30-35-19-36-31(38-30)37-22-1-3-23(4-2-22)39-8-10-40(11-9-39)24-17-44-18-24/h1-4,13-14,19,24,26-27,42H,5-12,16-18H2,(H,35,36,37,38)/t26-,27+/m1/s1","LMQJFZKYBABCMS-SXOMAYOGSA-N",null,7]
["D16636",17100,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277939","OCCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C(F)(F)C1","InChI=1S/C31H34F2N8O4/c32-31(33)19-41(28(43)8-14-42)9-7-27(31)45-26-6-1-21(15-22(26)16-34)29-35-20-36-30(38-29)37-23-2-4-24(5-3-23)39-10-12-40(13-11-39)25-17-44-18-25/h1-6,15,20,25,27,42H,7-14,17-19H2,(H,35,36,37,38)/t27-/m0/s1","WIMFNFKGCVHWNT-MHZLTWQESA-N",null,2000,{"$nulls":4},7]
["D16637",14625,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277917","OCCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C31H35FN8O4/c32-26-17-40(29(42)8-14-41)9-7-28(26)44-27-6-1-21(15-22(27)16-33)30-34-20-35-31(37-30)36-23-2-4-24(5-3-23)38-10-12-39(13-11-38)25-18-43-19-25/h1-6,15,20,25-26,28,41H,7-14,17-19H2,(H,34,35,36,37)/t26-,28+/m1/s1","PVNQDDXPUOQARK-IAPPQJPRSA-N",null,4]
["D16638",15851,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM375730","OCCC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3cnn(c3)C(F)F)n2)[C@H](F)C1","InChI=1S/C22H21F3N8O3/c23-16-11-32(19(35)4-6-34)5-3-18(16)36-17-2-1-13(7-14(17)8-26)20-27-12-28-22(31-20)30-15-9-29-33(10-15)21(24)25/h1-2,7,9-10,12,16,18,21,34H,3-6,11H2,(H,27,28,30,31)/t16-,18+/m1/s1","ANVBJUPKQASFMW-AEFFLSMTSA-N",null,57]
["D16639",4406,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66327","OCCC1Oc2cccnc2NC1=O","InChI=1S/C9H10N2O3/c12-5-3-7-9(13)11-8-6(14-7)2-1-4-10-8/h1-2,4,7,12H,3,5H2,(H,10,11,13)","XOPGOUFNCUZCBT-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16640",11988,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43120","OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1)c1ccc(Br)cc1","InChI=1S/C28H33BrN2O6/c29-23-6-4-21(5-7-23)22-16-26(37-27(17-22)34-14-2-1-13-32)28(33)31-11-9-30(10-12-31)18-20-3-8-24-25(15-20)36-19-35-24/h3-8,15-16,22,27,32H,1-2,9-14,17-19H2/t22-,27+/m1/s1","IZLJQDMHULWICH-AMGIVPHBSA-N",{"$nulls":3},">79370"]
["D16641",11987,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43119","OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1)c1ccc(cc1)C(F)(F)F","InChI=1S/C29H33F3N2O6/c30-29(31,32)23-6-4-21(5-7-23)22-16-26(40-27(17-22)37-14-2-1-13-35)28(36)34-11-9-33(10-12-34)18-20-3-8-24-25(15-20)39-19-38-24/h3-8,15-16,22,27,35H,1-2,9-14,17-19H2/t22-,27+/m1/s1","CGWJDORVWUJCPV-AMGIVPHBSA-N",{"$nulls":3},">79370"]
["D16642",17266,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397721","OCCCN(CC(F)(F)F)C(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C21H22F3N7O3/c22-21(23,24)12-31(4-1-5-32)19(33)11-28-15-6-14(8-26-16(15)7-25)17-9-29-18(10-27-17)30-20(34)13-2-3-13/h6,8-10,13,28,32H,1-5,11-12H2,(H,29,30,34)","KPPNHUYYZBTROG-UHFFFAOYSA-N",null,2512]
["D16643",15610,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246047","OCCCn1cc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1","InChI=1S/C20H21FN8O/c21-16-3-6-28(12-16)19-14(9-22)8-15(10-24-19)18-2-4-23-20(27-18)26-17-11-25-29(13-17)5-1-7-30/h2,4,8,10-11,13,16,30H,1,3,5-7,12H2,(H,23,26,27)/t16-/m0/s1","NXSYNVAKQOKTKW-INIZCTEOSA-N",null,"<30",{"$nulls":4},7.5]
["D16644",15880,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397718","OCCN(CC#N)C(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C20H20N8O3/c21-3-4-28(5-6-29)19(30)12-25-15-7-14(9-23-16(15)8-22)17-10-26-18(11-24-17)27-20(31)13-1-2-13/h7,9-11,13,25,29H,1-2,4-6,12H2,(H,26,27,31)","BPDFJGXTWYSZBV-UHFFFAOYSA-N",null,63.1]
["D16645",15266,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397703","OCCN(CC(F)F)C(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1","InChI=1S/C20H21F2N7O3/c21-17(22)11-29(3-4-30)19(31)10-26-14-5-13(7-24-15(14)6-23)16-8-27-18(9-25-16)28-20(32)12-1-2-12/h5,7-9,12,17,26,30H,1-4,10-11H2,(H,27,28,32)","JHDOJXBRFWXZGX-UHFFFAOYSA-N",null,15.8]
["D16646",12246,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM63348","OCCN(CCO)CC(O)COc1ccc(cc1)C12CC3CC(CC(C3)C1)C2","InChI=1S/C23H35NO4/c25-7-5-24(6-8-26)15-21(27)16-28-22-3-1-20(2-4-22)23-12-17-9-18(13-23)11-19(10-17)14-23/h1-4,17-19,21,25-27H,5-16H2","STPQBRUWBPEJCN-UHFFFAOYSA-N",null,12053]
["D16647",11774,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM81108","OCCN1CCN(CC1)C(=S)c1ccc(cc1)-c1ccccc1","InChI=1S/C19H22N2OS/c22-15-14-20-10-12-21(13-11-20)19(23)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,22H,10-15H2","BIMYXEOPJWEXBJ-UHFFFAOYSA-N",null,1279]
["D16648",3901,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66822","OCCNC(=O)C(=O)Nc1cc2CCN3c2c(CCC3=O)c1","InChI=1S/C15H17N3O4/c19-6-4-16-14(21)15(22)17-11-7-9-1-2-12(20)18-5-3-10(8-11)13(9)18/h7-8,19H,1-6H2,(H,16,21)(H,17,22)","YGGKPNUYKVVWTN-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16649",15132,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278207","OCCNC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C31H36FN9O4/c32-26-17-41(31(43)34-8-14-42)9-7-28(26)45-27-6-1-21(15-22(27)16-33)29-35-20-36-30(38-29)37-23-2-4-24(5-3-23)39-10-12-40(13-11-39)25-18-44-19-25/h1-6,15,20,25-26,28,42H,7-14,17-19H2,(H,34,43)(H,35,36,37,38)/t26-,28+/m1/s1","PYTUFPILQLEPRN-IAPPQJPRSA-N",null,12]
["D16650",15246,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246043","OCCNC(=O)c1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cc1","InChI=1S/C23H22FN7O2/c24-18-6-9-31(14-18)21-16(12-25)11-17(13-28-21)20-5-7-27-23(30-20)29-19-3-1-15(2-4-19)22(33)26-8-10-32/h1-5,7,11,13,18,32H,6,8-10,14H2,(H,26,33)(H,27,29,30)/t18-/m0/s1","IYUAMICJCNEZTC-SFHVURJKSA-N",null,"<15",{"$nulls":4},7.5]
["D16651",4764,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66685","OCCOCCNc1nc2ccccn2c(=O)c1\\C=C1\\SC(=S)N(Cc2ccco2)C1=O","InChI=1S/C21H20N4O5S2/c26-8-11-29-10-6-22-18-15(19(27)24-7-2-1-5-17(24)23-18)12-16-20(28)25(21(31)32-16)13-14-4-3-9-30-14/h1-5,7,9,12,22,26H,6,8,10-11,13H2/b16-12+","UDFDCNJUEKECJH-FOWTUZBSSA-N",{"$nulls":3},">350000"]
["D16652",16258,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144142","OCCn1cc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1","InChI=1S/C22H23N5O3/c23-13-18-11-16(1-2-21(18)30-20-4-9-29-10-5-20)17-3-6-24-22(12-17)26-19-14-25-27(15-19)7-8-28/h1-3,6,11-12,14-15,20,28H,4-5,7-10H2,(H,24,26)","HPYDIJUSTZXNRN-UHFFFAOYSA-N",null,120,{"$nulls":4},7.5,"30.00 C"]
["D16653",14488,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144138","OCCn1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1","InChI=1S/C21H22N6O3/c22-12-16-11-15(1-2-20(16)30-18-4-9-29-10-5-18)19-3-6-23-21(26-19)25-17-13-24-27(14-17)7-8-28/h1-3,6,11,13-14,18,28H,4-5,7-10H2,(H,23,25,26)","NKOHMDYLNLLENR-UHFFFAOYSA-N",null,3,{"$nulls":4},7.5,"30.00 C"]
["D16654",15183,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144157","OCCn1cc(Nc2nccc(n2)-c2ccc(OCC3CCC3)c(c2)C#N)cn1","InChI=1S/C21H22N6O2/c22-11-17-10-16(4-5-20(17)29-14-15-2-1-3-15)19-6-7-23-21(26-19)25-18-12-24-27(13-18)8-9-28/h4-7,10,12-13,15,28H,1-3,8-9,14H2,(H,23,25,26)","HGXOGENWAIQBNI-UHFFFAOYSA-N",null,14,{"$nulls":4},7.5,"30.00 C"]
["D16655",16047,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246041","OCCn1cc(Nc2nccc(n2)-c2cnc(N3C4CCC3COC4)c(c2)C#N)cn1","InChI=1S/C21H22N8O2/c22-8-14-7-15(9-24-20(14)29-17-1-2-18(29)13-31-12-17)19-3-4-23-21(27-19)26-16-10-25-28(11-16)5-6-30/h3-4,7,9-11,17-18,30H,1-2,5-6,12-13H2,(H,23,26,27)","FMQJSFMUWZFXDZ-UHFFFAOYSA-N",null,"<100",{"$nulls":4},7.5]
["D16656",15493,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246031","OCCn1cc(Nc2nccc(n2)-c2cnc(N3CCCC3)c(c2)C#N)cn1","InChI=1S/C19H20N8O/c20-10-14-9-15(11-22-18(14)26-5-1-2-6-26)17-3-4-21-19(25-17)24-16-12-23-27(13-16)7-8-28/h3-4,9,11-13,28H,1-2,5-8H2,(H,21,24,25)","LHPOLMVICTXNGT-UHFFFAOYSA-N",null,"<30",{"$nulls":4},7.5]
["D16657",15496,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246046","OCCn1cc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1","InChI=1S/C19H19FN8O/c20-15-2-4-27(11-15)18-13(8-21)7-14(9-23-18)17-1-3-22-19(26-17)25-16-10-24-28(12-16)5-6-29/h1,3,7,9-10,12,15,29H,2,4-6,11H2,(H,22,25,26)/t15-/m0/s1","OORAMSPBHIYHNH-HNNXBMFYSA-N",null,"<30",{"$nulls":4},7.5]
["D16658",14477,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278284","OCCn1cc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)cn1","InChI=1S/C22H23FN8O4/c23-17-11-30(20(34)12-33)4-3-19(17)35-18-2-1-14(7-15(18)8-24)21-25-13-26-22(29-21)28-16-9-27-31(10-16)5-6-32/h1-2,7,9-10,13,17,19,32-33H,3-6,11-12H2,(H,25,26,28,29)/t17-,19+/m1/s1","VFYVJNXWRBZRHQ-MJGOQNOKSA-N",null,3]
["D16659",25916,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM25628","OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O","InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,18,24H,2,4,9-10H2","RIGIGAFKKVBACY-UHFFFAOYSA-N",null,null,">10000"]
["D16660",14739,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278154","OCCn1cc(nn1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C33H36FN11O4/c34-27-17-44(32(47)28-18-45(13-14-46)41-40-28)8-7-30(27)49-29-6-1-22(15-23(29)16-35)31-36-21-37-33(39-31)38-24-2-4-25(5-3-24)42-9-11-43(12-10-42)26-19-48-20-26/h1-6,15,18,21,26-27,30,46H,7-14,17,19-20H2,(H,36,37,38,39)/t27-,30+/m1/s1","ZCFMJMCYCIMNLA-OFSOJUDTSA-N",null,5]
["D16661",15831,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278226","OCCn1nccc1C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C34H37FN10O4/c35-28-19-44(33(47)29-7-9-39-45(29)15-16-46)10-8-31(28)49-30-6-1-23(17-24(30)18-36)32-37-22-38-34(41-32)40-25-2-4-26(5-3-25)42-11-13-43(14-12-42)27-20-48-21-27/h1-7,9,17,22,27-28,31,46H,8,10-16,19-21H2,(H,37,38,40,41)/t28-,31+/m1/s1","NQRGTSODTZWSOJ-MVSFAKPFSA-N",null,54]
["D16662",4091,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66981","OCN1C(NC(=O)NCNC(=O)NC2N(CO)C(=O)NC2=O)C(=O)NC1=O","InChI=1S/C11H16N8O8/c20-2-18-4(6(22)16-10(18)26)14-8(24)12-1-13-9(25)15-5-7(23)17-11(27)19(5)3-21/h4-5,20-21H,1-3H2,(H2,12,14,24)(H2,13,15,25)(H,16,22,26)(H,17,23,27)","ZCTXEAQXZGPWFG-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16663",16623,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278360","OC[C@@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C(F)(F)C1","InChI=1S/C31H34F2N8O5/c32-31(33)18-41(29(44)25(43)15-42)8-7-27(31)46-26-6-1-20(13-21(26)14-34)28-35-19-36-30(38-28)37-22-2-4-23(5-3-22)39-9-11-40(12-10-39)24-16-45-17-24/h1-6,13,19,24-25,27,42-43H,7-12,15-18H2,(H,35,36,37,38)/t25-,27+/m1/s1","JFXFMSJQRUXRSJ-VPUSJEBWSA-N",null,2]
["D16664",16626,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278363","OC[C@@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C31H35FN8O5/c32-25-15-40(30(43)26(42)16-41)8-7-28(25)45-27-6-1-20(13-21(27)14-33)29-34-19-35-31(37-29)36-22-2-4-23(5-3-22)38-9-11-39(12-10-38)24-17-44-18-24/h1-6,13,19,24-26,28,41-42H,7-12,15-18H2,(H,34,35,36,37)/t25-,26-,28+/m1/s1","GKJOCWMFOAWFSA-GTNKKZTPSA-N",null,2]
["D16665",15243,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246033","OC[C@@H](O)Cn1cc(Nc2nccc(n2)-c2cnc(N3CCCC3)c(c2)C#N)cn1","InChI=1S/C20H22N8O2/c21-8-14-7-15(9-23-19(14)27-5-1-2-6-27)18-3-4-22-20(26-18)25-16-10-24-28(11-16)12-17(30)13-29/h3-4,7,9-11,17,29-30H,1-2,5-6,12-13H2,(H,22,25,26)/t17-/m0/s1","AEGHJSIDRASQIE-KRWDZBQOSA-N",null,"<15",{"$nulls":4},7.5]
["D16666",16644,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278010","OC[C@@H]1CN(CCO1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)cc1","InChI=1S/C28H30FN7O5/c29-23-14-36(26(39)16-38)8-7-25(23)41-24-6-1-18(11-19(24)12-30)27-31-17-32-28(34-27)33-20-2-4-21(5-3-20)35-9-10-40-22(13-35)15-37/h1-6,11,17,22-23,25,37-38H,7-10,13-16H2,(H,31,32,33,34)/t22-,23+,25-/m0/s1","NDBDPLXJPDINMG-ARNLJNQMSA-N",null,2]
["D16667",16656,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278162","OC[C@@H]1COCCN1c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)cc1","InChI=1S/C28H30FN7O5/c29-23-13-35(26(39)15-38)8-7-25(23)41-24-6-1-18(11-19(24)12-30)27-31-17-32-28(34-27)33-20-2-4-21(5-3-20)36-9-10-40-16-22(36)14-37/h1-6,11,17,22-23,25,37-38H,7-10,13-16H2,(H,31,32,33,34)/t22-,23-,25+/m1/s1","QPWPSCNQQGTOFW-OYRHQHFDSA-N",null,2]
["D16668",15430,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM397744","OC[C@@H]1C[C@H](N(C1)C(=O)CNc1cc(cnc1C#N)-c1cnc(NC(=O)C2CC2)cn1)C(F)(F)F","InChI=1S/C22H22F3N7O3/c23-22(24,25)18-3-12(11-33)10-32(18)20(34)9-29-15-4-14(6-27-16(15)5-26)17-7-30-19(8-28-17)31-21(35)13-1-2-13/h4,6-8,12-13,18,29,33H,1-3,9-11H2,(H,30,31,35)/t12-,18+/m1/s1","BQJWKUMTUBKCLN-XIKOKIGWSA-N",null,25.1]
["D16669",31639,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50186736","OC[C@@H]1NC[C@@H](O)[C@@H](O)C1(F)F","InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4+,5-/m1/s1","QAAGRPJCHPCOIN-MROZADKFSA-N",">1000000"]
["D16670",17451,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278234","OC[C@H](O)C(=O)C1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3cnn(c3)C(F)F)n2)[C@H](F)C1","InChI=1S/C23H22F3N7O4/c24-16-6-12(20(36)17(35)10-34)1-4-19(16)37-18-3-2-13(5-14(18)7-27)21-28-11-29-23(32-21)31-15-8-30-33(9-15)22(25)26/h2-3,5,8-9,11-12,16-17,19,22,34-35H,1,4,6,10H2,(H,28,29,31,32)/t12?,16-,17+,19+/m1/s1","PXXGIAWELREGQE-SUOCVTSGSA-N",null,4000,{"$nulls":4},7]
["D16671",16663,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278187","OC[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(N4CCN(CC4)C4COC4)c(F)c3)n2)[C@H](F)C1","InChI=1S/C31H34F2N8O5/c32-23-12-21(2-3-25(23)40-9-7-39(8-10-40)22-16-45-17-22)37-31-36-18-35-29(38-31)19-1-4-27(20(11-19)13-34)46-28-5-6-41(14-24(28)33)30(44)26(43)15-42/h1-4,11-12,18,22,24,26,28,42-43H,5-10,14-17H2,(H,35,36,37,38)/t24-,26+,28+/m1/s1","HWMVFSOSNPEGQD-XDIPAPSNSA-N",null,2]
["D16672",14479,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278287","OC[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)C3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C32H36FN7O5/c33-26-15-40(31(43)27(42)16-41)12-9-29(26)45-28-6-3-22(13-23(28)14-34)30-35-19-36-32(38-30)37-24-4-1-20(2-5-24)21-7-10-39(11-8-21)25-17-44-18-25/h1-6,13,19,21,25-27,29,41-42H,7-12,15-18H2,(H,35,36,37,38)/t26-,27+,29+/m1/s1","NMJIAJITODSLIF-XQFUHLNNSA-N",null,3]
["D16673",16622,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278359","OC[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)C(F)(F)C1","InChI=1S/C31H34F2N8O5/c32-31(33)18-41(29(44)25(43)15-42)8-7-27(31)46-26-6-1-20(13-21(26)14-34)28-35-19-36-30(38-28)37-22-2-4-23(5-3-22)39-9-11-40(12-10-39)24-16-45-17-24/h1-6,13,19,24-25,27,42-43H,7-12,15-18H2,(H,35,36,37,38)/t25-,27-/m0/s1","JFXFMSJQRUXRSJ-BDYUSTAISA-N",null,2]
["D16674",16625,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278362","OC[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C31H35FN8O5/c32-25-15-40(30(43)26(42)16-41)8-7-28(25)45-27-6-1-20(13-21(27)14-33)29-34-19-35-31(37-29)36-22-2-4-23(5-3-22)38-9-11-39(12-10-38)24-17-44-18-24/h1-6,13,19,24-26,28,41-42H,7-12,15-18H2,(H,34,35,36,37)/t25-,26+,28+/m1/s1","GKJOCWMFOAWFSA-PBWSGDRGSA-N",null,2]
["D16675",14609,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278333","OC[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCOCC3)n2)[C@H](F)C1","InChI=1S/C28H30FN7O5/c29-22-15-36(27(39)23(38)16-37)8-7-25(22)41-24-6-1-18(13-19(24)14-30)26-31-17-32-28(34-26)33-20-2-4-21(5-3-20)35-9-11-40-12-10-35/h1-6,13,17,22-23,25,37-38H,7-12,15-16H2,(H,31,32,33,34)/t22-,23+,25+/m1/s1","IJAVTRACRBCSJC-CUYJMHBOSA-N",null,4]
["D16676",17296,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278334","OC[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3F)N3CCOCC3)n2)[C@H](F)C1","InChI=1S/C28H29F2N7O5/c29-20-12-19(36-7-9-41-10-8-36)2-3-22(20)34-28-33-16-32-26(35-28)17-1-4-24(18(11-17)13-31)42-25-5-6-37(14-21(25)30)27(40)23(39)15-38/h1-4,11-12,16,21,23,25,38-39H,5-10,14-15H2,(H,32,33,34,35)/t21-,23+,25+/m1/s1","MHRJILLQTVZIBV-VTZPFEBOSA-N",null,3000,{"$nulls":4},7]
["D16677",14604,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278288","OC[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(nc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C30H34FN9O5/c31-23-14-40(29(43)24(42)15-41)6-5-26(23)45-25-3-1-19(11-20(25)12-32)28-34-18-35-30(37-28)36-21-2-4-27(33-13-21)39-9-7-38(8-10-39)22-16-44-17-22/h1-4,11,13,18,22-24,26,41-42H,5-10,14-17H2,(H,34,35,36,37)/t23-,24+,26+/m1/s1","XCYPLUKAXOGVDS-USZFVNFHSA-N",null,4]
["D16678",14595,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM375731","OC[C@H](O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3cnn(c3)C(F)F)n2)[C@H](F)C1","InChI=1S/C22H21F3N8O4/c23-15-9-32(20(36)16(35)10-34)4-3-18(15)37-17-2-1-12(5-13(17)6-26)19-27-11-28-22(31-19)30-14-7-29-33(8-14)21(24)25/h1-2,5,7-8,11,15-16,18,21,34-35H,3-4,9-10H2,(H,27,28,30,31)/t15-,16+,18+/m1/s1","ZJRUXNCHFMDOOM-RYRKJORJSA-N",null,4]
["D16679",12164,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87358","OC[C@H](O)CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)C=C","InChI=1S/C12H15Cl2NO4S/c1-2-20(18,19)15(7-10(17)8-16)6-9-3-4-11(13)12(14)5-9/h2-5,10,16-17H,1,6-8H2/t10-/m1/s1","DGEZBYRCWQCTCQ-SNVBAGLBSA-N",null,6967]
["D16680",15244,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246034","OC[C@H](O)Cn1cc(Nc2nccc(n2)-c2cnc(N3CCCC3)c(c2)C#N)cn1","InChI=1S/C20H22N8O2/c21-8-14-7-15(9-23-19(14)27-5-1-2-6-27)18-3-4-22-20(26-18)25-16-10-24-28(11-16)12-17(30)13-29/h3-4,7,9-11,17,29-30H,1-2,5-6,12-13H2,(H,22,25,26)/t17-/m1/s1","AEGHJSIDRASQIE-QGZVFWFLSA-N",null,"<15",{"$nulls":4},7.5]
["D16681",16643,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278005","OC[C@H]1CN(CCO1)c1ccc(Nc2ncnc(n2)-c2ccc(OC3CCN(CC3)C(=O)CO)c(c2)C#N)cc1","InChI=1S/C28H31N7O5/c29-14-20-13-19(1-6-25(20)40-23-7-9-34(10-8-23)26(38)17-37)27-30-18-31-28(33-27)32-21-2-4-22(5-3-21)35-11-12-39-24(15-35)16-36/h1-6,13,18,23-24,36-37H,7-12,15-17H2,(H,30,31,32,33)/t24-/m1/s1","FDIWSBNEYJFKOJ-XMMPIXPASA-N",null,2]
["D16682",14737,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278004","OC[C@H]1CN(CCO1)c1ccc(Nc2ncnc(n2)-c2ccc(OC3CCNCC3(F)F)c(c2)C#N)cc1","InChI=1S/C26H27F2N7O3/c27-26(28)15-30-8-7-23(26)38-22-6-1-17(11-18(22)12-29)24-31-16-32-25(34-24)33-19-2-4-20(5-3-19)35-9-10-37-21(13-35)14-36/h1-6,11,16,21,23,30,36H,7-10,13-15H2,(H,31,32,33,34)/t21-,23?/m1/s1","DUISWERQTKGBIA-FKHAVUOCSA-N",null,5]
["D16683",14597,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278245","OC[C@H]1CN(CCO1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CC#N)c(c2)C#N)cc1","InChI=1S/C29H29FN8O4/c30-24-16-38(27(40)7-9-31)10-8-26(24)42-25-6-1-19(13-20(25)14-32)28-33-18-34-29(36-28)35-21-2-4-22(5-3-21)37-11-12-41-23(15-37)17-39/h1-6,13,18,23-24,26,39H,7-8,10-12,15-17H2,(H,33,34,35,36)/t23-,24-,26+/m1/s1","FTSISPFEFJKHQN-MZKUHISZSA-N",null,4]
["D16684",14972,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278007","OC[C@H]1CN(CCO1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(C[C@H]3F)C(=O)CO)c(c2)C#N)cc1","InChI=1S/C28H30FN7O5/c29-23-14-36(26(39)16-38)8-7-25(23)41-24-6-1-18(11-19(24)12-30)27-31-17-32-28(34-27)33-20-2-4-21(5-3-20)35-9-10-40-22(13-35)15-37/h1-6,11,17,22-23,25,37-38H,7-10,13-16H2,(H,31,32,33,34)/t22-,23-,25+/m1/s1","NDBDPLXJPDINMG-OYRHQHFDSA-N",null,1]
["D16685",15314,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144202","OC[C@H]1C[C@@H]1Cn1cc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1","InChI=1S/C25H27N5O3/c26-12-19-9-17(1-2-24(19)33-23-4-7-32-8-5-23)18-3-6-27-25(11-18)29-22-13-28-30(15-22)14-20-10-21(20)16-31/h1-3,6,9,11,13,15,20-21,23,31H,4-5,7-8,10,14,16H2,(H,27,29)/t20-,21-/m1/s1","HNDZOIQVTDQHDZ-NHCUHLMSSA-N",null,18,{"$nulls":4},7.5,"30.00 C"]
["D16686",14805,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144130","OC[C@H]1C[C@@H]1Cn1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1","InChI=1S/C24H26N6O3/c25-11-17-9-16(1-2-23(17)33-21-4-7-32-8-5-21)22-3-6-26-24(29-22)28-20-12-27-30(14-20)13-18-10-19(18)15-31/h1-3,6,9,12,14,18-19,21,31H,4-5,7-8,10,13,15H2,(H,26,28,29)/t18-,19-/m1/s1","MQZYHFYFOXLRBV-RTBURBONSA-N",null,6,{"$nulls":4},7.5,"30.00 C"]
["D16687",15058,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144158","OC[C@H]1C[C@@H]1Cn1cc(Nc2nccc(n2)-c2ccc(OCC3CCC3)c(c2)C#N)cn1","InChI=1S/C24H26N6O2/c25-10-18-8-17(4-5-23(18)32-15-16-2-1-3-16)22-6-7-26-24(29-22)28-21-11-27-30(13-21)12-19-9-20(19)14-31/h4-8,11,13,16,19-20,31H,1-3,9,12,14-15H2,(H,26,28,29)/t19-,20-/m1/s1","SMBITOOEILSWPI-WOJBJXKFSA-N",null,10,{"$nulls":4},7.5,"30.00 C"]
["D16688",31631,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50186735","OC[C@H]1NC[C@@H](O)[C@@H](O)C1(F)F","InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4-,5-/m1/s1","QAAGRPJCHPCOIN-UOWFLXDJSA-N",45000]
["D16689",31640,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50186734","OC[C@H]1NC[C@H](O)[C@@H](O)C1(F)F","InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4+,5+/m0/s1","QAAGRPJCHPCOIN-VPENINKCSA-N",">1000000"]
["D16690",31628,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM18351","OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O","InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1","LXBIFEVIBLOUGU-JGWLITMVSA-N",9500]
["D16691",31645,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50279835","OC[C@H]1OC[C@@H](O)[C@@H]1O","InChI=1S/C5H10O4/c6-1-4-5(8)3(7)2-9-4/h3-8H,1-2H2/t3-,4-,5+/m1/s1","KZVAAIRBJJYZOW-WDCZJNDASA-N",36200000,{"$nulls":5},6.8]
["D16692",31644,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50279833","OC[C@H]1OC[C@@H](O)[C@H]1O","InChI=1S/C5H10O4/c6-1-4-5(8)3(7)2-9-4/h3-8H,1-2H2/t3-,4-,5-/m1/s1","KZVAAIRBJJYZOW-UOWFLXDJSA-N",14800000,{"$nulls":5},6.8]
["D16693",31647,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50279834","OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O","InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1","MPCAJMNYNOGXPB-SLPGGIOYSA-N",60000000]
["D16694",31648,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50279832","OC[C@H]1OC[C@H](O)[C@@H](O)[C@H]1O","InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6-/m0/s1","MPCAJMNYNOGXPB-KCDKBNATSA-N",140000000]
["D16695",4158,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM50241243","OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O","InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-24,26-29H,7H2/t13-,15-,17+,18-,21+/m1/s1","VLAZVXDNDNYUKJ-QSOFNFLRSA-N",{"$nulls":3},">350000"]
["D16696",16763,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM569879","OC[C@]1(F)COC(Nc2cc(F)c(Oc3ccnc4[nH]cc(c34)C(F)(F)F)c(F)c2)=NC1",{"$nulls":3},640]
["D16697",32286,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446014","OCc1cc(Cl)ccc1N1CCN(CC1)C(=O)N1CCOCC1","InChI=1S/C16H22ClN3O3/c17-14-1-2-15(13(11-14)12-21)18-3-5-19(6-4-18)16(22)20-7-9-23-10-8-20/h1-2,11,21H,3-10,12H2","XRUDJHJTZXXMQB-UHFFFAOYSA-N",null,">30000"]
["D16698",12052,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43183","OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)N2CCOCC2)c2ccc(cc2)C(F)(F)F)cc1","InChI=1S/C25H26F3NO5/c26-25(27,28)21-7-5-19(6-8-21)20-13-22(24(31)29-9-11-32-12-10-29)34-23(14-20)33-16-18-3-1-17(15-30)2-4-18/h1-8,13,20,23,30H,9-12,14-16H2/t20-,23+/m1/s1","YVWIEYPKCCICEX-OFNKIYASSA-N",{"$nulls":3},">79370"]
["D16699",4650,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66592","OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)N2CCN(Cc3ccccc3)CC2)c2coc3ccccc3c2=O)cc1","InChI=1S/C34H34N2O6/c37-21-25-10-12-26(13-11-25)22-41-32-19-27(29-23-40-30-9-5-4-8-28(30)33(29)38)18-31(42-32)34(39)36-16-14-35(15-17-36)20-24-6-2-1-3-7-24/h1-13,18,23,27,32,37H,14-17,19-22H2/t27-,32+/m0/s1","ZSPJPBUGJWEYMF-QVWWMRLHSA-N",{"$nulls":3},">350000"]
["D16700",15185,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144192","OCc1ccc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)nc1","InChI=1S/C23H22N4O3/c24-13-19-11-17(2-3-21(19)30-20-6-9-29-10-7-20)18-5-8-25-23(12-18)27-22-4-1-16(15-28)14-26-22/h1-5,8,11-12,14,20,28H,6-7,9-10,15H2,(H,25,26,27)","SPZBXBBBJTWZTI-UHFFFAOYSA-N",null,14,{"$nulls":4},7.5,"30.00 C"]
["D16701",15743,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144170","OCc1ccc(Nc2cc(ccn2)-c2ccc(OCC3CC3)c(c2)C#N)nc1","InChI=1S/C22H20N4O2/c23-11-19-9-17(4-5-20(19)28-14-15-1-2-15)18-7-8-24-22(10-18)26-21-6-3-16(13-27)12-25-21/h3-10,12,15,27H,1-2,13-14H2,(H,24,25,26)","VCINJUXSDKRSQQ-UHFFFAOYSA-N",null,41,{"$nulls":4},7.5,"30.00 C"]
["D16702",15975,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144175","OCc1ccc(Nc2cc(ccn2)-c2ccc(OCC3CCC3)c(c2)C#N)nc1","InChI=1S/C23H22N4O2/c24-12-20-10-18(5-6-21(20)29-15-16-2-1-3-16)19-8-9-25-23(11-19)27-22-7-4-17(14-28)13-26-22/h4-11,13,16,28H,1-3,14-15H2,(H,25,26,27)","QSNAYNYUEDJOLU-UHFFFAOYSA-N",null,89,{"$nulls":4},7.5,"30.00 C"]
["D16703",4777,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66696","OCc1ccc(OCCCOc2cccc3cccnc23)cc1","InChI=1S/C19H19NO3/c21-14-15-7-9-17(10-8-15)22-12-3-13-23-18-6-1-4-16-5-2-11-20-19(16)18/h1-2,4-11,21H,3,12-14H2","HYFNCSOTBMLVMH-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16704",14917,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144194","OCc1ccnc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1","InChI=1S/C23H22N4O3/c24-14-19-12-17(1-2-21(19)30-20-5-9-29-10-6-20)18-4-8-26-23(13-18)27-22-11-16(15-28)3-7-25-22/h1-4,7-8,11-13,20,28H,5-6,9-10,15H2,(H,25,26,27)","WSBKHPYKYJZQTB-UHFFFAOYSA-N",null,8,{"$nulls":4},7.5,"30.00 C"]
["D16705",16358,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144133","OCc1ccnc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1","InChI=1S/C22H21N5O3/c23-13-17-12-16(1-2-20(17)30-18-5-9-29-10-6-18)19-4-8-25-22(26-19)27-21-11-15(14-28)3-7-24-21/h1-4,7-8,11-12,18,28H,5-6,9-10,14H2,(H,24,25,26,27)","FQMQKRIYLONZDU-UHFFFAOYSA-N",null,180,{"$nulls":4},7.5,"30.00 C"]
["D16706",14788,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144162","OCc1cnc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1","InChI=1S/C22H21N5O3/c23-11-17-9-15(1-2-20(17)30-19-4-7-29-8-5-19)16-3-6-24-21(10-16)27-22-13-25-18(14-28)12-26-22/h1-3,6,9-10,12-13,19,28H,4-5,7-8,14H2,(H,24,26,27)","PZDIPKRKYNMOJE-UHFFFAOYSA-N",null,6,{"$nulls":4},7.5,"30.00 C"]
["D16707",16544,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144165","OCc1nccnc1Nc1cc(ccn1)-c1ccc(OC2CCOCC2)c(c1)C#N","InChI=1S/C22H21N5O3/c23-13-17-11-15(1-2-20(17)30-18-4-9-29-10-5-18)16-3-6-25-21(12-16)27-22-19(14-28)24-7-8-26-22/h1-3,6-8,11-12,18,28H,4-5,9-10,14H2,(H,25,26,27)","NBXRQAXVXWKQJZ-UHFFFAOYSA-N",null,350,{"$nulls":4},7.5,"30.00 C"]
["D16708",11517,"7lo4_B",0.3,"Spike protein S1","Dual specificity phosphatase Cdc25B","Mus musculus","BDM50104689","OCc1oc(O)c(C(=O)C=Cc2ccccc2)c1O","InChI=1S/C14H12O5/c15-8-11-13(17)12(14(18)19-11)10(16)7-6-9-4-2-1-3-5-9/h1-7,15,17-18H,8H2","OOFCSKOSHDSREE-UHFFFAOYSA-N",null,32100]
["D16709",11521,"7lo4_B",0.3,"Spike protein S1","Dual specificity phosphatase Cdc25B","Mus musculus","BDM50104695","OCc1oc(O)c(C(=O)OC2CCCCC2)c1O","InChI=1S/C12H16O6/c13-6-8-10(14)9(12(16)18-8)11(15)17-7-4-2-1-3-5-7/h7,13-14,16H,1-6H2","MLAVQXSPESWNPL-UHFFFAOYSA-N",null,">125000"]
["D16710",11516,"7lo4_B",0.3,"Spike protein S1","Dual specificity phosphatase Cdc25B","Mus musculus","BDM50104701","OCc1oc(O)c(C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1O","InChI=1S/C16H9F17O6/c17-9(18,1-2-38-7(36)5-6(35)4(3-34)39-8(5)37)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h34-35,37H,1-3H2","FBCCLKTVXWFRHC-UHFFFAOYSA-N",null,26200]
["D16711",11515,"7lo4_B",0.3,"Spike protein S1","Dual specificity phosphatase Cdc25B","Mus musculus","BDM50104702","OCc1oc(O)c(C(=O)OCCCCCCCCCCCCCCCCNC(=O)OCC=C)c1O","InChI=1S/C26H43NO8/c1-2-18-34-26(32)27-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-19-33-24(30)22-23(29)21(20-28)35-25(22)31/h2,28-29,31H,1,3-20H2,(H,27,32)","IIPADWVWRZBWKO-UHFFFAOYSA-N",null,22900]
["D16712",11520,"7lo4_B",0.3,"Spike protein S1","Dual specificity phosphatase Cdc25B","Mus musculus","BDM50104685","OCc1oc(O)c(C(=O)OCc2ccccc2)c1O","InChI=1S/C13H12O6/c14-6-9-11(15)10(13(17)19-9)12(16)18-7-8-4-2-1-3-5-8/h1-5,14-15,17H,6-7H2","LHCMDDNHJXPWLS-UHFFFAOYSA-N",null,">125000"]
["D16713",17308,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278256","ONC(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C29H32FN9O4/c30-24-15-39(29(40)36-41)8-7-26(24)43-25-6-1-19(13-20(25)14-31)27-32-18-33-28(35-27)34-21-2-4-22(5-3-21)37-9-11-38(12-10-37)23-16-42-17-23/h1-6,13,18,23-24,26,41H,7-12,15-17H2,(H,36,40)(H,32,33,34,35)/t24-,26+/m1/s1","NXPFLUCZHZOTKL-RSXGOPAZSA-N",null,3000,{"$nulls":4},7]
["D16714",32311,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50430714","O[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)N1CCCC1=O","InChI=1S/C15H20N2O4S/c18-13-3-1-9-16(11-13)22(20,21)14-7-5-12(6-8-14)17-10-2-4-15(17)19/h5-8,13,18H,1-4,9-11H2/t13-/m1/s1","VCTHJAXUXJFNEJ-CYBMUJFWSA-N",null,">30000"]
["D16715",14872,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278203","O[C@@H]1CCN(C1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C33H38FN9O4/c34-28-18-43(33(45)42-9-7-27(44)17-42)10-8-30(28)47-29-6-1-22(15-23(29)16-35)31-36-21-37-32(39-31)38-24-2-4-25(5-3-24)40-11-13-41(14-12-40)26-19-46-20-26/h1-6,15,21,26-28,30,44H,7-14,17-20H2,(H,36,37,38,39)/t27-,28-,30+/m1/s1","VGHFSRQMBHIKAP-QVKOCQLISA-N",null,7]
["D16716",17353,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277980","O[C@@H]1CCN(C1)c1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C27H30N8O2/c28-14-20-13-19(1-6-25(20)35-8-7-24(36)15-35)26-29-18-30-27(32-26)31-21-2-4-22(5-3-21)33-9-11-34(12-10-33)23-16-37-17-23/h1-6,13,18,23-24,36H,7-12,15-17H2,(H,29,30,31,32)/t24-/m1/s1","VJERMUNIAWEYKC-XMMPIXPASA-N",null,3000,{"$nulls":4},7]
["D16717",14412,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Homo sapiens","BDM50241986","O[C@@H]1CNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CC(N=O)C(=O)NCCc4cc(Br)c(O)c(Oc5ccc1cc5Br)c4)cc3Br)c2)N=O","InChI=1S/C34H28Br4N4O9/c35-20-7-16-1-3-27(20)50-30-13-18(9-23(38)32(30)45)11-25(42-49)34(47)40-15-26(43)19-2-4-28(21(36)14-19)51-29-12-17(8-22(37)31(29)44)5-6-39-33(46)24(10-16)41-48/h1-4,7-9,12-14,24-26,43-45H,5-6,10-11,15H2,(H,39,46)(H,40,47)/t24?,25?,26-/m1/s1","JKNAJJISQXNPQP-NRUKRLKBSA-N",{"$nulls":3},5800]
["D16718",15325,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278366","O[C@@H]1CN[C@@H](C1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C33H38FN9O4/c34-27-17-43(32(45)28-14-26(44)16-36-28)8-7-30(27)47-29-6-1-21(13-22(29)15-35)31-37-20-38-33(40-31)39-23-2-4-24(5-3-23)41-9-11-42(12-10-41)25-18-46-19-25/h1-6,13,20,25-28,30,36,44H,7-12,14,16-19H2,(H,37,38,39,40)/t26-,27+,28-,30-/m0/s1","XYVFJOXMVUYGJB-TYKILGCBSA-N",null,18]
["D16719",31649,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50279836","O[C@@H]1COC[C@H]1O","InChI=1S/C4H8O3/c5-3-1-7-2-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","SSYDTHANSGMJTP-QWWZWVQMSA-N",390000000]
["D16720",14651,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278181","O[C@@H]1C[C@H](NC1=O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C33H36FN9O5/c34-25-16-43(32(46)26-14-27(44)31(45)39-26)8-7-29(25)48-28-6-1-20(13-21(28)15-35)30-36-19-37-33(40-30)38-22-2-4-23(5-3-22)41-9-11-42(12-10-41)24-17-47-18-24/h1-6,13,19,24-27,29,44H,7-12,14,16-18H2,(H,39,45)(H,36,37,38,40)/t25-,26+,27-,29+/m1/s1","RERCCWNKTWZZCZ-LEZVCQOQSA-N",null,4]
["D16721",32205,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Myosin-2","Homo sapiens","BDBM50449476","O[C@@]12CCN(C1=Nc1cc(ccc1C2=O)[N+]([O-])=O)c1ccccc1","InChI=1S/C17H13N3O4/c21-15-13-7-6-12(20(23)24)10-14(13)18-16-17(15,22)8-9-19(16)11-4-2-1-3-5-11/h1-7,10,22H,8-9H2/t17-/m1/s1","VIMYHNYWFMRDKQ-QGZVFWFLSA-N",null,28000]
["D16722",16051,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245963","O[C@H]1CCC(CC(=O)Nc2ccc(Nc3nccc(n3)-c3cnc(N4CC[C@H](F)C4)c(c3)C#N)cn2)C1","InChI=1S/C26H27FN8O2/c27-19-6-8-35(15-19)25-17(12-28)11-18(13-31-25)22-5-7-29-26(33-22)32-20-2-4-23(30-14-20)34-24(37)10-16-1-3-21(36)9-16/h2,4-5,7,11,13-14,16,19,21,36H,1,3,6,8-10,15H2,(H,29,32,33)(H,30,34,37)/t16?,19-,21-/m0/s1","CALFZFNJERNEBY-BPWGJPQNSA-N",null,"<100",{"$nulls":4},7.5]
["D16723",32312,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50430715","O[C@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)N1CCCC1=O","InChI=1S/C15H20N2O4S/c18-13-3-1-9-16(11-13)22(20,21)14-7-5-12(6-8-14)17-10-2-4-15(17)19/h5-8,13,18H,1-4,9-11H2/t13-/m0/s1","VCTHJAXUXJFNEJ-ZDUSSCGKSA-N",null,">30000"]
["D16724",15942,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278204","O[C@H]1CCN(C1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C33H38FN9O4/c34-28-18-43(33(45)42-9-7-27(44)17-42)10-8-30(28)47-29-6-1-22(15-23(29)16-35)31-36-21-37-32(39-31)38-24-2-4-25(5-3-24)40-11-13-41(14-12-40)26-19-46-20-26/h1-6,15,21,26-28,30,44H,7-14,17-20H2,(H,36,37,38,39)/t27-,28+,30-/m0/s1","VGHFSRQMBHIKAP-LXQNXJGFSA-N",null,79]
["D16725",14889,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277981","O[C@H]1CCN(C1)c1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C27H30N8O2/c28-14-20-13-19(1-6-25(20)35-8-7-24(36)15-35)26-29-18-30-27(32-26)31-21-2-4-22(5-3-21)33-9-11-34(12-10-33)23-16-37-17-23/h1-6,13,18,23-24,36H,7-12,15-17H2,(H,29,30,31,32)/t24-/m0/s1","VJERMUNIAWEYKC-DEOSSOPVSA-N",null,7]
["D16726",15616,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246078","O[C@H]1CCN(C1)c1ccc(nc1C#N)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1","InChI=1S/C24H26N8O2/c25-13-22-23(32-8-6-19(33)16-32)4-3-20(29-22)21-5-7-26-24(30-21)28-17-1-2-18(27-14-17)15-31-9-11-34-12-10-31/h1-5,7,14,19,33H,6,8-12,15-16H2,(H,26,28,30)/t19-/m0/s1","UMRGWFXBKZZEBK-IBGZPJMESA-N",null,"<30",{"$nulls":4},7.5]
["D16727",16012,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246075","O[C@H]1CCN(C1)c1ccc(nc1C#N)-c1ccnc(Nc2ccc(NC(=O)CN3CCOCC3)nc2)n1","InChI=1S/C25H27N9O3/c26-13-21-22(34-8-6-18(35)15-34)3-2-19(30-21)20-5-7-27-25(31-20)29-17-1-4-23(28-14-17)32-24(36)16-33-9-11-37-12-10-33/h1-5,7,14,18,35H,6,8-12,15-16H2,(H,27,29,31)(H,28,32,36)/t18-/m0/s1","QOFDAFDVEGHZLC-SFHVURJKSA-N",null,"<100",{"$nulls":4},7.5]
["D16728",15618,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246080","O[C@H]1CCN(C1)c1ccc(nc1C#N)-c1ccnc(Nc2ccc(NC(=O)CN3CC[C@H](F)C3)nc2)n1","InChI=1S/C25H26FN9O2/c26-16-6-9-34(13-16)15-24(37)33-23-4-1-17(12-29-23)30-25-28-8-5-20(32-25)19-2-3-22(21(11-27)31-19)35-10-7-18(36)14-35/h1-5,8,12,16,18,36H,6-7,9-10,13-15H2,(H,28,30,32)(H,29,33,37)/t16-,18-/m0/s1","AHEAUBHTIQRMTK-WMZOPIPTSA-N",null,"<30",{"$nulls":4},7.5]
["D16729",16013,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246082","O[C@H]1CCN(C1)c1ccc(nc1C#N)-c1ccnc(Nc2ccc(OCCN3CC[C@H](F)C3)nc2)n1","InChI=1S/C25H27FN8O2/c26-17-6-9-33(15-17)11-12-36-24-4-1-18(14-29-24)30-25-28-8-5-21(32-25)20-2-3-23(22(13-27)31-20)34-10-7-19(35)16-34/h1-5,8,14,17,19,35H,6-7,9-12,15-16H2,(H,28,30,32)/t17-,19-/m0/s1","HFHNIKCXAOFZEN-HKUYNNGSSA-N",null,"<100",{"$nulls":4},7.5]
["D16730",15224,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246071","O[C@H]1CCN(C1)c1ccc(nc1C#N)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1","InChI=1S/C24H25N7O2/c25-15-22-23(31-10-8-19(32)16-31)6-5-20(28-22)21-7-9-26-24(29-21)27-17-1-3-18(4-2-17)30-11-13-33-14-12-30/h1-7,9,19,32H,8,10-14,16H2,(H,26,27,29)/t19-/m0/s1","KDPICOWSDJGOBU-IBGZPJMESA-N",null,"<15",{"$nulls":4},7.5]
["D16731",15247,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246044","O[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1","InChI=1S/C24H25N7O2/c25-14-17-13-18(15-27-23(17)31-8-6-21(32)16-31)22-5-7-26-24(29-22)28-19-1-3-20(4-2-19)30-9-11-33-12-10-30/h1-5,7,13,15,21,32H,6,8-12,16H2,(H,26,28,29)/t21-/m0/s1","FIDHGTSKGWEHJH-NRFANRHFSA-N",null,"<15",{"$nulls":4},7.5]
["D16732",15495,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM246045","O[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccc(nc2)N2CCOCC2)n1","InChI=1S/C23H24N8O2/c24-12-16-11-17(13-27-22(16)31-6-4-19(32)15-31)20-3-5-25-23(29-20)28-18-1-2-21(26-14-18)30-7-9-33-10-8-30/h1-3,5,11,13-14,19,32H,4,6-10,15H2,(H,25,28,29)/t19-/m0/s1","FYAYZISNNFVROX-IBGZPJMESA-N",null,"<30",{"$nulls":4},7.5]
["D16733",15507,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM245974","O[C@H]1CCN(C1)c1ncc(cc1C#N)-c1ccnc(Nc2ccnc(c2)N2CCOCC2)n1","InChI=1S/C23H24N8O2/c24-13-16-11-17(14-27-22(16)31-6-3-19(32)15-31)20-2-5-26-23(29-20)28-18-1-4-25-21(12-18)30-7-9-33-10-8-30/h1-2,4-5,11-12,14,19,32H,3,6-10,15H2,(H,25,26,28,29)/t19-/m0/s1","GDUYSEYSOOTMQV-IBGZPJMESA-N",null,"<30",{"$nulls":4},7.5]
["D16734",14485,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144164","O[C@H]1CC[C@@H](CC1)n1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1","InChI=1S/C25H28N6O3/c26-14-18-13-17(1-6-24(18)34-22-8-11-33-12-9-22)23-7-10-27-25(30-23)29-19-15-28-31(16-19)20-2-4-21(32)5-3-20/h1,6-7,10,13,15-16,20-22,32H,2-5,8-9,11-12H2,(H,27,29,30)/t20-,21-","ZXXUISVZQNQVSN-MEMLXQNLSA-N",null,3,{"$nulls":4},7.5,"30.00 C"]
["D16735",3664,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","GRM7","Homo sapiens","BDBM50393322","O[C@H]1CC[C@@H](CC1)n1ccc2cc(ccc12)-c1ccn2c(CC(F)(F)F)cnc2c1Cl","InChI=1S/C23H21ClF3N3O/c24-21-19(8-10-30-17(12-23(25,26)27)13-28-22(21)30)14-1-6-20-15(11-14)7-9-29(20)16-2-4-18(31)5-3-16/h1,6-11,13,16,18,31H,2-5,12H2/t16-,18-","MTJBRWBGLFWUGE-SAABIXHNSA-N",{"$nulls":3},5200]
["D16736",14937,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144136","O[C@H]1CC[C@H](CC1)n1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1","InChI=1S/C25H28N6O3/c26-14-18-13-17(1-6-24(18)34-22-8-11-33-12-9-22)23-7-10-27-25(30-23)29-19-15-28-31(16-19)20-2-4-21(32)5-3-20/h1,6-7,10,13,15-16,20-22,32H,2-5,8-9,11-12H2,(H,27,29,30)/t20-,21+","ZXXUISVZQNQVSN-OYRHEFFESA-N",null,8,{"$nulls":4},7.5,"30.00 C"]
["D16737",15091,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144160","O[C@H]1CC[C@H](CC1)n1cc(Nc2nccc(n2)-c2ccc(OCC3CCC3)c(c2)C#N)cn1","InChI=1S/C25H28N6O2/c26-13-19-12-18(4-9-24(19)33-16-17-2-1-3-17)23-10-11-27-25(30-23)29-20-14-28-31(15-20)21-5-7-22(32)8-6-21/h4,9-12,14-15,17,21-22,32H,1-3,5-8,16H2,(H,27,29,30)/t21-,22+","XSPWFBVBJPGXNR-SZPZYZBQSA-N",null,11,{"$nulls":4},7.5,"30.00 C"]
["D16738",31669,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50402978","O[C@H]1CNC[C@H]1O","InChI=1S/C4H9NO2/c6-3-1-5-2-4(3)7/h3-7H,1-2H2/t3-,4+","JCZPOYAMKJFOLA-ZXZARUISSA-N",null,600000]
["D16739",15326,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278367","O[C@H]1CN[C@@H](C1)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C33H38FN9O4/c34-27-17-43(32(45)28-14-26(44)16-36-28)8-7-30(27)47-29-6-1-21(13-22(29)15-35)31-37-20-38-33(40-31)39-23-2-4-24(5-3-23)41-9-11-42(12-10-41)25-18-46-19-25/h1-6,13,20,25-28,30,36,44H,7-12,14,16-19H2,(H,37,38,39,40)/t26-,27-,28+,30+/m1/s1","XYVFJOXMVUYGJB-LWFIHPCQSA-N",null,18]
["D16740",31646,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Beta-glucosidase","Prunus avium","BDBM50279837","O[C@H]1COC[C@@H](O)[C@@H]1O","InChI=1S/C5H10O4/c6-3-1-9-2-4(7)5(3)8/h3-8H,1-2H2/t3-,4+,5+","QXAMTEJJAZOINB-SCDXWVJYSA-N",39000000]
["D16741",16664,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM278188","O[C@H]1C[C@H](NC1=O)C(=O)N1CC[C@H](Oc2ccc(cc2C#N)-c2ncnc(Nc3ccc(cc3)N3CCN(CC3)C3COC3)n2)[C@H](F)C1","InChI=1S/C33H36FN9O5/c34-25-16-43(32(46)26-14-27(44)31(45)39-26)8-7-29(25)48-28-6-1-20(13-21(28)15-35)30-36-19-37-33(40-30)38-22-2-4-23(5-3-22)41-9-11-42(12-10-41)24-17-47-18-24/h1-6,13,19,24-27,29,44H,7-12,14,16-18H2,(H,39,45)(H,36,37,38,40)/t25-,26+,27+,29+/m1/s1","RERCCWNKTWZZCZ-COROXYKFSA-N",null,2]
["D16742",14818,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM375301","O[S@]1CC[C@@H](CC1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H32N7O3S/c29-16-21-15-20(1-6-26(21)38-25-7-13-39(36)14-8-25)27-30-19-31-28(33-27)32-22-2-4-23(5-3-22)34-9-11-35(12-10-34)24-17-37-18-24/h1-6,15,19,24-25,36H,7-14,17-18H2,(H,30,31,32,33)","UFWLFDZJNONARW-UHFFFAOYSA-N",null,6]
["D16743",14414,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Homo sapiens","BDM50241983","O\\N=C1/Cc2cc(Br)c(Oc3cc(C\\C(=N/O)C(=O)N\\C=C\\c4ccc(Oc5cc(CCNC1=O)cc(Br)c5O)c(Br)c4)cc(Br)c3O)c(Br)c2","InChI=1S/C34H25Br5N4O8/c35-20-7-16-1-2-27(20)50-28-14-17(8-21(36)30(28)44)4-6-41-33(46)25(42-48)12-18-10-23(38)32(24(39)11-18)51-29-15-19(9-22(37)31(29)45)13-26(43-49)34(47)40-5-3-16/h1-3,5,7-11,14-15,25-26,44-45H,4,6,12-13H2,(H,40,47)(H,41,46)","VAZJONQUYPXTIW-UHFFFAOYSA-N",{"$nulls":3},14700]
["D16744",12046,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43177","Oc1c(Br)cc(Br)cc1C=NCc1ccc(F)cc1","InChI=1S/C14H10Br2FNO/c15-11-5-10(14(19)13(16)6-11)8-18-7-9-1-3-12(17)4-2-9/h1-6,8,19H,7H2","RHOVHTSGPYTOHP-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D16745",4541,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66497","Oc1c(Br)cc(NNC(=O)c2ccccc2)cc1Br","InChI=1S/C13H10Br2N2O2/c14-10-6-9(7-11(15)12(10)18)16-17-13(19)8-4-2-1-3-5-8/h1-7,16,18H,(H,17,19)","CHQWSTWLMNEQBG-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16746",14398,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Homo sapiens","BDM50241985","Oc1c(Br)cc2CCNC(=O)C(Cc3cc(Br)c(O)c(Oc4c(Br)cc(CC(N=O)C(=O)NCCc5ccc(Oc1c2)c(Br)c5)cc4Br)c3)N=O","InChI=1S/C34H27Br5N4O8/c35-20-7-16-1-2-27(20)50-28-14-17(8-21(36)30(28)44)4-6-41-34(47)26(43-49)13-19-9-22(37)31(45)29(15-19)51-32-23(38)10-18(11-24(32)39)12-25(42-48)33(46)40-5-3-16/h1-2,7-11,14-15,25-26,44-45H,3-6,12-13H2,(H,40,46)(H,41,47)","IQOBTGDUNDPTER-UHFFFAOYSA-N",{"$nulls":3},">100000"]
["D16747",18596,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Oryctolagus cuniculus","BDM50292368","Oc1c(Br)cc2CCNC(=O)C(Cc3cc(Br)c(O)c(Oc4ccc(CC(N=O)C(=O)NCCc5ccc(Oc1c2)c(Br)c5)cc4Br)c3)N=O","InChI=1S/C34H28Br4N4O8/c35-21-9-17-1-3-27(21)49-29-15-19(11-23(37)31(29)43)6-8-40-34(46)26(42-48)14-20-12-24(38)32(44)30(16-20)50-28-4-2-18(10-22(28)36)13-25(41-47)33(45)39-7-5-17/h1-4,9-12,15-16,25-26,43-44H,5-8,13-14H2,(H,39,45)(H,40,46)","GGIPRGKQFNSELS-UHFFFAOYSA-N",{"$nulls":3},20600]
["D16748",14413,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Homo sapiens","BDM50241984","Oc1c(Br)cc2CCNC(=O)C(Cc3cc(Br)c(Oc4cc(CC(N=O)C(=O)NCCc5cc(Br)c(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O","InChI=1S/C34H26Br6N4O8/c35-19-5-16-2-4-42-33(47)25(43-49)11-17-9-23(39)32(24(40)10-17)52-28-14-18(8-20(36)30(28)46)12-26(44-50)34(48)41-3-1-15-6-21(37)31(22(38)7-15)51-27(13-16)29(19)45/h5-10,13-14,25-26,45-46H,1-4,11-12H2,(H,41,48)(H,42,47)","GDQQKBZRPYUTRS-UHFFFAOYSA-N",{"$nulls":3},2600]
["D16749",14396,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Homo sapiens","BDM50191286","Oc1c(Br)cc2CCNC(=O)C(Cc3cc(Br)c(Oc4cc(CC(N=O)C(=O)NCCc5ccc(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O","InChI=1S/C34H27Br5N4O8/c35-20-7-16-1-2-27(20)50-28-14-17(8-21(36)30(28)44)4-6-41-33(46)25(42-48)12-18-10-23(38)32(24(39)11-18)51-29-15-19(9-22(37)31(29)45)13-26(43-49)34(47)40-5-3-16/h1-2,7-11,14-15,25-26,44-45H,3-6,12-13H2,(H,40,47)(H,41,46)","UVKXJHANKLBBKZ-UHFFFAOYSA-N",{"$nulls":3},2200]
["D16750",14397,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Homo sapiens","BDM50150778","Oc1c(Br)cc2CCNC(=O)C(Cc3ccc(Oc4cc(CC(N=O)C(=O)NC=Cc5ccc(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O","InChI=1S/C34H26Br4N4O8/c35-21-9-17-1-3-27(21)49-29-15-19(11-23(37)31(29)43)6-8-40-33(45)25(41-47)13-18-2-4-28(22(36)10-18)50-30-16-20(12-24(38)32(30)44)14-26(42-48)34(46)39-7-5-17/h1-5,7,9-12,15-16,25-26,43-44H,6,8,13-14H2,(H,39,46)(H,40,45)","VRDYCFRZLGLDCE-UHFFFAOYSA-N",{"$nulls":3},6300]
["D16751",14394,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Homo sapiens","BDM50191280","Oc1c(Br)cc2CCNC(=O)CCNC(=O)CCc3ccc(Oc1c2)c(Br)c3","InChI=1S/C20H20Br2N2O4/c21-14-9-12-1-3-16(14)28-17-11-13(10-15(22)20(17)27)5-7-23-19(26)6-8-24-18(25)4-2-12/h1,3,9-11,27H,2,4-8H2,(H,23,26)(H,24,25)","KAVCIWPHSSAORZ-UHFFFAOYSA-N",null,6000]
["D16752",14410,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","RyR1/FKBP12","Homo sapiens","BDM50475845","Oc1c(Br)cc2CCNC(=O)CCNC(=O)CCc3ccc(Oc1c2)c(c3)N=[N+]=[N-]","InChI=1S/C20H20BrN5O4/c21-14-9-13-5-7-23-19(28)6-8-24-18(27)4-2-12-1-3-16(15(10-12)25-26-22)30-17(11-13)20(14)29/h1,3,9-11,29H,2,4-8H2,(H,23,28)(H,24,27)","YQWNAKYARKZIHD-UHFFFAOYSA-N",{"$nulls":3},20000]
["D16753",14399,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","RyR1/FKBP12","Homo sapiens","BDM50475846","Oc1c(Br)cc2CCNC(=O)CCNC(=O)CCc3ccc(Oc1c2)c(c3)[N+]([O-])=O","InChI=1S/C20H20BrN3O6/c21-14-9-13-5-7-22-19(26)6-8-23-18(25)4-2-12-1-3-16(15(10-12)24(28)29)30-17(11-13)20(14)27/h1,3,9-11,27H,2,4-8H2,(H,22,26)(H,23,25)","SXUIRPYMJKUCAW-UHFFFAOYSA-N",{"$nulls":3},24000]
["D16754",14404,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","RyR1/FKBP12","Homo sapiens","BDM50475840","Oc1c(Br)cc2CCNC(=O)CCc3cc(Br)c(Oc1c2)cc3Br","InChI=1S/C17H14Br3NO3/c18-11-8-14-12(19)7-10(11)1-2-16(22)21-4-3-9-5-13(20)17(23)15(6-9)24-14/h5-8,23H,1-4H2,(H,21,22)","FZPRZWMNCDTIIJ-UHFFFAOYSA-N",{"$nulls":3},">100000"]
["D16755",14395,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Homo sapiens","BDM50191278","Oc1c(Br)cc2CCNC(=O)CCc3ccc(Oc1c2)c(Br)c3","InChI=1S/C17H15Br2NO3/c18-12-7-10-1-3-14(12)23-15-9-11(8-13(19)17(15)22)5-6-20-16(21)4-2-10/h1,3,7-9,22H,2,4-6H2,(H,20,21)","JGORQZKQHPVGIP-UHFFFAOYSA-N",{"$nulls":3},11000]
["D16756",14401,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","RyR1/FKBP12","Homo sapiens","BDM50475838","Oc1c(Br)cc2CCNC(=O)CCc3ccc(Oc1c2)c(I)c3","InChI=1S/C17H15BrINO3/c18-12-7-11-5-6-20-16(21)4-2-10-1-3-14(13(19)8-10)23-15(9-11)17(12)22/h1,3,7-9,22H,2,4-6H2,(H,20,21)","BSGKEDZPZSXTTA-UHFFFAOYSA-N",{"$nulls":3},28600]
["D16757",14403,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","RyR1/FKBP12","Homo sapiens","BDM50475839","Oc1c(Br)cc2CCNC(=O)CCc3ccc(Oc1c2)c(c3)[N+]([O-])=O","InChI=1S/C17H15BrN2O5/c18-12-7-11-5-6-19-16(21)4-2-10-1-3-14(13(8-10)20(23)24)25-15(9-11)17(12)22/h1,3,7-9,22H,2,4-6H2,(H,19,21)","QXKBFCFPQCDZHM-UHFFFAOYSA-N",{"$nulls":3},20900]
["D16758",14409,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","RyR1/FKBP12","Homo sapiens","BDM50475844","Oc1c(Br)cc2CCNC(=O)CCc3ccc(Oc1c2)cc3","InChI=1S/C17H16BrNO3/c18-14-9-12-7-8-19-16(20)6-3-11-1-4-13(5-2-11)22-15(10-12)17(14)21/h1-2,4-5,9-10,21H,3,6-8H2,(H,19,20)","ZDPNXGGQOSNLLU-UHFFFAOYSA-N",{"$nulls":3},">100000"]
["D16759",14407,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","RyR1/FKBP12","Homo sapiens","BDM50475842","Oc1c(Br)cc2CCNC(=O)C[C@H](CCCCNC(=O)c3cc(I)ccc3N=[N+]=[N-])NC(=O)CCc3cc(Br)c(Oc1c2)cc3Br","InChI=1S/C31H30Br3IN6O5/c32-22-16-26-23(33)13-18(22)4-7-28(42)39-20(15-29(43)37-10-8-17-11-24(34)30(44)27(12-17)46-26)3-1-2-9-38-31(45)21-14-19(35)5-6-25(21)40-41-36/h5-6,11-14,16,20,44H,1-4,7-10,15H2,(H,37,43)(H,38,45)(H,39,42)/t20-/m0/s1","OMEJJKYJJHNACL-FQEVSTJZSA-N",{"$nulls":3},6500]
["D16760",14408,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","RyR1/FKBP12","Homo sapiens","BDM50475843","Oc1c(Br)cc2CCNC(=O)C[C@H](CCCCNC(=O)c3cc(I)ccc3N=[N+]=[N-])NC(=O)CCc3ccc(Oc1c2)c(Br)c3","InChI=1S/C31H31Br2IN6O5/c32-23-13-18-4-8-26(23)45-27-15-19(14-24(33)30(27)43)10-12-36-29(42)17-21(38-28(41)9-5-18)3-1-2-11-37-31(44)22-16-20(34)6-7-25(22)39-40-35/h4,6-8,13-16,21,43H,1-3,5,9-12,17H2,(H,36,42)(H,37,44)(H,38,41)/t21-/m0/s1","HTOXGXWFSVQOMS-NRFANRHFSA-N",{"$nulls":3},">100000"]
["D16761",16717,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153738","Oc1c(Cl)cc(NC2=C(C(=O)NC2=O)c2cccc(c2)[N+]([O-])=O)cc1Cl","InChI=1S/C16H9Cl2N3O5/c17-10-5-8(6-11(18)14(10)22)19-13-12(15(23)20-16(13)24)7-2-1-3-9(4-7)21(25)26/h1-6,22H,(H2,19,20,23,24)","QOJSERWVVHZZPL-UHFFFAOYSA-N",null,532]
["D16762",16480,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM50085411","Oc1c(Cl)cc(\\C=C2/C(=O)Nc3ccc(cc23)C(=O)c2ccco2)cc1Cl","InChI=1S/C20H11Cl2NO4/c21-14-7-10(8-15(22)19(14)25)6-13-12-9-11(3-4-16(12)23-20(13)26)18(24)17-2-1-5-27-17/h1-9,25H,(H,23,26)/b13-6-","XKTUKRBLWOHYIL-MLPAPPSSSA-N",null,282]
["D16763",32091,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46380","Oc1c2CCCCc2c(O)n1-c1ccccc1OC(=O)c1ccccc1","InChI=1S/C21H19NO4/c23-19-15-10-4-5-11-16(15)20(24)22(19)17-12-6-7-13-18(17)26-21(25)14-8-2-1-3-9-14/h1-3,6-9,12-13,23-24H,4-5,10-11H2","OPUYVFLNBPAIDJ-UHFFFAOYSA-N",null,">55700"]
["D16764",25691,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50473098","Oc1c2C[n+]3ccc(NCc4ccc(CNc5cc[n+](Cc1cc(I)c2)c1ccccc51)cc4)c1ccccc31","InChI=1S/C34H27IN4O/c35-27-17-25-21-38-15-13-30(28-5-1-3-7-32(28)38)36-19-23-9-11-24(12-10-23)20-37-31-14-16-39(22-26(18-27)34(25)40)33-8-4-2-6-29(31)33/h1-18,40H,19-22H2/p+2","PGYXZIOIFHFWNL-UHFFFAOYSA-P",null,100]
["D16765",25685,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50473097","Oc1c2C[n+]3ccc(NCc4ccc(CNc5cc[n+](Cc1ccc2)c1ccccc51)cc4)c1ccccc31","InChI=1S/C34H28N4O/c39-34-26-6-5-7-27(34)23-38-19-17-31(29-9-2-4-11-33(29)38)36-21-25-14-12-24(13-15-25)20-35-30-16-18-37(22-26)32-10-3-1-8-28(30)32/h1-19,39H,20-23H2/p+2","AXGSAMYCJXCNFL-UHFFFAOYSA-P",null,60]
["D16766",4996,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50358179","Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl","InChI=1S/C21H16ClN3O3/c22-14-10-13(24-19(26)15-3-1-2-8-23-15)6-7-16(14)25-20(27)17-11-4-5-12(9-11)18(17)21(25)28/h1-8,10-12,27-28H,9H2,(H,24,26)/t11-,12+","XWFPWABBHYLIQP-TXEJJXNPSA-N",{"$nulls":3},2900]
["D16767",3740,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM34707","Oc1cc(=C)c(NOS(=O)(=O)c2ccccc2)cc1=C","InChI=1S/C14H13NO4S/c1-10-9-14(16)11(2)8-13(10)15-19-20(17,18)12-6-4-3-5-7-12/h3-9,15-16H,1-2H2","JNZLKQWCDQPZFY-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16768",4229,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66235","Oc1cc(=O)n(CC=C)c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)n1","InChI=1S/C19H25N3O3S/c1-2-3-22-17(25)7-15(23)20-18(22)26-11-16(24)21-19-8-12-4-13(9-19)6-14(5-12)10-19/h2,7,12-14,23H,1,3-6,8-11H2,(H,21,24)","JVGCRTSUGRPDOR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16769",12044,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43175","Oc1cc(C#N)c(cc1-n1nnc2ccccc12)C#N","InChI=1S/C14H7N5O/c15-7-9-5-13(14(20)6-10(9)8-16)19-12-4-2-1-3-11(12)17-18-19/h1-6,20H","XXIRYMPNSWPIEG-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D16770",5051,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50547303","Oc1cc(F)cc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N","InChI=1S/C20H16F2N4O/c21-14-9-15-19(18(27)10-14)24-12-13(11-23)20(15)26-7-5-25(6-8-26)17-4-2-1-3-16(17)22/h1-4,9-10,12,27H,5-8H2","OSPSERAVXYISEI-UHFFFAOYSA-N",{"$nulls":3},">10000"]
["D16771",32158,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50070942","Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1","InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1","WMBWREPUVVBILR-WIYYLYMNSA-N",null,null,700]
["D16772",17703,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM153741","Oc1cc(\\C=N\\NC(=O)C(=O)Nc2cccc(c2)[N+]([O-])=O)cc(O)c1O","InChI=1S/C15H12N4O7/c20-11-4-8(5-12(21)13(11)22)7-16-18-15(24)14(23)17-9-2-1-3-10(6-9)19(25)26/h1-7,20-22H,(H,17,23)(H,18,24)/b16-7+","WLMOQQYMZVIMHV-FRKPEAEDSA-N",null,">1.50e+4"]
["D16773",4626,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66573","Oc1cc(nnc1C(=O)c1ccccc1)-c1ccccc1","InChI=1S/C17H12N2O2/c20-15-11-14(12-7-3-1-4-8-12)18-19-16(15)17(21)13-9-5-2-6-10-13/h1-11H,(H,18,20)","HPNLEUANQIRTMD-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16774",4026,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66927","Oc1cc2OCOc2cc1CN1CCN(CC1)c1ncccn1","InChI=1S/C16H18N4O3/c21-13-9-15-14(22-11-23-15)8-12(13)10-19-4-6-20(7-5-19)16-17-2-1-3-18-16/h1-3,8-9,21H,4-7,10-11H2","ARCOXMPSRJYGRO-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16775",32105,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46395","Oc1ccc(-c2n[nH]c(=S)n2-c2ccc3OCCOc3c2)c(O)c1","InChI=1S/C16H13N3O4S/c20-10-2-3-11(12(21)8-10)15-17-18-16(24)19(15)9-1-4-13-14(7-9)23-6-5-22-13/h1-4,7-8,20-21H,5-6H2,(H,18,24)","FQOSLXVLYVFXEN-UHFFFAOYSA-N",null,">55700"]
["D16776",4256,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66256","Oc1ccc(Br)cc1C(=O)c1cc(C#N)c(=O)n(c1)C1CC1","InChI=1S/C16H11BrN2O3/c17-11-1-4-14(20)13(6-11)15(21)10-5-9(7-18)16(22)19(8-10)12-2-3-12/h1,4-6,8,12,20H,2-3H2","DSBMMHQYMZZKBG-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16777",12243,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM53827","Oc1ccc(Br)cc1C=NNC(=O)C(N1CCOCC1)c1ccncc1","InChI=1S/C18H19BrN4O3/c19-15-1-2-16(24)14(11-15)12-21-22-18(25)17(13-3-5-20-6-4-13)23-7-9-26-10-8-23/h1-6,11-12,17,24H,7-10H2,(H,22,25)","WCSXSFXABUGTAD-UHFFFAOYSA-N",null,">11958"]
["D16778",31704,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43526","Oc1ccc(C(=O)CSc2nc3ccccc3c(=O)[nH]2)c(O)c1","InChI=1S/C16H12N2O4S/c19-9-5-6-11(13(20)7-9)14(21)8-23-16-17-12-4-2-1-3-10(12)15(22)18-16/h1-7,19-20H,8H2,(H,17,18,22)","HLPCWKJOJSOZPX-UHFFFAOYSA-N",null,9385]
["D16779",4685,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM47456","Oc1ccc(C=NN2CCN(CC2)C2c3ccccc3-c3ccccc23)cc1O","InChI=1S/C24H23N3O2/c28-22-10-9-17(15-23(22)29)16-25-27-13-11-26(12-14-27)24-20-7-3-1-5-18(20)19-6-2-4-8-21(19)24/h1-10,15-16,24,28-29H,11-14H2","GKLQFLINJRNJOX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16780",11904,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43050","Oc1ccc(C=NNC(=O)c2csc3ccccc23)cc1","InChI=1S/C16H12N2O2S/c19-12-7-5-11(6-8-12)9-17-18-16(20)14-10-21-15-4-2-1-3-13(14)15/h1-10,19H,(H,18,20)","OWNPBRZOWGFAPO-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D16781",32222,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50241817","Oc1ccc(CCCNC(=O)c2cc3ccc(O)cc3oc2=O)cc1","InChI=1S/C19H17NO5/c21-14-6-3-12(4-7-14)2-1-9-20-18(23)16-10-13-5-8-15(22)11-17(13)25-19(16)24/h3-8,10-11,21-22H,1-2,9H2,(H,20,23)","IRTLXYIOFBGNOF-UHFFFAOYSA-N",null,820]
["D16782",18594,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Oryctolagus cuniculus","BDM50292366","Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(c2)-c2cc(CC(N=O)C(=O)NCCc3ccc(OS([O-])(=O)=O)c(Br)c3)cc(Br)c2O)N=O)cc1Br","InChI=1S/C34H30Br4N4O11S/c35-23-11-17(1-3-29(23)43)5-7-39-33(46)27(41-48)15-19-9-21(31(44)25(37)13-19)22-10-20(14-26(38)32(22)45)16-28(42-49)34(47)40-8-6-18-2-4-30(24(36)12-18)53-54(50,51)52/h1-4,9-14,27-28,43-45H,5-8,15-16H2,(H,39,46)(H,40,47)(H,50,51,52)/p-1","NNNSRBCENXRYOM-UHFFFAOYSA-M",{"$nulls":3},100000]
["D16783",4664,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66604","Oc1ccc(CCNC(=O)CSc2ccc3ccccc3c2)cc1O","InChI=1S/C20H19NO3S/c22-18-8-5-14(11-19(18)23)9-10-21-20(24)13-25-17-7-6-15-3-1-2-4-16(15)12-17/h1-8,11-12,22-23H,9-10,13H2,(H,21,24)","GHZCKDRULRJZIA-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16784",4756,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66679","Oc1ccc(C[C@H]2CNCCN2CCCCC2CCCCC2)cc1","InChI=1S/C21H34N2O/c24-21-11-9-19(10-12-21)16-20-17-22-13-15-23(20)14-5-4-8-18-6-2-1-3-7-18/h9-12,18,20,22,24H,1-8,13-17H2/t20-/m0/s1","NKLGHVMBNHXNNG-FQEVSTJZSA-N",{"$nulls":3},">350000"]
["D16785",31722,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43645","Oc1ccc(Cl)cc1NC(=O)COc1ccccc1Cl","InChI=1S/C14H11Cl2NO3/c15-9-5-6-12(18)11(7-9)17-14(19)8-20-13-4-2-1-3-10(13)16/h1-7,18H,8H2,(H,17,19)","WDTITYMYYRYYCI-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D16786",4750,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66674","Oc1ccc(NC(=O)c2cccc(Cl)c2)c2oc(cc(=O)c12)-c1cccc(Cl)c1","InChI=1S/C22H13Cl2NO4/c23-14-5-1-3-12(9-14)19-11-18(27)20-17(26)8-7-16(21(20)29-19)25-22(28)13-4-2-6-15(24)10-13/h1-11,26H,(H,25,28)","IOYQVNCKQRFOEG-UHFFFAOYSA-N",{"$nulls":3},80480]
["D16787",12015,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43146","Oc1ccc(NCc2cccc(OCc3ccc(F)cc3)c2)cc1","InChI=1S/C20H18FNO2/c21-17-6-4-15(5-7-17)14-24-20-3-1-2-16(12-20)13-22-18-8-10-19(23)11-9-18/h1-12,22-23H,13-14H2","XUNIJUAQFWUCRL-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D16788",11982,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM33154","Oc1ccc(NCc2ccccc2OCc2ccccc2)cc1","InChI=1S/C20H19NO2/c22-19-12-10-18(11-13-19)21-14-17-8-4-5-9-20(17)23-15-16-6-2-1-3-7-16/h1-13,21-22H,14-15H2","ZLPWCJQFEROJQN-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D16789",4376,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66307","Oc1ccc(O)n1-c1cccc(OC(=O)Cc2ccccc2)c1","InChI=1S/C18H15NO4/c20-16-9-10-17(21)19(16)14-7-4-8-15(12-14)23-18(22)11-13-5-2-1-3-6-13/h1-10,12,20-21H,11H2","UXVOKJJPJHZUOJ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16790",32224,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50029207","Oc1ccc(\\C=C\\C(=O)OCCc2ccccc2)cc1O","InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+","SWUARLUWKZWEBQ-VQHVLOKHSA-N",null,2300]
["D16791",4399,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM50042944","Oc1ccc(\\C=C\\C(=O)c2ccc(O)cc2O)cc1","InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+","DXDRHHKMWQZJHT-FPYGCLRLSA-N",{"$nulls":3},">350000"]
["D16792",31410,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Cyclin-dependent kinase 11A","Homo sapiens","BDBM13531","Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1","InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)","QHKYPYXTTXKZST-UHFFFAOYSA-N",null,null,">10000"]
["D16793",12037,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43168","Oc1ccc(cc1)C1C(=O)c2ccccc2C1=O","InChI=1S/C15H10O3/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13,16H","VTQJAXNKAJABAA-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D16794",11778,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM67623","Oc1ccc2c(C#N)c3ccccn3c2c1","InChI=1S/C13H8N2O/c14-8-11-10-5-4-9(16)7-13(10)15-6-2-1-3-12(11)15/h1-7,16H","OPRUTASSYAGEDI-UHFFFAOYSA-N",null,1378]
["D16795",31689,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43527","Oc1ccc2c(CSc3nc4ccccc4c(=O)[nH]3)cc(=O)oc2c1","InChI=1S/C18H12N2O4S/c21-11-5-6-12-10(7-16(22)24-15(12)8-11)9-25-18-19-14-4-2-1-3-13(14)17(23)20-18/h1-8,21H,9H2,(H,19,20,23)","WJUOJTBPBKGQGN-UHFFFAOYSA-N",null,4363]
["D16796",32221,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50241828","Oc1ccc2cc(C(=O)NCCCc3ccc(F)cc3)c(=O)oc2c1","InChI=1S/C19H16FNO4/c20-14-6-3-12(4-7-14)2-1-9-21-18(23)16-10-13-5-8-15(22)11-17(13)25-19(16)24/h3-8,10-11,22H,1-2,9H2,(H,21,23)","YNGXWVIJSUJZSG-UHFFFAOYSA-N",null,350]
["D16797",14988,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Protein cereblon/Serine/threonine-protein kinase TBK1","Homo sapiens","BDM199250","Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1","InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22)","GDVRVPIXWXOKQO-UHFFFAOYSA-N",null,"<1.000000"]
["D16798",31885,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46396","Oc1cccc(NC(=O)C(=O)Nc2ccccn2)c1","InChI=1S/C13H11N3O3/c17-10-5-3-4-9(8-10)15-12(18)13(19)16-11-6-1-2-7-14-11/h1-8,17H,(H,15,18)(H,14,16,19)","CSFSBBOINZNDGR-UHFFFAOYSA-N",null,45460]
["D16799",31848,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM46363","Oc1cccc(NC(=O)c2noc-3c2CCc2ccccc-32)c1","InChI=1S/C18H14N2O3/c21-13-6-3-5-12(10-13)19-18(22)16-15-9-8-11-4-1-2-7-14(11)17(15)23-20-16/h1-7,10,21H,8-9H2,(H,19,22)","URRAEHCQHZSLIK-UHFFFAOYSA-N",null,26270]
["D16800",25879,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Transient receptor potential cation channel subfamily M member 6","Homo sapiens","BDBM25045","Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1","InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2","TUVCWJQQGGETHL-UHFFFAOYSA-N",null,null,">10000"]
["D16801",5050,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50547302","Oc1cccc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N","InChI=1S/C20H17FN4O/c21-16-5-1-2-6-17(16)24-8-10-25(11-9-24)20-14(12-22)13-23-19-15(20)4-3-7-18(19)26/h1-7,13,26H,8-11H2","AIUNEQKZAPFXQN-UHFFFAOYSA-N",{"$nulls":3},">10000"]
["D16802",32038,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM42583","Oc1cccc2c1sc1nc3CCCCCn3c(=O)c21","InChI=1S/C15H14N2O2S/c18-10-6-4-5-9-12-14(20-13(9)10)16-11-7-2-1-3-8-17(11)15(12)19/h4-6,18H,1-3,7-8H2","ROGKCGCLJPZITK-UHFFFAOYSA-N",null,">55700"]
["D16803",32240,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50543401","Oc1cccc2cc(C(=O)Nc3ccc(F)cc3)c(=N)oc12","InChI=1S/C16H11FN2O3/c17-10-4-6-11(7-5-10)19-16(21)12-8-9-2-1-3-13(20)14(9)22-15(12)18/h1-8,18,20H,(H,19,21)","QCQCGUXVKSMDJY-UHFFFAOYSA-N",null,">10000"]
["D16804",32238,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50543405","Oc1cccc2cc(C(=O)Nc3cccc(Cl)c3)c(=N)oc12","InChI=1S/C16H11ClN2O3/c17-10-4-2-5-11(8-10)19-16(21)12-7-9-3-1-6-13(20)14(9)22-15(12)18/h1-8,18,20H,(H,19,21)","XWVIZUMXGDTWIQ-UHFFFAOYSA-N",null,">10000"]
["D16805",32236,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50543402","Oc1cccc2cc(C(=O)Nc3cccc(F)c3)c(=N)oc12","InChI=1S/C16H11FN2O3/c17-10-4-2-5-11(8-10)19-16(21)12-7-9-3-1-6-13(20)14(9)22-15(12)18/h1-8,18,20H,(H,19,21)","SSZMTVBOJMKJFN-UHFFFAOYSA-N",null,">10000"]
["D16806",32241,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50543404","Oc1cccc2cc(C(=O)Nc3ccccc3C(F)(F)F)c(=N)oc12","InChI=1S/C17H11F3N2O3/c18-17(19,20)11-5-1-2-6-12(11)22-16(24)10-8-9-4-3-7-13(23)14(9)25-15(10)21/h1-8,21,23H,(H,22,24)","CNJDAVIXUMTMCU-UHFFFAOYSA-N",null,">10000"]
["D16807",32237,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50543400","Oc1cccc2cc(C(=O)Nc3ccccc3Cl)c(=N)oc12","InChI=1S/C16H11ClN2O3/c17-11-5-1-2-6-12(11)19-16(21)10-8-9-4-3-7-13(20)14(9)22-15(10)18/h1-8,18,20H,(H,19,21)","LMSWVJGSEXBYNG-UHFFFAOYSA-N",null,">10000"]
["D16808",3962,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66869","Oc1ccccc1C=NNC(=O)C1CN(C(=O)C1)c1ccc(F)cc1","InChI=1S/C18H16FN3O3/c19-14-5-7-15(8-6-14)22-11-13(9-17(22)24)18(25)21-20-10-12-3-1-2-4-16(12)23/h1-8,10,13,23H,9,11H2,(H,21,25)","DYMLDASAQZZVCF-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16809",12151,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM4541","Oc1ccccc1C=NNC(=O)CCCOc1ccc(Cl)cc1Cl","InChI=1S/C17H16Cl2N2O3/c18-13-7-8-16(14(19)10-13)24-9-3-6-17(23)21-20-11-12-4-1-2-5-15(12)22/h1-2,4-5,7-8,10-11,22H,3,6,9H2,(H,21,23)","INTXPLVFGPOGKD-UHFFFAOYSA-N",null,6316]
["D16810",12248,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM4975","Oc1ccccc1C=NNC(=O)CCn1cnc(c1-c1ccccc1)-c1ccccc1","InChI=1S/C25H22N4O2/c30-22-14-8-7-13-21(22)17-27-28-23(31)15-16-29-18-26-24(19-9-3-1-4-10-19)25(29)20-11-5-2-6-12-20/h1-14,17-18,30H,15-16H2,(H,28,31)","GMKABSSSWHQPRP-UHFFFAOYSA-N",null,12191]
["D16811",31721,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43644","Oc1ccccc1NC(=O)c1csc2CCCCc12","InChI=1S/C15H15NO2S/c17-13-7-3-2-6-12(13)16-15(18)11-9-19-14-8-4-1-5-10(11)14/h2-3,6-7,9,17H,1,4-5,8H2,(H,16,18)","DJMWKSLIGHVDNN-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D16812",3832,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66760","Oc1ccn(CC#C)c(=O)c1Cc1ccccc1","InChI=1S/C15H13NO2/c1-2-9-16-10-8-14(17)13(15(16)18)11-12-6-4-3-5-7-12/h1,3-8,10,17H,9,11H2","VMEUMBSFEHWEMB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16813",16777,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM373537","Oc1nc(nc(-c2ccc3OCOc3c2)c1C#N)N1CCCCC1","InChI=1S/C17H16N4O3/c18-9-12-15(11-4-5-13-14(8-11)24-10-23-13)19-17(20-16(12)22)21-6-2-1-3-7-21/h4-5,8H,1-3,6-7,10H2,(H,19,20,22)","JDFFLUSGYBZEGW-UHFFFAOYSA-N",null,670]
["D16814",18100,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM357013","Oc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1.C(Nc1nc(nc2cccc(-c3ccccc3)c12)-c1cncnc1)c1ccccn1","InChI=1S/C24H18N6.C18H12N4O/c1-2-7-17(8-3-1)20-10-6-11-21-22(20)24(28-15-19-9-4-5-12-27-19)30-23(29-21)18-13-25-16-26-14-18;23-18-16-14(12-5-2-1-3-6-12)7-4-8-15(16)21-17(22-18)13-9-19-11-20-10-13/h1-14,16H,15H2,(H,28,29,30);1-11H,(H,21,22,23)","VZKHWWWTMNZHEU-UHFFFAOYSA-N",null,50000]
["D16815",11771,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM63207","On1n(nc([N+]([O-])=O)\\c1=N\\c1ccccc1)-c1ccc2OCCOc2c1","InChI=1S/C16H13N5O5/c22-20-15(17-11-4-2-1-3-5-11)16(21(23)24)18-19(20)12-6-7-13-14(10-12)26-9-8-25-13/h1-7,10,22H,8-9H2/b17-15-","GCOAGOGHZSWKLF-ICFOKQHNSA-N",null,1076]
["D16816",12175,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM7630","S=C(N1CCOCC1)c1ccc(cc1)-c1ccccc1","InChI=1S/C17H17NOS/c20-17(18-10-12-19-13-11-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9H,10-13H2","UFOJHOBTUJFOEG-UHFFFAOYSA-N",null,7590]
["D16817",4293,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66395","S=C(NCCc1ccccc1)NC1CCCCCC1","InChI=1S/C16H24N2S/c19-16(18-15-10-6-1-2-7-11-15)17-13-12-14-8-4-3-5-9-14/h3-5,8-9,15H,1-2,6-7,10-13H2,(H2,17,18,19)","ZDJIVOYTTMIHIB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16818",4593,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66543","S=C(Nc1ccccc1)N1N=C(CC1c1cccs1)c1cccs1","InChI=1S/C18H15N3S3/c22-18(19-13-6-2-1-3-7-13)21-15(17-9-5-11-24-17)12-14(20-21)16-8-4-10-23-16/h1-11,15H,12H2,(H,19,22)","MJTDUHQGFMMCRU-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16819",5053,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50547305","[2H]C([2H])([2H])Oc1cc(F)cc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N","InChI=1S/C21H18F2N4O/c1-28-19-11-15(22)10-16-20(19)25-13-14(12-24)21(16)27-8-6-26(7-9-27)18-5-3-2-4-17(18)23/h2-5,10-11,13H,6-9H2,1H3/i1D3","ILGOICKJVGZODR-FIBGUPNXSA-N",{"$nulls":3},1100]
["D16820",5052,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Metabotropic glutamate receptor 7 (mGlu7)","Homo sapiens","BDBM50547304","[2H]C([2H])([2H])Oc1cccc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N","InChI=1S/C21H19FN4O/c1-27-19-8-4-5-16-20(19)24-14-15(13-23)21(16)26-11-9-25(10-12-26)18-7-3-2-6-17(18)22/h2-8,14H,9-12H2,1H3/i1D3","IVIYDHTVCLPJQV-FIBGUPNXSA-N",{"$nulls":3},1500]
["D16821",25756,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50248016","[Br-].[Br-].CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)[N+]1(C)CCCCC1)[N+]1(C)CCCCC1","InChI=1S/C35H60N2O4/c1-24(38)40-32-21-26-13-14-27-28(35(26,4)23-31(32)37(6)19-11-8-12-20-37)15-16-34(3)29(27)22-30(33(34)41-25(2)39)36(5)17-9-7-10-18-36/h26-33H,7-23H2,1-6H3/q+2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-/m0/s1","GVEAYVLWDAFXET-XGHATYIMSA-N",null,6800]
["D16822",15802,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144171","[C-]#[N+]c1cc(ccc1OCC1CC1)-c1ccnc(Nc2ccn(n2)C2CCNCC2)c1","InChI=1S/C24H26N6O/c1-25-21-14-18(4-5-22(21)31-16-17-2-3-17)19-6-12-27-24(15-19)28-23-9-13-30(29-23)20-7-10-26-11-8-20/h4-6,9,12-15,17,20,26H,2-3,7-8,10-11,16H2,(H,27,28,29)","IWILCSQODDAQDC-UHFFFAOYSA-N",null,50,{"$nulls":4},7.5,"30.00 C"]
["D16823",15895,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM144176","[C-]#[N+]c1cc(ccc1OCC1CCC1)-c1ccnc(Nc2ccn(n2)C2CCNCC2)c1","InChI=1S/C25H28N6O/c1-26-22-15-19(5-6-23(22)32-17-18-3-2-4-18)20-7-13-28-25(16-20)29-24-10-14-31(30-24)21-8-11-27-12-9-21/h5-7,10,13-16,18,21,27H,2-4,8-9,11-12,17H2,(H,28,29,30)","XEHKYAPSLVQNOG-UHFFFAOYSA-N",null,65,{"$nulls":4},7.5,"30.00 C"]
["D16824",4117,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67003","[Cl-].CCCCc1cn(nn1)[C@@H](CCCC[NH3+])C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCC[NH3+])n1cc(CCC(O)=O)nn1","InChI=1S/C43H70N16O7.ClH/c1-3-5-10-34-32-58(52-50-34)36(11-6-8-15-44)39(62)54-18-22-56(23-19-54)42-47-41(46-17-27-65-29-31-66-30-28-64-26-4-2)48-43(49-42)57-24-20-55(21-25-57)40(63)37(12-7-9-16-45)59-33-35(51-53-59)13-14-38(60)61;/h2,32-33,36-37H,3,5-31,44-45H2,1H3,(H,60,61)(H,46,47,48,49);1H/p+1/t36-,37-;/m0./s1","KBJBRSFJXDPTHR-GVGVJZOBSA-O",{"$nulls":3},">350000"]
["D16825",25652,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50475209","[I-].CCc1cccc2CC[N+](C)(C)C(Cc3ccc(OC)c(OC)c3)c12","InChI=1S/C22H30NO2.HI/c1-6-17-8-7-9-18-12-13-23(2,3)19(22(17)18)14-16-10-11-20(24-4)21(15-16)25-5;/h7-11,15,19H,6,12-14H2,1-5H3;1H/q+1;/p-1","FPDDXQLQOGXSAX-UHFFFAOYSA-M",2600]
["D16826",25651,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50476029","[I-].COc1cc2CC[N+](C)(C)C(Cc3ccc4ccccc4c3)c2c(OC)c1OC","InChI=1S/C25H30NO3.HI/c1-26(2)13-12-20-16-22(27-3)24(28-4)25(29-5)23(20)21(26)15-17-10-11-18-8-6-7-9-19(18)14-17;/h6-11,14,16,21H,12-13,15H2,1-5H3;1H/q+1;/p-1","XMYKBPJMJSICCR-UHFFFAOYSA-M",2200]
["D16827",25642,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50476031","[I-].COc1cc2CC[N+](C)(C)C(Cc3ccc4ccccc4c3)c2cc1OC","InChI=1S/C24H28NO2.HI/c1-25(2)12-11-20-15-23(26-3)24(27-4)16-21(20)22(25)14-17-9-10-18-7-5-6-8-19(18)13-17;/h5-10,13,15-16,22H,11-12,14H2,1-4H3;1H/q+1;/p-1","IJTPVEIMFVMJOT-UHFFFAOYSA-M",910]
["D16828",25660,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50475211","[I-].COc1ccc(CC2c3c(Br)cccc3CC[N+]2(C)C)cc1OC","InChI=1S/C20H25BrNO2.HI/c1-22(2)11-10-15-6-5-7-16(21)20(15)17(22)12-14-8-9-18(23-3)19(13-14)24-4;/h5-9,13,17H,10-12H2,1-4H3;1H/q+1;/p-1","HSZCYKSFUCWPPX-UHFFFAOYSA-M",6800]
["D16829",25658,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50475208","[I-].COc1ccc(CC2c3c(C)cccc3CC[N+]2(C)C)cc1OC","InChI=1S/C21H28NO2.HI/c1-15-7-6-8-17-11-12-22(2,3)18(21(15)17)13-16-9-10-19(23-4)20(14-16)24-5;/h6-10,14,18H,11-13H2,1-5H3;1H/q+1;/p-1","VJGVQFFXOAVZOV-UHFFFAOYSA-M",5500]
["D16830",25641,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50476033","[I-].COc1ccc(CC2c3c(CC[N+]2(C)C)cc(OC)c(OC)c3OC)cc1OC","InChI=1S/C23H32NO5.HI/c1-24(2)11-10-16-14-20(27-5)22(28-6)23(29-7)21(16)17(24)12-15-8-9-18(25-3)19(13-15)26-4;/h8-9,13-14,17H,10-12H2,1-7H3;1H/q+1;/p-1","HEPFPUQATOXWDY-UHFFFAOYSA-M",730]
["D16831",25647,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50475213","[I-].COc1ccc(CC2c3c(CC[N+]2(C)C)cccc3C(C)C)cc1OC","InChI=1S/C23H32NO2.HI/c1-16(2)19-9-7-8-18-12-13-24(3,4)20(23(18)19)14-17-10-11-21(25-5)22(15-17)26-6;/h7-11,15-16,20H,12-14H2,1-6H3;1H/q+1;/p-1","OXRLEZYKWLHOKV-UHFFFAOYSA-M",1600]
["D16832",25662,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50475210","[I-].COc1ccc(CC2c3c(Cl)cccc3CC[N+]2(C)C)cc1OC","InChI=1S/C20H25ClNO2.HI/c1-22(2)11-10-15-6-5-7-16(21)20(15)17(22)12-14-8-9-18(23-3)19(13-14)24-4;/h5-9,13,17H,10-12H2,1-4H3;1H/q+1;/p-1","XGRTWIUDASITLZ-UHFFFAOYSA-M",9300]
["D16833",25657,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50476032","[I-].COc1ccc(CCC2c3cc(OC)c(OC)cc3CC[N+]2(C)C)cc1OC","InChI=1S/C23H32NO4.HI/c1-24(2)12-11-17-14-22(27-5)23(28-6)15-18(17)19(24)9-7-16-8-10-20(25-3)21(13-16)26-4;/h8,10,13-15,19H,7,9,11-12H2,1-6H3;1H/q+1;/p-1","OVELEZMOERRWJH-UHFFFAOYSA-M",5400]
["D16834",25653,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50475206","[I-].COc1ccc2C(OC(=O)c2c1OC)C1c2c(CC[N+]1(C)C)cc1OCOc1c2OC","InChI=1S/C23H26NO7.HI/c1-24(2)9-8-12-10-15-21(30-11-29-15)22(28-5)16(12)18(24)19-13-6-7-14(26-3)20(27-4)17(13)23(25)31-19;/h6-7,10,18-19H,8-9,11H2,1-5H3;1H/q+1;/p-1","GOZWOMMRIDTRJO-UHFFFAOYSA-M",3600]
["D16835",25654,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50476028","[I-].COc1ccc2[C@H](OC(=O)c2c1OC)[C@H]1c2c(CC[N+]1(C)C)cc1OCOc1c2OC","InChI=1S/C23H26NO7.HI/c1-24(2)9-8-12-10-15-21(30-11-29-15)22(28-5)16(12)18(24)19-13-6-7-14(26-3)20(27-4)17(13)23(25)31-19;/h6-7,10,18-19H,8-9,11H2,1-5H3;1H/q+1;/p-1/t18-,19+;/m1./s1","GOZWOMMRIDTRJO-VOMIJIAVSA-M",3600]
["D16836",25704,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50474864","[I-].[I-].C1CCCCNc2cc[n+](CCCCCCCC[n+]3ccc(NCCC1)c1ccccc31)c1ccccc21","InChI=1S/C34H44N4/c1-2-6-14-24-36-32-22-28-38(34-20-12-10-18-30(32)34)26-16-8-4-3-7-15-25-37-27-21-31(35-23-13-5-1)29-17-9-11-19-33(29)37/h9-12,17-22,27-28H,1-8,13-16,23-26H2/p+2/b35-31+,36-32?","IFZNVKLRNOCERD-MSFSTKLDSA-P",null,190]
["D16837",25634,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50476803","[I-].[I-].COc1cc2cc[n+](C)c(CCCCCc3[n+](C)ccc4cc(OC)c(OC)cc34)c2cc1OC","InChI=1S/C29H36N2O4/c1-30-14-12-20-16-26(32-3)28(34-5)18-22(20)24(30)10-8-7-9-11-25-23-19-29(35-6)27(33-4)17-21(23)13-15-31(25)2/h12-19H,7-11H2,1-6H3/q+2","DFHSVQGNICZCBC-UHFFFAOYSA-N",150]
["D16838",25630,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50476800","[I-].[I-].COc1cc2cc[n+](C)c(CCCCc3[n+](C)ccc4cc(OC)c(OC)c(OC)c34)c2c(OC)c1OC","InChI=1S/C30H38N2O6/c1-31-15-13-19-17-23(33-3)27(35-5)29(37-7)25(19)21(31)11-9-10-12-22-26-20(14-16-32(22)2)18-24(34-4)28(36-6)30(26)38-8/h13-18H,9-12H2,1-8H3/q+2","QNXRPMKCZDYCOO-UHFFFAOYSA-N",42]
["D16839",25636,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50476810","[I-].[I-].COc1cc2cc[n+](C)c(CCCCc3[n+](C)ccc4cc(OC)c(OC)cc34)c2cc1OC","InChI=1S/C28H34N2O4/c1-29-13-11-19-15-25(31-3)27(33-5)17-21(19)23(29)9-7-8-10-24-22-18-28(34-6)26(32-4)16-20(22)12-14-30(24)2/h11-18H,7-10H2,1-6H3/q+2","XUGWUTDFIWEFMB-UHFFFAOYSA-N",164]
["D16840",25631,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50476798","[I-].[I-].COc1cc2cc[n+](C)c(CCCc3[n+](C)ccc4cc(OC)c(OC)c(OC)c34)c2c(OC)c1OC","InChI=1S/C29H36N2O6/c1-30-14-12-18-16-22(32-3)26(34-5)28(36-7)24(18)20(30)10-9-11-21-25-19(13-15-31(21)2)17-23(33-4)27(35-6)29(25)37-8/h12-17H,9-11H2,1-8H3/q+2","WYNWKTNOQRIKBD-UHFFFAOYSA-N",90]
["D16841",25637,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50476805","[I-].[I-].COc1cc2cc[n+](C)c(CCCc3[n+](C)ccc4cc(OC)c(OC)cc34)c2cc1OC","InChI=1S/C27H32N2O4/c1-28-12-10-18-14-24(30-3)26(32-5)16-20(18)22(28)8-7-9-23-21-17-27(33-6)25(31-4)15-19(21)11-13-29(23)2/h10-17H,7-9H2,1-6H3/q+2","VGZAUPORTCLKEB-UHFFFAOYSA-N",196]
["D16842",25639,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50476806","[I-].[I-].COc1cc2cc[n+](C)c(Cc3ccc(Cc4[n+](C)ccc5cc(OC)c(OC)c(OC)c45)cc3)c2c(OC)c1OC","InChI=1S/C34H38N2O6/c1-35-15-13-23-19-27(37-3)31(39-5)33(41-7)29(23)25(35)17-21-9-11-22(12-10-21)18-26-30-24(14-16-36(26)2)20-28(38-4)32(40-6)34(30)42-8/h9-16,19-20H,17-18H2,1-8H3/q+2","XEYGOQWMOWNAEU-UHFFFAOYSA-N",280]
["D16843",25635,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50476813","[I-].[I-].COc1cc2cc[n+](C)c(Cc3ccc(Cc4[n+](C)ccc5cc(OC)c(OC)cc45)cc3)c2cc1OC","InChI=1S/C32H34N2O4/c1-33-13-11-23-17-29(35-3)31(37-5)19-25(23)27(33)15-21-7-9-22(10-8-21)16-28-26-20-32(38-6)30(36-4)18-24(26)12-14-34(28)2/h7-14,17-20H,15-16H2,1-6H3/q+2","DOPHHDCOIZYVAU-UHFFFAOYSA-N",163]
["D16844",25627,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50476799","[I-].[I-].COc1cc2cc[n+](C)c(Cc3cccc(Cc4[n+](C)ccc5cc(OC)c(OC)c(OC)c45)c3)c2c(OC)c1OC","InChI=1S/C34H38N2O6/c1-35-14-12-23-19-27(37-3)31(39-5)33(41-7)29(23)25(35)17-21-10-9-11-22(16-21)18-26-30-24(13-15-36(26)2)20-28(38-4)32(40-6)34(30)42-8/h9-16,19-20H,17-18H2,1-8H3/q+2","PCPXOPGLLIQYTL-UHFFFAOYSA-N",23]
["D16845",25632,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50476801","[I-].[I-].COc1cc2cc[n+](C)c(Cc3cccc(Cc4[n+](C)ccc5cc(OC)c(OC)cc45)c3)c2cc1OC","InChI=1S/C32H34N2O4/c1-33-12-10-23-17-29(35-3)31(37-5)19-25(23)27(33)15-21-8-7-9-22(14-21)16-28-26-20-32(38-6)30(36-4)18-24(26)11-13-34(28)2/h7-14,17-20H,15-16H2,1-6H3/q+2","OFPOXHUNQVRYFK-UHFFFAOYSA-N",106]
["D16846",25629,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50476802","[I-].[I-].COc1cc2cc[n+](C)c(Cc3ccccc3Cc3[n+](C)ccc4cc(OC)c(OC)c(OC)c34)c2c(OC)c1OC","InChI=1S/C34H38N2O6/c1-35-15-13-23-19-27(37-3)31(39-5)33(41-7)29(23)25(35)17-21-11-9-10-12-22(21)18-26-30-24(14-16-36(26)2)20-28(38-4)32(40-6)34(30)42-8/h9-16,19-20H,17-18H2,1-8H3/q+2","ROTPHKOTMHELTA-UHFFFAOYSA-N",35]
["D16847",25628,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50476809","[I-].[I-].COc1cc2cc[n+](C)c(Cc3ccccc3Cc3[n+](C)ccc4cc(OC)c(OC)cc34)c2cc1OC","InChI=1S/C32H34N2O4/c1-33-13-11-23-17-29(35-3)31(37-5)19-25(23)27(33)15-21-9-7-8-10-22(21)16-28-26-20-32(38-6)30(36-4)18-24(26)12-14-34(28)2/h7-14,17-20H,15-16H2,1-6H3/q+2","KCUMNQNAEZNVSR-UHFFFAOYSA-N",33]
["D16848",25646,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50476812","[I-].[I-].C[n+]1ccc2ccccc2c1CCCCCc1[n+](C)ccc2ccccc12","InChI=1S/C25H28N2/c1-26-18-16-20-10-6-8-12-22(20)24(26)14-4-3-5-15-25-23-13-9-7-11-21(23)17-19-27(25)2/h6-13,16-19H,3-5,14-15H2,1-2H3/q+2","MOKFBIHQNJRXAH-UHFFFAOYSA-N",1465]
["D16849",25650,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50476811","[I-].[I-].C[n+]1ccc2ccccc2c1CCCCc1[n+](C)ccc2ccccc12","InChI=1S/C24H26N2/c1-25-17-15-19-9-3-5-11-21(19)23(25)13-7-8-14-24-22-12-6-4-10-20(22)16-18-26(24)2/h3-6,9-12,15-18H,7-8,13-14H2,1-2H3/q+2","ZGKRBKPULBFLDB-UHFFFAOYSA-N",1962]
["D16850",25649,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50476808","[I-].[I-].C[n+]1ccc2ccccc2c1CCCc1[n+](C)ccc2ccccc12","InChI=1S/C23H24N2/c1-24-16-14-18-8-3-5-10-20(18)22(24)12-7-13-23-21-11-6-4-9-19(21)15-17-25(23)2/h3-6,8-11,14-17H,7,12-13H2,1-2H3/q+2","CLPVYFURINHBIG-UHFFFAOYSA-N",1687]
["D16851",25643,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50476814","[I-].[I-].C[n+]1ccc2ccccc2c1Cc1ccc(Cc2[n+](C)ccc3ccccc23)cc1","InChI=1S/C28H26N2/c1-29-17-15-23-7-3-5-9-25(23)27(29)19-21-11-13-22(14-12-21)20-28-26-10-6-4-8-24(26)16-18-30(28)2/h3-18H,19-20H2,1-2H3/q+2","LWRCHJOZSOOPLQ-UHFFFAOYSA-N",1103]
["D16852",25633,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50476807","[I-].[I-].C[n+]1ccc2ccccc2c1Cc1cccc(Cc2[n+](C)ccc3ccccc23)c1","InChI=1S/C28H26N2/c1-29-16-14-23-10-3-5-12-25(23)27(29)19-21-8-7-9-22(18-21)20-28-26-13-6-4-11-24(26)15-17-30(28)2/h3-18H,19-20H2,1-2H3/q+2","AHNNVJJDVCCGRU-UHFFFAOYSA-N",132]
["D16853",25640,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50476804","[I-].[I-].C[n+]1ccc2ccccc2c1Cc1ccccc1Cc1[n+](C)ccc2ccccc12","InChI=1S/C28H26N2/c1-29-17-15-21-9-5-7-13-25(21)27(29)19-23-11-3-4-12-24(23)20-28-26-14-8-6-10-22(26)16-18-30(28)2/h3-18H,19-20H2,1-2H3/q+2","LOHLGOKUOSMVNL-UHFFFAOYSA-N",438]
["D16854",25717,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50054095","[NH2+]=c1ccn(Cc2ccc(CCc3ccc(Cn4ccc(=[NH2+])c5ccccc45)cc3)cc2)c2ccccc12","InChI=1S/C34H30N4/c35-31-19-21-37(33-7-3-1-5-29(31)33)23-27-15-11-25(12-16-27)9-10-26-13-17-28(18-14-26)24-38-22-20-32(36)30-6-2-4-8-34(30)38/h1-8,11-22,35-36H,9-10,23-24H2/p+2","SSYLZSFCNUGCEN-UHFFFAOYSA-P",null,410]
["D16855",25719,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50054096","[NH2+]=c1ccn(Cc2ccc(Cc3ccc(Cn4ccc(=[NH2+])c5ccccc45)cc3)cc2)c2ccccc12","InChI=1S/C33H28N4/c34-30-17-19-36(32-7-3-1-5-28(30)32)22-26-13-9-24(10-14-26)21-25-11-15-27(16-12-25)23-37-20-18-31(35)29-6-2-4-8-33(29)37/h1-20,34-35H,21-23H2/p+2","YEQQDIAUPMSMFF-UHFFFAOYSA-P",null,450]
["D16856",25703,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50054105","[NH2+]=c1ccn(Cc2ccc(\\C=C/c3ccc(Cn4ccc(=[NH2+])c5ccccc45)cc3)cc2)c2ccccc12","InChI=1S/C34H28N4/c35-31-19-21-37(33-7-3-1-5-29(31)33)23-27-15-11-25(12-16-27)9-10-26-13-17-28(18-14-26)24-38-22-20-32(36)30-6-2-4-8-34(30)38/h1-22,35-36H,23-24H2/p+2/b10-9-,35-31?,36-32?","VERLYKWASWBHLC-PBPHPUJQSA-P",null,190]
["D16857",25713,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50054103","[NH2+]=c1ccn(Cc2ccc(cc2)-c2ccc(Cn3ccc(=[NH2+])c4ccccc34)cc2)c2ccccc12","InChI=1S/C32H26N4/c33-29-17-19-35(31-7-3-1-5-27(29)31)21-23-9-13-25(14-10-23)26-15-11-24(12-16-26)22-36-20-18-30(34)28-6-2-4-8-32(28)36/h1-20,33-34H,21-22H2/p+2","BJOSVLNMVXPCHZ-UHFFFAOYSA-P",null,380]
["D16858",25711,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50084846","[NH2+]=c1ccn(Cc2ccc-3c(Cc4cc(Cn5ccc(=[NH2+])c6ccccc56)ccc-34)c2)c2ccccc12","InChI=1S/C33H26N4/c34-30-13-15-36(32-7-3-1-5-28(30)32)20-22-9-11-26-24(17-22)19-25-18-23(10-12-27(25)26)21-37-16-14-31(35)29-6-2-4-8-33(29)37/h1-18,34-35H,19-21H2/p+2","USOMLPZSQWAHIS-UHFFFAOYSA-P",null,310]
["D16859",25710,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50054098","[NH2+]=c1ccn(Cc2cccc(c2)-c2cccc(Cn3ccc(=[NH2+])c4ccccc34)c2)c2ccccc12","InChI=1S/C32H26N4/c33-29-15-17-35(31-13-3-1-11-27(29)31)21-23-7-5-9-25(19-23)26-10-6-8-24(20-26)22-36-18-16-30(34)28-12-2-4-14-32(28)36/h1-20,33-34H,21-22H2/p+2","CKEYKKQODPYQPS-UHFFFAOYSA-P",null,290]
["D16860",31700,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50240455","[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(NC(=O)c2cc(NC(=O)Nc3cc(cc(c3)C(=O)Nc3ccc(cc3S([O-])(=O)=O)S([O-])(=O)=O)C(=O)Nc3ccc(cc3S([O-])(=O)=O)S([O-])(=O)=O)cc(c2)C(=O)Nc2ccc(cc2S([O-])(=O)=O)S([O-])(=O)=O)c(c1)S([O-])(=O)=O","InChI=1S/C41H32N6O29S8/c48-37(44-29-5-1-25(77(53,54)55)15-33(29)81(65,66)67)19-9-20(38(49)45-30-6-2-26(78(56,57)58)16-34(30)82(68,69)70)12-23(11-19)42-41(52)43-24-13-21(39(50)46-31-7-3-27(79(59,60)61)17-35(31)83(71,72)73)10-22(14-24)40(51)47-32-8-4-28(80(62,63)64)18-36(32)84(74,75)76/h1-18H,(H,44,48)(H,45,49)(H,46,50)(H,47,51)(H2,42,43,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)/p-8","FXAIVMYRMNONEG-UHFFFAOYSA-F",null,7900]
["D16861",18595,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Ryanodine receptor 1","Oryctolagus cuniculus","BDM50292367","[O-]S(=O)(=O)Oc1c(Br)cc2CCNC(=O)C(Cc3ccc(Oc4cc(CC(N=O)C(=O)NC=Cc5ccc(Oc1c2)c(Br)c5)cc(Br)c4OS([O-])(=O)=O)c(Br)c3)N=O","InChI=1S/C34H26Br4N4O14S2/c35-21-9-17-1-3-27(21)53-29-15-19(11-23(37)31(29)55-57(47,48)49)6-8-40-33(43)25(41-45)13-18-2-4-28(22(36)10-18)54-30-16-20(12-24(38)32(30)56-58(50,51)52)14-26(42-46)34(44)39-7-5-17/h1-5,7,9-12,15-16,25-26H,6,8,13-14H2,(H,39,44)(H,40,43)(H,47,48,49)(H,50,51,52)/p-2","CEGDQLZCWLTIMH-UHFFFAOYSA-L",{"$nulls":3},13600]
["D16862",31875,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50118228","[O-]S(=O)(=O)c1cc(c2c(NC(=O)c3cccc(NC(=O)Nc4cccc(c4)C(=O)Nc4ccc(c5cc(cc(c45)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c3)ccc(c2c1)S([O-])(=O)=O)S([O-])(=O)=O","InChI=1S/C35H26N4O21S6/c40-33(38-25-7-9-27(63(49,50)51)23-13-21(61(43,44)45)15-29(31(23)25)65(55,56)57)17-3-1-5-19(11-17)36-35(42)37-20-6-2-4-18(12-20)34(41)39-26-8-10-28(64(52,53)54)24-14-22(62(46,47)48)16-30(32(24)26)66(58,59)60/h1-16H,(H,38,40)(H,39,41)(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)/p-6","JMONOAYAUIIKMS-UHFFFAOYSA-H",null,33200]
["D16863",3857,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM48011","[O-][N+](=O)\\C=C\\c1ccc2n(Cc3ccccc3)ccc2c1","InChI=1S/C17H14N2O2/c20-19(21)11-8-14-6-7-17-16(12-14)9-10-18(17)13-15-4-2-1-3-5-15/h1-12H,13H2/b11-8+","PWAJOQMAZBVOOC-DHZHZOJOSA-N",{"$nulls":3},12280]
["D16864",4315,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66413","[O-][N+](=O)\\C=C\\c1cn(Cc2ccc(Cl)cc2)c2ccccc12","InChI=1S/C17H13ClN2O2/c18-15-7-5-13(6-8-15)11-19-12-14(9-10-20(21)22)16-3-1-2-4-17(16)19/h1-10,12H,11H2/b10-9+","XTVWWLOLKMTJML-MDZDMXLPSA-N",{"$nulls":3},21590]
["D16865",12310,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM4726","[O-][N+](=O)c1cc(NC(=O)CSc2nc(cc(n2)C(F)(F)F)-c2cccs2)cc(OCC(F)(F)C(F)F)c1","InChI=1S/C20H13F7N4O4S2/c21-17(22)19(23,24)9-35-12-5-10(4-11(6-12)31(33)34)28-16(32)8-37-18-29-13(14-2-1-3-36-14)7-15(30-18)20(25,26)27/h1-7,17H,8-9H2,(H,28,32)","XJXAIYFFJNCVCF-UHFFFAOYSA-N",null,">35867"]
["D16866",4550,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66504","[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)N(CC(=O)NCCc1ccccc1)c1ccc(Br)cc1","InChI=1S/C22H19BrClN3O5S/c23-17-6-8-18(9-7-17)26(15-22(28)25-13-12-16-4-2-1-3-5-16)33(31,32)19-10-11-20(24)21(14-19)27(29)30/h1-11,14H,12-13,15H2,(H,25,28)","IPZYOBLSDLFZRB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16867",12225,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87316","[O-][N+](=O)c1cc(ccc1N1CCCCCC1)C(=O)NCCCn1ccnc1","InChI=1S/C19H25N5O3/c25-19(21-8-5-10-22-13-9-20-15-22)16-6-7-17(18(14-16)24(26)27)23-11-3-1-2-4-12-23/h6-7,9,13-15H,1-5,8,10-12H2,(H,21,25)","RYXNDSRZZGWNBY-UHFFFAOYSA-N",null,10472]
["D16868",4310,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66408","[O-][N+](=O)c1cc(ccc1NCCCNC(=O)c1ccc(F)cc1)C(F)(F)F","InChI=1S/C17H15F4N3O3/c18-13-5-2-11(3-6-13)16(25)23-9-1-8-22-14-7-4-12(17(19,20)21)10-15(14)24(26)27/h2-7,10,22H,1,8-9H2,(H,23,25)","KFIBMBAWEJGQRA-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16869",4441,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66351","[O-][N+](=O)c1cc(ccc1S(=O)CC(=O)Oc1ccccc1)C(F)(F)F","InChI=1S/C15H10F3NO5S/c16-15(17,18)10-6-7-13(12(8-10)19(21)22)25(23)9-14(20)24-11-4-2-1-3-5-11/h1-8H,9H2","DWRLEMDHSFGCKK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16870",11758,"7nxa_C",0.5,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDM25468","[O-][N+](=O)c1cc2C(=O)c3cc(F)ccc3-c2cc1F","InChI=1S/C13H5F2NO3/c14-6-1-2-7-8-4-11(15)12(16(18)19)5-10(8)13(17)9(7)3-6/h1-5H","DYURKAXDBWRFLK-UHFFFAOYSA-N",null,null,44590,{"$nulls":3},7.5,"30.00 C"]
["D16871",11757,"7nxa_C",0.5,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDM25467","[O-][N+](=O)c1cc2C(=O)c3ccccc3-c2c(c1)[N+]([O-])=O","InChI=1S/C13H6N2O5/c16-13-9-4-2-1-3-8(9)12-10(13)5-7(14(17)18)6-11(12)15(19)20/h1-6H","HUNDKIPOXXHMOS-UHFFFAOYSA-N",null,null,48110,{"$nulls":3},7.5,"30.00 C"]
["D16872",11752,"7nxa_C",0.5,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDM25462","[O-][N+](=O)c1cc2C(=O)c3ccccc3-c2cc1[N+]([O-])=O","InChI=1S/C13H6N2O5/c16-13-8-4-2-1-3-7(8)9-5-11(14(17)18)12(15(19)20)6-10(9)13/h1-6H","BTCGQAJWZRCLRP-UHFFFAOYSA-N",null,null,37110,{"$nulls":3},7.5,"30.00 C"]
["D16873",4455,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66430","[O-][N+](=O)c1ccc(CN2CCOCCOCCOCC2)cc1","InChI=1S/C15H22N2O5/c18-17(19)15-3-1-14(2-4-15)13-16-5-7-20-9-11-22-12-10-21-8-6-16/h1-4H,5-13H2","ADVUCUCSVSOBQR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16874",28469,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50275908","[O-][N+](=O)c1ccc(CNc2cc(Cl)nc3ccnn23)cc1","InChI=1S/C13H10ClN5O2/c14-11-7-13(18-12(17-11)5-6-16-18)15-8-9-1-3-10(4-2-9)19(20)21/h1-7,15H,8H2","ZGQJODSAGCOFGG-UHFFFAOYSA-N",null,">30000"]
["D16875",4771,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66691","[O-][N+](=O)c1ccc(CP(=O)(c2ccccc2)c2ccccc2)cc1","InChI=1S/C19H16NO3P/c21-20(22)17-13-11-16(12-14-17)15-24(23,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15H2","PDLOJWJECCSQBS-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16876",12067,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM44529","[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc1cccc2CCCCc12","InChI=1S/C17H15ClN2O3/c18-15-9-8-12(20(22)23)10-14(15)17(21)19-16-7-3-5-11-4-1-2-6-13(11)16/h3,5,7-10H,1-2,4,6H2,(H,19,21)","DEQSXHIQOSMESJ-UHFFFAOYSA-N",null,3472]
["D16877",12131,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87270","[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc1ccccc1Oc1ccccc1","InChI=1S/C19H13ClN2O4/c20-16-11-10-13(22(24)25)12-15(16)19(23)21-17-8-4-5-9-18(17)26-14-6-2-1-3-7-14/h1-12H,(H,21,23)","UUHNXOUEZWLGNL-UHFFFAOYSA-N",null,5445]
["D16878",4498,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66465","[O-][N+](=O)c1ccc(N2CCCC2)c(F)c1Br","InChI=1S/C10H10BrFN2O2/c11-9-7(14(15)16)3-4-8(10(9)12)13-5-1-2-6-13/h3-4H,1-2,5-6H2","ODLITIUMOYSJHC-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16879",4578,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66529","[O-][N+](=O)c1ccc(NC(=O)C(Cc2ccccc2)N2C(=O)c3cccc4cccc(C2=O)c34)cc1","InChI=1S/C27H19N3O5/c31-25(28-19-12-14-20(15-13-19)30(34)35)23(16-17-6-2-1-3-7-17)29-26(32)21-10-4-8-18-9-5-11-22(24(18)21)27(29)33/h1-15,23H,16H2,(H,28,31)","PEJQYTXOBPSDST-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16880",11849,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM43001","[O-][N+](=O)c1ccc(NC(=O)C(\\NC(=O)C2CCCCC2)=C\\c2cccc(c2)[N+]([O-])=O)cc1","InChI=1S/C22H22N4O6/c27-21(16-6-2-1-3-7-16)24-20(14-15-5-4-8-19(13-15)26(31)32)22(28)23-17-9-11-18(12-10-17)25(29)30/h4-5,8-14,16H,1-3,6-7H2,(H,23,28)(H,24,27)/b20-14-","VISMZGCRWFLWBH-ZHZULCJRSA-N",{"$nulls":3},">79370"]
["D16881",4328,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66421","[O-][N+](=O)c1ccc(NC(=O)c2[nH]cnc2C(=O)NC2CCCCC2)cc1","InChI=1S/C17H19N5O4/c23-16(20-11-4-2-1-3-5-11)14-15(19-10-18-14)17(24)21-12-6-8-13(9-7-12)22(25)26/h6-11H,1-5H2,(H,18,19)(H,20,23)(H,21,24)","ZEOLQVBAXYCROP-UHFFFAOYSA-N",{"$nulls":3},55300]
["D16882",4326,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66420","[O-][N+](=O)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2cccc(Br)c2)nc1","InChI=1S/C21H13BrN4O3/c22-14-5-3-4-13(10-14)19-11-17(16-6-1-2-7-18(16)24-19)21(27)25-20-9-8-15(12-23-20)26(28)29/h1-12H,(H,23,25,27)","XNYZXGUPSDYLQR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16883",11755,"7nxa_C",0.5,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDM25469","[O-][N+](=O)c1ccc(Sc2cccc[n+]2[O-])c2nonc12","InChI=1S/C11H6N4O4S/c16-14-6-2-1-3-9(14)20-8-5-4-7(15(17)18)10-11(8)13-19-12-10/h1-6H","ICCFXXDUYSPKOL-UHFFFAOYSA-N",null,null,19510,{"$nulls":3},7.5,"30.00 C"]
["D16884",13477,"6zfo_A",0.4,"Spike glycoprotein","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDM19229721","[O-][N+](=O)c1ccc(Sc2cccc[n+]2[O-])c2nonc13","InChI=1S/C11H6N4O4S/c16-14-6-2-1-3-9(14)20-8-5-4-7(15(17)18)10-11(8)13-19-12-10/h1-6H","ICCFXXDUYSPKOL-UHFFFAOYSA-N",null,null,33528.4273960105,{"$nulls":3},6.73720782375405,"30.00 C"]
["D16885",3961,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66868","[O-][N+](=O)c1ccc(\\C=C(/NC(=O)c2ccco2)C(=O)NCc2ccco2)cc1","InChI=1S/C19H15N3O6/c23-18(20-12-15-3-1-9-27-15)16(21-19(24)17-4-2-10-28-17)11-13-5-7-14(8-6-13)22(25)26/h1-11H,12H2,(H,20,23)(H,21,24)/b16-11-","KYSCXTOUWVLXCF-WJDWOHSUSA-N",{"$nulls":3},">350000"]
["D16886",12296,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87293","[O-][N+](=O)c1ccc(\\C=N/NC(=O)C2COc3ccccc3O2)o1","InChI=1S/C14H11N3O6/c18-14(12-8-21-10-3-1-2-4-11(10)23-12)16-15-7-9-5-6-13(22-9)17(19)20/h1-7,12H,8H2,(H,16,18)/b15-7-","YLPYHIGTTGYBFP-CHHVJCJISA-N",null,">35863"]
["D16887",12132,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87278","[O-][N+](=O)c1ccc(\\C=N/NC(=O)c2cncc(Br)c2)s1","InChI=1S/C11H7BrN4O3S/c12-8-3-7(4-13-5-8)11(17)15-14-6-9-1-2-10(20-9)16(18)19/h1-6H,(H,15,17)/b14-6-","YEDSXCJEAFAHKT-NSIKDUERSA-N",null,5460]
["D16888",12234,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87296","[O-][N+](=O)c1ccc(\\C=N\\NC(=O)CNc2cccc(c2)[N+]([O-])=O)o1","InChI=1S/C13H11N5O6/c19-12(8-14-9-2-1-3-10(6-9)17(20)21)16-15-7-11-4-5-13(24-11)18(22)23/h1-7,14H,8H2,(H,16,19)/b15-7+","OTCNRYJGZMAWRN-VIZOYTHASA-N",null,11195]
["D16889",4470,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66441","[O-][N+](=O)c1ccc(cc1)C(=O)CSc1nc2ncc(Br)cc2[nH]1","InChI=1S/C14H9BrN4O3S/c15-9-5-11-13(16-6-9)18-14(17-11)23-7-12(20)8-1-3-10(4-2-8)19(21)22/h1-6H,7H2,(H,16,17,18)","JTDUJCBLKYLXGY-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16890",32289,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Aldo-keto reductase family 1 member C4 (AK1C4)","Homo sapiens","BDBM50446024","[O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)N1CCOCC1","InChI=1S/C15H20N4O4/c20-15(18-9-11-23-12-10-18)17-7-5-16(6-8-17)13-1-3-14(4-2-13)19(21)22/h1-4H,5-12H2","QBXDVYMXHRSGQQ-UHFFFAOYSA-N",null,">30000"]
["D16891",4028,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66929","[O-][N+](=O)c1ccc(cc1)S(=O)(=O)N[N-][CH+]c1ccsc1","InChI=1S/C11H9N3O4S2/c15-14(16)10-1-3-11(4-2-10)20(17,18)13-12-7-9-5-6-19-8-9/h1-8,13H","JOBYFKGRQHCJLQ-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16892",4054,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66949","[O-][N+](=O)c1ccc(o1)C(=O)\\C=C\\c1ccc(Cl)cc1","InChI=1S/C13H8ClNO4/c14-10-4-1-9(2-5-10)3-6-11(16)12-7-8-13(19-12)15(17)18/h1-8H/b6-3+","BWHGGLUTDCVLQU-ZZXKWVIFSA-N",{"$nulls":3},">350000"]
["D16893",4053,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM58860","[O-][N+](=O)c1ccc(o1)C(=O)\\C=C\\c1cccc(Cl)c1","InChI=1S/C13H8ClNO4/c14-10-3-1-2-9(8-10)4-5-11(16)12-6-7-13(19-12)15(17)18/h1-8H/b5-4+","NBKADWBGVUKBCO-SNAWJCMRSA-N",{"$nulls":3},">350000"]
["D16894",11759,"7nxa_C",0.5,"Spike protein S1","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDM22858","[O-][N+](=O)c1ccc-2c(c1)C(=O)C(=O)c1ccccc-21","InChI=1S/C14H7NO4/c16-13-11-4-2-1-3-9(11)10-6-5-8(15(18)19)7-12(10)14(13)17/h1-7H","KNAXWOBOCVVMST-UHFFFAOYSA-N",null,null,6810,{"$nulls":3},7.5,"30.00 C"]
["D16895",13481,"6zfo_A",0.4,"Spike glycoprotein","Adenosine 5'-phosphosulfate reductase","Mycobacterium tuberculosis","BDM19230502","[O-][N+](=O)c1ccc-2c(c1)C(=O)C(=O)c1ccccc-22","InChI=1S/C14H7NO4/c16-13-11-4-2-1-3-9(11)10-6-5-8(15(18)19)7-12(10)14(13)17/h1-7H","KNAXWOBOCVVMST-UHFFFAOYSA-N",null,null,33530.9653527925,{"$nulls":3},6.73720958924142,"30.00 C"]
["D16896",4512,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM48754","[O-][N+](=O)c1ccc2[N-]C(=O)\\C(=[NH+]/NC(=O)c3cc(nc4ccccc34)-c3ccccc3Cl)c2c1","InChI=1S/C24H14ClN5O4/c25-18-7-3-1-6-15(18)21-12-16(14-5-2-4-8-19(14)26-21)23(31)29-28-22-17-11-13(30(33)34)9-10-20(17)27-24(22)32/h1-12H,(H2,26,27,28,29,31,32)","BBZNQKSCTMHRIP-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16897",12199,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM6565","[O-][N+](=O)c1ccc2[nH]c3c(CCNC3=O)c2c1","InChI=1S/C11H9N3O3/c15-11-10-7(3-4-12-11)8-5-6(14(16)17)1-2-9(8)13-10/h1-2,5,13H,3-4H2,(H,12,15)","OGWVNBMJFPRUIP-UHFFFAOYSA-N",null,8252]
["D16898",4137,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67023","[O-][N+](=O)c1cccc(CC(=O)Nc2cccc(c2)C(=O)N2CCOCC2)c1","InChI=1S/C19H19N3O5/c23-18(12-14-3-1-6-17(11-14)22(25)26)20-16-5-2-4-15(13-16)19(24)21-7-9-27-10-8-21/h1-6,11,13H,7-10,12H2,(H,20,23)","SBJMMYBOFODSAO-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16899",28451,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50275853","[O-][N+](=O)c1cccc(CNc2cc(Cl)nc3ccnn23)c1","InChI=1S/C13H10ClN5O2/c14-11-7-13(18-12(17-11)4-5-16-18)15-8-9-2-1-3-10(6-9)19(20)21/h1-7,15H,8H2","BABCZCBPNBSAQA-UHFFFAOYSA-N",null,7900]
["D16900",4016,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66918","[O-][N+](=O)c1cccc(NC(=O)Nc2ccc3CCCc3c2)c1","InChI=1S/C16H15N3O3/c20-16(17-13-5-2-6-15(10-13)19(21)22)18-14-8-7-11-3-1-4-12(11)9-14/h2,5-10H,1,3-4H2,(H2,17,18,20)","DTEWCMYGXOZQQX-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16901",4703,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66632","[O-][N+](=O)c1cccc(\\C=N\\NC(=O)C2CCCNC2=O)c1","InChI=1S/C13H14N4O4/c18-12-11(5-2-6-14-12)13(19)16-15-8-9-3-1-4-10(7-9)17(20)21/h1,3-4,7-8,11H,2,5-6H2,(H,14,18)(H,16,19)/b15-8+","HYDVGLHZTPKMFG-OVCLIPMQSA-N",{"$nulls":3},">350000"]
["D16902",4711,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66640","[O-][N+](=O)c1cccc(c1)C(=O)C1C(N(Cc2ccco2)C(=O)C1=O)c1cccs1","InChI=1S/C20H14N2O6S/c23-18(12-4-1-5-13(10-12)22(26)27)16-17(15-7-3-9-29-15)21(20(25)19(16)24)11-14-6-2-8-28-14/h1-10,16-17H,11H2","ZRMNIEZDAHTATG-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16903",12192,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM87338","[O-][N+](=O)c1cccc2c1ccc1ncccc21","InChI=1S/C13H8N2O2/c16-15(17)13-5-1-3-9-10-4-2-8-14-12(10)7-6-11(9)13/h1-8H","VAXVWLQKOFVEEX-UHFFFAOYSA-N",null,8072]
["D16904",4500,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66467","[O-][N+](=O)c1ccccc1C(=O)N[N-][CH+]c1ccc(o1)N1CCCCC1","InChI=1S/C17H18N4O4/c22-17(14-6-2-3-7-15(14)21(23)24)19-18-12-13-8-9-16(25-13)20-10-4-1-5-11-20/h2-3,6-9,12H,1,4-5,10-11H2,(H,19,22)","AUBLAYUXVWSLCR-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16905",12118,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM6450","[O-][N+](=O)c1ccccc1C(=O)Nc1ccncc1","InChI=1S/C12H9N3O3/c16-12(14-9-5-7-13-8-6-9)10-3-1-2-4-11(10)15(17)18/h1-8H,(H,13,14,16)","OVXOOHFWTAEGEE-UHFFFAOYSA-N",null,4771]
["D16906",4526,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM66484","[O-][N+](=O)c1ccccc1CC(=O)OCC(=O)NCc1ccc(Cl)cc1","InChI=1S/C17H15ClN2O5/c18-14-7-5-12(6-8-14)10-19-16(21)11-25-17(22)9-13-3-1-2-4-15(13)20(23)24/h1-8H,9-11H2,(H,19,21)","ZFUVSDMWGDYAKP-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16907",4568,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM55710","[O-][N+](=O)c1ccccc1OCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1","InChI=1S/C23H17N3O6/c27-22(14-31-20-8-4-2-6-18(20)26(29)30)24-16-9-11-17(12-10-16)25-23(28)21-13-15-5-1-3-7-19(15)32-21/h1-13H,14H2,(H,24,27)(H,25,28)","SXXAYTQHQZVLNY-UHFFFAOYSA-N",{"$nulls":3},27450]
["D16908",4144,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67030","[O-][N+](=O)c1ccccc1S(=O)(=O)N1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1","InChI=1S/C18H19N3O8S2/c22-21(23)15-3-1-2-4-18(15)31(26,27)20-9-7-19(8-10-20)30(24,25)14-5-6-16-17(13-14)29-12-11-28-16/h1-6,13H,7-12H2","QXQZYSGHLQEFCB-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16909",17552,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM277804","[O-][S+]1CC[C@@H](CC1)Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1","InChI=1S/C28H31N7O3S/c29-16-21-15-20(1-6-26(21)38-25-7-13-39(36)14-8-25)27-30-19-31-28(33-27)32-22-2-4-23(5-3-22)34-9-11-35(12-10-34)24-17-37-18-24/h1-6,15,19,24-25H,7-14,17-18H2,(H,30,31,32,33)/t25-,39?","KVIOQEZGURPUCC-WWJXCVNSSA-N",null,6000,{"$nulls":4},7]
["D16910",32185,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Signal transducer and activator of transcription 1-alpha/beta","Homo sapiens","BDBM43624","[O-][n+]1ccc(cc1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccccc1Cl","InChI=1S/C23H18ClN3O2/c24-19-7-3-1-6-18(19)22-21-17(16-5-2-4-8-20(16)25-21)11-14-27(22)23(28)15-9-12-26(29)13-10-15/h1-10,12-13,22,25H,11,14H2","NXCFDEABUNVVHZ-UHFFFAOYSA-N",{"$nulls":3},">55700"]
["D16911",4167,"7e7b_A",0.5,"Spike glycoprotein, Collagen alpha-1(l) chain","Bcl-2-like protein 11","Homo sapiens","BDBM67051","[O-][n+]1ccccc1SCC(=O)NC1CCCCC1","InChI=1S/C13H18N2O2S/c16-12(14-11-6-2-1-3-7-11)10-18-13-8-4-5-9-15(13)17/h4-5,8-9,11H,1-3,6-7,10H2,(H,14,16)","GMLXBJTWFNRQAK-UHFFFAOYSA-N",{"$nulls":3},">350000"]
["D16912",25762,"6m1v_A",0.6,"Spike protein S2,Spike protein S2","Small conductance calcium-activated potassium channel","Rattus norvegicus","BDBM50470380","[O-]c1cc[n+](CCCCCCCCCC[n+]2ccc([O-])c3ccccc23)c2ccccc12","InChI=1S/C28H32N2O2/c31-27-17-21-29(25-15-9-7-13-23(25)27)19-11-5-3-1-2-4-6-12-20-30-22-18-28(32)24-14-8-10-16-26(24)30/h7-10,13-18,21-22H,1-6,11-12,19-20H2","FREREHUYTIRPOQ-UHFFFAOYSA-N",null,">10000"]
["D16913",16952,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM331159","c1[nH]c2cnccc2c1-c1c[nH]c2ncccc12","InChI=1S/C14H10N4/c1-2-10-12(7-18-14(10)16-4-1)11-6-17-13-8-15-5-3-9(11)13/h1-8,17H,(H,16,18)","AGWCRZIQRIJNAL-UHFFFAOYSA-N",null,"<1000"]
["D16914",17536,"6lxt_A",0.3,"Spike protein S2, Spike protein S2","Serine/threonine-protein kinase TBK1","Homo sapiens","BDM331153","c1[nH]c2ncccc2c1-c1cccc2cnccc12","InChI=1S/C16H11N3/c1-3-11-9-17-8-6-12(11)13(4-1)15-10-19-16-14(15)5-2-7-18-16/h1-10H,(H,18,19)","AIWIQFCKRNVZDW-UHFFFAOYSA-N",null,5500]
["D16915",31708,"7c53_A",0.3,"Spike protein S2',pan-CoVs inhibitor EK1","Transcription Factor STAT1","Homo sapiens","BDBM50396176","c1cc2nc1cc1ccc([nH]1)c(-c1ccccc1)c1ccc(cc3ccc(n3)c2-c2ccccc2)[nH]1","InChI=1S/C32H22N4/c1-3-7-21(8-4-1)31-27-15-11-23(33-27)19-25-13-17-29(35-25)32(22-9-5-2-6-10-22)30-18-14-26(36-30)20-24-12-16-28(31)34-24/h1-20,33-34H/b23-19-,24-20-,25-19-,26-20-,31-27-,31-28-,32-29-,32-30-","SNBDBNVIFRNZSS-DUVOQLPESA-N",null,10000]
["D16916",12204,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM39025","c1ccc(nc1)-c1noc(n1)-c1ccc2ccccc2c1","InChI=1S/C17H11N3O/c1-2-6-13-11-14(9-8-12(13)5-1)17-19-16(20-21-17)15-7-3-4-10-18-15/h1-11H","POAKEIXFPDIYHH-UHFFFAOYSA-N",null,8619]
["D16917",12380,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM34269","c1coc(c1)-c1nc2c3cnn(-c4ccccc4)c3ncn2n1","InChI=1S/C16H10N6O/c1-2-5-11(6-3-1)22-15-12(9-18-22)16-19-14(13-7-4-8-23-13)20-21(16)10-17-15/h1-10H","LOZLCYKNQREUGG-UHFFFAOYSA-N",{"$nulls":3},">79370"]
["D16918",28467,"7m7w_I",0.3,"Spike protein S1","Small conductance calcium-activated potassium channel protein 3 (KCa2.3)","Homo sapiens","BDBM50264075","c1sc(nc1-c1ccccn1)-c1ccccn1","InChI=1S/C13H9N3S/c1-3-7-14-10(5-1)12-9-17-13(16-12)11-6-2-4-8-15-11/h1-9H","AQRRBNTVDFDFLM-UHFFFAOYSA-N",null,">30000"]
["D16919",12110,"7nxa_C",0.5,"Spike protein S1","Nuclear receptor coactivator 3","Homo sapiens","BDM5212","c1scc2c1ncc1cnccc21","InChI=1S/C10H6N2S/c1-2-11-3-7-4-12-10-6-13-5-9(10)8(1)7/h1-6H","OHDFAXVXAMAICU-UHFFFAOYSA-N",null,4510]

{"sheet":"similarity bm-sm","index":2,"n_rows":125,"n_cols":5,"rows_kept":125}
["Table S3. Result of tanimoto similarity between binding molecules and secondary metabolites"]
[null,"DrugID","MetaID","SI","Tanimoto"]
[1,"D10198","C00027898",0.4,1]
[2,"D10243","C00003684",0.5,1]
[3,"D10244","C00003683",0.5,1]
[4,"D10253","C00043907",0.6,1]
[5,"D10253","C00049768",0.6,1]
[6,"D10399","C00023582",0.6,1]
[7,"D10444","C00001661",0.3,1]
[8,"D10494","C00039556",0.3,0.87879]
[9,"D10615","C00027845",0.4,0.91398]
[10,"D10615","C00031597",0.4,1]
[11,"D10626","C00036672",0.3,0.86154]
[12,"D10627","C00001661",0.3,1]
[13,"D10631","C00015518",0.6,0.86364]
[14,"D10739","C00039897",0.5,0.88]
[15,"D10747","C00001661",0.3,0.8806]
[16,"D10970","C00035257",0.5,1]
[17,"D11052","C00051813",0.5,1]
[18,"D11193","C00039557",0.3,1]
[19,"D11194","C00034686",0.3,1]
[20,"D11194","C00039673",0.3,0.94]
[21,"D11207","C00031853",0.5,0.95833]
[22,"D11208","C00034686",0.3,0.94]
[23,"D11208","C00034685",0.3,0.88571]
[24,"D11208","C00039673",0.3,1]
[25,"D11213","C00003375",0.6,1]
[26,"D11213","C00020715",0.6,0.98529]
[27,"D11256","C00000347",0.5,1]
[28,"D11256","C00001217",0.5,1]
[29,"D11256","C00001240",0.5,1]
[30,"D11256","C00001234",0.5,1]
[31,"D11256","C00001232",0.5,1]
[32,"D11256","C00001229",0.5,0.91667]
[33,"D11256","C00001235",0.5,1]
[34,"D11256","C00001224",0.5,0.88462]
[35,"D11256","C00007424",0.5,0.91667]
[36,"D11256","C00029354",0.5,1]
[37,"D11256","C00035628",0.5,1]
[38,"D11256","C00036669",0.5,0.88462]
[39,"D11256","C00050972",0.5,1]
[40,"D11292","C00018679",0.3,1]
[41,"D11293","C00018679",0.3,1]
[42,"D11765","C00028778",0.4,1]
[43,"D11776","C00027846",0.4,0.89362]
[44,"D11776","C00027845",0.4,1]
[45,"D11776","C00031597",0.4,0.91398]
[46,"D11776","C00046254",0.4,0.91489]
[47,"D11782","C00015518",0.6,1]
[48,"D11783","C00016540",0.6,0.86408]
[49,"D11796","C00001849",0.5,1]
[50,"D11796","C00001835",0.5,0.89091]
[51,"D11796","C00027384",0.5,0.89091]
[52,"D11796","C00027245",0.5,0.85714]
[53,"D11796","C00038322",0.5,0.89091]
[54,"D11796","C00044486",0.5,0.89091]
[55,"D11796","C00051992",0.5,0.85455]
[56,"D11800","C00000446",0.3,1]
[57,"D11800","C00000218",0.3,1]
[58,"D11800","C00049053",0.3,1]
[59,"D12280","C00015601",0.4,1]
[60,"D12311","C00017543",0.6,0.88235]
[61,"D12311","C00018127",0.6,1]
[62,"D12311","C00027661",0.6,0.85507]
[63,"D12313","C00027138",0.5,1]
[64,"D12428","C00017790",0.3,0.85714]
[65,"D12428","C00017726",0.3,1]
[66,"D12434","C00038270",0.3,1]
[67,"D12615","C00001099",0.5,0.85714]
[68,"D12615","C00003923",0.5,0.89744]
[69,"D12740","C00033297",0.6,0.88571]
[70,"D12740","C00037023",0.6,0.88571]
[71,"D12837","C00001884",0.6,0.94366]
[72,"D12837","C00001927",0.6,1]
[73,"D12837","C00028699",0.6,0.86301]
[74,"D12845","C00015542",0.5,1]
[75,"D13216","C00001737",0.5,1]
[76,"D13227","C00030512",0.3,1]
[77,"D13556","C00000797",0.5,1]
[78,"D13700","C00003218",0.5,1]
[79,"D13700","C00021143",0.5,1]
[80,"D13704","C00003211",0.5,1]
[81,"D13704","C00003318",0.5,1]
[82,"D13704","C00021120",0.5,1]
[83,"D13704","C00021118",0.5,1]
[84,"D13707","C00003633",0.3,1]
[85,"D13972","C00032703",0.5,1]
[86,"D13982","C00003617",0.3,1]
[87,"D13983","C00003618",0.3,1]
[88,"D13986","C00011307",0.5,1]
[89,"D13991","C00032469",0.5,1]
[90,"D13993","C00010979",0.5,1]
[91,"D14005","C00039732",0.3,1]
[92,"D14570","C00001736",0.5,1]
[93,"D14869","C00001510",0.4,1]
[94,"D14956","C00001492",0.3,1]
[95,"D15804","C00001358",0.5,1]
[96,"D15804","C00019577",0.5,1]
[97,"D15834","C00000795",0.5,1]
[98,"D15836","C00007287",0.5,1]
[99,"D15847","C00001391",0.5,1]
[100,"D15861","C00001358",0.5,1]
[101,"D15861","C00019577",0.5,1]
[102,"D15930","C00042440",0.5,1]
[103,"D16218","C00032054",0.5,0.85]
[104,"D16291","C00026982",0.3,1]
[105,"D16690","C00002035",0.3,1]
[106,"D16690","C00029420",0.3,1]
[107,"D16690","C00036384",0.3,0.85714]
[109,"D16743","C00029799",0.3,0.91803]
[110,"D16743","C00029792",0.3,0.89231]
[111,"D16743","C00029796",0.3,1]
[112,"D16743","C00038582",0.3,0.91935]
[113,"D16771","C00000958",0.3,1]
[114,"D16771","C00008866",0.3,0.85106]
[115,"D16771","C00008867",0.3,0.85106]
[116,"D16771","C00008883",0.3,0.85417]
[117,"D16771","C00008868",0.3,0.85106]
[118,"D16771","C00008882",0.3,1]
[119,"D16771","C00008888",0.3,0.87234]
[120,"D16771","C00008865",0.3,0.85106]
[121,"D16771","C00008889",0.3,0.87234]
[122,"D16790","C00002766",0.3,1]
[123,"D16791","C00006925",0.5,1]
[124,"D16791","C00035173",0.5,1]

{"sheet":"relational-data","index":3,"n_rows":127,"n_cols":21,"rows_kept":127}
["Table S4. Complete relational data of Spike–Binding Molecules–Secondary Metabolite interaction"]
[null,"DrugID","bnum","pcode","ptype","smile","cls","MetaID","Pth","Tanimoto","Name","Formula","Mw","CAS RN","InChIKey","InChICode","SMILES","Kingdom","Family","Species","Dock_Score"]
[0,"D10198",13486,"6zfo_A","Spike glycoprotein","CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O",2,"C00027898",0.4,1,"Argadin","C29H42N10O9",674.3136,"289665-92-5","FOZYKTUSOWWQGR-YBXWDSTFNA-N","InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1","N12[C@H](CCC1)C(=O)N[C@H]1C[C@H](N([C@H](C(=O)N[C@H](C(=O)N[C@H](C2=O)CCCNC(=N)NC(=O)C)CCCC(=O)O)Cc2cnc[nH]2)C1=O)O","Plantae","Euphorbiaceae","Clonostachys sp. FO-7314",-7.95346]
[1,"D10243",3863,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","CC(=O)OC(C)(C)\\C=C\\C(=O)C(C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(CC[C@@H](O)C4(C)C)[C@]3(CO)C(=O)C[C@]12C",1,"C00003684",0.5,1,"Cucurbitacin C","C32H48O8",560.3349,"5988-76-1","DGIGXLXLGBAJJN-KYGGLZRENA-N","InChI=1S/C32H48O8/c1-18(34)40-27(2,3)14-13-24(37)31(8,39)26-21(35)15-29(6)22-11-9-19-20(10-12-23(36)28(19,4)5)32(22,17-33)25(38)16-30(26,29)7/h9,13-14,20-23,26,33,35-36,39H,10-12,15-17H2,1-8H3/b14-13+/t20-,21-,22+,23+,26+,29+,30-,31+,32+/m1/s1","C1[C@@H](C(C2=CC[C@@H]3[C@]([C@@H]2C1)(C(=O)C[C@]1([C@]3(C[C@H]([C@@H]1[C@](C(=O)/C=C/C(C)(C)OC(=O)C)(O)C)O)C)C)CO)(C)C)O","Plantae","Cucurbitaceae","Cucumis sativus",-17.6917]
[2,"D10244",4171,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","CC(=O)OC(C)(C)\\C=C\\C(=O)[C@@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C",1,"C00003683",0.5,1,"Cucurbitacin B","C32H46O8",558.3193,"6199-67-3","IXQKXEUSCPEQRD-UQGYWOQJNA-N","InChI=1S/C32H46O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19-22,25,34-35,39H,11,14-16H2,1-9H3/b13-12+/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1","[C@H]1(C(=O)C(C2=CC[C@@H]3[C@]([C@@H]2C1)(C(=O)C[C@]1([C@]3(C[C@H]([C@@H]1[C@](C(=O)/C=C/C(C)(C)OC(=O)C)(O)C)O)C)C)C)(C)C)O","Plantae","Samydaceae","Casearia arborea",-17.6504]
[3,"D10253",25940,"6m1v_A","Spike protein S2,Spike protein S2","CC(=O)O[C@H]1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]2CC=C(C=O)[C@H](C=O)[C@@]12C",4,"C00043907",0.6,1,"Scalaradial(+)-Scalaradial","C27H40O4",428.2927,"53527-28-9","ADWFEADZGIHPDE-ISDUASGNNA-N","InChI=1S/C27H40O4/c1-17(30)31-23-14-22-25(4)12-7-11-24(2,3)20(25)10-13-26(22,5)21-9-8-18(15-28)19(16-29)27(21,23)6/h8,15-16,19-23H,7,9-14H2,1-6H3/t19-,20-,21-,22+,23-,25-,26-,27-/m0/s1","[C@]12([C@@H](CC=C([C@@H]1C=O)C=O)[C@]1([C@H](C[C@@H]2OC(=O)C)[C@@]2([C@@H](CC1)C(CCC2)(C)C)C)C)C","Animalia","Chromodorididae","Glossodoris rufomarginata",-7.92855]
[4,"D10253",25940,"6m1v_A","Spike protein S2,Spike protein S2","CC(=O)O[C@H]1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]2CC=C(C=O)[C@H](C=O)[C@@]12C",4,"C00049768",0.6,1,"12-epi-Scalaradial","C27H40O4",428.2927,"72300-72-2","ADWFEADZGIHPDE-HWRLPOOMNA-N","InChI=1S/C27H40O4/c1-17(30)31-23-14-22-25(4)12-7-11-24(2,3)20(25)10-13-26(22,5)21-9-8-18(15-28)19(16-29)27(21,23)6/h8,15-16,19-23H,7,9-14H2,1-6H3/t19-,20-,21-,22+,23+,25-,26-,27-/m0/s1","C1[C@]2([C@H](C(CC1)(C)C)CC[C@@]1([C@@H]2C[C@H]([C@@]2([C@H]1CC=C([C@@H]2C=O)C=O)C)OC(=O)C)C)C","-","-","Spongia agaricina",-7.89983]
[5,"D10399",25785,"6m1v_A","Spike protein S2,Spike protein S2","CC(C)(O)[C@H]1O[C@H]2CC[C@]3(C)[C@]4(C)[C@H](Cc5c4[nH]c4ccccc54)CC[C@@]3(O)C2=CC1=O",4,"C00023582",0.6,1,"Paxilline","C27H33NO4",435.241,"57186-25-1","ACNHBCIZLNNLRS-KNAWEKDSNA-N","InChI=1S/C27H33NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,21,23,28,30-31H,9-13H2,1-4H3/t15-,21-,23-,25+,26+,27+/m0/s1","c1ccc2c(c1)[nH]c1c2C[C@H]2[C@]1([C@@]1([C@@](CC2)(C2=CC(=O)[C@H](O[C@H]2CC1)C(C)(C)O)O)C)C","-","-","Emericella striata",-8.04875]
[8,"D10444",14391,"6lxt_A","Spike protein S2, Spike protein S2","CC(C)C1(O)C(OC(=O)c2ccc[nH]2)C2(O)C3(C)CC4(O)OC5(C(O)C(C)CCC35O)C2(O)C14C",4,"C00001661",0.3,1,"Ryanodine","C25H35NO9",493.2312,"15662-33-6","JJSYXNQGLHBRRK-CUAIRPEJNA-N","InChI=1S/C25H35NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-7,10,12-13,15,17,26-27,29-33H,8-9,11H2,1-5H3/t13-,15+,17+,18-,19-,20-,21-,22+,23+,24+,25+/m0/s1","[C@@]12([C@]34O[C@@]5([C@]1([C@@]([C@H]([C@]2([C@]([C@@]3(O)CC[C@@H]([C@H]4O)C)(C5)C)O)OC(=O)c1ccc[nH]1)(O)C(C)C)C)O)O","Plantae","Samydaceae","Ryania speciosa",-7.7319]
[9,"D10494",18547,"6lxt_A","Spike protein S2, Spike protein S2","CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(C)=O)[C@@H](C)O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2[C@H](O)CC[C@H](NC1=O)C2=O)C(C)C",4,"C00039556",0.3,0.878788,"Kempopeptin A","C50H70N8O13",990.5062,"1051915-45-7","YOOMLCVURCXLPN-MVEBNIJJNA-N","InChI=1S/C50H70N8O13/c1-9-27(4)40-45(65)51-34-21-22-38(62)58(48(34)68)37(25-31-14-11-10-12-15-31)49(69)56(8)36(24-32-17-19-33(61)20-18-32)44(64)52-39(26(2)3)50(70)71-29(6)42(47(67)53-40)55-46(66)41(28(5)59)54-43(63)35-16-13-23-57(35)30(7)60/h10-12,14-15,17-20,26-29,34-42,59,61-62H,9,13,16,21-25H2,1-8H3,(H,51,65)(H,52,64)(H,53,67)(H,54,63)(H,55,66)/t27-,28+,29+,34+,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1","C1C[C@@H](N2[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]1C2=O)[C@@H](C)CC)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C)[C@@H](C)O)C)C(C)C)Cc1ccc(cc1)O)C)Cc1ccccc1)O","-","-","Lyngbya sp.",-7.12915]
[12,"D10615",370,"6zp2_A","Spike glycoprotein","CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](CCCNC(N)=N)C(O)=O",1,"C00031597",0.4,1,"Anabaenopeptin B","C41H60N10O9",836.4545,"161897-74-1","ZDOVFDLIJJGVQM-DRXQOAHKNA-N","InChI=1S/C41H60N10O9/c1-24(2)33-37(56)46-30(20-17-26-15-18-28(52)19-16-26)38(57)51(4)25(3)34(53)47-32(23-27-11-6-5-7-12-27)35(54)44-21-9-8-13-29(36(55)50-33)48-41(60)49-31(39(58)59)14-10-22-45-40(42)43/h5-7,11-12,15-16,18-19,24-25,29-33,52H,8-10,13-14,17,20-23H2,1-4H3,(H,44,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H4,42,43,45)(H2,48,49,60)/t25-,29+,30-,31-,32-,33-/m0/s1","C1(=O)N([C@H](C(=O)N[C@H](C(=O)NCCCC[C@H](C(=O)N[C@H](C(=O)N[C@H]1CCc1ccc(cc1)O)C(C)C)NC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)Cc1ccccc1)C)C","-","-","Oscillatoria agardhii CYA128",-12.9268]
[11,"D10615",370,"6zp2_A","Spike glycoprotein","CC(C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](CCCNC(N)=N)C(O)=O",1,"C00027845",0.4,0.913978,"Anabaenopeptin F","C42H62N10O9",850.4701,"226416-60-0","RAUPUVQHUFXDQT-BLXFGVBLNA-N","InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31+,32+,33+,34-/m1/s1","[C@@H]1(C(=O)N[C@H](C(=O)NCCCC[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1C)CCc1ccc(cc1)O)[C@H](C)CC)NC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)Cc1ccccc1)C","-","-","Oscillatoria agardhii",-12.9232]
[13,"D10626",18576,"6lxt_A","Spike protein S2, Spike protein S2","CC(C)[C@@]1(O)[C@@H](OC(=O)c2ccc[nH]2)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)C6(CO6)CC[C@]35O)[C@@]2(O)[C@]14C",4,"C00036672",0.3,0.861538,"9-Hydroxy-10-epi-ryanodine9alpha-Hydroxy-10-epiryanodine","C25H35NO10",509.2261,"137844-84-9","REYPEWVSBJSDJC-OFOHABJSNA-N","InChI=1S/C25H35NO10/c1-12(2)22(32)16(35-14(27)13-7-6-10-26-13)23(33)18(4)11-21(31)19(22,5)25(23,34)24(36-21)15(28)17(3,29)8-9-20(18,24)30/h6-7,10,12,15-16,26,28-34H,8-9,11H2,1-5H3/t15-,16+,17+,18-,19-,20-,21-,22+,23+,24+,25+/m0/s1","[C@]12([C@]3([C@H]([C@@](CC1)(O)C)O)[C@@]1([C@@]4([C@@]2(C)C[C@](O3)([C@]1([C@]([C@H]4OC(=O)c1ccc[nH]1)(C(C)C)O)C)O)O)O)O","Plantae","Loganiaceae","Spigelia anthelmia",-7.93772]
[16,"D10627",18570,"6lxt_A","Spike protein S2, Spike protein S2","CC(C)[C@@]1(O)[C@@H](OC(=O)c2ccc[nH]2)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)[C@H](C)CC[C@]35O)[C@@]2(O)[C@]14C",4,"C00001661",0.3,1,"Ryanodine","C25H35NO9",493.2312,"15662-33-6","JJSYXNQGLHBRRK-CUAIRPEJNA-N","InChI=1S/C25H35NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-7,10,12-13,15,17,26-27,29-33H,8-9,11H2,1-5H3/t13-,15+,17+,18-,19-,20-,21-,22+,23+,24+,25+/m0/s1","[C@@]12([C@]34O[C@@]5([C@]1([C@@]([C@H]([C@]2([C@]([C@@]3(O)CC[C@@H]([C@H]4O)C)(C5)C)O)OC(=O)c1ccc[nH]1)(O)C(C)C)C)O)O","Plantae","Samydaceae","Ryania speciosa",-7.7319]
[18,"D10631",25788,"6m1v_A","Spike protein S2,Spike protein S2","CC(C)[C@H](N)C(=O)NS(=O)(=O)CC(=O)N[C@]1([C@@H](O)C[C@@H]2[C@H]1CN(C)C=C2C(N)=O)C(O)=O",4,"C00015518",0.6,0.863636,"SB 203207","C19H31N5O8S",489.1893,"277753-32-9","HDXFGBFIEQUETL-DSCOMPIGNA-N","InChI=1S/C19H31N5O8S/c1-4-9(2)15(20)17(28)23-33(31,32)8-14(26)22-19(18(29)30)12-7-24(3)6-11(16(21)27)10(12)5-13(19)25/h6,9-10,12-13,15,25H,4-5,7-8,20H2,1-3H3,(H2,21,27)(H,22,26)(H,23,28)(H,29,30)/t9-,10-,12+,13-,15-,19+/m0/s1","C1=C([C@H]2[C@@H](CN1C)[C@]([C@H](C2)O)(NC(=O)CS(=O)(=O)NC(=O)[C@H]([C@H](CC)C)N)C(=O)O)C(=O)N","Bacteria","Streptomycetaceae","Streptomyces sp. NCIMB 40513",-5.19126]
[19,"D10739",4142,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","CC(CC(O)[C@H]1O[C@@H]2CC[C@@]3(CC[C@@H](O3)\\C=C\\C(C)[C@@H]3CC(C)=CC4(O[C@H](C[C@@](C)(O)CO)CCC4O)O3)O[C@H]2C(O)C1=C)[C@H]1OC2(CCCCO2)CCC1C",1,"C00039897",0.5,0.88,"Okadaic acid","C44H68O13",804.466,"78111-17-8","QNDVLZJODHBUFM-FOAWSUFPNA-N","InChI=1S/C44H68O13/c1-25-21-34(55-44(23-25)35(46)12-11-31(54-44)24-41(6,50)40(48)49)26(2)9-10-30-14-18-43(53-30)19-15-33-39(57-43)36(47)29(5)38(52-33)32(45)22-28(4)37-27(3)13-17-42(56-37)16-7-8-20-51-42/h9-10,23,26-28,30-39,45-47,50H,5,7-8,11-22,24H2,1-4,6H3,(H,48,49)/b10-9+/t26-,27-,28+,30+,31+,32+,33-,34+,35-,36-,37+,38+,39+,41-,42+,43-,44-/m1/s1","C1CO[C@@]2(CC1)O[C@@H]([C@@H](CC2)C)[C@H](C[C@@H]([C@H]1O[C@H]2[C@@H]([C@@H](C1=C)O)O[C@@]1(CC2)CC[C@@H](O1)/C=C/[C@H]([C@@H]1CC(=C[C@]2(O1)O[C@@H](CC[C@H]2O)C[C@@](C(=O)O)(C)O)C)C)O)C","-","-","Mytilus edulis",-14.4447]
[22,"D10747",18573,"6lxt_A","Spike protein S2, Spike protein S2","CC(CO)[C@@]1(O)[C@@H](OC(=O)c2ccc[nH]2)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@]14C",4,"C00001661",0.3,0.880597,"Ryanodine","C25H35NO9",493.2312,"15662-33-6","JJSYXNQGLHBRRK-CUAIRPEJNA-N","InChI=1S/C25H35NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-7,10,12-13,15,17,26-27,29-33H,8-9,11H2,1-5H3/t13-,15+,17+,18-,19-,20-,21-,22+,23+,24+,25+/m0/s1","[C@@]12([C@]34O[C@@]5([C@]1([C@@]([C@H]([C@]2([C@]([C@@]3(O)CC[C@@H]([C@H]4O)C)(C5)C)O)OC(=O)c1ccc[nH]1)(O)C(C)C)C)O)O","Plantae","Samydaceae","Ryania speciosa",-7.7319]
[23,"D10970",4161,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","CC1(C)C[C@H](O)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1",1,"C00035257",0.5,1,"Chichipegenin","C30H50O4",474.3709,"474-15-7","CTNHZEZBBGIUJB-WWCCNKTGNA-N","InChI=1S/C30H50O4/c1-25(2)14-19-18-8-9-21-27(5)12-11-22(32)26(3,4)20(27)10-13-28(21,6)29(18,7)16-24(34)30(19,17-31)23(33)15-25/h8,19-24,31-34H,9-17H2,1-7H3/t19-,20-,21+,22-,23-,24-,27-,28+,29+,30+/m0/s1","C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@]([C@H](C2)O)([C@H](CC(C1)(C)C)O)CO)C)C)C)(C)C)O","Plantae","Cactaceae","Myrtillocactus geometrizans",-17.5925]
[24,"D11052",4798,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","CC1=NCCc2c1[nH]c1ccccc21",1,"C00051813",0.5,1,"Dihydro-beta-carboline","C12H12N2",184.1,null,null,"InChI=1S/C12H12N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,14H,6-7H2,1H3","c12c3c([nH]c1C(=NCC2)C)cccc3","-","-","Perganum harmala",-8.6791]
[25,"D11193",18551,"6lxt_A","Spike protein S2, Spike protein S2","CCCC(=O)N[C@@H](C(C)C)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)c(Br)c2)N(C)C(=O)[C@H]([C@@H](C)CC)N2[C@H](O)CC[C@H](NC(=O)[C@H](CCCCN)NC1=O)C2=O)C(C)C",4,"C00039557",0.3,1,"Kempopeptin B","C46H73BrN8O11",992.4582,"1051915-46-8","BESCRSMOIPNLKZ-ZSCYDUFCNA-N","InChI=1S/C46H73BrN8O11/c1-11-15-34(56)51-36(24(3)4)42(60)53-38-27(8)66-46(64)37(25(5)6)52-41(59)32(23-28-17-19-33(65-10)29(47)22-28)54(9)45(63)39(26(7)12-2)55-35(57)20-18-31(44(55)62)50-40(58)30(49-43(38)61)16-13-14-21-48/h17,19,22,24-27,30-32,35-39,57H,11-16,18,20-21,23,48H2,1-10H3,(H,49,61)(H,50,58)(H,51,56)(H,52,59)(H,53,60)/t26-,27+,30-,31-,32-,35-,36-,37-,38-,39+/m0/s1","[C@@H]1(CC[C@@H]2NC(=O)[C@@H](NC(=O)[C@H]([C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@H](N1C2=O)[C@@H](C)CC)C)Cc1ccc(c(c1)Br)OC)C(C)C)C)NC(=O)[C@H](C(C)C)NC(=O)CCC)CCCCN)O","-","-","Lyngbya sp.",-6.61277]
[27,"D11194",18548,"6lxt_A","Spike protein S2, Spike protein S2","CCCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2[C@H](O)CC[C@H](NC(=O)\\C(NC1=O)=C\\C)C2=O)C(C)C",4,"C00034686",0.3,1,"Somamide B","C46H62N8O12",918.4487,"350811-52-8","QNGONASSDVVIFN-OTKYVOGSNA-N","InChI=1S/C46H62N8O12/c1-7-12-36(57)48-31(19-21-35(47)56)41(60)52-39-26(5)66-46(65)38(25(3)4)51-42(61)33(23-28-15-17-29(55)18-16-28)53(6)45(64)34(24-27-13-10-9-11-14-27)54-37(58)22-20-32(44(54)63)50-40(59)30(8-2)49-43(39)62/h8-11,13-18,25-26,31-34,37-39,55,58H,7,12,19-24H2,1-6H3,(H2,47,56)(H,48,57)(H,49,62)(H,50,59)(H,51,61)(H,52,60)/b30-8-/t26-,31+,32+,33+,34+,37-,38+,39+/m1/s1","C1C[C@H](N2[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N/C(=C\\C)/C(=O)N[C@@H]1C2=O)NC(=O)[C@@H](NC(=O)CCC)CCC(=O)N)C)C(C)C)Cc1ccc(cc1)O)C)Cc1ccccc1)O","-","-","Lyngbya majuscula x Schizothrix sp.",-6.38589]
[29,"D11194",18548,"6lxt_A","Spike protein S2, Spike protein S2","CCCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2[C@H](O)CC[C@H](NC(=O)\\C(NC1=O)=C\\C)C2=O)C(C)C",4,"C00039673",0.3,0.94,"Lyngbyastatin 7","C48H66N8O12",946.48,"957131-00-9","DZIGKKCSWPSVIO-OHNRTRDINA-N","InChI=1S/C48H66N8O12/c1-7-9-11-16-38(59)50-33(21-23-37(49)58)43(62)54-41-28(5)68-48(67)40(27(3)4)53-44(63)35(25-30-17-19-31(57)20-18-30)55(6)47(66)36(26-29-14-12-10-13-15-29)56-39(60)24-22-34(46(56)65)52-42(61)32(8-2)51-45(41)64/h8,10,12-15,17-20,27-28,33-36,39-41,57,60H,7,9,11,16,21-26H2,1-6H3,(H2,49,58)(H,50,59)(H,51,64)(H,52,61)(H,53,63)(H,54,62)/b32-8-/t28-,33+,34+,35+,36+,39-,40+,41+/m1/s1","C1C[C@H](N2[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N/C(=C\\C)/C(=O)N[C@@H]1C2=O)NC(=O)[C@@H](NC(=O)CCCCC)CCC(=O)N)C)C(C)C)Cc1ccc(cc1)O)C)Cc1ccccc1)O","-","-","Lyngbya majuscula",-6.17367]
[30,"D11207",4699,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","CCCCCC(=O)N1CCCC1",1,"C00031853",0.5,0.958333,"Hexadecanoylpyrrolidine1-Hexadecanoylpyrrolidine","C20H39NO",309.3032,"70974-48-0","ULDNZNZTSYZQKK-UHFFFAOYSA-N","InChI=1S/C20H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(22)21-18-15-16-19-21/h2-19H2,1H3","C1CCCN1C(=O)CCCCCCCCCCCCCCC","Plantae","Piperaceae","Piper nigrum L.",-7.04543]
[32,"D11208",18546,"6lxt_A","Spike protein S2, Spike protein S2","CCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2[C@H](O)CC[C@H](NC(=O)\\C(NC1=O)=C\\C)C2=O)C(C)C",4,"C00034686",0.3,0.94,"Somamide B","C46H62N8O12",918.4487,"350811-52-8","QNGONASSDVVIFN-OTKYVOGSNA-N","InChI=1S/C46H62N8O12/c1-7-12-36(57)48-31(19-21-35(47)56)41(60)52-39-26(5)66-46(65)38(25(3)4)51-42(61)33(23-28-15-17-29(55)18-16-28)53(6)45(64)34(24-27-13-10-9-11-14-27)54-37(58)22-20-32(44(54)63)50-40(59)30(8-2)49-43(39)62/h8-11,13-18,25-26,31-34,37-39,55,58H,7,12,19-24H2,1-6H3,(H2,47,56)(H,48,57)(H,49,62)(H,50,59)(H,51,61)(H,52,60)/b30-8-/t26-,31+,32+,33+,34+,37-,38+,39+/m1/s1","C1C[C@H](N2[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N/C(=C\\C)/C(=O)N[C@@H]1C2=O)NC(=O)[C@@H](NC(=O)CCC)CCC(=O)N)C)C(C)C)Cc1ccc(cc1)O)C)Cc1ccccc1)O","-","-","Lyngbya majuscula x Schizothrix sp.",-6.38589]
[33,"D11208",18546,"6lxt_A","Spike protein S2, Spike protein S2","CCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2[C@H](O)CC[C@H](NC(=O)\\C(NC1=O)=C\\C)C2=O)C(C)C",4,"C00034685",0.3,0.885714,"Somamide A(-)-Somamide A","C48H67N7O12S",965.4568,"350811-51-7","YJIIXVAOLGKWSK-IOBDTDCANA-N","InChI=1S/C48H67N7O12S/c1-8-10-12-17-38(57)49-34(24-25-68(7)66)43(60)53-41-29(5)67-48(65)40(28(3)4)52-44(61)36(26-31-18-20-32(56)21-19-31)54(6)47(64)37(27-30-15-13-11-14-16-30)55-39(58)23-22-35(46(55)63)51-42(59)33(9-2)50-45(41)62/h9,11,13-16,18-21,28-29,34-37,39-41,56,58H,8,10,12,17,22-27H2,1-7H3,(H,49,57)(H,50,62)(H,51,59)(H,52,61)(H,53,60)/b33-9-/t29-,34+,35+,36+,37+,39-,40+,41+,68+/m1/s1","C1C[C@H](N2[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N/C(=C\\C)/C(=O)N[C@@H]1C2=O)NC(=O)[C@@H](NC(=O)CCCCC)CC[S@@](=O)C)C)C(C)C)Cc1ccc(cc1)O)C)Cc1ccccc1)O","-","-","Lyngbya majuscula x Schizothrix sp.",-6.35349]
[35,"D11208",18546,"6lxt_A","Spike protein S2, Spike protein S2","CCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2[C@H](O)CC[C@H](NC(=O)\\C(NC1=O)=C\\C)C2=O)C(C)C",4,"C00039673",0.3,1,"Lyngbyastatin 7","C48H66N8O12",946.48,"957131-00-9","DZIGKKCSWPSVIO-OHNRTRDINA-N","InChI=1S/C48H66N8O12/c1-7-9-11-16-38(59)50-33(21-23-37(49)58)43(62)54-41-28(5)68-48(67)40(27(3)4)53-44(63)35(25-30-17-19-31(57)20-18-30)55(6)47(66)36(26-29-14-12-10-13-15-29)56-39(60)24-22-34(46(56)65)52-42(61)32(8-2)51-45(41)64/h8,10,12-15,17-20,27-28,33-36,39-41,57,60H,7,9,11,16,21-26H2,1-6H3,(H2,49,58)(H,50,59)(H,51,64)(H,52,61)(H,53,63)(H,54,62)/b32-8-/t28-,33+,34+,35+,36+,39-,40+,41+/m1/s1","C1C[C@H](N2[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N/C(=C\\C)/C(=O)N[C@@H]1C2=O)NC(=O)[C@@H](NC(=O)CCCCC)CCC(=O)N)C)C(C)C)Cc1ccc(cc1)O)C)Cc1ccccc1)O","-","-","Lyngbya majuscula",-6.17367]
[36,"D11213",25783,"6m1v_A","Spike protein S2,Spike protein S2","CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC",4,"C00003375",0.6,1,"Thapsigargin","C34H50O12",650.3302,"67526-95-8","IXFPJGBNCFXKPI-XOOWKGIRNA-N","InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1","[C@H]12C(=C([C@@H]([C@H]2OC(=O)CCCCCCC)OC(=O)/C(=C\\C)/C)C)[C@H]2[C@]([C@H](C[C@@]1(OC(=O)C)C)OC(=O)CCC)([C@@](C(=O)O2)(O)C)O","Plantae","Apiaceae","Thapsia garganica",-6.40439]
[37,"D11213",25783,"6m1v_A","Spike protein S2,Spike protein S2","CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC",4,"C00020715",0.6,0.985294,"Thapsigargicin","C32H46O12",622.2989,"67526-94-7","LXWLOFYIORKNSA-IVRDBKRWNA-N","InChI=1S/C32H46O12/c1-9-12-13-15-22(35)41-26-24-23(18(5)25(26)42-28(36)17(4)11-3)27-32(39,31(8,38)29(37)43-27)20(40-21(34)14-10-2)16-30(24,7)44-19(6)33/h11,20,24-27,38-39H,9-10,12-16H2,1-8H3/b17-11-/t20-,24+,25-,26-,27-,30-,31+,32+/m0/s1","[C@@H]1(C(=C2[C@H]([C@@H]1OC(=O)CCCCC)[C@@](C[C@@H]([C@]1([C@H]2OC(=O)[C@@]1(C)O)O)OC(=O)CCC)(C)OC(=O)C)C)OC(=O)/C(=C\\C)/C","Plantae","Apiaceae","Thapsia garganica",-5.7448]
[45,"D11256",4087,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","CCCCCCCC\\C=C/CCCCCCCC(O)=O",1,"C00001224",0.5,0.884615,"Linoleic acid(Z,Z)-9,12-Octadecadienoic acid","C18H32O2",280.2402,"60-33-3","OYHQOLUKZRVURQ-IXWMQOLASA-N","InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9+","C(=C\\C/C=C/CCCCCCCC(=O)O)\\CCCCC","-","-","Spongiporus leucomallellus (Murril)",-8.99523]
[40,"D11256",4087,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","CCCCCCCC\\C=C/CCCCCCCC(O)=O",1,"C00001240",0.5,1,"Vaccenic acid","C18H34O2",282.2559,"693-72-1","UWHZIFQPPBDJPM-FPLPWBNLSA-N","InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7-","C(=O)(O)CCCCCCCCC/C=C\\CCCCCC","Plantae","Bignoniaceae","Macfadyena unguis-cati",-8.92586]
[39,"D11256",4087,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","CCCCCCCC\\C=C/CCCCCCCC(O)=O",1,"C00001217",0.5,1,"Erucic acidcis-13-Docosenoic acid","C22H42O2",338.3185,"112-86-7","DPUOLQHDNGRHBS-KTKRTIGZSA-N","InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9-","C(=O)(O)CCCCCCCCCCC/C=C\\CCCCCCCC","Plantae","Tropaeolaceae","Tropaeolum majus",-8.71942]
[41,"D11256",4087,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","CCCCCCCC\\C=C/CCCCCCCC(O)=O",1,"C00001234",0.5,1,"Palmitoleic acid(Z)-Palmitoleic acidcis-Palmitoleic acid","C16H30O2",254.2246,"373-49-9","SECPZKHBENQXJG-FPLPWBNLSA-N","InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-","CCCCCC/C=C\\CCCCCCCC(=O)O","-","-","Calopyllum calaba",-8.54643]
[42,"D11256",4087,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","CCCCCCCC\\C=C/CCCCCCCC(O)=O",1,"C00001232",0.5,1,"Oleic acid(Z)-9-Octadecenoic acid","C18H34O2",282.2559,"112-80-1","ZQPPMHVWECSIRJ-KTKRTIGZSA-N","InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-","CCCCCCCC/C=C\\CCCCCCCC(=O)O","-","-","Sebastiana sebiferum",-8.29108]
[44,"D11256",4087,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","CCCCCCCC\\C=C/CCCCCCCC(O)=O",1,"C00001235",0.5,1,"Petroselinic acid","C18H34O2",282.2559,"593-39-5","CNVZJPUDSLNTQU-SEYXRHQNSA-N","InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/b13-12-","CCCCCCCCCCC/C=C\\CCCCC(=O)O","Plantae","Araliaceae","Aralia spinosa",-8.26308]
[43,"D11256",4087,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","CCCCCCCC\\C=C/CCCCCCCC(O)=O",1,"C00001229",0.5,0.916667,"Myristoleic acid","C14H26O2",226.1933,"544-64-9","YWWVWXASSLXJHU-AATRIKPKSA-N","InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5+","CCCC/C=C/CCCCCCCC(=O)O","Plantae","Polygonaceae","Polygonum minus",-7.53717]
[48,"D11256",4087,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","CCCCCCCC\\C=C/CCCCCCCC(O)=O",1,"C00035628",0.5,1,"Gondoic acid","C20H38O2",310.2872,"5561-99-9","BITHHVVYSMSWAG-KTKRTIGZSA-N","InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H,21,22)/b10-9-","C(=C\\CCCCCCCC)\\CCCCCCCCCC(=O)O","Plantae","Poaceae","Triticum aestivum",-7.36246]
[50,"D11256",4087,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","CCCCCCCC\\C=C/CCCCCCCC(O)=O",1,"C00050972",0.5,1,"Isooleic acidtrans-10-Octadecenoic acid","C18H34O2",282.2559,"5684-82-2","QXJSBBXBKPUZAA-CMDGGOBGSA-N",null,"C(CCCCCCC/C=C/CCCCCCC)C(=O)O","-","-","Changium smyrnioides",-7.33308]
[38,"D11256",4087,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","CCCCCCCC\\C=C/CCCCCCCC(O)=O",1,"C00000347",0.5,1,"cis-11-Octadecanoic acidcis-vaccenic acid","C18H34O2",282.2559,"506-17-2","UWHZIFQPPBDJPM-FPLPWBNLSA-N","InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7-","C(CCCCCCC(=O)O)CC/C=C\\CCCCCC","Plantae","Solanaceae","Solanum tuberosum",-7.3018]
[49,"D11256",4087,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","CCCCCCCC\\C=C/CCCCCCCC(O)=O",1,"C00036669",0.5,0.884615,"9,12-Octadecadienoic acid","C18H32O2",280.2402,"2197-37-7","OYHQOLUKZRVURQ-AVQMFFATSA-N","InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6+,10-9+","OC(=O)CCCCCCC/C=C/C/C=C/CCCCC","Plantae","Jubulaceae","Frullania spinifera",-7.26076]
[46,"D11256",4087,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","CCCCCCCC\\C=C/CCCCCCCC(O)=O",1,"C00007424",0.5,0.916667,"cis-10-Pentadecenoic acid","C15H28O2",240.2089,"84743-29-3","APXSAEQXOXTDAM-WAYWQWQTSA-N","InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h5-6H,2-4,7-14H2,1H3,(H,16,17)/b6-5-","C(=C\\CCCC)\\CCCCCCCCC(=O)O","Plantae","Cruciferae","Arabidopsis thaliana",-7.21682]
[52,"D11292",25454,"7e88_L","Spike protein S1","CCCC[C@@H](O)\\C=C(/C)\\C=C\\C=C/C(=O)N1CCCC1=O",2,"C00018679",0.3,1,"LeofungineNSC 291839PecilocinSupralVariotin","C17H25NO3",291.1834,"19504-77-9","ZYPGADGCNXOUJP-IPZSPNOHNA-N","InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6+,14-13+/t15-/m1/s1","C1CC(=O)N(C1)C(=O)/C=C/C=C/C(=C/[C@@H](CCCC)O)/C","Fungi","Trichocomaceae","Paecilomyces varioti var. antibioticus",9.8948]
[54,"D11293",25457,"7e88_L","Spike protein S1","CCCC[C@@H](O)\\C=C(/C)\\C=C\\C=C\\C(=O)N1CCCC1=O",2,"C00018679",0.3,1,"LeofungineNSC 291839PecilocinSupralVariotin","C17H25NO3",291.1834,"19504-77-9","ZYPGADGCNXOUJP-IPZSPNOHNA-N","InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6+,14-13+/t15-/m1/s1","C1CC(=O)N(C1)C(=O)/C=C/C=C/C(=C/[C@@H](CCCC)O)/C","Fungi","Trichocomaceae","Paecilomyces varioti var. antibioticus",9.8948]
[55,"D11765",606,"6zp2_A","Spike glycoprotein","CC[C@@H](C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O",1,"C00028778",0.4,1,"Oscillamide Y","C45H59N7O10",857.4323,"168482-80-2","KCAKUFQSCADGHZ-RNCCVCFHNA-N","InChI=1S/C45H59N7O10/c1-5-27(2)38-42(58)47-35(23-18-29-14-19-32(53)20-15-29)43(59)52(4)28(3)39(55)48-36(25-30-11-7-6-8-12-30)40(56)46-24-10-9-13-34(41(57)51-38)49-45(62)50-37(44(60)61)26-31-16-21-33(54)22-17-31/h6-8,11-12,14-17,19-22,27-28,34-38,53-54H,5,9-10,13,18,23-26H2,1-4H3,(H,46,56)(H,47,58)(H,48,55)(H,51,57)(H,60,61)(H2,49,50,62)/t27-,28+,34-,35+,36+,37+,38+/m1/s1","C1(=O)N[C@H](C(=O)NCCCC[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H]1C)C)CCc1ccc(cc1)O)[C@H](C)CC)NC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O)Cc1ccccc1","-","-","Oscillatoria agardhii",-13.3712]
[59,"D11776",371,"6zp2_A","Spike glycoprotein","CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](CCCNC(N)=N)C(O)=O",1,"C00031597",0.4,0.913978,"Anabaenopeptin B","C41H60N10O9",836.4545,"161897-74-1","ZDOVFDLIJJGVQM-DRXQOAHKNA-N","InChI=1S/C41H60N10O9/c1-24(2)33-37(56)46-30(20-17-26-15-18-28(52)19-16-26)38(57)51(4)25(3)34(53)47-32(23-27-11-6-5-7-12-27)35(54)44-21-9-8-13-29(36(55)50-33)48-41(60)49-31(39(58)59)14-10-22-45-40(42)43/h5-7,11-12,15-16,18-19,24-25,29-33,52H,8-10,13-14,17,20-23H2,1-4H3,(H,44,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H4,42,43,45)(H2,48,49,60)/t25-,29+,30-,31-,32-,33-/m0/s1","C1(=O)N([C@H](C(=O)N[C@H](C(=O)NCCCC[C@H](C(=O)N[C@H](C(=O)N[C@H]1CCc1ccc(cc1)O)C(C)C)NC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)Cc1ccccc1)C)C","-","-","Oscillatoria agardhii CYA128",-12.9268]
[58,"D11776",371,"6zp2_A","Spike glycoprotein","CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](CCCNC(N)=N)C(O)=O",1,"C00027845",0.4,1,"Anabaenopeptin F","C42H62N10O9",850.4701,"226416-60-0","RAUPUVQHUFXDQT-BLXFGVBLNA-N","InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31+,32+,33+,34-/m1/s1","[C@@H]1(C(=O)N[C@H](C(=O)NCCCC[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1C)CCc1ccc(cc1)O)[C@H](C)CC)NC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)Cc1ccccc1)C","-","-","Oscillatoria agardhii",-12.9232]
[56,"D11776",371,"6zp2_A","Spike glycoprotein","CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](CCCNC(N)=N)C(O)=O",1,"C00027846",0.4,0.893617,"Anabaenopeptin G","C45H68N10O10",908.512,"226413-70-3","LVQQRSDHGCDCHE-UVSDUYKQNA-N","InChI=1S/C45H68N10O10/c1-6-26(3)36-40(60)50-33(22-17-28-13-18-30(56)19-14-28)42(62)55(5)37(27(4)7-2)41(61)51-35(25-29-15-20-31(57)21-16-29)38(58)48-23-9-8-11-32(39(59)54-36)52-45(65)53-34(43(63)64)12-10-24-49-44(46)47/h13-16,18-21,26-27,32-37,56-57H,6-12,17,22-25H2,1-5H3,(H,48,58)(H,50,60)(H,51,61)(H,54,59)(H,63,64)(H4,46,47,49)(H2,52,53,65)/t26-,27+,32+,33-,34-,35-,36-,37-/m0/s1","[C@@H]1(C(=O)NCCCC[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N1)[C@@H](CC)C)C)CCc1ccc(cc1)O)[C@H](CC)C)NC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)Cc1ccc(cc1)O","-","-","Oscillatoria agardhii",-11.0444]
[60,"D11776",371,"6zp2_A","Spike glycoprotein","CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc2ccc(O)cc2)NC1=O)NC(=O)N[C@@H](CCCNC(N)=N)C(O)=O",1,"C00046254",0.4,0.914894,"Oscillamide C","C49H68N10O10",956.512,"365400-08-4","TTWROJJNRKDVPJ-UBUSIEMSNA-N","InChI=1S/C49H68N10O10/c1-4-30(2)41-45(65)54-37(25-19-31-15-21-34(60)22-16-31)46(66)59(3)40(26-20-32-17-23-35(61)24-18-32)44(64)55-39(29-33-11-6-5-7-12-33)42(62)52-27-9-8-13-36(43(63)58-41)56-49(69)57-38(47(67)68)14-10-28-53-48(50)51/h5-7,11-12,15-18,21-24,30,36-41,60-61H,4,8-10,13-14,19-20,25-29H2,1-3H3,(H,52,62)(H,54,65)(H,55,64)(H,58,63)(H,67,68)(H4,50,51,53)(H2,56,57,69)/t30-,36+,37-,38-,39-,40-,41-/m0/s1","[C@@H]1(C(=O)NCCCC[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N1)CCc1ccc(cc1)O)C)CCc1ccc(cc1)O)[C@H](CC)C)NC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)Cc1ccccc1","Bacteria","Phormidiaceae","Planktothrix rubescens",-9.50253]
[62,"D11782",25789,"6m1v_A","Spike protein S2,Spike protein S2","CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)CC(=O)N[C@]1([C@@H](O)C[C@@H]2[C@H]1CN(C)C=C2C(N)=O)C(O)=O",4,"C00015518",0.6,1,"SB 203207","C19H31N5O8S",489.1893,"277753-32-9","HDXFGBFIEQUETL-DSCOMPIGNA-N","InChI=1S/C19H31N5O8S/c1-4-9(2)15(20)17(28)23-33(31,32)8-14(26)22-19(18(29)30)12-7-24(3)6-11(16(21)27)10(12)5-13(19)25/h6,9-10,12-13,15,25H,4-5,7-8,20H2,1-3H3,(H2,21,27)(H,22,26)(H,23,28)(H,29,30)/t9-,10-,12+,13-,15-,19+/m0/s1","C1=C([C@H]2[C@@H](CN1C)[C@]([C@H](C2)O)(NC(=O)CS(=O)(=O)NC(=O)[C@H]([C@H](CC)C)N)C(=O)O)C(=O)N","Bacteria","Streptomycetaceae","Streptomyces sp. NCIMB 40513",-5.19126]
[63,"D11783",25939,"6m1v_A","Spike protein S2,Spike protein S2","CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C\\C=C(C)\\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\\C=C\\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2",4,"C00016540",0.6,0.864078,"Antibiotic C 076B2aAvermectin B2aL 676897","C48H74O15",890.5028,"65195-57-5","CWGATOJEFAKFBK-PCSLTXRUNA-N","InChI=1S/C48H74O15/c1-11-24(2)43-28(6)35(49)22-47(63-43)21-33-18-32(62-47)16-15-26(4)42(25(3)13-12-14-31-23-56-45-40(50)27(5)17-34(46(52)59-33)48(31,45)53)60-39-20-37(55-10)44(30(8)58-39)61-38-19-36(54-9)41(51)29(7)57-38/h12-15,17,24-25,28-30,32-45,49-51,53H,11,16,18-23H2,1-10H3/b13-12+,26-15+,31-14+/t24-,25-,28-,29-,30-,32+,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47-,48+/m0/s1","[C@@H]1([C@@H](O[C@H](C[C@@H]1OC)O[C@H]1[C@@H](O[C@H](C[C@@H]1OC)O[C@H]1[C@H](/C=C/C=C\\2/[C@]3([C@H](C(=O)O[C@@H]4C[C@H](O[C@]5(C4)C[C@@H]([C@@H]([C@H](O5)[C@H](CC)C)C)O)C/C=C/1\\C)C=C([C@H]([C@H]3OC2)O)C)O)C)C)C)O","Bacteria","Streptomycetaceae","Streptomyces avermitilis",-5.48708]
[65,"D11796",4227,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc12",1,"C00001835",0.5,0.890909,"Cephaeline","C28H38N2O4",466.2832,"483-17-0","DTGZHCFJNDAHEN-GMMNTXESNA-N","InChI=1S/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3/t17-,20-,23+,24-/m0/s1","[C@@H]12N(CCc3c1cc(c(c3)OC)OC)C[C@@H]([C@H](C2)C[C@H]1NCCc2c1cc(c(c2)O)OC)CC","-","-","Cephalis ipecacuanha",-15.5038]
[64,"D11796",4227,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc12",1,"C00001849",0.5,1,"Emetine","C29H40N2O4",480.2988,"483-18-1","AUVVAXYIELKVAI-PCBPFIOTNA-N","InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m0/s1","c1c(c(cc2c1[C@H]1N(CC2)C[C@@H]([C@H](C1)C[C@H]1NCCc2c1cc(c(c2)OC)OC)CC)OC)OC","-","-","Uragoga ipecacuanha",-15.1207]
[70,"D11796",4227,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc12",1,"C00051992",0.5,0.854545,"9-O-Demethylcephaeline","C27H36N2O4",452.2675,"82570-80-7",null,"InChI=1S/C27H36N2O4/c1-4-16-15-29-8-6-18-12-25(31)27(33-3)14-21(18)23(29)10-19(16)9-22-20-13-26(32-2)24(30)11-17(20)5-7-28-22/h11-14,16,19,22-23,28,30-31H,4-10,15H2,1-3H3/t16-,19-,22+,23-/m0/s1","c12c(cc(c(c1)OC)O)CCN1[C@H]2C[C@@H]([C@H](C1)CC)C[C@H]1NCCc2c1cc(c(c2)O)OC","Plantae","Rubiaceae","Psychotria ipecacuanha",-11.7908]
[67,"D11796",4227,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc12",1,"C00027245",0.5,0.857143,"10-O-Demethylcephaeline(-)-10-Demethylcephaeline","C27H36N2O4",452.2675,"29700-91-2","QBNRQKFLWJOWBD-DNDCOMKGNA-N","InChI=1S/C27H36N2O4/c1-4-16-15-29-8-6-18-12-26(32-2)25(31)13-21(18)23(29)10-19(16)9-22-20-14-27(33-3)24(30)11-17(20)5-7-28-22/h11-14,16,19,22-23,28,30-31H,4-10,15H2,1-3H3/t16-,19-,22+,23-/m0/s1","c1(c(cc2c(c1)CCN1[C@H]2C[C@@H]([C@H](C1)CC)C[C@H]1NCCc2c1cc(c(c2)O)OC)O)OC","Plantae","Rubiaceae","Psychotria ipecacuanha",-11.5469]
[69,"D11796",4227,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc12",1,"C00044486",0.5,0.890909,"7'-O-Demethylisocephaeline(-)-7'-O-Demethylisocephaeline","C27H36N2O4",452.2675,"586399-02-2","HGQNZTBYUKKJLH-USSMMLFANA-N","InChI=1S/C27H36N2O4/c1-4-16-15-29-8-6-18-12-26(32-2)27(33-3)14-21(18)23(29)10-19(16)9-22-20-13-25(31)24(30)11-17(20)5-7-28-22/h11-14,16,19,22-23,28,30-31H,4-10,15H2,1-3H3/t16-,19-,22-,23-/m0/s1","c1(c(cc2c(c1)[C@H]1N(CC2)C[C@@H]([C@H](C1)C[C@@H]1NCCc2c1cc(c(c2)O)O)CC)OC)OC","Plantae","Rubiaceae","Psychotria klugii",-11.4951]
[68,"D11796",4227,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc12",1,"C00038322",0.5,0.890909,"7'-O-Demethylcephaeline","C27H36N2O4",452.2675,"261515-31-5","HGQNZTBYUKKJLH-DNDCOMKGNA-N","InChI=1S/C27H36N2O4/c1-4-16-15-29-8-6-18-12-26(32-2)27(33-3)14-21(18)23(29)10-19(16)9-22-20-13-25(31)24(30)11-17(20)5-7-28-22/h11-14,16,19,22-23,28,30-31H,4-10,15H2,1-3H3/t16-,19-,22+,23-/m0/s1","c1(c(cc2c(c1)[C@H]1N(CC2)C[C@@H]([C@H](C1)C[C@H]1NCCc2c1cc(c(c2)O)O)CC)OC)OC","-","-","Carapichea affinis",-11.186]
[66,"D11796",4227,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc12",1,"C00027384",0.5,0.890909,"Isocephaeline","C28H38N2O4",466.2832,"5884-45-7","DTGZHCFJNDAHEN-CBPZIFBLNA-N","InChI=1S/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3/t17-,20-,23-,24-/m0/s1","c1(c(cc2c(c1)CCN1[C@H]2C[C@@H]([C@H](C1)CC)C[C@@H]1NCCc2c1cc(c(c2)O)OC)OC)OC","Plantae","Rubiaceae","Psychotria klugii",-10.5238]
[71,"D11800",32208,"7c53_A","Spike protein S2',pan-CoVs inhibitor EK1","CC\\C=C/C[C@@H]1[C@@H](CC(O)=O)CCC1=O",4,"C00000446",0.3,1,"(+)-Epijasmonic acid7-iso-Jasmonic acid","C12H18O3",210.1256,"62653-85-4","ZNJFBWYDHIGLCU-LFOGJOMPNA-N","InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10+/m1/s1","C1C[C@@H]([C@@H](C1=O)C/C=C\\CC)CC(=O)O","Plantae","Solanaceae","Solanum melongena",-5.02368]
[72,"D11800",32208,"7c53_A","Spike protein S2',pan-CoVs inhibitor EK1","CC\\C=C/C[C@@H]1[C@@H](CC(O)=O)CCC1=O",4,"C00000218",0.3,1,"(-)-Jasmonic acidJasmonic acidtrans-Jasmonic acid3-Oxo-2-(2Z-pentenyl)cyclotentylacetic acid","C12H18O3",210.1256,"6894-38-8","ZNJFBWYDHIGLCU-AVDNRZGUNA-N","InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1","C1C[C@@H]([C@H](C1=O)C/C=C\\CC)CC(=O)O","Plantae","Valerianaceae/Linnaeaceae/Dipsacaceae/Diervillaceae","Valeriana officinalis",-5.02192]
[74,"D12280",13487,"6zfo_A","Spike glycoprotein","CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O",2,"C00015601",0.4,1,"ArgifinFTD 0668","C29H41N9O10",675.2976,"243975-37-3","UHBHXSDKGLPPGO-UKDTUBJNNA-N","InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1","C1[C@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@H](NC(=O)C[C@H](NC1=O)C(=O)O)C)CCCNC(=N)NC(=O)NC)C)Cc1ccccc1)C(=O)O","Fungi","Hypocreaceae","Gliocladium sp. FTD-0668",-6.90471]
[77,"D12311",25865,"6m1v_A","Spike protein S2,Spike protein S2","CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13",4,"C00027661",0.6,0.855072,"11-Hydroxyvittatine","C28H26N4O4",482.1954,"143682-17-1","YVTHZQUVPBXOSO-UHFFFAOYNA-N","InChI=1S/C28H26N4O4/c1-28-26(35-3)16(29-2)11-19(36-28)31-17-9-5-4-7-13(17)21-22-15(12-30-27(22)34)20-14-8-6-10-18(33)23(14)32(28)25(20)24(21)31/h4-10,16,19,26,29,33H,11-12H2,1-3H3,(H,30,34)/t16-,19+,26+,28-/m0/s1","c1ccc2c(c1)n1c3c2c2c(c4c3n(c3c4cccc3O)[C@]3(O[C@@H]1C[C@@H]([C@H]3OC)NC)C)CNC2=O","Plantae","Amaryllidaceae","Pancratium sickenbergeri",-9.11643]
[76,"D12311",25865,"6m1v_A","Spike protein S2,Spike protein S2","CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13",4,"C00018127",0.6,1,"(+)-StaurosporineStaurosporineAM-2282Antibiotic 230Antibiotic AM 2282CGP 39360StaurosporinStaurosporine","C28H26N4O3",466.2005,"62996-74-1","HKSZLNNOFSGOKW-YQMWWAPPNA-N","InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1","c1ccc2c(c1)n1c3c2c2c(c4c3n(c3c4cccc3)[C@]3(O[C@@H]1C[C@H]([C@H]3OC)NC)C)CNC2=O","-","-","Saccharothrix aerocolonigenes subsp. copiosa SCC1951",-8.91595]
[75,"D12311",25865,"6m1v_A","Spike protein S2,Spike protein S2","CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13",4,"C00017543",0.6,0.882353,"TAN 999","C29H28N4O4",496.2111,"124843-68-1","LIJXXVBGGBCIEP-UHFFFAOYNA-N","InChI=1S/C29H28N4O4/c1-29-27(36-4)18(30-2)12-21(37-29)32-19-8-6-5-7-15(19)23-24-17(13-31-28(24)34)22-16-10-9-14(35-3)11-20(16)33(29)26(22)25(23)32/h5-11,18,21,27,30H,12-13H2,1-4H3,(H,31,34)/t18-,21+,27-,29-/m0/s1","c1ccc2c(c1)n1c3c2c2c(c4c3n([C@@]3([C@H]([C@H](C[C@H]1O3)NC)OC)C)c1c4ccc(c1)OC)CNC2=O","Bacteria","Nocardiaceae","Nocardia dassonvillei C-71425",-7.83446]
[78,"D12313",12345,"7nxa_C","Spike protein S1","CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc12",2,"C00027138",0.5,1,"ColchamineDemecolcine","C21H25NO5",371.1733,"477-30-5","NNJPGOLRFBJNIW-GGYSOQFKNA-N","InChI=1S/C21H25NO5/c1-22-15-8-6-12-10-18(25-3)20(26-4)21(27-5)19(12)13-7-9-17(24-2)16(23)11-14(13)15/h7,9-11,15,22H,6,8H2,1-5H3/t15-/m1/s1","c1c(c(=O)cc2c(c1)c1c(CC[C@H]2NC)cc(c(c1OC)OC)OC)OC","Plantae","Melanthiaceae","Merendera sobolifera",-7.72028]
[79,"D12428",14994,"6lxt_A","Spike protein S2, Spike protein S2","COC(=O)[C@]1(O)CC2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13",4,"C00017790",0.3,0.857143,"Antibiotic K 252bK 252bKT 5556","C26H19N3O5",453.1325,"99570-78-2","AMSOPBXQXSAAAC-YBQAJQQZNA-N","InChI=1S/C26H19N3O5/c1-25-26(33,24(31)32)10-17(34-25)28-15-8-4-2-6-12(15)19-20-14(11-27-23(20)30)18-13-7-3-5-9-16(13)29(25)22(18)21(19)28/h2-9,17,33H,10-11H2,1H3,(H,27,30)(H,31,32)/t17-,25+,26+/m1/s1","c12c3c4c5c(c1c1c(n2[C@]2(O[C@@H](n3c3c4cccc3)C[C@@]2(C(=O)O)O)C)cccc1)CNC5=O","-","-","Nocardiopsis sp. K-290",-7.43211]
[80,"D12428",14994,"6lxt_A","Spike protein S2, Spike protein S2","COC(=O)[C@]1(O)CC2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13",4,"C00017726",0.3,1,"(+)-Antibiotic K 252a(+)-Antibiotic SF 2370Protein kinase inhibitor K252aSF 2370","C27H21N3O5",467.1481,"99533-80-9","KOZFSFOOLUUIGY-QGNOOHCHNA-N","InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18-,26+,27+/m1/s1","c1ccc2c(c1)n1c3c2c2c(c4c3n(c3c4cccc3)[C@]3(O[C@@H]1C[C@]3(O)C(=O)OC)C)CNC2=O","-","-","Nocardiopsis sp. K-290",-7.02019]
[81,"D12434",25447,"7e88_L","Spike protein S1","COC(=O)c1cc(OC)cc(OC)c1C(=O)c1coc(\\C=C\\C)c(OC)c1=O",2,"C00038270",0.3,1,"3-O-Methylfunicone","C20H20O8",388.1158,"28403-06-7","WGLRJONCGNNMKL-VOTSOKGWSA-N","InChI=1S/C20H20O8/c1-6-7-14-19(26-4)18(22)13(10-28-14)17(21)16-12(20(23)27-5)8-11(24-2)9-15(16)25-3/h6-10H,1-5H3/b7-6+","c1(c(occ(c1=O)C(=O)c1c(cc(cc1C(=O)OC)OC)OC)/C=C/C)OC","Fungi","Trichocomaceae","Penicillium pinophilum",17.46065]
[83,"D12615",12051,"7nxa_C","Spike protein S1","COc1c(O)c2c(oc(cc2=O)-c2c(O)cccc2O)c(OC)c1OC",2,"C00003923",0.5,0.897436,"5,6,2',6'-Tetrahydroxy-7,8-dimethoxyflavone","C17H14O8",346.0689,"136055-62-4","JJBOLVRIGHFVHG-UHFFFAOYSA-N","InChI=1S/C17H14O8/c1-23-16-14(22)13(21)12-9(20)6-10(25-15(12)17(16)24-2)11-7(18)4-3-5-8(11)19/h3-6,18-19,21-22H,1-2H3","c1(c(c(c2c(c1OC)oc(cc2=O)c1c(cccc1O)O)O)O)OC","Plantae","Labiatae","Scutellaria prostrata",-10.179]
[82,"D12615",12051,"7nxa_C","Spike protein S1","COc1c(O)c2c(oc(cc2=O)-c2c(O)cccc2O)c(OC)c1OC",2,"C00001099",0.5,0.857143,"Skullcapflavone IINeobaicalein","C19H18O8",374.1002,"55084-08-7","GMQFOKBGMKVUQZ-UHFFFAOYSA-N","InChI=1S/C19H18O8/c1-23-11-7-5-6-9(20)13(11)12-8-10(21)14-15(22)17(24-2)19(26-4)18(25-3)16(14)27-12/h5-8,20,22H,1-4H3","c1(c(c(c2c(c1OC)oc(cc2=O)c1c(cccc1O)OC)O)OC)OC","Plantae","Labiatae","Scutellaria baicalensis",-8.23751]
[85,"D12740",25781,"6m1v_A","Spike protein S2,Spike protein S2","COc1cc(\\C=C\\C(=O)CC(=O)\\C=C\\c2ccc(O)c(OC)c2)ccc1O",4,"C00037023",0.6,0.885714,"DemethoxycurcuminCurcumin II","C20H18O5",338.1154,"22608-11-3","HJTVQHVGMGKONQ-LUZURFALSA-N","InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3/b9-4+,10-5+","c1c(c(cc(c1)/C=C/C(=O)CC(=O)/C=C/c1ccc(cc1)O)OC)O","Plantae","Zingiberaceae","Zingiber officinale",-5.88701]
[84,"D12740",25781,"6m1v_A","Spike protein S2,Spike protein S2","COc1cc(\\C=C\\C(=O)CC(=O)\\C=C\\c2ccc(O)c(OC)c2)ccc1O",4,"C00033297",0.6,0.885714,"Monodemethoxycurcuminp-Hydroxycinnamoyl feruloyl methane","C20H18O5",338.1154,"24939-17-1","HJTVQHVGMGKONQ-LUZURFALSA-N","InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3/b9-4+,10-5+","c1(c(cc(cc1)/C=C/C(=O)CC(=O)/C=C/c1ccc(cc1)O)OC)O","Plantae","Zingiberaceae","Curcuma zanthorrhiza",-5.86219]
[86,"D12837",25758,"6m1v_A","Spike protein S2,Spike protein S2","COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4",4,"C00001884",0.6,0.943662,"Macoline","C37H41N2O6",609.2965,"66216-59-9","MRNNKFDOEWDVRD-ZTMACLEXNA-O","InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-23-8-11-30(40)31(18-23)44-26-9-6-22(7-10-26)17-29-35-25(13-15-39(29,2)3)20-34(43-5)36(41)37(35)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1/t28-,29+/m0/s1","c12c3c(c(c(c1)OC)O)Oc1c(cc4c(c1)[C@@H](N(CC4)C)Cc1ccc(c(c1)Oc1ccc(cc1)C[C@H]3[N+](CC2)(C)C)O)OC","Plantae","Menispermaceae","Abuta grisebachii",-14.9563]
[87,"D12837",25758,"6m1v_A","Spike protein S2,Spike protein S2","COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4",4,"C00001927",0.6,1,"Tubocurarine(+)-Tubocurarine","C37H41N2O6",609.2965,"57-95-4","JFJZZMVDLULRGK-ZTMACLEXNA-O","InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1/t28-,29+/m0/s1","c1c(c(c2c3c1CC[N+]([C@@H]3Cc1cc(c(cc1)O)Oc1c(cc3CCN([C@@H](Cc4ccc(cc4)O2)c3c1)C)OC)(C)C)O)OC","-","-","Chondodendron tomentosum",-14.1975]
[88,"D12837",25758,"6m1v_A","Spike protein S2,Spike protein S2","COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4",4,"C00028699",0.6,0.863014,"N-Methylfangchinoline(+)-2-N-Methylfangchinoline","C38H43N2O6",623.3121,"132160-49-7","WMLUIAYRBBKAJC-REMWNZQGNA-O","InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(43-5)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)42-4)18-30-36-26(14-16-40(30,2)3)21-35(44-6)37(41)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/p+1/t29-,30-/m0/s1","c12ccc(c(c1)Oc1ccc(cc1)C[C@@H]1N(CCc3c1cc(c(c3)OC)Oc1c3[C@H](C2)[N+](CCc3cc(c1O)OC)(C)C)C)OC","Plantae","Menispermaceae","Stephania tetrandra",-8.65142]
[89,"D12845",12284,"7nxa_C","Spike protein S1","COc1cc2c(ccc3cc(OC)c(OC)c(O)c23)cc1O",2,"C00015542",0.5,1,"4,7-dihydroxy-2,3,6-trimethoxyphenanthrene","C17H16O5",300.0998,"35450-72-7","RFECGRRPIZBKMD-UHFFFAOYSA-N","InChI=1S/C17H16O5/c1-20-13-8-11-9(6-12(13)18)4-5-10-7-14(21-2)17(22-3)16(19)15(10)11/h4-8,18-19H,1-3H3","c1c(c(c(c2c1ccc1c2cc(c(c1)O)OC)O)OC)OC","Plantae","Combretaceae","Combretum apiculatum",-8.45752]
[90,"D13216",4799,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","COc1ccc2c(c1)[nH]c1c(C)nccc21",1,"C00001737",0.5,1,"Harmine","C13H12N2O",212.095,"442-51-3","BXNJHAXVSOCGBA-UHFFFAOYSA-N","InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3","c12c3c([nH]c1c(ncc2)C)cc(cc3)OC","-","-","Simira rubra(Mart.)Steyerm.",-10.198]
[91,"D13227",32377,"7c53_A","Spike protein S2',pan-CoVs inhibitor EK1","COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1",4,"C00030512",0.3,1,"Indomethacin","C19H16ClNO4",357.0768,"53-86-1","CGIGDMFJXJATDK-UHFFFAOYSA-N","InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)","c1(ccc2c(c1)c(c(n2C(=O)c1ccc(cc1)Cl)C)CC(=O)O)OC","Plantae","Zingiberaceae","Alpinia officinarum",-7.63338]
[92,"D13556",4986,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","CP(O)(=O)CC[C@H](N)C(O)=O",1,"C00000797",0.5,1,"PhosphinothricinPT","C5H12NO4P",181.0504,"35597-44-5","IAJOBQBIJHVGMQ-UHFFFAOYNA-N","InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/t4-/m1/s1","C[P@@](=O)(O)CC[C@@H](N)C(=O)O","Bacteria","Streptomycetaceae","Streptomyces hygroscopicus",-5.56568]
[93,"D13700",4719,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@]2(C)[C@H]1C=CC2=O",1,"C00003218",0.5,1,"Aromaticin","C15H18O3",246.1256,"5945-42-6","OSSDUQKWVVZIGP-JGFHCSSGNA-N","InChI=1S/C15H18O3/c1-8-6-12-10(9(2)14(17)18-12)7-15(3)11(8)4-5-13(15)16/h4-5,8,10-12H,2,6-7H2,1,3H3/t8-,10-,11-,12+,15+/m1/s1","[C@H]12[C@](C[C@H]3[C@H](C[C@H]1C)OC(=O)C3=C)(C(=O)C=C2)C","Plantae","Asteraceae","Helenium aromaticum",-11.0505]
[94,"D13700",4719,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@]2(C)[C@H]1C=CC2=O",1,"C00021143",0.5,1,"Aromatin","C15H18O3",246.1256,"6754-14-9","OSSDUQKWVVZIGP-AEVCPCNQNA-N","InChI=1S/C15H18O3/c1-8-6-12-10(9(2)14(17)18-12)7-15(3)11(8)4-5-13(15)16/h4-5,8,10-12H,2,6-7H2,1,3H3/t8-,10-,11+,12-,15+/m1/s1","[C@@H]12[C@](C[C@H]3[C@@H](C[C@H]1C)OC(=O)C3=C)(C(=O)C=C2)C","Plantae","Asteraceae","Helenium aromaticum",-10.3498]
[96,"D13704",4718,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](OC(C)=O)[C@@]2(C)[C@H]1C=CC2=O",1,"C00003318",0.5,1,"Linifolin A","C17H20O5",304.1311,"5988-99-8","DCNRYQODUSSOKC-JNWBEUIENA-N","InChI=1S/C17H20O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8,11-12,14-15H,2,7H2,1,3-4H3/t8-,11-,12+,14-,15-,17+/m1/s1","[C@H]12[C@]([C@@H]([C@H]3[C@H](C[C@H]1C)OC(=O)C3=C)OC(=O)C)(C(=O)C=C2)C","Plantae","Asteraceae","Helenium scorzoneraefolia",-11.5879]
[95,"D13704",4718,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](OC(C)=O)[C@@]2(C)[C@H]1C=CC2=O",1,"C00003211",0.5,1,"Angustibalin","C17H20O5",304.1311,"10180-86-6","DCNRYQODUSSOKC-OCMUVQOCNA-N","InChI=1S/C17H20O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8,11-12,14-15H,2,7H2,1,3-4H3/t8-,11-,12-,14-,15+,17?/m1/s1","[C@H]12[C@]([C@H]([C@H]3[C@@H](C[C@H]1C)OC(=O)C3=C)OC(=O)C)(C(=O)C=C2)C","Plantae","Asteraceae","Balduina angustifolia",-11.5401]
[97,"D13704",4718,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](OC(C)=O)[C@@]2(C)[C@H]1C=CC2=O",1,"C00021120",0.5,1,"Balduilin","C17H20O5",304.1311,"6895-47-2","DCNRYQODUSSOKC-VYSHALOXNA-N","InChI=1S/C17H20O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8,11-12,14-15H,2,7H2,1,3-4H3/t8-,11+,12-,14-,15-,17+/m1/s1","[C@@H]12[C@]([C@@H]([C@H]3[C@@H](C[C@H]1C)OC(=O)C3=C)OC(=O)C)(C(=O)C=C2)C","Plantae","Asteraceae","Balduina uniflora",-11.0966]
[98,"D13704",4718,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](OC(C)=O)[C@@]2(C)[C@H]1C=CC2=O",1,"C00021118",0.5,1,"Bigelovin","C17H20O5",304.1311,"3668-14-2","DCNRYQODUSSOKC-BNDGFQIBNA-N","InChI=1S/C17H20O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8,11-12,14-15H,2,7H2,1,3-4H3/t8-,11+,12+,14-,15+,17+/m1/s1","[C@@H]12[C@]([C@H]([C@H]3[C@H](C[C@H]1C)OC(=O)C3=C)OC(=O)C)(C(=O)C=C2)C","Plantae","Asteraceae","Helenium scorzoneraefolia",-11.0932]
[99,"D13707",32070,"7c53_A","Spike protein S2',pan-CoVs inhibitor EK1","C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=CC(=O)OC2)[C@H](O)[C@H](O)[C@H]1O",4,"C00003633",0.3,1,"Ouabain","C29H44O12",584.2833,"630-60-4","LPMXVESGRSUGHW-XIWFDWHXNA-N","InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23-,24-,25+,26+,27-,28+,29-/m0/s1","C1[C@@H](C[C@@]2([C@]([C@@H]1O)([C@@H]1[C@@H](CC2)[C@@]2([C@](C[C@H]1O)([C@H](CC2)C1=CC(=O)OC1)C)O)CO)O)O[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)O)O)O","Plantae","Apocynaceae","Strophanthus gratus",-12.28335]
[100,"D13972",4143,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","C[C@H]1C[C@@H]2O[C@H]2\\C=C\\CC\\C=C(C)\\C(=O)O[C@@H](C)C[C@@H](C)[C@H](O)[C@@H](O)C(=O)C[C@@H](O)C[C@@](C)(O)\\C(C)=C\\C(=C)C1",1,"C00032703",0.5,1,"Amphidinolide BAmphidinolide B1","C32H50O8",562.3506,"110786-78-2","PYXZGBVSQBXPDQ-FOEZNMODNA-N","InChI=1S/C32H50O8/c1-19-13-20(2)15-28-27(40-28)12-10-8-9-11-21(3)31(37)39-24(6)16-22(4)29(35)30(36)26(34)17-25(33)18-32(7,38)23(5)14-19/h10-12,14,20,22,24-25,27-30,33,35-36,38H,1,8-9,13,15-18H2,2-7H3/b12-10+,21-11+,23-14+/t20-,22-,24+,25-,27+,28+,29+,30+,32-/m1/s1","C\\1=C/CC/C=C(/C(=O)O[C@H](C[C@H]([C@@H]([C@H](C(=O)C[C@H](C[C@](/C(=C/C(=C)C[C@H](C[C@H]2[C@H]1O2)C)/C)(O)C)O)O)O)C)C)\\C","Protozoa","Gymnodiniaceae","Amphidinium sp.",-17.9222]
[101,"D13982",32071,"7c53_A","Spike protein S2',pan-CoVs inhibitor EK1","C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C",4,"C00003617",0.3,1,"Digitoxin","C41H64O13",764.4347,"71-63-6","WDJUZGPOPHTGOT-WBSNBZLTNA-N","InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21+,22-,24+,25-,26+,27-,28+,29-,30+,31-,33-,34+,35+,36+,37-,38-,39-,40+,41-/m0/s1","C1[C@@H](C[C@@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)([C@H](CC2)C1=CC(=O)OC1)C)O)C)O[C@H]1C[C@H]([C@H]([C@H](O1)C)O[C@H]1O[C@H]([C@@H]([C@H](C1)O)O[C@H]1O[C@H]([C@H]([C@H](C1)O)O)C)C)O","Plantae","Plantaginaceae","Digitalis purpurea",-14.583]
[102,"D13983",32069,"7c53_A","Spike protein S2',pan-CoVs inhibitor EK1","C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C",4,"C00003618",0.3,1,"Digoxin","C41H64O14",780.4296,"20830-75-5","LTMHDMANZUZIPE-PIFRCJQCNA-N","InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21+,23+,24-,25+,26+,27-,28-,29-,30-,31+,33+,34+,35+,36-,37-,38+,39-,40-,41-/m0/s1","C1[C@@H](C[C@@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@]([C@@H](C1)O)([C@H](CC2)C1=CC(=O)OC1)C)O)C)O[C@@H]1C[C@@H]([C@H]([C@@H](O1)C)O[C@H]1O[C@@H]([C@H]([C@H](C1)O)O[C@H]1O[C@H]([C@@H]([C@H](C1)O)O)C)C)O","Plantae","Plantaginaceae","Digitalis purpurea",-14.6594]
[103,"D13986",4683,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","C[C@H]1[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@]22[C@@H](C=CC[C@H](C)C=C(C)[C@@H](O)C(=O)C=CC2=O)[C@@H]2O[C@]12C",1,"C00011307",0.5,1,"Chaetoglobosin A","C32H36N2O5",528.2624,"50335-03-0","OUMWCYMRLMEZJH-RPCJDIJRNA-N","InChI=1S/C32H36N2O5/c1-17-8-7-10-22-29-31(4,39-29)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(38)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-14,16-17,19,22,24,27-29,33,37H,8,15H2,1-4H3,(H,34,38)/b10-7+,13-12+,18-14+/t17-,19-,22-,24-,27-,28+,29-,31+,32-/m0/s1","c1c2c(ccc1)c(c[nH]2)C[C@@H]1NC(=O)[C@@]23C(=O)/C=C/C(=O)[C@@H](/C(=C/[C@H](C/C=C/[C@H]3[C@H]3[C@@]([C@H]([C@@H]12)C)(O3)C)C)/C)O","Fungi","Trichocomaceae","Penicillium expansum",-18.7257]
[104,"D13991",4086,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1",1,"C00032469",0.5,1,"Uzarigenin","C23H34O4",374.2457,"466-09-1","XZTUSOXSLKTKJQ-ZTAOAYJRNA-N","InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16-,17+,18-,19+,21-,22+,23-/m0/s1","O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@@]1(CC[C@@H]2C1=CC(=O)OC1)O)C)C","Plantae","Apocynaceae","Nerium odorum",-15.0216]
[105,"D13993",4116,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","C[C@]12[C@@H]3CC[C@@H](O3)[C@@]1(C)C(=O)OC2=O",1,"C00010979",0.5,1,"Cantharidin","C10H12O4",196.0736,"56-25-7","DHZBEENLJMYSHQ-XCVPVQRUNA-N","InChI=1S/C10H12O4/c1-9-5-3-4-6(13-5)10(9,2)8(12)14-7(9)11/h5-6H,3-4H2,1-2H3/t5-,6+,9+,10-","[C@H]12[C@@]3([C@]([C@H](CC1)O2)(C(=O)OC3=O)C)C","-","-","Mylabris Phalerata",-9.04942]
[106,"D14005",25440,"7e88_L","Spike protein S1","C\\C(CCC1=C(C)CCCC1(C)C)=C/CCC1=CC[C@@H](O[C@H]1O)C1=CC(=O)O[C@H]1O",2,"C00039732",0.3,1,"Manoalide","C25H36O5",416.2563,"75088-80-1","FGJIDQWRRLDGDB-BWRIYVACNA-N","InChI=1S/C25H36O5/c1-16(10-12-20-17(2)8-6-14-25(20,3)4)7-5-9-18-11-13-21(29-23(18)27)19-15-22(26)30-24(19)28/h7,11,15,21,23-24,27-28H,5-6,8-10,12-14H2,1-4H3/b16-7+/t21-,23-,24-/m1/s1","C1(=CC[C@@H](O[C@H]1O)C1=CC(=O)O[C@H]1O)CC/C=C(/CCC1=C(CCCC1(C)C)C)\\C","-","-","Luffariella variabilis",18.11708]
[107,"D14570",3814,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","Cc1nccc2c3ccccc3[nH]c12",1,"C00001736",0.5,1,"1-Methyl-beta-carbolineHarmanHarmaneIndoterLocuturinZygofabagine","C12H10N2",182.0844,"486-84-0","PSFDQSOCUJVVGF-UHFFFAOYSA-N","InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3","c12c3c([nH]c1c(ncc2)C)cccc3","-","-","Simira rubra(Mart.)Steyerm.",-9.08598]
[108,"D14869",13521,"6zfo_A","Spike glycoprotein","Cn1c2nc[nH]c2c(=O)n(C)c1=O",2,"C00001510",0.4,1,"Theophylline","C7H8N4O2",180.0647,"58-55-9","ZFXYFBGIUFBOJW-UHFFFAOYSA-N","InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)","n1(c(=O)n(c2c(c1=O)[nH]cn2)C)C","-","-","Herreania sp.",-5.89931]
[109,"D14956",190,"6lzg_B","Spike protein S1","Cn1cnc2n(C)c(=O)n(C)c(=O)c12",2,"C00001492",0.3,1,"CaffeineCaffein","C8H10N4O2",194.0804,21399,"RYYVLZVUVIJVGH-UHFFFAOYSA-N","InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3","n1(c(=O)n(c2c(c1=O)n(cn2)C)C)C","-","-","Scurrura atropurpurea",-8.33392]
[111,"D15804",3449,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","N[C@@H](CCC(O)=O)C(O)=O",1,"C00001358",0.5,1,"L-Glutamic acidL-Glutamate","C5H9NO4",147.0532,"56-86-0","WHUUTDBJXJRKMK-YEQUQEJONA-N","InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1","[C@H](C(=O)O)(N)CCC(=O)O","-","-","Paraburkholderia phymatum",-5.64869]
[110,"D15804",3449,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","N[C@@H](CCC(O)=O)C(O)=O",1,"C00001358",0.5,1,"L-Glutamic acidL-Glutamate","C5H9NO4",147.0532,"56-86-0","WHUUTDBJXJRKMK-YEQUQEJONA-N","InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1","[C@H](C(=O)O)(N)CCC(=O)O","-","-","Paraburkholderia phymatum",-5.64048]
[112,"D15804",3449,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","N[C@@H](CCC(O)=O)C(O)=O",1,"C00019577",0.5,1,"D-GlutamateD-Glutamic acidD-Glutaminic acidD-2-Aminoglutaric acid","C5H9NO4",147.0532,"6893-26-1","WHUUTDBJXJRKMK-YEQUQEJONA-N","InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1","C(=O)(CC[C@H](C(=O)O)N)O","Plantae","Fabaceae","Pisum sativum",-5.45545]
[113,"D15804",3449,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","N[C@@H](CCC(O)=O)C(O)=O",1,"C00019577",0.5,1,"D-GlutamateD-Glutamic acidD-Glutaminic acidD-2-Aminoglutaric acid","C5H9NO4",147.0532,"6893-26-1","WHUUTDBJXJRKMK-YEQUQEJONA-N","InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1","C(=O)(CC[C@H](C(=O)O)N)O","Plantae","Fabaceae","Pisum sativum",-5.45121]
[114,"D15834",4989,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","N[C@@H](CCP(O)=O)C(O)=O",1,"C00000795",0.5,1,"PhosphinoalaninePAL","C4H10NO4P",167.0347,null,"IDBRULKICVRMNG-UHFFFAOYNA-N","InChI=1S/C4H10NO4P/c5-3(4(6)7)1-2-10(8)9/h3,10H,1-2,5H2,(H,6,7)(H,8,9)/t3-/m0/s1","[P@H](=O)(O)CC[C@H](N)C(=O)O","Bacteria","Streptomycetaceae","Streptomyces hygroscopicus",-5.50046]
[115,"D15836",3448,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","N[C@@H](COP(O)(O)=O)C(O)=O",1,"C00007287",0.5,1,"3-Phosphoserine","C3H8NO6P",185.0089,"407-41-0","BZQFBWGGLXLEPQ-UHFFFAOYNA-N","InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1","OP(=O)(OC[C@@H](C(=O)O)N)O","Plantae","Cruciferae","Arabidopsis thaliana",-6.10019]
[116,"D15847",3693,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O",1,"C00001391",0.5,1,"Quisqualic acid","C5H7N3O5",189.0386,"52809-07-1","ASNFTDCKZKHJSW-RUOZJJLTNA-N","InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1","[C@H](C(=O)O)(N)Cn1c(=O)[nH]c(=O)o1","Plantae","Combretaceae","Quisqualis indica",-7.25762]
[118,"D15861",4984,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","N[C@H](CCC(O)=O)C(O)=O",1,"C00001358",0.5,1,"L-Glutamic acidL-Glutamate","C5H9NO4",147.0532,"56-86-0","WHUUTDBJXJRKMK-YEQUQEJONA-N","InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1","[C@H](C(=O)O)(N)CCC(=O)O","-","-","Paraburkholderia phymatum",-5.64869]
[117,"D15861",4984,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","N[C@H](CCC(O)=O)C(O)=O",1,"C00001358",0.5,1,"L-Glutamic acidL-Glutamate","C5H9NO4",147.0532,"56-86-0","WHUUTDBJXJRKMK-YEQUQEJONA-N","InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1","[C@H](C(=O)O)(N)CCC(=O)O","-","-","Paraburkholderia phymatum",-5.64048]
[119,"D15861",4984,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","N[C@H](CCC(O)=O)C(O)=O",1,"C00019577",0.5,1,"D-GlutamateD-Glutamic acidD-Glutaminic acidD-2-Aminoglutaric acid","C5H9NO4",147.0532,"6893-26-1","WHUUTDBJXJRKMK-YEQUQEJONA-N","InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1","C(=O)(CC[C@H](C(=O)O)N)O","Plantae","Fabaceae","Pisum sativum",-5.45545]
[120,"D15861",4984,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","N[C@H](CCC(O)=O)C(O)=O",1,"C00019577",0.5,1,"D-GlutamateD-Glutamic acidD-Glutaminic acidD-2-Aminoglutaric acid","C5H9NO4",147.0532,"6893-26-1","WHUUTDBJXJRKMK-YEQUQEJONA-N","InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1","C(=O)(CC[C@H](C(=O)O)N)O","Plantae","Fabaceae","Pisum sativum",-5.45121]
[121,"D15930",12174,"7nxa_C","Spike protein S1","Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1",2,"C00042440",0.5,1,"Cytidine","C9H13N3O5",243.0855,"65-46-3","UHDGCWIWMRVCDJ-NHBCCFCANA-N","InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m0/s1","n1c(ccn(c1=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)CO)N","-","-","FOOD SAKE",-6.95777]
[122,"D16218",12214,"7nxa_C","Spike protein S1","O=C(NCCc1ccccc1)c1ccc2OCCOc2c1",2,"C00032054",0.5,0.85,"Nantoamide","C16H15NO3",269.1052,"349114-09-6","KBJGLIJMWJNSKP-UHFFFAOYSA-N","InChI=1S/C16H15NO3/c18-16(17-9-8-12-4-2-1-3-5-12)13-6-7-14-15(10-13)20-11-19-14/h1-7,10H,8-9,11H2,(H,17,18)","c1(ccc2c(c1)OCO2)C(=O)NCCc1ccccc1","Plantae","Begoniaceae","Begonia nantoensis",-7.94293]
[123,"D16291",31420,"7c53_A","Spike protein S2',pan-CoVs inhibitor EK1","O=C1Nc2ccccc2\\C1=C1\\Nc2ccccc2C1=O",4,"C00026982",0.3,1,"IndirubinCouroupitine BIndigo redIndigopurpurin","C16H10N2O2",262.0742,"479-41-4","CRDNMYFJWFXOCH-BUHFOSPRSA-N","InChI=1S/C16H10N2O2/c19-15-10-6-2-4-8-12(10)17-14(15)13-9-5-1-3-7-11(9)18-16(13)20/h1-8,17H,(H,18,20)/b14-13+","c1ccc2c(c1)NC(=O)/C/2=C\\1/Nc2c(C1=O)cccc2","-","-","Cephalanceropsis gracilis",-7.55967]
[124,"D16690",31628,"7c53_A","Spike protein S2',pan-CoVs inhibitor EK1","OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O",4,"C00002035",0.3,1,"1-Deoxymannojirimycin(-)-Deoxymannojirimycin1-Deoxymannojirimycin","C6H13NO4",163.0845,"84444-90-6","LXBIFEVIBLOUGU-KIUGVBIANA-N","InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m1/s1","[C@H]1(CN[C@@H]([C@H]([C@@H]1O)O)CO)O","Plantae","Hyacinthaceae","Hyacinthus orientalis",-6.57306]
[125,"D16690",31628,"7c53_A","Spike protein S2',pan-CoVs inhibitor EK1","OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O",4,"C00029420",0.3,1,"(+)-1-Deoxynojirimycin1-Deoxynojirimycin","C6H13NO4",163.0845,"19130-96-2","LXBIFEVIBLOUGU-KGULGNDLNA-N","InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1","[C@H]1([C@H]([C@@H]([C@H](NC1)CO)O)O)O","-","-","Murus sp.",-4.60782]
[126,"D16690",31628,"7c53_A","Spike protein S2',pan-CoVs inhibitor EK1","OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O",4,"C00036384",0.3,0.857143,"1,4-Dideoxy-1,4-imino-D-arabinitolD-AB1","C5H11NO3",133.0739,"100937-52-8","OQEBIHBLFRADNM-MAECEALJNA-N","InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5-/m1/s1","C1[C@H]([C@@H]([C@H](N1)CO)O)O","Plantae","Myrtaceae","Eugenia spp.",-3.77987]
[129,"D16743",14414,"6lxt_A","Spike protein S2, Spike protein S2","O\\N=C1/Cc2cc(Br)c(Oc3cc(C\\C(=N/O)C(=O)N\\C=C\\c4ccc(Oc5cc(CCNC1=O)cc(Br)c5O)c(Br)c4)cc(Br)c3O)c(Br)c2",4,"C00029796",0.3,1,"Bastadin 4","C34H25Br5N4O8",1011.759,"79067-76-8","YCBNAUHIFJRIQW-YUALJMAISA-N","InChI=1S/C34H25Br5N4O8/c35-20-7-16-1-2-27(20)50-28-14-17(8-21(36)30(28)44)4-6-41-33(46)25(42-48)12-18-10-23(38)32(24(39)11-18)51-29-15-19(9-22(37)31(29)45)13-26(43-49)34(47)40-5-3-16/h1-3,5,7-11,14-15,44-45,48-49H,4,6,12-13H2,(H,40,47)(H,41,46)/b5-3-,42-25+,43-26+","c1c(c2c(cc1C/C(=N\\O)/C(=O)NCCc1cc(c(c(c1)Oc1c(cc(cc1)/C=C\\NC(=O)/C(=N/O)/Cc1cc(O2)c(c(c1)Br)O)Br)O)Br)Br)Br","-","-","Ianthella quadrangulata",-9.90409]
[130,"D16743",14414,"6lxt_A","Spike protein S2, Spike protein S2","O\\N=C1/Cc2cc(Br)c(Oc3cc(C\\C(=N/O)C(=O)N\\C=C\\c4ccc(Oc5cc(CCNC1=O)cc(Br)c5O)c(Br)c4)cc(Br)c3O)c(Br)c2",4,"C00038582",0.3,0.919355,"Bastadin 14","C34H25Br5N4O8",1011.759,"146345-73-5","HXWATZFIMWEHEG-YUALJMAISA-N","InChI=1S/C34H25Br5N4O8/c35-20-7-16-1-2-27(20)50-28-15-19(11-22(37)30(28)44)13-26(43-49)34(47)40-5-3-17-9-23(38)32(24(39)10-17)51-29-14-18(8-21(36)31(29)45)4-6-41-33(46)25(12-16)42-48/h1-3,5,7-11,14-15,44-45,48-49H,4,6,12-13H2,(H,40,47)(H,41,46)/b5-3-,42-25+,43-26-","c1c(c(c2cc1CCNC(=O)/C(=N/O)/Cc1ccc(c(c1)Br)Oc1cc(cc(c1O)Br)C/C(=N/O)/C(=O)N/C=C\\c1cc(c(O2)c(c1)Br)Br)O)Br","-","-","Psammaplysilla purpurea",-9.71459]
[127,"D16743",14414,"6lxt_A","Spike protein S2, Spike protein S2","O\\N=C1/Cc2cc(Br)c(Oc3cc(C\\C(=N/O)C(=O)N\\C=C\\c4ccc(Oc5cc(CCNC1=O)cc(Br)c5O)c(Br)c4)cc(Br)c3O)c(Br)c2",4,"C00029799",0.3,0.918033,"Bastadin 7","C34H26Br4N4O8",933.8484,"79067-73-5","ZDBNBLMYAGHTJD-AFUCTYPMSA-N","InChI=1S/C34H26Br4N4O8/c35-21-9-17-1-3-27(21)49-29-15-19(11-23(37)31(29)43)6-8-40-33(45)25(41-47)13-18-2-4-28(22(36)10-18)50-30-16-20(12-24(38)32(30)44)14-26(42-48)34(46)39-7-5-17/h1-5,7,9-12,15-16,43-44,47-48H,6,8,13-14H2,(H,39,46)(H,40,45)/b7-5-,41-25-,42-26+","c1cc2c(cc1C/C(=N/O)/C(=O)NCCc1cc(c(c(c1)Oc1c(cc(cc1)/C=C\\NC(=O)/C(=N/O)/Cc1cc(O2)c(c(c1)Br)O)Br)O)Br)Br","-","-","Ianthella quadrangulata",-9.39292]
[128,"D16743",14414,"6lxt_A","Spike protein S2, Spike protein S2","O\\N=C1/Cc2cc(Br)c(Oc3cc(C\\C(=N/O)C(=O)N\\C=C\\c4ccc(Oc5cc(CCNC1=O)cc(Br)c5O)c(Br)c4)cc(Br)c3O)c(Br)c2",4,"C00029792",0.3,0.892308,"Bastadin 11","C34H26Br4N4O8",933.8484,"127687-09-6","RBCRIVNEAVWDIU-AFUCTYPMSA-N","InChI=1S/C34H26Br4N4O8/c35-21-9-17-2-4-28(21)49-29-15-18(1-3-27(29)43)6-8-40-33(45)25(41-47)13-19-11-23(37)32(24(38)12-19)50-30-16-20(10-22(36)31(30)44)14-26(42-48)34(46)39-7-5-17/h1-5,7,9-12,15-16,43-44,47-48H,6,8,13-14H2,(H,39,46)(H,40,45)/b7-5-,41-25-,42-26+","c1c(c2c(cc1C/C(=N/O)/C(=O)NCCc1ccc(c(c1)Oc1c(cc(cc1)/C=C\\NC(=O)/C(=N/O)/Cc1cc(O2)c(c(c1)Br)O)Br)O)Br)Br","-","-","Ianthella basta",-9.01879]
[139,"D16771",32158,"7c53_A","Spike protein S2',pan-CoVs inhibitor EK1","Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1",4,"C00008889",0.3,0.87234,"Epigallocatechin 3,4',-di-O-gallate","C29H22O15",610.0959,"89013-67-2","LPOACLRSLAMIRP-MKNUCDGGNA-N","InChI=1S/C29H22O15/c30-13-7-15(31)14-9-23(43-28(40)11-3-16(32)24(38)17(33)4-11)26(42-22(14)8-13)10-1-20(36)27(21(37)2-10)44-29(41)12-5-18(34)25(39)19(35)6-12/h1-8,23,26,30-39H,9H2/t23-,26-/m1/s1","c1(cc(c2c(c1)O[C@@H]([C@@H](C2)OC(=O)c1cc(c(c(c1)O)O)O)c1cc(c(c(c1)O)OC(=O)c1cc(c(c(c1)O)O)O)O)O)O","Plantae","Theaceae","Thea sinensis",-10.0652]
[137,"D16771",32158,"7c53_A","Spike protein S2',pan-CoVs inhibitor EK1","Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1",4,"C00008888",0.3,0.87234,"Epigallocatechin 3,3',-di-O-gallate","C29H22O15",610.0959,"89013-66-1","LGGSDHMXURUIDJ-AACMFKIINA-N","InChI=1S/C29H22O15/c30-13-7-15(31)14-9-23(44-29(41)12-4-18(34)25(38)19(35)5-12)27(42-21(14)8-13)10-1-20(36)26(39)22(6-10)43-28(40)11-2-16(32)24(37)17(33)3-11/h1-8,23,27,30-39H,9H2/t23-,27-/m1/s1","c1(cc(c2c(c1)O[C@@H]([C@@H](C2)OC(=O)c1cc(c(c(c1)O)O)O)c1cc(c(c(c1)OC(=O)c1cc(c(c(c1)O)O)O)O)O)O)O","Plantae","Theaceae","Thea sinensis",-9.82722]
[135,"D16771",32158,"7c53_A","Spike protein S2',pan-CoVs inhibitor EK1","Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1",4,"C00008868",0.3,0.851064,"ent-Epicatechin 3-O-gallate","C22H18O10",442.09,"17431-25-3","LSHVYAFMTMFKBA-VCZXBEBONA-N","InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m0/s1","c1(cc(c2c(c1)O[C@H]([C@H](C2)OC(=O)c1cc(c(c(c1)O)O)O)c1ccc(c(c1)O)O)O)O","Plantae","Malpighiaceae","Byrsonima crassifolia",-9.18056]
[138,"D16771",32158,"7c53_A","Spike protein S2',pan-CoVs inhibitor EK1","Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1",4,"C00008865",0.3,0.851064,"Catechin 3-O-gallate","C22H18O10",442.09,"25615-05-8","LSHVYAFMTMFKBA-LMPOMZQGNA-N","InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m0/s1","c1(cc(c2c(c1)O[C@@H]([C@H](C2)OC(=O)c1cc(c(c(c1)O)O)O)c1ccc(c(c1)O)O)O)O","Plantae","Saxifragaceae","Bergenia crassifolia",-9.17623]
[133,"D16771",32158,"7c53_A","Spike protein S2',pan-CoVs inhibitor EK1","Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1",4,"C00008867",0.3,0.851064,"ent-Catechin 3-O-gallate","C22H18O10",442.09,"130405-40-2","LSHVYAFMTMFKBA-LMPOMZQGNA-N","InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m1/s1","c1(cc(c2c(c1)O[C@H]([C@@H](C2)OC(=O)c1cc(c(c(c1)O)O)O)c1ccc(c(c1)O)O)O)O","Plantae","Polygonaceae","Polygonum multiflorum",-9.17545]
[132,"D16771",32158,"7c53_A","Spike protein S2',pan-CoVs inhibitor EK1","Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1",4,"C00008866",0.3,0.851064,"(-)-Epicatechin 3-O-gallate(-)-Epicatechin gallate","C22H18O10",442.09,"1257-08-5","LSHVYAFMTMFKBA-VCZXBEBONA-N","InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1","c1(cc(c2c(c1)O[C@@H]([C@@H](C2)OC(=O)c1cc(c(c(c1)O)O)O)c1ccc(c(c1)O)O)O)O","Plantae","Vitaceae","Vitis vinifera",-9.17508]
[136,"D16771",32158,"7c53_A","Spike protein S2',pan-CoVs inhibitor EK1","Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1",4,"C00008882",0.3,1,"Gallocatechin 3-O-gallateGallocatechin gallate","C22H18O11",458.0849,"5127-64-0","WMBWREPUVVBILR-DBHKEIOZNA-N","InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m0/s1","c1(cc(c2c(c1)O[C@@H]([C@H](C2)OC(=O)c1cc(c(c(c1)O)O)O)c1cc(c(c(c1)O)O)O)O)O","Plantae","Vitaceae","Vitis vinifera",-9.17151]
[131,"D16771",32158,"7c53_A","Spike protein S2',pan-CoVs inhibitor EK1","Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1",4,"C00000958",0.3,1,"epi-Gallocatechin 3-O-gallateEpigallocatechin gallate(-)-Epigallocatechin gallate(2R-cis)-3,4-Dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester 3,4,5-trihydroxybenzoic acid","C22H18O11",458.0849,"989-51-5","WMBWREPUVVBILR-PUUMMNGONA-N","InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1","c1(cc(c2c(c1)O[C@@H]([C@@H](C2)OC(=O)c1cc(c(c(c1)O)O)O)c1cc(c(c(c1)O)O)O)O)O","Plantae","Vitaceae","Vitis vinifera",-9.02736]
[134,"D16771",32158,"7c53_A","Spike protein S2',pan-CoVs inhibitor EK1","Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1",4,"C00008883",0.3,0.854167,"Epigallocatechin 3-O-(3-O-methylgallate)","C23H20O11",472.1006,"83104-87-4","WVRDOLPMKOCJRJ-DMCKPQHPNA-N","InChI=1S/C23H20O11/c1-32-18-5-10(4-16(28)21(18)30)23(31)34-19-8-12-13(25)6-11(24)7-17(12)33-22(19)9-2-14(26)20(29)15(27)3-9/h2-7,19,22,24-30H,8H2,1H3/t19-,22-/m1/s1","c1(cc(c2c(c1)O[C@@H]([C@@H](C2)OC(=O)c1cc(c(c(c1)OC)O)O)c1cc(c(c(c1)O)O)O)O)O","Plantae","Theaceae","Thea sinensis",-8.85034]
[140,"D16790",32224,"7c53_A","Spike protein S2',pan-CoVs inhibitor EK1","Oc1ccc(\\C=C\\C(=O)OCCc2ccccc2)cc1O",4,"C00002766",0.3,1,"Phenetyl caffeate","C17H16O4",284.1049,"104594-70-9","SWUARLUWKZWEBQ-VQHVLOKHSA-N","InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+","c1(c(ccc(c1)/C=C/C(=O)OCCc1ccccc1)O)O","Plantae","Salicaceae","Populus spp.",-7.24112]
[141,"D16791",4399,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","Oc1ccc(\\C=C\\C(=O)c2ccc(O)cc2O)cc1",1,"C00006925",0.5,1,"Isoliquiritigenin","C15H12O4",256.0736,"961-29-5","DXDRHHKMWQZJHT-FPYGCLRLSA-N","InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+","c1(cc(c(cc1)C(=O)/C=C/c1ccc(cc1)O)O)O","Plantae","Salicaceae","Salix daphnoides",-10.1842]
[142,"D16791",4399,"7e7b_A","Spike glycoprotein, Collagen alpha-1(l) chain","Oc1ccc(\\C=C\\C(=O)c2ccc(O)cc2O)cc1",1,"C00035173",0.5,1,"4,2',4'-Trihydroxychalcone","C15H12O4",256.0736,"13745-20-5","DXDRHHKMWQZJHT-FPYGCLRLSA-N","InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+","c1(/C=C/C(=O)c2c(cc(cc2)O)O)ccc(cc1)O","Plantae","Moraceae","Dorstenia prorepens",-9.636]

{"sheet":"bioavailability","index":4,"n_rows":117,"n_cols":9,"rows_kept":117,"merged":[[10,4,10,8],[66,4,66,8],[67,4,67,8],[97,4,97,8],[98,4,98,8],[102,4,102,8],[107,4,107,8],[111,4,111,8]]}
["Table S5. Complete result of secondary metabolite selection"]
["Cluster","CID","Name","BE","MW","LV","BAS","Radar","Selection"]
[1,"C00011307","Chaetoglobosin A",-18.72568,528.64,1,0.55,"╳","–"]
[1,"C00032703","Amphidinolide B; Amphidinolide B1",-17.92222,562.73,1,0.55,"╳","–"]
[1,"C00003684","Cucurbitacin C",-17.69174,560.72,1,0.55,"╳","–"]
[1,"C00003683","Cucurbitacin B",-17.65036,558.7,1,0.55,"╳","–"]
[1,"C00035257","Chichipegenin",-17.59249,474.72,1,0.55,"╳","–"]
[1,"C00001835","Cephaeline",-15.5038,466.61,0,0.55,"◯","Selected"]
[1,"C00001849","Emetine",-15.1207,480.64,0,0.55,"◯","Selected"]
[1,"C00032469","Uzarigenin",-15.0216,374.51,0,0.55,"◯","Selected"]
[1,"C00039897","Okadaic acid",-14.4447,"Skipped (SMILES too long)"]
[1,"C00028778","Oscillamide Y",-13.3712,857.99,3,0.17,"╳","–"]
[1,"C00031597","Anabaenopeptin B",-12.9268,836.98,3,0.17,"╳","–"]
[1,"C00027845","Anabaenopeptin F",-12.9232,851,3,0.17,"╳","–"]
[1,"C00051992","9-O-Demethylcephaeline",-11.79079,452.59,0,0.55,"◯","Selected"]
[1,"C00003318","Linifolin A",-11.58786,304.34,0,0.55,"◯","Selected"]
[1,"C00027245","10-O-Demethylcephaeline; (-)-10-Demethylcephaeline",-11.54692,452.59,0,0.55,"◯","Selected"]
[1,"C00003211","Angustibalin",-11.54012,304.34,0,0.55,"◯","Selected"]
[1,"C00044486","7'-O-Demethylisocephaeline; (-)-7'-O-Demethylisocephaeline",-11.49511,452.59,0,0.55,"◯","Selected"]
[1,"C00038322","7'-O-Demethylcephaeline",-11.186,452.59,0,0.55,"◯","Selected"]
[1,"C00021120","Balduilin",-11.09658,304.34,0,0.55,"◯","Selected"]
[1,"C00021118","Bigelovin",-11.09322,304.34,0,0.55,"◯","Selected"]
[1,"C00003218","Aromaticin",-11.05052,246.3,0,0.55,"◯","Selected"]
[1,"C00027846","Anabaenopeptin G",-11.0444,909.08,3,0.17,"╳","–"]
[1,"C00027384","Isocephaeline",-10.5238,466.61,0,0.55,"◯","Selected"]
[1,"C00021143","Aromatin",-10.34984,246.3,0,0.55,"◯","Selected"]
[1,"C00001737","Harmine",-10.198,212.25,0,0.55,"╳","–"]
[1,"C00006925","Isoliquiritigenin",-10.18423,256.25,0,0.55,"╳","–"]
[1,"C00035173","4,2',4'-Trihydroxychalcone",-9.636,256.25,0,0.55,"╳","–"]
[1,"C00046254","Oscillamide C",-9.50253,957.13,3,0.17,"╳","–"]
[1,"C00001736","1-Methyl-beta-carboline; Harman; Harmane; Indoter; Locuturin; Zygofabagine",-9.08598,182.22,0,0.55,"╳","–"]
[1,"C00010979","Cantharidin",-9.04942,196.2,0,0.55,"◯","Selected"]
[1,"C00001224","Linoleic acid; (Z, Z)-9,12-Octadecadienoic acid",-8.99523,280.45,1,0.85,"╳","–"]
[1,"C00001240","Vaccenic acid",-8.92586,282.46,1,0.85,"╳","–"]
[1,"C00001217","Erucic acid; cis-13-Docosenoic acid",-8.71942,338.57,1,0.85,"╳","–"]
[1,"C00051813","Dihydro-beta-carboline",-8.6791,184.24,0,0.55,"◯","Selected"]
[1,"C00001234","Palmitoleic acid; (Z)-Palmitoleic acid; cis-Palmitoleic acid",-8.54643,254.41,0,0.85,"╳","–"]
[1,"C00001232","Oleic acid; (Z)-9-Octadecenoic acid",-8.29108,282.46,1,0.85,"╳","–"]
[1,"C00001235","Petroselinic acid",-8.26308,282.46,1,0.85,"╳","–"]
[1,"C00001229","Myristoleic acid",-7.53717,226.36,0,0.85,"╳","–"]
[1,"C00035628","Gondoic acid",-7.36246,310.51,1,0.85,"╳","–"]
[1,"C00050972","Isooleic acid; trans-10-Octadecenoic acid",-7.33308,282.46,1,0.85,"╳","–"]
[1,"C00000347","cis-11-Octadecanoic acid; cis-vaccenic acid",-7.3018,282.46,1,0.85,"╳","–"]
[1,"C00036669","9,12-Octadecadienoic acid",-7.26076,280.45,1,0.85,"╳","–"]
[1,"C00001391","Quisqualic acid",-7.25762,189.13,0,0.55,"╳","–"]
[1,"C00007424","cis-10-Pentadecenoic acid",-7.21682,240.38,0,0.85,"╳","–"]
[1,"C00031853","Hexadecanoylpyrrolidine; 1-Hexadecanoylpyrrolidine",-7.04543,309.53,1,0.55,"╳","–"]
[1,"C00007287","3-Phosphoserine",-6.10019,185.07,0,0.56,"╳","–"]
[1,"C00001358","L-Glutamic acid; L-Glutamate",-5.64869,147.13,0,0.56,"╳","–"]
[1,"C00000797","Phosphinothricin; PT",-5.56568,181.13,0,0.55,"╳","–"]
[1,"C00000795","Phosphinoalanine; PAL",-5.50046,167.1,0,0.55,"╳","–"]
[1,"C00019577","D-Glutamate; D-Glutamic acid; D-Glutaminic acid; D-2-Aminoglutaric acid",-5.45545,147.13,0,0.56,"╳","–"]
[2,"C00003923","5,6,2’,6’-Tetrahydroxy-7,8-dimethoxyflavone",-10.17896,346.29,0,0.55,"╳","–"]
[2,"C00015542","4,7-dihydroxy-2,3,6-trimethoxyphenanthrene",-8.45752,300.31,0,0.55,"╳","–"]
[2,"C00001492","Caffeine; Caffein",-8.33392,194.19,0,0.55,"◯","Selected"]
[2,"C00001099","Skullcapflavone II; Neobaicalein",-8.23751,374.34,0,0.55,"╳","–"]
[2,"C00027898","Argadin",-7.95346,674.71,3,0.17,"╳","–"]
[2,"C00032054","Nantoamide",-7.94293,269.3,0,0.55,"╳","–"]
[2,"C00027138","Colchamine; Demecolcine",-7.7202,371.43,0,0.55,"◯","Selected"]
[2,"C00042440","Cytidine",-6.95777,243.22,0,0.55,"◯","Selected"]
[2,"C00015601","Argifin; FTD-0668",-6.90471,675.69,3,0.17,"╳","–"]
[2,"C00001510","Theophylline",-5.89931,180.16,0,0.55,"◯","Selected"]
[2,"C00018679","Leofungine; NSC291839; Pecilocin; Supral; Variotin",9.8948,291.39,0,0.55,"◯","–"]
[2,"C00038270","3-O-Methylfunicone",17.46065,388.37,0,0.55,"◯","–"]
[2,"C00039732","Manoalide",18.11708,416.55,0,0.55,"◯","–"]
[4,"C00001884","Macoline",-14.95631,609.73,1,0.55,"╳","–"]
[4,"C00003618","Digoxin",-14.6594,"Skipped (SMILES too long)"]
[4,"C00003617","Digitoxin",-14.583,"Skipped (SMILES too long)"]
[4,"C00001927","Tubocurarine; (+)-Tubocurarine",-14.1975,609.73,1,0.55,"╳","–"]
[4,"C00003633","Ouabain",-12.28335,584.65,3,0.17,"╳","–"]
[4,"C00008889","Epigallocatechin 3,4',-di-O-gallate",-10.06515,610.48,3,0.17,"╳","–"]
[4,"C00029796","Bastadin 4",-9.90409,1017.1,0,0.55,"╳","–"]
[4,"C00008888","Epigallocatechin 3,3',-di-O-gallate",-9.82722,610.48,3,0.17,"╳","–"]
[4,"C00038582","Bastadin 14",-9.71459,1017.1,1,0.55,"╳","–"]
[4,"C00029799","Bastadin 7",-9.39292,938.21,1,0.55,"╳","–"]
[4,"C00008868","ent-Epicatechin 3-O-gallate",-9.18056,442.37,1,0.55,"╳","–"]
[4,"C00008865","Catechin 3-O-gallate",-9.17623,442.37,1,0.55,"╳","–"]
[4,"C00008867","ent-Catechin 3-O-gallate",-9.17545,442.37,1,0.55,"╳","–"]
[4,"C00008866","(-)-Epicatechin 3-O-gallate; (-)-Epicatechin gallate",-9.17508,442.37,1,0.55,"╳","–"]
[4,"C00008882","Gallocatechin 3-O-gallate; Gallocatechin gallate",-9.17151,458.37,2,0.17,"╳","–"]
[4,"C00027661","11-Hydroxyvittatine",-9.11643,482.53,0,0.55,"◯","Selected"]
[4,"C00000958","epi-Gallocatechin 3-O-gallate; Epigallocatechin gallate; (-)-Epigallocatechin gallate; (2R-cis)-3,4-Dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester 3,4,5-trihydroxybenzoic acid",-9.02736,458.37,2,0.17,"╳","–"]
[4,"C00029792","Bastadin 11",-9.01879,938.21,0,0.55,"╳","–"]
[4,"C00018127","(+)-Staurosporine; Staurosporine; AM-2282; Antibiotic 230; Antibiotic AM 2282; CGP 39360; Staurosporin; Staurosporine",-8.91595,466.53,0,0.55,"◯","Selected"]
[4,"C00008883","Epigallocatechin 3-O-(3-O-methylgallate)",-8.85034,472.4,2,0.17,"╳","–"]
[4,"C00028699","N-Methylfangchinoline; (+)-2-N-Methylfangchinoline",-8.65142,623.76,1,0.55,"╳","–"]
[4,"C00023582","Paxilline",-8.04875,435.56,0,0.55,"◯","Selected"]
[4,"C00036672","9-Hydroxy-10-epi-ryanodine; 9alpha-Hydroxy-10-epiryanodine",-7.93772,509.55,3,0.17,"╳","–"]
[4,"C00043907","Scalaradial; (+)-Scalaradial",-7.92855,428.6,1,0.55,"╳","–"]
[4,"C00049768","12-epi-Scalaradial",-7.89983,428.6,1,0.55,"╳","–"]
[4,"C00017543","TAN 999",-7.83446,496.56,0,0.55,"◯","Selected"]
[4,"C00001661","Ryanodine",-7.7319,493.55,1,0.55,"╳","–"]
[4,"C00030512","Indomethacin",-7.63338,357.79,0,0.85,"╳","–"]
[4,"C00026982","Indirubin; Couroupitine B; Indigo red; Indigopurpurin",-7.55967,262.26,0,0.55,"╳","–"]
[4,"C00017790","Antibiotic K 252b; K 252b; KT 5556",-7.43211,453.45,0,0.56,"╳","–"]
[4,"C00002766","Phenetyl caffeate",-7.24112,284.31,0,0.55,"╳","–"]
[4,"C00039556","Kempopeptin A",-7.12915,991.14,3,0.17,"╳","–"]
[4,"C00017726","(+)-Antibiotic K 252a; (+)-Antibiotic SF 2370; Protein kinase inhibitor K252a; SF 2370",-7.02019,"Skipped (SMILES too long)"]
[4,"C00039557","Kempopeptin B",-6.61277,"Skipped (SMILES too long)"]
[4,"C00002035","1-Deoxymannojirimycin; (-)-Deoxymannojirimycin; 1-Deoxymannojirimycin",-6.57306,163.17,0,0.55,"◯","Selected"]
[4,"C00003375","Thapsigargin",-6.40439,650.75,2,0.17,"╳","–"]
[4,"C00034686","Somamide B",-6.38589,919.03,3,0.17,"╳","–"]
[4,"C00034685","Somamide A; (-)-Somamide A",-6.35349,"Skipped (SMILES too long)"]
[4,"C00039673","Lyngbyastatin 7",-6.17367,947.08,3,0.17,"╳","–"]
[4,"C00037023","Demethoxycurcumin; Curcumin II",-5.88701,338.35,0,0.55,"╳","–"]
[4,"C00033297","Monodemethoxycurcumin; p-Hydroxycinnamoyl feruloyl methane",-5.86219,338.35,0,0.55,"╳","–"]
[4,"C00020715","Thapsigargicin",-5.7448,622.7,2,0.17,"╳","–"]
[4,"C00016540","Antibiotic C 076B2a; Avermectin B2a; L 676897",-5.48708,"Skipped (SMILES too long)"]
[4,"C00015518","SB 203207",-5.19126,489.54,2,0.17,"╳","–"]
[4,"C00000446","(+)-Epijasmonic acid; 7-iso-Jasmonic acid",-5.02368,210.27,0,0.85,"◯","Selected"]
[4,"C00000218","(-)-Jasmonic acid; Jasmonic acid; trans-Jasmonic acid; 3-Oxo-2-(2Z-pentenyl)cyclotentylacetic acid",-5.02192,210.27,0,0.85,"◯","Selected"]
[4,"C00029420","(+)-1-Deoxynojirimycin; 1-Deoxynojirimycin",-4.60782,"Skipped (SMILES too long)"]
[4,"C00036384","1,4-Dideoxy-1,4-imino-D-arabinitol; D-AB1",-3.77987,133.15,0,0.55,"╳","–"]
[]
["BE","Binding Energy (kcal/mol)"]
["LV","Lipinski Violation"]
["BAS","Bioavailability Score"]