{"text_format":"3","workbook":"xlsx","n_sheets":2,"sheets":["Sheet1","Sheet1 (2)"],"read":"whole","date_system":"1900"}

{"sheet":"Sheet1","index":0,"n_rows":627,"n_cols":5,"rows_kept":627}
["molecule","cmpdname","cid","isomeric_smiles","pIC50"]
["C_001","2,4-Thiazolidinedione",5437,"C1C(=O)NC(=O)S1",6.26760624]
["C_002","Methyl acetoacetate",7757,"CC(=O)CC(=O)OC",4.721246399]
["C_003","Diethyl malonate",7761,"CCOC(=O)CC(=O)OCC",5.301029996]
["C_004","Precose",41774,"C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO",5.698970004]
["C_005","Miglustat",51634,"CCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O",5.677780705]
["C_006","(-)-Catechin",73160,"C1[C@H]([C@@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O",4.269217724]
["C_007","N-Methyldeoxynojirimycin",92381,"CN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O",6.920818754]
["C_008","5-(4-Nitrophenyl)-1,3,4-thiadiazol-2-amine",96637,"C1=CC(=CC=C1C2=NN=C(S2)N)[N+](=O)[O-]",5.638272164]
["C_009","Terphenyllin",100437,"COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)O)OC)O)C3=CC=C(C=C3)O",5.319664487]
["C_010","Butyrolactone i",123740,"CC(=CCC1=C(C=CC(=C1)C[C@@]2(C(=C(C(=O)O2)O)C3=CC=C(C=C3)O)C(=O)OC)O)C",4.848323769]
["C_011","1H-Benzotriazole, 1-benzoyl-5,6-dichloro-",155893,"C1=CC=C(C=C1)C(=O)N2C3=CC(=C(C=C3N=N2)Cl)Cl",5.431798276]
["C_012","(2r,3r,5s,6r)-2,6-Bis(hydroxymethyl)piperidine-3,4,5-triol",159496,"C([C@@H]1[C@H](C([C@H]([C@H](N1)CO)O)O)O)O",7.397940009]
["C_013","Valiolamine",174312,"C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)N",5.657577319]
["C_014","Migalastat",176077,"C1[C@@H]([C@H]([C@H]([C@H](N1)CO)O)O)O",5.823908741]
["C_015","5-(2,4-Dichlorophenyl)-1,3,4-thiadiazol-2-amine",182638,"C1=CC(=C(C=C1Cl)Cl)C2=NN=C(S2)N",5.638272164]
["C_016","3-Hydroxyterphenyllin",191796,"COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)O)OC)O)C3=CC(=C(C=C3)O)O",4.946921557]
["C_017","Valienamine",193758,"C1=C([C@H]([C@@H]([C@H]([C@H]1N)O)O)O)CO",4]
["C_018","(5,6-Dimethyl-1h-benzotriazol-1-yl)(phenyl)methanone",256338,"CC1=CC2=C(C=C1C)N(N=N2)C(=O)C3=CC=CC=C3",5.468521083]
["C_019","5-(3-Nitrophenyl)-1,3,4-thiadiazol-2-amine",256343,"C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN=C(S2)N",5.638272164]
["C_020","Miglitol",441314,"C1[C@@H]([C@H]([C@@H]([C@H](N1CCO)CO)O)O)O",5.431798276]
["C_021","Voglibose",444020,"C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)NC(CO)CO",5.886056648]
["C_022","1,4-Dideoxy-1,4-imino-d-arabinitol",451991,"C1[C@H]([C@@H]([C@H](N1)CO)O)O",4.259637311]
["C_024","1-Benzoyl-1H-benzotriazole",570059,"C1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3N=N2",5.276544328]
["C_025","5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-amine",668392,"C1=CC(=CC=C1C2=NN=C(S2)N)Cl",5.638272164]
["C_026","2-(Benzotriazol-1-yl)-1-(4-chlorophenyl)ethanone",677475,"C1=CC=C2C(=C1)N=NN2CC(=O)C3=CC=C(C=C3)Cl",5.602059991]
["C_027","Benzotriazol-1-yl-(4-bromo-phenyl)-methanone",693001,"C1=CC=C2C(=C1)N=NN2C(=O)C3=CC=C(C=C3)Br",5.494850022]
["C_028","Benzotriazol-1-yl-(4-methoxyphenyl)methanone",710644,"COC1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3N=N2",5.524328812]
["C_029","Benzotriazol-1-yl-(4-nitrophenyl)methanone",710799,"C1=CC=C2C(=C1)N=NN2C(=O)C3=CC=C(C=C3)[N+](=O)[O-]",5.527243551]
["C_030","2-(1H-1,2,3-Benzotriazol-1-yl)-1-phenylethan-1-one",761839,"C1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=N2",5.308918508]
["C_031","2-(Benzotriazol-1-yl)-1-(4-bromophenyl)ethanone",761840,"C1=CC=C2C(=C1)N=NN2CC(=O)C3=CC=C(C=C3)Br",5.554395797]
["C_032","2-Benzotriazol-1-yl-1-p-tolyl-ethanone",761841,"CC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=N2",5.320572103]
["C_033","(1H-Benzo[d][1,2,3]triazol-1-yl)(3-methyl-4-nitrophenyl)methanone",764214,"CC1=C(C=CC(=C1)C(=O)N2C3=CC=CC=C3N=N2)[N+](=O)[O-]",5.387216143]
["C_034","Benzotriazol-1-yl-(2,6-difluoro-phenyl)-methanone",772214,"C1=CC=C2C(=C1)N=NN2C(=O)C3=C(C=CC=C3F)F",5.281498311]
["C_035","1-(4-Fluorobenzoyl)-1H-benzotriazole",785793,"C1=CC=C2C(=C1)N=NN2C(=O)C3=CC=C(C=C3)F",5.549750892]
["C_036","1H-Benzotriazol-1-yl(3,4-dimethylphenyl)methanone",789010,"CC1=C(C=C(C=C1)C(=O)N2C3=CC=CC=C3N=N2)C",5.318758763]
["C_037","2-(1H-1,2,3-Benzotriazol-1-yl)-1-(4-phenylphenyl)ethan-1-one",795004,"C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CN3C4=CC=CC=C4N=N3",5.302770657]
["C_038","Benzotriazol-1-yl-(3-methylphenyl)methanone",834536,"CC1=CC(=CC=C1)C(=O)N2C3=CC=CC=C3N=N2",5.354577731]
["C_039","1-(2-Methoxybenzoyl)-1H-1,2,3-benzotriazole",898930,"COC1=CC=CC=C1C(=O)N2C3=CC=CC=C3N=N2",5.319664487]
["C_040","4-(5-Amino-[1,3,4]thiadiazol-2-yl)-phenol",936815,"C1=CC(=CC=C1C2=NN=C(S2)N)O",5.638272164]
["C_041","2-Benzotriazolyl-1-(3-nitrophenyl)ethan-1-one",2168077,"C1=CC=C2C(=C1)N=NN2CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]",5.397940009]
["C_042","(3Z)-3-[2-[4-(4-Chlorophenyl)-2-thiazolyl]hydrazono]-1H-indole-2(3H)-one",2814554,"C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=NC(=CS3)C4=CC=C(C=C4)Cl",5.27572413]
["C_043","3,3-Bis(1H-indole-3-yl)-2-indolinone",2883607,"C1=CC=C2C(=C1)C(=CN2)C3(C4=CC=CC=C4NC3=O)C5=CNC6=CC=CC=C65",5.229147988]
["C_044","5-Chloro-3,3-bis(1H-indole-3-yl)indoline-2-one",2948971,"C1=CC=C2C(=C1)C(=CN2)C3(C4=C(C=CC(=C4)Cl)NC3=O)C5=CNC6=CC=CC=C65",5.229147988]
["C_045","3,3-Bis(1-methyl-1H-indole-3-yl)-1H-indole-2(3H)-one",2949282,"CN1C=C(C2=CC=CC=C21)C3(C4=CC=CC=C4NC3=O)C5=CN(C6=CC=CC=C65)C",5.229147988]
["C_046","Chembl4470451",3438551,"CCN1C2=C(C=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4N3)C5=CC=CC=C51",6.769551079]
["C_047","2-(Benzotriazol-1-yl)-1-(4-methoxyphenyl)ethanone",3812150,"COC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=N2",5.346787486]
["C_048","Chembl4444070",3846838,"COC1=C(C=C(C=C1)Br)C2=NN=C(S2)N",5.638272164]
["C_049","(3E)-3-{(2E)-[4-(4-Methylphenyl)-1,3-thiazol-2(3H)-ylidene]hydrazinylidene}-1,3-dihydro-2H-indol-2-one",4284022,"CC1=CC=C(C=C1)C2=CSC(=N2)N=NC3=C(NC4=CC=CC=C43)O",5.27572413]
["C_050","5-(2-Nitrophenyl)-1,3,4-thiadiazol-2-amine",4351712,"C1=CC=C(C(=C1)C2=NN=C(S2)N)[N+](=O)[O-]",5.638272164]
["C_051","5-(2,3-Dimethoxy-phenyl)-[1,3,4]thiadiazol-2-ylamine",4366058,"COC1=CC=CC(=C1OC)C2=NN=C(S2)N",5.638272164]
["C_052","Chembl4465201",4596212,"CCCCCCCCCCCC(=O)N=NC1=C(NC2=CC=CC=C21)O",5.657577319]
["C_053","Chembl4466646",4936110,"CCCCOC1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3N=N2",5.251811973]
["C_054","Chembl4451791",5158729,"CC1=CC=C(C=C1)C(=O)N=NC2=C(NC3=C2C=C(C=C3)Cl)O",5.657577319]
["C_055","Quercetin",5280343,"C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O",5.107905397]
["C_056","Genistein",5280961,"C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O",5.583359493]
["C_057","alpha-Mangostin",5281650,"CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)OC)CC=C(C)C)O)C",5.244125144]
["C_058","7-Geranyloxy-1,3-dihydroxyxanthone",5317563,"CC(=CCC/C(=C/COC1=CC2=C(C=C1)OC3=CC(=CC(=C3C2=O)O)O)/C)C",4.68613278]
["C_059","7,8-Dihydroxy-4-methylcoumarin",5355836,"CC1=CC(=O)OC2=C1C=CC(=C2O)O",4.283996656]
["C_060","gamma-Mangostin",5464078,"CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)O)CC=C(C)C)O)C",5.769551079]
["C_061","beta-Mangostin",5495925,"CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C=C(C(=C3CC=C(C)C)OC)O)OC)C",4.645891561]
["C_062","9-Hydroxycalabaxanthone",5495929,"CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C4=C(C=C3O2)OC(C=C4)(C)C)O)O)OC)C",4.943095149]
["C_063","Chembl4592051",6407588,"CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5",5.552841969]
["C_064","2-[(5,6-Diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide",6411033,"C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5",5.552841969]
["C_065","Chembl4566821",6415895,"C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)F)C5=CC=CC=C5",5.552841969]
["C_066","Salacinol",6451151,"C1[C@H]([C@@H]([C@H]([S+]1C[C@H]([C@H](CO)OS(=O)(=O)[O-])O)CO)O)O",5.30980392]
["C_069","(2R,3R,5S,6R)-1-Butyl-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol",6475031,"CCCCN1[C@@H]([C@H](C([C@H]([C@H]1CO)O)O)O)CO",5.37675071]
["C_070","2,6-Bis-hydroxymethyl-1-methyl-piperidine-3,4,5-triol",6477160,"CN1[C@@H]([C@H](C([C@H]([C@H]1CO)O)O)O)CO",7.22184875]
["C_071","2-Oxo-N'-[(E)-phenylmethylidene]-2H-chromene-3-carbohydrazide",6870730,"C1=CC=C(C=C1)/C=N/NC(=O)C2=CC3=CC=CC=C3OC2=O",5.958607315]
["C_072","1,3,4-Thiadiazol-2-amine, 5-[4-(dimethylamino)phenyl]-",7479831,"CN(C)C1=CC=C(C=C1)C2=NN=C(S2)N",5.638272164]
["C_073","Chembl4515560",9689210,"C1=CC=C2C(=C1)C=C(N2)C(=O)N/N=C/C3=CC=C(C=C3)Cl",5.638272164]
["C_074","AMP-Deoxynojirimycin",9822159,"C1[C@@H]([C@H]([C@@H]([C@H](N1CCCCCOCC23CC4CC(C2)CC(C4)C3)CO)O)O)O",5.522878745]
["C_075","Methyl (2~{r})-3-(4-Hydroxyphenyl)-2-[(4-Hydroxyphenyl)methyl]-4-Oxidanyl-5-Oxidanylidene-Furan-2-Carboxylate",10405953,"COC(=O)[C@]1(C(=C(C(=O)O1)O)C2=CC=C(C=C2)O)CC3=CC=C(C=C3)O",4.069917367]
["C_076","3,3''-Dihydroxyterphenyllin",10429220,"COC1=C(C(=C(C(=C1)C2=CC(=C(C=C2)O)O)OC)O)C3=CC(=C(C=C3)O)O",4.853871964]
["C_077","2-Benzylidene-6-(4-hydroxy-benzylidene)-cyclohexanone",10589581,"C1C/C(=C\\C2=CC=CC=C2)/C(=O)/C(=C/C3=CC=C(C=C3)O)/C1",4.373659633]
["C_078","1,3,7-Trihydroxy-2,4-diisoprenylxanthone",10643491,"CC(=CCC1=C(C(=C2C(=C1O)C(=O)C3=C(O2)C=CC(=C3)O)CC=C(C)C)O)C",4.59345982]
["C_079","4-Methyl-2-pyridin-4-yl-1H-benzimidazole",10656015,"CC1=C2C(=CC=C1)NC(=N2)C3=CC=NC=C3",5.27572413]
["C_080","2-(2-Chlorophenyl)-4-methyl-1H-benzimidazole",11160865,"CC1=C2C(=CC=C1)NC(=N2)C3=CC=CC=C3Cl",5.27572413]
["C_081","4-Methyl-2-(2-nitrophenyl)-benzimidazole",11218984,"CC1=C2C(=CC=C1)NC(=N2)C3=CC=CC=C3[N+](=O)[O-]",5.27572413]
["C_082","Valibose",11630203,"C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1NC(CO)CO)O)O)O)CO",6.259637311]
["C_083","Cochinchinone A",11633740,"CC(=CCC/C(=C/CC1=C2C(=C(C(=C1O)CC=C(C)C)O)C(=O)C3=C(O2)C=CC(=C3)O)/C)C",4.759450752]
["C_084","14-Deoxy-11,12-didehydro-15-p-methoxylbenzylideneandrographolide",11640963,"C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C3=C/C(=C/C4=CC=C(C=C4)OC)/OC3=O)(C)CO)O",4.795880017]
["C_085","1-[(2S,3S)-2,3,4-Trihydroxybutyl]-3beta,4alpha-dihydroxy-5beta-(hydroxymethyl)thiolane-1-ium",11748894,"C1[C@H]([C@@H]([C@H]([S+]1C[C@H]([C@H](CO)O)O)CO)O)O",5.045757491]
["C_086","Cowanin",11754819,"CC(=CCC/C(=C/CC1=C(C(=CC2=C1C(=O)C3=C(O2)C=C(C(=C3O)CC=C(C)C)O)O)OC)/C)C",4.427128398]
["C_087","3,3-Bis(1H-indole-3-yl)-5-bromo-2-indolinone",11775074,"C1=CC=C2C(=C1)C(=CN2)C3(C4=C(C=CC(=C4)Br)NC3=O)C5=CNC6=CC=CC=C65",5.229147988]
["C_088","Chembl4473482",13397330,"C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5",5.552841969]
["C_089","Chembl4566850",14356503,"CC1=CC=C(C=C1)/C=N/NC(=O)C2=CC3=CC=CC=C3OC2=O",5.958607315]
["C_090","Chembl4165370",14356507,"COC1=CC=C(C=C1)/C=N/NC(=O)C2=CC3=CC=CC=C3OC2=O",5.958607315]
["C_091","Chembl4513806",16095414,"C1=CC=C(C=C1)C(=O)C[C@@H](C2=CC=C(C=C2)Cl)C3=CNC4=CC=CC=C43",5.366531544]
["C_092","(3S)-3-(1H-Indol-3-yl)-1,3-diphenylpropan-1-one",16095545,"C1=CC=C(C=C1)[C@H](CC(=O)C2=CC=CC=C2)C3=CNC4=CC=CC=C43",5.366531544]
["C_093","Chembl4525900",16095547,"COC1=CC=C(C=C1)[C@H](CC(=O)C2=CC=CC=C2)C3=CNC4=CC=CC=C43",5.366531544]
["C_094","15-Benzylidene-14-deoxy-11,12-didehydroandrographolide",16121613,"C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C3=C/C(=C/C4=CC=CC=C4)/OC3=O)(C)CO)O",4.236572006]
["C_095","15-(Benzo[1,3]dioxole-5-methanylidene)-14-deoxy-11,12-didehydroandrographolide",16121614,"C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C3=C/C(=C/C4=CC5=C(C=C4)OCO5)/OC3=O)(C)CO)O",4.086186148]
["C_096","Chembl4472969",16386607,"C1=CC=C2C(=C1)N=CN2C3=CC=C(C=C3)/C=C/4\\C(=O)NC(=O)S4",6.259637311]
["C_097","Chembl4466501",17603805,"C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C4=NN=C(S4)N",5.638272164]
["C_098","Chembl4468056",17603827,"C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN=C(S3)N",5.638272164]
["C_099","(1R,3S,6R)-4-Hydroxymethyl-6-octylamino-cyclohex-4-ene-1,2,3-triol",21021619,"CCCCCCCCNC1C=C(C(C(C1O)O)O)CO",4.769551079]
["C_100","2-(4-Fluorophenyl)-4-methyl-1H-1,3-benzodiazole",21682292,"CC1=C2C(=CC=C1)NC(=N2)C3=CC=C(C=C3)F",5.27572413]
["C_101","Chembl4209575",23538861,"CC(=CCOC1=CC=C(C=C1)C2=C(C=C(C(=C2O)OC)C3=CC=C(C=C3)O)OC)C",4.756961951]
["C_102","Prenylterphenyllin",23630784,"CC(=CCC1=C(C=CC(=C1)C2=C(C=C(C(=C2O)OC)C3=CC=C(C=C3)O)OC)O)C",4.590066877]
["C_103","Chembl4544393",23793555,"COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5",5.552841969]
["C_104","Chembl4435535",24796417,"C1=CC(=CC=C1/C=N/C2=NN=C(S2)C3=CC=C(C=C3)Cl)[N+](=O)[O-]",5.638272164]
["C_105","3,3-Bis(1H-indole-3-yl)-5-methyl-2-indolinone",24873940,"CC1=CC2=C(C=C1)NC(=O)C2(C3=CNC4=CC=CC=C43)C5=CNC6=CC=CC=C65",5.229147988]
["C_106","Aspernolide A",25265784,"CC1(CCC2=C(O1)C=CC(=C2)C[C@@]3(C(=C(C(=O)O3)O)C4=CC=C(C=C4)O)C(=O)OC)C",4.324863496]
["C_108","(1R,3S,6R)-6-Hexylamino-4-hydroxymethyl-cyclohex-4-ene-1,2,3-triol",44384057,"CCCCCCNC1C=C(C(C(C1O)O)O)CO",4.301029996]
["C_109","(S)-3-(2-((4Ar,6aS,7R,10aS,10bR)-3-(3-bromophenyl)-6a,10b-dimethyl-8-methylene-decahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl)ethylidene)-4-hydroxy-dihydrofuran-2(3H)-one",44411113,"C[C@@]12CC[C@@H]3[C@]([C@H]1CCC(=C)[C@H]2C/C=C/4\\[C@@H](COC4=O)O)(COC(O3)C5=CC(=CC=C5)Br)C",4]
["C_110","3-(2-((1R,4As,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-decahydronaphthalen-1-yl)vinyl)-5-(3-phenylallylidene)furan-2(5H)-one",44411422,"C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C3=C/C(=C/C=C/C4=CC=CC=C4)/OC3=O)(C)CO)O",4.236572006]
["C_111","14-Deoxy-11,12-didehydro-15-trimethoxylbenzylideneandrographolide",44437482,"C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C3=C/C(=C/C4=CC(=C(C=C4OC)OC)OC)/OC3=O)(C)CO)O",4.075720714]
["C_112","14-Deoxy-15-(p-(dimethanylamino)-benzylidene)-11,12-didehydroandrographolide",44437483,"C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C3=C/C(=C/C4=CC=C(C=C4)N(C)C)/OC3=O)(C)CO)O",4.15490196]
["C_113","14-Deoxy-11,12-didehydro-15-(-2-furanmethanylidene)-andrographolide",44437486,"C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C3=C/C(=C/C4=CC=CO4)/OC3=O)(C)CO)O",4]
["C_114","[(1R,2R,4Ar,5R,8aS)-1,4a-dimethyl-6-methylidene-5-[(E)-2-[(5E)-5-[(2E,7E)-2-methylnona-2,7-dienylidene]-2-oxofuran-3-yl]ethenyl]-2-(pyridine-3-carbonyloxy)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl pyridine-3-carboxylate",44437487,"C/C=C/CCC/C=C(\\C)/C=C/1\\C=C(C(=O)O1)/C=C/[C@@H]2C(=C)CC[C@H]3[C@]2(CC[C@H]([C@@]3(C)COC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5)C",4.552841969]
["C_115","15-Benzylidene14-deoxy-11,12-didehydro-3,19-dinicotinateandrographolide",44437488,"C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C3=C/C(=C\\C4=CC=CC=C4)/OC3=O)(C)COC(=O)C5=CN=CC=C5)OC(=O)C6=CN=CC=C6",4.795880017]
["C_116","[(1R,2R,4Ar,5R,8aS)-5-[(E)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-2-oxofuran-3-yl]ethenyl]-1,4a-dimethyl-6-methylidene-2-(pyridine-3-carbonyloxy)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl pyridine-3-carboxylate",44437489,"C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C3=C/C(=C\\C4=CC=C(C=C4)Cl)/OC3=O)(C)COC(=O)C5=CN=CC=C5)OC(=O)C6=CN=CC=C6",5.22184875]
["C_117","[(1R,2R,4Ar,5R,8aS)-5-[(E)-2-[(5E)-5-[(3-bromophenyl)methylidene]-2-oxofuran-3-yl]ethenyl]-1,4a-dimethyl-6-methylidene-2-(pyridine-3-carbonyloxy)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl pyridine-3-carboxylate",44437490,"C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C3=C/C(=C\\C4=CC(=CC=C4)Br)/OC3=O)(C)COC(=O)C5=CN=CC=C5)OC(=O)C6=CN=CC=C6",4.853871964]
["C_118","[(1R,2R,4Ar,5R,8aS)-5-[(E)-2-[(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-oxofuran-3-yl]ethenyl]-1,4a-dimethyl-6-methylidene-2-(pyridine-3-carbonyloxy)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl pyridine-3-carboxylate",44437491,"C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C3=C/C(=C\\C4=CC=C(C=C4)N(C)C)/OC3=O)(C)COC(=O)C5=CN=CC=C5)OC(=O)C6=CN=CC=C6",4.602059991]
["C_119","[(1R,2R,4Ar,5R,8aS)-5-[(E)-2-[(5Z)-5-(furan-2-ylmethylidene)-2-oxofuran-3-yl]ethenyl]-1,4a-dimethyl-6-methylidene-2-(pyridine-3-carbonyloxy)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl pyridine-3-carboxylate",44437492,"C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C3=C/C(=C/C4=CC=CO4)/OC3=O)(C)COC(=O)C5=CN=CC=C5)OC(=O)C6=CN=CC=C6",4.443697499]
["C_120","[(1R,2R,4Ar,5R,8aS)-5-[(E)-2-[(5E)-5-[(4-methoxyphenyl)methylidene]-2-oxofuran-3-yl]ethenyl]-1,4a-dimethyl-6-methylidene-2-(pyridine-3-carbonyloxy)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl pyridine-3-carboxylate",44437493,"C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C3=C/C(=C\\C4=CC=C(C=C4)OC)/OC3=O)(C)COC(=O)C5=CN=CC=C5)OC(=O)C6=CN=CC=C6",4.958607315]
["C_122","Chembl4214309",51042112,"CC(=CCC/C(=C/COC1=C(C(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)O)O)CC=C(C)C)/C)C",4.54668166]
["C_123","Chembl4549420",53375223,"C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)N/N=C/C3=CC=CC=C3[N+](=O)[O-]",5.958607315]
["C_124","(2R,3S,4S)-1-[(2S,3S)-3-Ethoxy-2,4-dihydroxybutyl]-2-(hydroxymethyl)thiolan-1-ium-3,4-diol;chloride",54580834,"CCO[C@@H](CO)[C@@H](C[S+]1C[C@H]([C@@H]([C@H]1CO)O)O)O.[Cl-]",6.017728767]
["C_125","(5S,8R,9S,10S,13S,14S,17S)-17-Hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one;(8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one",54584900,"C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4[C@@]3(CCC(=O)C4)C",4]
["C_126","(2R,3S,4S)-1-[(2S,3S)-2,4-Dihydroxy-3-tridecoxybutyl]-2-(hydroxymethyl)thiolan-1-ium-3,4-diol;chloride",54586701,"CCCCCCCCCCCCCO[C@@H](CO)[C@@H](C[S+]1C[C@H]([C@@H]([C@H]1CO)O)O)O.[Cl-]",5.958607315]
["C_127","(2R,3S,4S)-1-[(2S,3S)-2,4-Dihydroxy-3-methoxybutyl]-2-(hydroxymethyl)thiolan-1-ium-3,4-diol;chloride",54587740,"CO[C@@H](CO)[C@@H](C[S+]1C[C@H]([C@@H]([C@H]1CO)O)O)O.[Cl-]",5.698970004]
["C_128","Chembl4579201",54941384,"CC1=C2C(=CC=C1)NC(=N2)C3=CC(=CC=C3)O",5.27572413]
["C_129","2-(2-Fluorophenyl)-4-methyl-1h-benzimidazole",59018257,"CC1=C2C(=CC=C1)NC(=N2)C3=CC=CC=C3F",5.27572413]
["C_130","2-(4-Chlorophenyl)-4-methyl-1H-benzimidazole",59018388,"CC1=C2C(=CC=C1)NC(=N2)C3=CC=C(C=C3)Cl",5.27572413]
["C_131","(2R,3S,4S)-1-[(2S,3S)-2,4-Dihydroxy-3-[(2-nitrophenyl)methoxy]butyl]-2-(hydroxymethyl)thiolan-1-ium-3,4-diol;chloride",60201905,"C1[C@H]([C@@H]([C@H]([S+]1C[C@H]([C@H](CO)OCC2=CC=CC=C2[N+](=O)[O-])O)CO)O)O.[Cl-]",6.823908741]
["C_132","Chembl4567754",60646299,"CC1=C2C(=CC=C1)NC(=N2)C3=CC=CS3",5.27572413]
["C_133","2-(3-Chlorophenyl)-4-methyl-1H-1,3-benzodiazole",60646448,"CC1=C2C(=CC=C1)NC(=N2)C3=CC(=CC=C3)Cl",5.27572413]
["C_134","2-(3-Fluorophenyl)-4-methyl-1H-1,3-benzodiazole",60646537,"CC1=C2C(=CC=C1)NC(=N2)C3=CC(=CC=C3)F",5.27572413]
["C_135","Chembl4585914",60746809,"C1=CC=C2C(=C1)N=NN2CC(=O)C3=CC(=CC=C3)Br",5.554395797]
["C_136","Chembl4567315",60747003,"C1=CC=C2C(=C1)N=NN2CC(=O)C3=CC(=C(C=C3)Cl)Cl",5.408935393]
["C_137","(1S,2S,3R,6S)-6-[[(2R,3S,4S,5R,6S)-4,5-Dihydroxy-6-methoxy-2-methyloxan-3-yl]amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol",70682078,"C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC)O)O)N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO",5.494850022]
["C_138","(1S,2S,3R,6S)-6-[[(2S,3S,4S,5R,6S)-4,5-Dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol",70684192,"CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO)O)O",5.142667504]
["C_139","(1S,2S,3R,4S,5S)-5-[[(2R,3R,4S,5R,6S)-4,5-Dihydroxy-6-methoxy-2-methyloxan-3-yl]amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol",70688441,"C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC)O)O)N[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O",6.187086643]
["C_140","(1S,2S,3R,4S,5S)-1-(Hydroxymethyl)-5-[[(1S,2S,3S,4S,6S)-2,3,4-trihydroxy-6-methylcyclohexyl]amino]cyclohexane-1,2,3,4-tetrol",70688442,"C[C@H]1C[C@@H]([C@@H]([C@H]([C@H]1N[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O)O)O)O",7.167491087]
["C_141","(1S,2S,3R,4S,5S)-5-[[(1S,2S,3S,4S,6S)-4-Amino-2,3-dihydroxy-6-methylcyclohexyl]amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol",70688446,"C[C@H]1C[C@@H]([C@@H]([C@H]([C@H]1N[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O)O)O)N",5.823908741]
["C_144","(1S,2S,3R,4S,5S)-5-[[(2S,3R,4S,5R,6S)-4,5-Dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol",70692637,"CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)N[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O)O)O",7]
["C_149","(1Z,4E)-5-(3,4-Dihydroxyphenyl)-1-hydroxy-1-(2-hydroxyphenyl)penta-1,4-dien-3-one",71569087,"C1=CC=C(C(=C1)/C(=C/C(=O)/C=C/C2=CC(=C(C=C2)O)O)/O)O",4.844663963]
["C_150","1-Hydroxymethyl-5-(2-hydroxy-1-phenyl-ethylamino)-cyclohexane-1,2,3,4-tetraol",73347264,"C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)N[C@H](CO)C2=CC=CC=C2",4.468521083]
["C_151","1-Hydroxymethyl-5-(2-hydroxy-2-phenyl-ethylamino)-cyclohexane-1,2,3,4-tetraol",73350356,"C1[C@@H]([C@@H]([C@@H]([C@H]([C@]1(CO)O)O)O)O)NC[C@@H](C2=CC=CC=C2)O",8.236572006]
["C_154","Chembl4238409",78168139,"CCC1C(C(C(C(N1)CC)O)O)O",5]
["C_155","Chembl4550935",78908128,"CC1=C2C(=CC=C1)NC(=N2)C3=CC(=C(C=C3)OC)O",5.27572413]
["C_156","Chembl4449615",84410102,"CC1=CC2=C(C=C1C)N(N=N2)CC(=O)C3=CC=C(C=C3)Cl",5.655607726]
["C_157","Chembl4443687",84410550,"CC1=CC2=C(C=C1C)N(N=N2)CC(=O)C3=CC=CC=C3",5.467245621]
["C_158","Chembl4237960",89495334,"C1=CN(C(=O)N=C1N)C2[C@@H]([C@@H](C(O2)CO)O)O",5.602059991]
["C_159","Chembl4451474",101671063,"CC(=CCC/C(=C/CC1=C(C(=CC2=C1C(=O)C3=C(O2)C=C(C(=C3O)C/C=C(\\C)/CO)O)O)OC)/C)C",4.542118103]
["C_160","5-(2-Hydroxy-cyclohexylamino)-1-hydroxymethyl-cyclohexane-1,2,3,4-tetraol",101872894,"C1CC[C@H]([C@@H](C1)N[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O)O",8.214670165]
["C_161","(2R)-1-[4,4-Difluoro-5-(1,1'-biphenyl-4-ylmethoxy)pentyl]-2alpha-(hydroxymethyl)piperidine-3beta,4alpha,5beta-triol",101882899,"C1[C@@H]([C@H]([C@@H]([C@H](N1CCCC(COCC2=CC=C(C=C2)C3=CC=CC=C3)(F)F)CO)O)O)O",5.045757491]
["C_162","Cratoxylone",102004659,"CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(O2)C=C(C(=C3O)CCC(C)(C)O)O)O)OC)C",4.512861625]
["C_163","Chembl4440152",102432416,"CC1=CC=C(C=C1)[C@H](CC(=O)C2=CC3=CC=CC=C3C=C2)C4=CNC5=CC=CC=C54",5.366531544]
["C_164","Chembl4439503",102432417,"C1=CC=C(C=C1)[C@H](CC(=O)C2=CC3=CC=CC=C3C=C2)C4=CNC5=CC=CC=C54",5.366531544]
["C_165","Chembl4202640",102519726,"CC(=C)C(CC/C(=C/COC1=CC2=C(C=C1)OC3=CC(=CC(=C3C2=O)O)O)/C)O",4.863279433]
["C_166","(2R,3R,4R,5S)-2-(Hydroxymethyl)-1-[5-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxy]pentyl]piperidine-3,4,5-triol",118411068,"C1[C@@H]([C@H]([C@@H]([C@H](N1CCCCCOCC2=CC(=C(C=C2)C3=CC=CC=C3)C(F)(F)F)CO)O)O)O",5.15490196]
["C_167","(2R,3R,4R,5S)-2-(Hydroxymethyl)-1-[5-[[4-phenyl-2-(trifluoromethyl)phenyl]methoxy]pentyl]piperidine-3,4,5-triol",118411071,"C1[C@@H]([C@H]([C@@H]([C@H](N1CCCCCOCC2=C(C=C(C=C2)C3=CC=CC=C3)C(F)(F)F)CO)O)O)O",5.096910013]
["C_168","(2R,3R,4R,5S)-1-[5-[(2-Fluoro-4-phenylphenyl)methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol",118411072,"C1[C@@H]([C@H]([C@@H]([C@H](N1CCCCCOCC2=C(C=C(C=C2)C3=CC=CC=C3)F)CO)O)O)O",5.602059991]
["C_169","(2R,3R,4R,5S)-2-(Hydroxymethyl)-1-[5-[(4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol",118411073,"C1[C@@H]([C@H]([C@@H]([C@H](N1CCCCCOCC2=CC=C(C=C2)C3=CC=CC=C3)CO)O)O)O",5.698970004]
["C_170","(2R,3R,4R,5S)-1-[5-[(3-Fluoro-4-phenylphenyl)methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol",118411074,"C1[C@@H]([C@H]([C@@H]([C@H](N1CCCCCOCC2=CC(=C(C=C2)C3=CC=CC=C3)F)CO)O)O)O",5.522878745]
["C_171","(2R,3R,4R,5S)-2-(Hydroxymethyl)-1-[5-[(2-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol",118411076,"C1[C@@H]([C@H]([C@@H]([C@H](N1CCCCCOCC2=CC=CC=C2C3=CC=CC=C3)CO)O)O)O",5.823908741]
["C_172","(1S,2S,3R,4S,5S)-5-[Bis(hydroxymethyl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol",118718367,"C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)N(CO)CO",7.823908741]
["C_173","5-(Cyclohexylmethyl-amino)-1-hydroxymethyl-cyclohexane-1,2,3,4-tetraol",118718368,"C1CCC(CC1)CN[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O",6.619788758]
["C_174","5-Cyclohexylamino-1-hydroxymethyl-cyclohexane-1,2,3,4-tetraol",118718369,"C1CCC(CC1)N[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O",6.387216143]
["C_175","5-(4-Bromo-benzylamino)-1-hydroxymethyl-cyclohexane-1,2,3,4-tetraol",118718370,"C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)NCC2=CC=C(C=C2)Br",6.638272164]
["C_176","6-(2-Hydroxy-1-hydroxymethyl-ethylamino)-4-hydroxymethyl-cyclohex-4-ene-1,2,3-triol",118718371,"C1=C([C@H]([C@@H]([C@H]([C@H]1NC(CO)CO)O)O)O)CO",5.229147988]
["C_177","1-Hydroxymethyl-5-phenethylamino-cyclohexane-1,2,3,4-tetraol",118718372,"C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)NCCC2=CC=CC=C2",7]
["C_178","5-(3,7-Dimethyl-octa-2,6-dienylamino)-1-hydroxymethyl-cyclohexane-1,2,3,4-tetraol",118718373,"CC(=CCC/C(=C/CN[C@H]1C[C@@]([C@H]([C@@H]([C@H]1O)O)O)(CO)O)/C)C",6.283996656]
["C_180","1-Hydroxymethyl-5-[(thiophen-2-ylmethyl)-amino]-cyclohexane-1,2,3,4-tetraol",118718375,"C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)NCC2=CC=CS2",6.698970004]
["C_181","5-(3,5-Di-tert-butyl-4-hydroxy-benzylamino)-1-hydroxymethyl-cyclohexane-1,2,3,4-tetraol",118718376,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O",7.366531544]
["C_182","1-Hydroxymethyl-5-(3-phenyl-allylamino)-cyclohexane-1,2,3,4-tetraol",118718377,"C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)NC/C=C/C2=CC=CC=C2",6.568636236]
["C_183","1-Hydroxymethyl-5-[(pyridin-3-ylmethyl)-amino]-cyclohexane-1,2,3,4-tetraol",118718379,"C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)NCC2=CN=CC=C2",6.48148606]
["C_184","(2R,3R,4R,5S)-2-(Hydroxymethyl)-1-[5-[(3-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol",118719919,"C1[C@@H]([C@H]([C@@H]([C@H](N1CCCCCOCC2=CC(=CC=C2)C3=CC=CC=C3)CO)O)O)O",5.823908741]
["C_185","(2R,3R,4R,5S)-2-(Hydroxymethyl)-1-[5-[(1S)-1-(4-phenylphenyl)ethoxy]pentyl]piperidine-3,4,5-triol",118720302,"C[C@@H](C1=CC=C(C=C1)C2=CC=CC=C2)OCCCCCN3C[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O",5.602059991]
["C_187","4-(1,3-Benzothiazol-2-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide",118730249,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C(=O)N/N=C\\C4=CC=CC=N4",4.990124366]
["C_188","4-(1,3-Benzothiazol-2-yl)-N-[(E)-thiophen-2-ylmethylideneamino]benzamide",118730252,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C(=O)N/N=C/C4=CC=CS4",5.071604148]
["C_189","4-(1,3-Benzothiazol-2-yl)-N-[(Z)-furan-2-ylmethylideneamino]benzamide",118730256,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C(=O)N/N=C\\C4=CC=CO4",4.894489815]
["C_190","4-(1,3-Benzothiazol-2-yl)-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide",118730261,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C(=O)N/N=C/C4=CC=C(C=C4)[N+](=O)[O-]",4.578725209]
["C_191","4-(1,3-Benzothiazol-2-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide",118730263,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C(=O)N/N=C/C4=CC=C(C=C4)F",5.147520006]
["C_192","4-(1,3-Benzothiazol-2-yl)-N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]benzamide",118730264,"COC1=CC(=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)OC",4.79128998]
["C_193","4-(1,3-Benzothiazol-2-yl)-N-[(E)-benzylideneamino]benzamide",118730265,"C1=CC=C(C=C1)/C=N/NC(=O)C2=CC=C(C=C2)C3=NC4=CC=CC=C4S3",5.09420412]
["C_194","4-(1,3-Benzothiazol-2-yl)-N-[(E)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide",118730266,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C(=O)N/N=C/C4=CC(=C(C=C4)F)Br",4.552531869]
["C_195","4-(1,3-Benzothiazol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide",118730267,"COC1=CC=C(C=C1)/C=N/NC(=O)C2=CC=C(C=C2)C3=NC4=CC=CC=C4S3",4.736837535]
["C_196","4-(1,3-Benzothiazol-2-yl)-N-[(E)-(4-chlorophenyl)methylideneamino]benzamide",118730270,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C(=O)N/N=C/C4=CC=C(C=C4)Cl",5.274905479]
["C_197","4-(1,3-Benzothiazol-2-yl)-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide",118730271,"COC1=CC=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)C3=NC4=CC=CC=C4S3",4.955068454]
["C_198","4-(1,3-Benzothiazol-2-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzamide",118730272,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C(=O)N/N=C/C4=CC(=CC=C4)O",5.03574037]
["C_199","4-(1,3-Benzothiazol-2-yl)-N-[(E)-(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]benzamide",118730275,"COC1=C(C(=C(C=C1)/C=N/NC(=O)C2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)I)O",4.348721986]
["C_200","4-(1,3-Benzothiazol-2-yl)-N-[(E)-(3,5-dihydroxyphenyl)methylideneamino]benzamide",118730277,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C(=O)N/N=C/C4=CC(=CC(=C4)O)O",4.953895213]
["C_201","Chembl4442533",118855492,"C1=CC=C2C(=C1)C=C(N2)C(=O)N/N=C/C3=CC(=CC(=C3)O)O",5.638272164]
["C_202","Chembl4533183",118855494,"COC1=C(C=C(C=C1)/C=N/NC(=O)C2=CC3=CC=CC=C3N2)O",5.638272164]
["C_203","Chembl4533603",118855496,"COC1=C(C(=C(C=C1)/C=N/NC(=O)C2=CC3=CC=CC=C3N2)I)O",5.638272164]
["C_204","Chembl4538234",119081250,"COC1=CC=C(C=C1)/C=N/NC(=O)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O",5.207608311]
["C_205","Chembl4583678",119081260,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C(=O)N/N=C/C4=CC=C(C=C4)Cl",5.207608311]
["C_206","Chembl4456697",119081261,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C(=O)N/N=C/C4=CC(=CC=C4)Cl",5.207608311]
["C_207","Chembl4435153",119081262,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C(=O)N/N=C/C4=CC=C(C=C4)C(F)(F)F",5.207608311]
["C_208","Chembl4521797",119081263,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C(=O)N/N=C/C4=CC=CC=C4F",5.207608311]
["C_209","Chembl4453289",119081264,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C(=O)N/N=C/C4=CC(=CC=C4)Br",5.207608311]
["C_210","Chembl4468721",119081265,"COC1=CC=CC=C1/C=N/NC(=O)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O",5.207608311]
["C_211","Chembl4452388",121225769,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C(=O)N/N=C/C4=CC(=CC=C4)F",5.207608311]
["C_212","N-[(E)-(4-Nitrophenyl)methylideneamino]-2-oxochromene-3-carboxamide",122181573,"C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)N/N=C/C3=CC=C(C=C3)[N+](=O)[O-]",5.958607315]
["C_213","[(3E)-3-[(3,4-Dihydroxyphenyl)methylidene]-2-hydroxycyclohexen-1-yl]-phenylmethanone",122185117,"C1C/C(=C\\C2=CC(=C(C=C2)O)O)/C(=C(C1)C(=O)C3=CC=CC=C3)O",4.387216143]
["C_214","2-[4-(Trifluoromethyl)phenyl]-3-(1,4,5-triphenylimidazol-2-yl)-1H-indole",122191974,"C1=CC=C(C=C1)C2=C(N(C(=N2)C3=C(NC4=CC=CC=C43)C5=CC=C(C=C5)C(F)(F)F)C6=CC=CC=C6)C7=CC=CC=C7",5.080921908]
["C_215","Chembl4590962",126715487,"CC1=CC=C(C=C1)[C@H](CC(=O)C2=CC=CC=C2)C3=CNC4=CC=CC=C43",5.366531544]
["C_216","Chembl4441979",126715488,"COC1=CC=C(C=C1)[C@H](CC(=O)C2=CC3=CC=CC=C3C=C2)C4=CNC5=CC=CC=C54",5.366531544]
["C_217","Chembl4456998",126715493,"C1=CC=C(C=C1)C(=O)C[C@@H](C2=CC=CS2)C3=CNC4=CC=CC=C43",5.366531544]
["C_218","Chembl4473090",126715501,"C1=CC=C2C=C(C=CC2=C1)C(=O)C[C@@H](C3=CC=C(C=C3)Cl)C4=CNC5=CC=CC=C54",5.366531544]
["C_219","Chembl4445238",126962135,"C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C4(C5=CC=CC=C5NC4=O)C6=CN(C7=CC=CC=C76)CC8=CC=CC=C8",5.229147988]
["C_220","Chembl4564310",126962136,"C1=CC=C2C(=C1)C(=CN2CC3=CC(=CC=C3)F)C4(C5=CC=CC=C5NC4=O)C6=CN(C7=CC=CC=C76)CC8=CC(=CC=C8)F",5.229147988]
["C_221","Chembl4460080",126962137,"C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Br)C4(C5=CC=CC=C5NC4=O)C6=CN(C7=CC=CC=C76)CC8=CC=C(C=C8)Br",5.229147988]
["C_222","(2R,3S,4S)-1-[(2S,3S)-3-(2,2-Dimethylpropoxy)-2,4-dihydroxybutyl]-2-(hydroxymethyl)thiolan-1-ium-3,4-diol;chloride",127048314,"CC(C)(C)CO[C@@H](CO)[C@@H](C[S+]1C[C@H]([C@@H]([C@H]1CO)O)O)O.[Cl-]",6.327902142]
["C_223","(2R,3S,4S)-1-[(2S,3S)-2,4-Dihydroxy-3-(2-methylpropoxy)butyl]-2-(hydroxymethyl)thiolan-1-ium-3,4-diol;chloride",127051169,"CC(C)CO[C@@H](CO)[C@@H](C[S+]1C[C@H]([C@@H]([C@H]1CO)O)O)O.[Cl-]",6.161150909]
["C_224","(2R,3S,4S)-1-[(2S,3S)-2,4-Dihydroxy-3-pentoxybutyl]-2-(hydroxymethyl)thiolan-1-ium-3,4-diol;chloride",127052422,"CCCCCO[C@@H](CO)[C@@H](C[S+]1C[C@H]([C@@H]([C@H]1CO)O)O)O.[Cl-]",5.823908741]
["C_225","(2R,3S,4S)-1-[(2S,3S)-3-Heptoxy-2,4-dihydroxybutyl]-2-(hydroxymethyl)thiolan-1-ium-3,4-diol;chloride",127052423,"CCCCCCCO[C@@H](CO)[C@@H](C[S+]1C[C@H]([C@@H]([C@H]1CO)O)O)O.[Cl-]",6.193820026]
["C_226","Chembl4575035",127053745,"C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)C4(C5=CC=CC=C5NC4=O)C6=CN(C7=CC=CC=C76)CC8=CC=CC=C8Cl)Cl",5.229147988]
["C_227","Chembl4436320",127053746,"C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)C4(C5=CC=CC=C5NC4=O)C6=CN(C7=CC=CC=C76)CC8=CC=CC=C8F)F",5.229147988]
["C_228","Chembl4443865",127053747,"CCCN1C=C(C2=CC=CC=C21)C3(C4=CC=CC=C4NC3=O)C5=CN(C6=CC=CC=C65)CCC",5.229147988]
["C_229","Chembl4435550",127053748,"CC(C)N1C=C(C2=CC=CC=C21)C3(C4=CC=CC=C4NC3=O)C5=CN(C6=CC=CC=C65)C(C)C",5.229147988]
["C_230","Chembl4550304",127053749,"CCCCN1C=C(C2=CC=CC=C21)C3(C4=CC=CC=C4NC3=O)C5=CN(C6=CC=CC=C65)CCCC",5.229147988]
["C_231","Chembl4436361",127053750,"CC(C)CN1C=C(C2=CC=CC=C21)C3(C4=CC=CC=C4NC3=O)C5=CN(C6=CC=CC=C65)CC(C)C",5.229147988]
["C_232","5-[(3,4-Dihydro-2,2-dimethyl-2H-1-benzopyran-6-yl)methyl]-3-hydroxy-4-(4-hydroxyphenyl)-2(5H)-furanone",129774355,"CC1(CCC2=C(O1)C=CC(=C2)CC3C(=C(C(=O)O3)O)C4=CC=C(C=C4)O)C",4.933674075]
["C_233","Chembl4528814",132522820,"C1=CC(=CC(=C1)F)C2=C(N=NC(=N2)SCC(COC3=CC4=C(C=C3)C=CC(=O)O4)O)C5=CC(=CC=C5)F",4.494850022]
["C_234","Chembl4587989",132522821,"C1=CC(=CC2=C1C=CC(=O)O2)OCC(CSC3=NC(=C(N=N3)C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)O",4.494850022]
["C_235","Chembl4469981",132522822,"C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(COC3=CC4=C(C=C3)C=CC(=O)O4)O)C5=CC=CC=C5",4.494850022]
["C_236","Chembl4579423",132522823,"C1=COC(=C1)C2=C(N=NC(=N2)SCC(COC3=CC4=C(C=C3)C=CC(=O)O4)O)C5=CC=CO5",4.494850022]
["C_237","Chembl4568819",132522824,"C1=CC=C2C(=C1)C=C(C(=O)O2)OCC(CSC3=NC(=C(N=N3)C4=CC=CO4)C5=CC=CO5)O",4.494850022]
["C_238","Chembl4558577",132522825,"C1=CC=C2C(=C1)C=C(C(=O)O2)OCC(CSC3=NC(=C(N=N3)C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)O",4.494850022]
["C_239","Chembl4446517",132522826,"C1=CC=C2C(=C1)C=C(C(=O)O2)OCC(CSC3=NC(=C(N=N3)C4=CC(=CC=C4)Br)C5=CC(=CC=C5)Br)O",4.494850022]
["C_240","Flavipesolide B",132577715,"CC1(CCC2=C(O1)C=CC(=C2)CC3=C([C@](OC3=O)(C(=O)OC)O)C4=CC=C(C=C4)O)C",4.987162775]
["C_241","Flavipesolide C",132577716,"CC1(CCC2=C(O1)C=CC(=C2)CC3=C([C@](OC3=O)(C(=O)O)O)C4=CC=C(C=C4)O)C",5.117475462]
["C_242","2-[4-[[2-(2-Methoxyphenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(4-methylphenyl)acetamide",134131791,"CC1=CC=C(C=C1)NC(=O)CN2C=C(N=N2)CN3C(=C(N=C3C4=CC=CC=C4OC)C5=CC=CC=C5)C6=CC=CC=C6",4.823908741]
["C_243","N-(2,4-Dichlorophenyl)-2-[4-[[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]acetamide",134133547,"C1=CC=C(C=C1)C2=C(N(C(=N2)C3=CC=C(C=C3)F)CC4=CN(N=N4)CC(=O)NC5=C(C=C(C=C5)Cl)Cl)C6=CC=CC=C6",4.823908741]
["C_244","2-[4-[[2-(3-Chlorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(4-methoxyphenyl)acetamide",134134001,"COC1=CC=C(C=C1)NC(=O)CN2C=C(N=N2)CN3C(=C(N=C3C4=CC(=CC=C4)Cl)C5=CC=CC=C5)C6=CC=CC=C6",4.823908741]
["C_245","N-(2,4-Dimethylphenyl)-2-[4-[[2-(3-fluorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]acetamide",134134009,"CC1=CC(=C(C=C1)NC(=O)CN2C=C(N=N2)CN3C(=C(N=C3C4=CC(=CC=C4)F)C5=CC=CC=C5)C6=CC=CC=C6)C",4.823908741]
["C_246","Methyl 4-[1-[[1-[2-(4-ethoxyanilino)-2-oxoethyl]triazol-4-yl]methyl]-4,5-diphenylimidazol-2-yl]benzoate",134134112,"CCOC1=CC=C(C=C1)NC(=O)CN2C=C(N=N2)CN3C(=C(N=C3C4=CC=C(C=C4)C(=O)OC)C5=CC=CC=C5)C6=CC=CC=C6",4.823908741]
["C_247","2-[4-[[2-(3-Chlorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(4-ethoxyphenyl)acetamide",134134969,"CCOC1=CC=C(C=C1)NC(=O)CN2C=C(N=N2)CN3C(=C(N=C3C4=CC(=CC=C4)Cl)C5=CC=CC=C5)C6=CC=CC=C6",4.823908741]
["C_248","2-[4-[[2-(3-Bromophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2-ethoxyphenyl)acetamide",134137273,"CCOC1=CC=CC=C1NC(=O)CN2C=C(N=N2)CN3C(=C(N=C3C4=CC(=CC=C4)Br)C5=CC=CC=C5)C6=CC=CC=C6",4.823908741]
["C_249","2-[4-[(4,5-Diphenyl-2-thiophen-2-ylimidazol-1-yl)methyl]triazol-1-yl]-N-(4-methoxyphenyl)acetamide",134139205,"COC1=CC=C(C=C1)NC(=O)CN2C=C(N=N2)CN3C(=C(N=C3C4=CC=CS4)C5=CC=CC=C5)C6=CC=CC=C6",4.823908741]
["C_250","N-(2-Ethoxyphenyl)-2-[4-[[2-(2-fluorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]acetamide",134140317,"CCOC1=CC=CC=C1NC(=O)CN2C=C(N=N2)CN3C(=C(N=C3C4=CC=CC=C4F)C5=CC=CC=C5)C6=CC=CC=C6",4.823908741]
["C_251","2-[4-[[2-(4-Bromophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(4-fluorophenyl)acetamide",134140665,"C1=CC=C(C=C1)C2=C(N(C(=N2)C3=CC=C(C=C3)Br)CC4=CN(N=N4)CC(=O)NC5=CC=C(C=C5)F)C6=CC=CC=C6",4.823908741]
["C_252","2-[4-[[2-(3-Fluorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide",134148325,"CC1=CC=CC=C1NC(=O)CN2C=C(N=N2)CN3C(=C(N=C3C4=CC(=CC=C4)F)C5=CC=CC=C5)C6=CC=CC=C6",4.823908741]
["C_253","2-[4-[[2-(4-Bromophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide",134149940,"CC1=CC=CC=C1NC(=O)CN2C=C(N=N2)CN3C(=C(N=C3C4=CC=C(C=C4)Br)C5=CC=CC=C5)C6=CC=CC=C6",4.823908741]
["C_254","N-(2,4-Dichlorophenyl)-2-[4-[[2-(3,4-dimethoxyphenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]acetamide",134151767,"COC1=C(C=C(C=C1)C2=NC(=C(N2CC3=CN(N=N3)CC(=O)NC4=C(C=C(C=C4)Cl)Cl)C5=CC=CC=C5)C6=CC=CC=C6)OC",4.823908741]
["C_255","2-[4-[[2-(3-Chlorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide",134156711,"CC1=CC(=C(C=C1)NC(=O)CN2C=C(N=N2)CN3C(=C(N=C3C4=CC(=CC=C4)Cl)C5=CC=CC=C5)C6=CC=CC=C6)C",4.823908741]
["C_256","Methyl 4-[1-[[1-[2-(2,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]methyl]-4,5-diphenylimidazol-2-yl]benzoate",134157314,"COC(=O)C1=CC=C(C=C1)C2=NC(=C(N2CC3=CN(N=N3)CC(=O)NC4=C(C=CC(=C4)Cl)Cl)C5=CC=CC=C5)C6=CC=CC=C6",4.823908741]
["C_257","Chembl4476389",135391860,"C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CSC(=N3)N/N=C/C4=CC=CC5=CC=CC=C54",5.207608311]
["C_258","N'-[(E)-(4-Hydroxy-3-methoxyphenyl)methylidene]-1H-indole-2-carbohydrazide",135580822,"COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC3=CC=CC=C3N2)O",5.638272164]
["C_259","Chembl4558252",135580865,"C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)N/N=C/C3=CC=CC=C3O",5.958607315]
["C_260","Chembl4217244",135603218,"C1=CC=C2C(=C1)C=C(N2)C(=O)N/N=C/C3=CC=C(C=C3)O",5.638272164]
["C_261","4-(4-Methyl-1H-benzoimidazole-2-yl)phenol",135974165,"CC1=C2C(=CC=C1)NC(=N2)C3=CC=C(C=C3)O",5.27572413]
["C_262","Chembl4529445",136163007,"CC1=C2C(=CC=C1)NC(=N2)C3=CC=CC=C3O",5.27572413]
["C_263","Chembl4475487",136168639,"CC1=C2C(=CC=C1)NC(=N2)C3=C(C=C(C=C3)OC)O",5.27572413]
["C_264","Chembl4482888",136168640,"CC1=C2C(=CC=C1)NC(=N2)C3=C(C=CC(=C3)OC)O",5.27572413]
["C_265","4-(1,3-Benzothiazol-2-yl)-N-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]benzamide",136180344,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C(=O)N/N=C/C4=C(C=C(C=C4O)O)O",5.077274542]
["C_266","Chembl4528769",136198571,"C1=CC2=C(C=C1Cl)N=C(S2)C3=C(C=CC(=C3)Br)O",4.657577319]
["C_267","Chembl4445451",136661648,"CCCN1C2=CC=CC=C2C(=C1O)N=NC(=O)CC3=C(C=C(C=C3)Cl)Cl",5.657577319]
["C_268","Chembl4540336",136661649,"C1=CC(=C(C=C1CC(=O)N=NC2=C(NC3=C2C=CC(=C3)Br)O)Cl)Cl",5.657577319]
["C_269","Chembl4458470",136661650,"C1=CC(=C(C=C1Cl)Cl)CC(=O)N=NC2=C(NC3=C2C=CC(=C3)Br)O",5.657577319]
["C_270","Chembl4455386",136661651,"C1=CC=C(C(=C1)C(=O)N=NC2=C(NC3=C2C=CC(=C3)Br)O)O",5.657577319]
["C_271","Chembl4556298",136706650,"CC1=C2C(=CC=C1)NC(=N2)C3=CC(=C(C=C3)O)O",5.27572413]
["C_272","Chembl4447344",136903786,"CC1=C2C(=CC=C1)NC(=N2)C3=C(C=C(C=C3)O)O",5.27572413]
["C_273","Chembl4474005",136927555,"CC1=C2C(=CC=C1)NC(=N2)C3=C(C=CC(=C3)O)O",5.27572413]
["C_274","4-(1,3-Benzothiazol-2-yl)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide",136961465,"COC1=CC(=C(C=C1)O)/C=N/NC(=O)C2=CC=C(C=C2)C3=NC4=CC=CC=C4S3",5.187086643]
["C_275","4-(1,3-Benzothiazol-2-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide",136961466,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C(=O)N/N=C/C4=CC=C(C=C4)O",4.947306058]
["C_276","4-(1,3-Benzothiazol-2-yl)-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]benzamide",136961467,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C(=O)N/N=C/C4=C(C(=CC=C4)O)O",4.950007143]
["C_277","4-(1,3-Benzothiazol-2-yl)-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]benzamide",136961468,"COC1=CC(=C(C=C1)/C=N/NC(=O)C2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)O",5.156767222]
["C_278","4-(1,3-Benzothiazol-2-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide",136961469,"C1=CC=C(C(=C1)/C=N/NC(=O)C2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)O",5.255707017]
["C_279","4-(1,3-Benzothiazol-2-yl)-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]benzamide",136961470,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C(=O)N/N=C/C4=CC(=C(C=C4)O)O",4.82131076]
["C_280","4-(1,3-Benzothiazol-2-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]benzamide",136961471,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C(=O)N/N=C/C4=C(C=C(C=C4)O)O",5.253365801]
["C_281","4-(1,3-Benzothiazol-2-yl)-N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide",136961472,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C(=O)N/N=C/C4=CC(=C(C=C4)O)Br",5.093126465]
["C_282","4-(1,3-Benzothiazol-2-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide",136961473,"COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)O",4.272946989]
["C_283","4-(1,3-Benzothiazol-2-yl)-N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]benzamide",136961474,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C(=O)N/N=C/C4=C(C=CC(=C4)O)O",4.92628165]
["C_284","(3Z)-3-[[4-(4-Fluorophenyl)thiazol-2-yl]hydrazono]indolin-2-one",136961580,"C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=NC(=CS3)C4=CC=C(C=C4)F",5.27572413]
["C_285","Chembl4469378",136965669,"CC1=C2C(=CC=C1)NC(=N2)C3=C(C(=CC=C3)O)O",5.27572413]
["C_286","Chembl4576919",137001841,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C(=O)N/N=C/C4=CC=CC=C4O",5.207608311]
["C_287","Chembl4573047",137001842,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C(=O)N/N=C/C4=CC=C(C=C4)O",5.207608311]
["C_288","Chembl4574133",137001843,"CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)/C=N/NC(=O)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O",5.207608311]
["C_289","Chembl4129528",137001844,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C(=O)N/N=C/C4=C(C(=CC(=C4)Cl)Cl)O",5.207608311]
["C_290","Chembl4553128",137001845,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C(=O)N/N=C/C4=CC(=C(C=C4)O)F",5.207608311]
["C_291","Chembl4460908",137001846,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C(=O)N/N=C/C4=C(C=CC(=C4)Cl)O",5.207608311]
["C_292","Chembl4553656",137001847,"COC1=CC(=C(C=C1)/C=N/NC(=O)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O)O",5.207608311]
["C_293","Chembl4516889",137001849,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C(=O)N/N=C/C4=CC(=C(C=C4)O)O",5.207608311]
["C_294","Chembl4466503",137014966,"C1=CC=C2C(=C1)C=C(N2)C(=O)N/N=C/C3=CC(=C(C(=C3)O)O)O",5.638272164]
["C_295","Chembl4559817",137014967,"C1=CC=C2C(=C1)C=C(N2)C(=O)N/N=C/C3=C(C=C(C=C3O)O)O",5.638272164]
["C_296","Chembl4471072",137014968,"C1=CC=C2C(=C1)C=C(N2)C(=O)N/N=C/C3=C(C=CC(=C3)O)O",5.638272164]
["C_297","Chembl4525854",137014969,"C1=CC=C2C(=C1)C=C(N2)C(=O)N/N=C/C3=CC(=C(C=C3)O)O",5.638272164]
["C_298","Chembl4593066",137014970,"C1=CC=C2C(=C1)C=C(N2)C(=O)N/N=C/C3=C(C(=CC=C3)O)O",5.638272164]
["C_299","Chembl4476335",137014971,"C1=CC=C2C(=C1)C=C(N2)C(=O)N/N=C/C3=CC=CC=C3O",5.638272164]
["C_300","Chembl4438611",137014972,"COC1=CC(=C(C=C1)O)/C=N/NC(=O)C2=CC3=CC=CC=C3N2",5.638272164]
["C_301","Chembl4526446",137179324,"C1=CC=C2C(=C1)C(=C(N2)O)N=NC(=O)COC3=CC4=C(C=C3)C=CC(=O)O4",5.602059991]
["C_302","Chembl4553582",137179325,"CC1=CC2=C(C=C1)NC(=C2N=NC(=O)COC3=CC4=C(C=C3)C=CC(=O)O4)O",5.602059991]
["C_303","Chembl4435626",137179326,"CC1=CC(=C2C(=C1)C(=C(N2)O)N=NC(=O)COC3=CC4=C(C=C3)C=CC(=O)O4)C",5.602059991]
["C_304","Chembl4463121",137179327,"C1=CC(=CC2=C1C=CC(=O)O2)OCC(=O)N=NC3=C(NC4=C3C=C(C=C4)F)O",5.602059991]
["C_305","Chembl4532650",137179328,"C1=CC(=CC2=C1C=CC(=O)O2)OCC(=O)N=NC3=C(NC4=C3C=C(C=C4)Cl)O",5.602059991]
["C_306","Chembl4578640",137179329,"C1=CC(=CC2=C1C=CC(=O)O2)OCC(=O)N=NC3=C(NC4=C3C=C(C=C4)Br)O",5.602059991]
["C_307","Chembl4471443",137179330,"C1=CC(=CC2=C1C=CC(=O)O2)OCC(=O)N=NC3=C(NC4=C3C=C(C=C4)[N+](=O)[O-])O",5.602059991]
["C_308","Chembl4561189",137179331,"CN1C2=CC=CC=C2C(=C1O)N=NC(=O)COC3=CC4=C(C=C3)C=CC(=O)O4",5.602059991]
["C_309","Chembl4568489",137179332,"C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2O)N=NC(=O)COC4=CC5=C(C=C4)C=CC(=O)O5",5.602059991]
["C_310","Chembl4438638",137179333,"C1=CC=C(C(=C1)CN2C3=CC=CC=C3C(=C2O)N=NC(=O)COC4=CC5=C(C=C4)C=CC(=O)O5)F",5.602059991]
["C_311","Chembl4475058",137179334,"C1=CC=C2C(=C1)C(=C(N2CC3=CC(=CC=C3)F)O)N=NC(=O)COC4=CC5=C(C=C4)C=CC(=O)O5",5.602059991]
["C_312","Chembl4441977",137179335,"C1=CC=C(C(=C1)CN2C3=CC=CC=C3C(=C2O)N=NC(=O)COC4=CC5=C(C=C4)C=CC(=O)O5)Cl",5.602059991]
["C_313","Chembl4518046",137179336,"C1=CC=C2C(=C1)C(=C(N2CC3=CC=C(C=C3)Br)O)N=NC(=O)COC4=CC5=C(C=C4)C=CC(=O)O5",5.602059991]
["C_314","Chembl4587269",137179337,"CC1=CC2=C(C=C1)N(C(=C2N=NC(=O)COC3=CC4=C(C=C3)C=CC(=O)O4)O)CC5=CC=CC=C5F",5.602059991]
["C_315","Chembl4537391",137179338,"CC1=CC2=C(C=C1)N(C(=C2N=NC(=O)COC3=CC4=C(C=C3)C=CC(=O)O4)O)CC5=CC(=CC=C5)F",5.602059991]
["C_316","Chembl4516073",137179339,"C1=CC=C(C(=C1)CN2C3=C(C=C(C=C3)Cl)C(=C2O)N=NC(=O)COC4=CC5=C(C=C4)C=CC(=O)O5)F",5.602059991]
["C_317","Chembl4545087",137179340,"C1=CC(=CC(=C1)F)CN2C3=C(C=C(C=C3)Cl)C(=C2O)N=NC(=O)COC4=CC5=C(C=C4)C=CC(=O)O5",5.602059991]
["C_318","Chembl4581970",137179341,"C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Br)C(=C2O)N=NC(=O)COC4=CC5=C(C=C4)C=CC(=O)O5",5.602059991]
["C_319","Chembl4583142",137179342,"C1=CC=C(C(=C1)CN2C3=C(C=C(C=C3)Br)C(=C2O)N=NC(=O)COC4=CC5=C(C=C4)C=CC(=O)O5)Cl",5.602059991]
["C_320","Chembl4452470",137179343,"C1=CC(=CC2=C1C=CC(=O)O2)OCC(=O)N=NC3=C(N(C4=C3C=C(C=C4)Br)CC5=CC=C(C=C5)Br)O",5.602059991]
["C_321","Chembl4161936",137242181,"C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)N/N=C/C3=C(C=C(C=C3)O)O",5.958607315]
["C_322","Chembl4531264",139231919,"C1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3OC2=O)N)C4=C(C5=CC=CC=C5OC4=O)N",4.698970004]
["C_323","Chembl4214649",139589754,"CC1=CC(=CC(=C1C(=O)O[C@H]2[C@@H]3COC(=CC3=CC(=O)[C@@]2(C)O)/C=C/[C@H](C)O)O)O",4.104577454]
["C_324","Chembl4215785",139589755,"CC1=CC(=CC(=C1C(=O)O[C@H]2[C@@H]3COC(=CC3=CC(=O)[C@@]2(C)O)/C=C/C=O)O)O",4.640164518]
["C_325","Chembl4556172",141348410,"C1=CC=C2C(=C1)C(=C(C(=O)O2)C(C3=CC=C(C=C3)[N+](=O)[O-])C4=C(C5=CC=CC=C5OC4=O)N)N",4.698970004]
["C_326","Chembl4459976",141348411,"CC1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3OC2=O)N)C4=C(C5=CC=CC=C5OC4=O)N",4.698970004]
["C_327","Chembl4472698",141734915,"COC1=CC=CC(=C1)C(C2=C(C3=CC=CC=C3OC2=O)N)C4=C(C5=CC=CC=C5OC4=O)N",4.698970004]
["C_328","Chembl4468008",141734918,"C1=CC=C2C(=C1)C(=C(C(=O)O2)C(C3=CC=C(C=C3)O)C4=C(C5=CC=CC=C5OC4=O)N)N",4.698970004]
["C_330","Chembl4162593",145959976,"C[C@@H]([C@@H](C1=CC(=C(C=C1OC)OC)OC)OC)O",4.093664958]
["C_331","Chembl4127059",145963604,"CC1=CC=C(C=C1)N\\2C(=O)/C(=C/C3=CC=C(C=C3)F)/S/C2=N\\NC(=O)C4=CC5=CC=CC=C5OC4=O",7.045757491]
["C_332","Chembl4209580",145963815,"CCCOC1=CC=C(C=C1)C2=C(C=C(C(=C2OCCC)OC)C3=CC=C(C=C3)O)OC",4.970616222]
["C_333","Chembl4210289",145963840,"COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)O)OC)OC(=O)C3=CC=CO3)C4=CC=C(C=C4)O",4.450996738]
["C_334","Chembl4211872",145963896,"COC1=C(C(=C(C(=C1C2=CC=C(C=C2)O)O)OC)C3=CC=C(C=C3)O)Br",5.146301788]
["C_335","Chembl4209056",145964250,"COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OCC=C)OC)OCC=C)C3=CC=C(C=C3)O",5.057000407]
["C_336","Chembl4208620",145964468,"C1=CC(=C(C=C1O)O)/C(=C/C(=O)/C=C/C2=C(C=CC(=C2)O)O)/O",4.698970004]
["C_337","Chembl4213599",145964658,"CC1(CCC2=C(O1)C=CC(=C2)CC3=C(C(OC3=O)O)C4=CC=C(C=C4)O)C",4.874193542]
["C_338","Chembl4212356",145964828,"C1=CC(=C(C=C1O)/C=C/C(=O)/C=C(/C2=C(C=CC(=C2)O)O)\\O)O",4.707743929]
["C_339","Chembl4210494",145965222,"CC(C)CCOC1=C(C(=CC(=C1C2=CC=C(C=C2)O)OC)C3=CC=C(C=C3)O)OC",5.066512712]
["C_340","Chembl4213451",145965338,"COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)O)OC)OCC=C)C3=CC=C(C=C3)O",4.076755981]
["C_341","Chembl4212935",145966248,"C1C/C(=C\\C2=CC=CC=C2)/C(=O)/C(=C/C3=CC(=CC=C3)O)/C1",4.54668166]
["C_342","Chembl4213017",145966252,"COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OCCBr)OC)O)C3=CC=C(C=C3)O",4.793174124]
["C_343","Chembl4213889",145966541,"CCCOC1=CC=C(C=C1)C2=C(C=C(C(=C2O)OC)C3=CC=C(C=C3)O)OC",4.910094889]
["C_344","Chembl4211347",145966678,"COC1=C(C(=C(C(=C1C2=CC=C(C=C2)O)O)OC)C3=CC=C(C=C3)O)Cl",4.504455662]
["C_345","Chembl4211682",145966924,"CC(=CCC/C(=C/CC1=C(C(=C(C2=C1OC3=C(C2=O)C=C(C=C3)O)O)CC(C(=C)C)O)O)/C)C",5.318758763]
["C_346","Chembl4213032",145966975,"C1=COC(=C1)/C=C/C(=O)/C=C(/C2=C(C=CC(=C2)O)O)\\O",4.850780887]
["C_347","Chembl4208759",145967044,"C1C/C(=C\\C2=CC=CC=C2)/C(=O)/C(=C/C3=CC(=C(C=C3)O)O)/C1",4.692503962]
["C_348","Chembl4211086",145967377,"COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3)OC)O)C4=CC=C(C=C4)O",4.903089987]
["C_349","Chembl4218969",145969640,"CC(=CCOC1=CC=C(C=C1)C2=CC(=C(C(=C2OC)OCC=C(C)C)C3=CC=C(C=C3)O)OC)C",4.274905479]
["C_350","Chembl4218731",145969860,"CC1(C(OC2=C1C3=C(C(=C2)O)C(=O)C4=C(O3)C(=C(C=C4)O)OC)CO)C",4.138465589]
["C_351","Chembl4218824",145970308,"CCCOC1=C(C(=CC(=C1C2=CC=C(C=C2)O)OC)C3=CC=C(C=C3)O)OC",4.714442691]
["C_352","Chembl4217433",145972163,"COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)O)OC)OCCBr)C3=CC=C(C=C3)O",4.725842151]
["C_353","Chembl4216866",145972609,"CC(=CCC1=C(C=CC(=C1)CC2=C([C@H](OC2=O)OC)C3=CC=C(C=C3)O)O)C",5.062983893]
["C_354","Chembl4176304",145973828,"C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)N/N=C/C3=CC=NC=C3",5.958607315]
["C_355","Chembl4215150",145973915,"C1=CC(=CC(=C1)O)/C=C/C(=O)/C=C(/C2=C(C=CC(=C2)Cl)O)\\O",4.438898616]
["C_356","Chembl4215507",145973934,"COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OCC#C)OC)OCC#C)C3=CC=C(C=C3)O",4.696803943]
["C_357","Chembl4216906",145974223,"CCCOC1=CC=C(C=C1)C2=CC(=C(C(=C2OC)OCCC)C3=CC=C(C=C3)O)OC",5.060980224]
["C_358","Chembl4217851",145974284,"COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OCC=C)OC)O)C3=CC=C(C=C3)O",4.576754126]
["C_359","Chembl4216309",145974668,"C1=CC(=C(C=C1/C=C/C(=O)/C=C(/C2=C(C=CC(=C2)Cl)O)\\O)O)O",4.821023053]
["C_360","Chembl4217611",145974739,"C1=CC=C(C(=C1)/C(=C/C(=O)/C=C/C2=C(C=C(C=C2)O)O)/O)O",4.390405591]
["C_361","Chembl4216316",145974910,"CCCOC1=CC=C(C=C1)C2=CC(=C(C(=C2OC)O)C3=CC=C(C=C3)O)OC",5]
["C_362","Chembl4202793",145975037,"COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)C4=CC=CC=C4)OC)O)C5=CC=C(C=C5)O",4.913640169]
["C_363","Chembl4208135",145975482,"CC(=CCCC(C)(C1CC2=C3C(=C(C(=C2O1)CC=C(C)C)O)C(=O)C4=C(O3)C=CC(=C4)O)O)C",4.793174124]
["C_364","Chembl4204289",145976069,"COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OCCBr)OC)OCCBr)C3=CC=C(C=C3)O",5.175874166]
["C_365","Chembl4205623",145976610,"CC(C)CCOC1=CC=C(C=C1)C2=CC(=C(C(=C2OC)O)C3=CC=C(C=C3)O)OC",4.844663963]
["C_366","Chembl4206986",145976670,"COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)O)O)O)C3=CC=C(C=C3)O",4.879426069]
["C_368","Chembl4206199",145976888,"COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)O)OC)O)C3=CC=C(C=C3)OCC4=CC=CC=C4",4.903089987]
["C_369","Chembl4207664",145977197,"COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)O)OC)OCC3=CC=CC=C3)C4=CC=C(C=C4)O",4.718966633]
["C_370","Chembl4206708",145977661,"CC(=CCOC1=C(C(=CC(=C1C2=CC=C(C=C2)O)OC)C3=CC=C(C=C3)O)OC)C",4.630784143]
["C_371","Chembl4203265",145977996,"CC(=CCCC(=C)C(CC1=C2C(=C(C(=C1O)CC=C(C)C)O)C(=O)C3=C(O2)C=CC(=C3)O)O)C",4.995678626]
["C_372","Chembl4206131",145978101,"COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)O)OC)O)C3=CC=C(C=C3)OCC=C",4.492144128]
["C_373","Chembl4204714",145978278,"CC(=CCOC1=CC=C(C=C1)C2=CC(=C(C(=C2OC)O)C3=CC=C(C=C3)O)OC)C",4.696803943]
["C_374","Chembl4208107",145978407,"COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)O)OC)O)C3=CC=C(C=C3)OCCBr",4.744727495]
["C_375","Chembl4207509",145978619,"C1=CC(=CC=C1C2=CC(=O)C(=C(C2=O)O)C3=CC=C(C=C3)O)O",4.643974143]
["C_376","Chembl4278947",145978931,"C1=CC=C2C(=C1)C(=O)N(C2=O)COC3=C(C=C(C=C3)[N+](=O)[O-])/C=C\\4/C(=O)NC(=S)S4",4.446238302]
["C_377","Chembl4280619",145979451,"COC1=C(C=CC(=C1)/C=C\\2/C(=O)NC(=S)S2)OCN3C(=O)C4=CC=CC=C4C3=O",4.79290446]
["C_378","Chembl4281051",145979918,"CCOC1=C(C=CC(=C1)/C=C\\2/C(=O)NC(=S)S2)OCN3C(=O)C4=CC=CC=C4C3=O",5.1123827]
["C_379","Chembl4282143",145981550,"COC1=CC(=CC(=C1OCN2C(=O)C3=CC=CC=C3C2=O)OC)/C=C\\4/C(=O)NC(=S)S4",4.400007822]
["C_380","Chembl4277201",145984650,"COC1=C(C=CC(=C1)/C=C\\2/C(=O)NC(=O)S2)OCN3C(=O)C4=CC=CC=C4C3=O",4.454198243]
["C_381","Chembl4277205",145984653,"C1=CC=C2C(=C1)C(=O)N(C2=O)COC3=C(C=C(C=C3)[N+](=O)[O-])/C=C\\4/C(=O)NC(=O)S4",4.297138829]
["C_382","Chembl4277622",145985850,"C1=CC=C2C(=C1)C(=O)N(C2=O)COC3=C(C=C(C=C3)/C=C\\4/C(=O)NC(=O)S4)[N+](=O)[O-]",4.648203693]
["C_383","Chembl4288954",145986556,"C1=CC=C2C(=C1)C(=O)N(C2=O)COC3=CC=CC(=C3)/C=C\\4/C(=O)NC(=S)S4",4.468776625]
["C_384","Chembl4291262",145986665,"C1=CC=C2C(=C1)C(=O)N(C2=O)COC3=C(C=C(C=C3)/C=C\\4/C(=O)NC(=O)S4)Cl",4.678815973]
["C_385","Chembl4289618",145988648,"C1=CC=C2C(=C1)C(=O)N(C2=O)COC3=C(C=C(C=C3)/C=C\\4/C(=O)NC(=S)S4)Cl",5.2644011]
["C_386","Chembl4292355",145989626,"C1=CC=C2C(=C1)C(=O)N(C2=O)COC3=CC=C(C=C3)/C=C\\4/C(=O)NC(=S)S4",5.101823517]
["C_387","Chembl4284072",145990339,"C1=CC=C2C(=C1)C(=O)N(C2=O)COC3=CC=C(C=C3)/C=C\\4/C(=O)NC(=O)S4",4.591760035]
["C_388","Chembl4287854",145991381,"CCOC1=C(C=CC(=C1)/C=C\\2/C(=O)NC(=O)S2)OCN3C(=O)C4=CC=CC=C4C3=O",4.533725678]
["C_389","Chembl4286187",145993316,"C1=CC=C2C(=C1)C(=O)N(C2=O)COC3=C(C=C(C=C3)Cl)/C=C\\4/C(=O)NC(=S)S4",4.458171233]
["C_390","Chembl4294091",145993688,"C1=CC=C2C(=C1)C(=O)N(C2=O)COC3=C(C=C(C=C3)/C=C\\4/C(=O)NC(=S)S4)[N+](=O)[O-]",5.181114585]
["C_391","Chembl4553154",155510402,"C[C@H](CN1C=C(N=N1)C(=O)OC)OC2=C(C=C(C=C2)Br)OC",4.853871964]
["C_392","Chembl4543253",155510527,"CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=NC(=C(N=N3)C4=CC=C(C=C4)Br)C5=CC=C(C=C5)Br",5.552841969]
["C_393","Chembl4435180",155510903,"C1=CC(=CC=C1/C=C\\2/C3=C(C=C(C=C3)Cl)NC2=O)C4=NN=C(O4)C5=CC(=CC(=C5)O)O",5.920818754]
["C_394","Chembl4435225",155511020,"COC1=CC(=C(C=C1)NC(=O)CN2C=C(N=N2)COC3=CC(=C4C(=C3)OC5=C(C4=O)C=CC(=C5)Br)O)OC",5.555955204]
["C_395","Chembl4435963",155511451,"C1=CC(=CC=C1C2=CSC(=N2)NC(=O)CSC3=NC(=C(N=N3)C4=CC=C(C=C4)Br)C5=CC=C(C=C5)Br)F",5.552841969]
["C_396","Chembl4437002",155512130,"CC1=CC=C(C=C1)C(C2=CNC3=C2C=C(C=C3)C(=O)NNS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])C5=CNC6=C5C=C(C=C6)C(=O)NNS(=O)(=O)C7=CC=CC=C7[N+](=O)[O-]",5.677780705]
["C_397","Chembl4437073",155512321,"C1=CC=C2C(=C1)N=NN2C(=O)C3=CC(=C(C=C3)Cl)N",5.364516253]
["C_398","Chembl4437179",155512324,"C1=CC=C2C(=C1)C=C(N2)C(=O)N/N=C/C3=CC(=C(C=C3)Br)F",5.638272164]
["C_399","Chembl4437052",155512333,"C1=CC(=CC(=C1)F)CSC2=NC(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br",4.721246399]
["C_400","Chembl4438224",155512866,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NN(C(=S)O3)C(C4=C(C=C(C=C4)Cl)Cl)NC5=CC=C(C=C5)NC(C6=C(C=C(C=C6)Cl)Cl)N7C(=S)OC(=N7)C8=CC(=O)OC9=CC=CC=C98",7.15490196]
["C_401","Chembl4438176",155513004,"CC1=CC=C(C=C1)C2=CSC(=N2)N=NC3=C(NC4=C3C=C(C=C4)F)O",5.27572413]
["C_402","Chembl4439490",155513999,"C1=CC(=C(C=C1NC(=O)CN2C=C(N=N2)COC3=CC(=C4C(=C3)OC5=C(C4=O)C=CC(=C5)O)O)O)O",5.212539525]
["C_403","Chembl4439937",155514095,"CC1=CC=C(C=C1)C(C2=CNC3=C2C=C(C=C3)C(=O)NNS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CNC6=C5C=C(C=C6)C(=O)NNS(=O)(=O)C7=CC=C(C=C7)[N+](=O)[O-]",5.677780705]
["C_404","Chembl4440340",155514524,"C1=CC(=CC=C1CN2C=C(N=N2)CSC3=NC4=C(S3)C=CC(=C4)Cl)Cl",4.698970004]
["C_405","Chembl4440783",155514589,"CC1=CC=CC=C1C(=O)N=C2N(C(=CS2)C)C3=CC(=C(C=C3Cl)Cl)Cl",6.823908741]
["C_406","Chembl4440810",155514778,"CC1=C(C2=CC=CC=C2N1)C3=NN=C(O3)C4=CC=C(C=C4)C(C5=CN(C6=CC=CC=C65)C)C7=CN(C8=CC=CC=C87)C",4.698970004]
["C_407","Chembl4441658",155515326,"CC1=CC=CC=C1N\\2C(=O)/C(=C/C3=CC=C(C=C3)F)/S/C2=N\\NC(=O)C4=CC5=CC=CC=C5OC4=O",7.045757491]
["C_408","Chembl4442388",155515892,"COC1=C(C=C(C=C1)Br)/C=N/C2=NN=C(S2)C3=CC(=CC=C3)[N+](=O)[O-]",5.638272164]
["C_409","Chembl4442881",155516122,"C1=CC=C(C=C1)COC2=C(C=CC(=C2)C3=NN=C(S3)N)Cl",5.638272164]
["C_410","Chembl4442767",155516250,"CC1=CC(=CC=C1)C(=O)N=C2N(C(=CS2)C)C3=CC(=C(C=C3Cl)Cl)Cl",7]
["C_411","Chembl4443246",155516355,"CC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=C(C=C2)C3=NN=C(O3)C4=CC=CC=C4Cl",6.397940009]
["C_412","Chembl4443277",155516406,"CC1=CSC(=NC(=O)C2=CC3=CC=CC=C3OC2=O)N1C4=CC(=C(C=C4Cl)Cl)Cl",7]
["C_413","Chembl4443928",155516781,"C1=CC(=CC=C1CN2C=C(N=N2)CSC3=NC4=C(S3)C=CC(=C4)Cl)Br",4.698970004]
["C_414","Chembl4444058",155517195,"CC1=CC=C(C=C1)C(C2=CNC3=C2C=C(C=C3)C(=O)NNS(=O)(=O)C4=CC=CC=C4Br)C5=CNC6=C5C=C(C=C6)C(=O)NNS(=O)(=O)C7=CC=CC=C7Br",7]
["C_415","Chembl4444856",155517485,"CC1=CC=C(C=C1)C(C2=CNC3=C2C=C(C=C3)C(=O)NNS(=O)(=O)C4=C(C=CC(=C4)Cl)Cl)C5=CNC6=C5C=C(C=C6)C(=O)NNS(=O)(=O)C7=C(C=CC(=C7)Cl)Cl",7]
["C_416","Chembl4444658",155517504,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C(=O)N/N=C/C4=C(C=CC(=C4)O)O",5.207608311]
["C_417","Chembl4446128",155518299,"COC1=CC=CC=C1NC(=S)NNC(=O)C2=CC=C(C=C2)C3=NN=C(O3)C4=CC=CC=C4Cl",6.397940009]
["C_418","Chembl4446840",155518413,"COC1=CC2=C(C=C1)C(=O)C3=C(C=C(C=C3O2)OCC4=CN(N=N4)CC(=O)NC5=CC(=C(C=C5)OC)OC)O",4.798602876]
["C_419","Chembl4446848",155518475,"CC1=CC(=C2C(=C1)C(=C(N2)O)N=NC3=NC(=CS3)C4=CC=C(C=C4)Br)C",5.27572413]
["C_420","Chembl4447231",155518958,"C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)N/N=C/C3=CC=CC=N3",5.958607315]
["C_421","Chembl4448264",155519329,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NN(C(=S)O3)C(C4=CC(=CC=C4)Br)NC5=CC=C(C=C5)OC6=CC=C(C=C6)NC(C7=CC(=CC=C7)Br)N8C(=S)OC(=N8)C9=CC1=CC=CC=C1OC9=O",7.15490196]
["C_422","Chembl4447911",155519624,"C1=CC=C2C(=C1)C(=CN2)C3=NN=C(O3)C4=CC=C(C=C4)C(C5=CNC6=C5C=C(C=C6)Cl)C7=CNC8=C7C=C(C=C8)Cl",4.698970004]
["C_423","Chembl4448033",155519901,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NN(C(=S)O3)C(C4=C(C=C(C=C4)Cl)Cl)NC5=CC=C(C=C5)C6=CC=C(C=C6)NC(C7=C(C=C(C=C7)Cl)Cl)N8C(=S)OC(=N8)C9=CC(=O)OC1=CC=CC=C19",7.15490196]
["C_424","Chembl4448529",155519963,"CC1=CC=C(C=C1)C(NC2=CC=C(C=C2)C3=CC=C(C=C3)NC(C4=CC=C(C=C4)C)N5C(=S)OC(=N5)C6=CC(=O)OC7=CC=CC=C76)N8C(=S)OC(=N8)C9=CC1=CC=CC=C1OC9=O",7.15490196]
["C_425","Chembl4449167",155520318,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NN(C(=S)O3)C(C4=CC=C(C=C4)Cl)NC5=CC=C(C=C5)NC(C6=CC=C(C=C6)Cl)N7C(=S)OC(=N7)C8=CC(=O)OC9=CC=CC=C98",7.15490196]
["C_426","Chembl4449386",155520883,"CC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC3=CC=CC=C3Cl)C4=CC(=CC=C4)Br",4.721246399]
["C_427","Chembl4449655",155520902,"CCOC(=O)CN1C(=O)/C(=C\\C2=CC=C(C=C2)N3C=CC4=C(C=CN=C43)Br)/SC1=O",6.259637311]
["C_428","Chembl4449860",155520978,"C1=CC=C(C(=C1)C(=O)CN2C3=CC=CC=C3N=N2)O",5.312471039]
["C_429","Chembl4450153",155521316,"CC1=CC=C(C=C1)C(C2=CNC3=C2C=C(C=C3)C(=O)NNS(=O)(=O)C4=CC=CC=C4Cl)C5=CNC6=C5C=C(C=C6)C(=O)NNS(=O)(=O)C7=CC=CC=C7Cl",7]
["C_430","Chembl4451108",155521807,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NN(C(=S)O3)C(C4=CC=C(C=C4)[N+](=O)[O-])NC5=CC=C(C=C5)C6=CC=C(C=C6)NC(C7=CC=C(C=C7)[N+](=O)[O-])N8C(=S)OC(=N8)C9=CC(=O)OC1=CC=CC=C19",7.15490196]
["C_431","Chembl4450733",155522269,"C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)N/N=C/C3=CC(=CC=C3)F",5.958607315]
["C_432","Chembl4451317",155522295,"C1=CC=C2C(=C1)C(=CN2)C3=NN=C(O3)C4=CC=C(C=C4)C(C5=CNC6=C5C=C(C=C6)C#N)C7=CNC8=C7C=C(C=C8)C#N",4.698970004]
["C_433","Chembl4450847",155522340,"COC1=CC=C(C=C1)CC2=NN=C(N2CC(=O)NNC(=S)NC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl",5.468521083]
["C_434","Chembl4453617",155522673,"CN1C2=CC=CC=C2C(=C1O)N=NC3=NC(=CS3)C4=CC=C(C=C4)F",5.27572413]
["C_435","Chembl4453256",155522925,"COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=NC(=C(N=N3)C4=CC=C(C=C4)Br)C5=CC=C(C=C5)Br",5.552841969]
["C_436","Chembl4453742",155523305,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NN(C(=S)O3)C(C4=C(C=C(C=C4)Cl)Cl)NC5=CC=C(C=C5)OC6=CC=C(C=C6)NC(C7=C(C=C(C=C7)Cl)Cl)N8C(=S)OC(=N8)C9=CC1=CC=CC=C1OC9=O",7.15490196]
["C_437","Chembl4454919",155524062,"CC(=O)OC1=CC(=CC2=C1C(=O)C3=C(O2)C=C(C=C3)OC)OCC4=CN(N=N4)CC(=O)NC5=C(C=C(C=C5)OC)OC",4.479385478]
["C_438","Chembl4453842",155524159,"CC(=O)OC1=CC(=CC2=C1C(=O)C3=C(O2)C=C(C=C3)OC)OCC4=CN(N=N4)CC(=O)NC5=CC(=C(C=C5)OC)OC",4.005990967]
["C_439","Chembl4454670",155524260,"CC1=C(C2=CC=CC=C2N1)C3=NN=C(O3)C4=CC=C(C=C4)C(C5=CNC6=C5C=C(C=C6)Br)C7=CNC8=C7C=C(C=C8)Br",4.698970004]
["C_440","Chembl4454092",155524303,"C1=CC(=CC=C1CSC2=NC(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)F",4.721246399]
["C_441","Chembl4456568",155524371,"CC1=CSC(=NC(=O)C2=CC=CC3=CC=CC=C32)N1C4=CC(=C(C=C4Cl)Cl)Cl",6.823908741]
["C_442","Chembl4456031",155524800,"COC1=C(C=C(C=C1)NC(=O)CN2C=C(N=N2)COC3=CC(=C4C(=C3)OC5=C(C4=O)C=C(C=C5)Br)O)OC",4.525201181]
["C_443","Chembl4457539",155525398,"COC1=CC=C(C=C1)N\\2C(=O)/C(=C/C3=CC=C(C=C3)F)/S/C2=N\\NC(=O)C4=CC5=CC=CC=C5OC4=O",7.045757491]
["C_444","Chembl4457153",155525485,"C1=CC=C(C(=C1)CN2C=C(N=N2)CSC3=NC4=CC=CC=C4S3)Br",4.698970004]
["C_445","Chembl4457996",155525755,"CC1=CSC(=NC(=O)C2=CC=C(C=C2)OC)N1C3=CC(=C(C=C3Cl)Cl)Cl",7]
["C_446","Chembl4456879",155525777,"C1=CC(=CC=C1/C=C/2\\C(=O)NC(=O)S2)N3C=C(C=N3)[N+](=O)[O-]",6.259637311]
["C_447","Chembl4457442",155526039,"C1=CC2=C(C=C1Cl)N=C(S2)SCC3=CN(N=N3)CC4=CC(=CC(=C4)Cl)Cl",4.698970004]
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["C_450","Chembl4458336",155526933,"C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=NC(=C(N=N3)C4=CC=C(C=C4)F)C5=CC=C(C=C5)F",5.552841969]
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["C_457","Chembl4460212",155527937,"C1=CC(=CC=C1CSC2=NC(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)Cl",4.721246399]
["C_458","Chembl4460518",155527969,"CC1=CC2=C(C=C1)N(C(=C2N=NC3=NC(=CS3)C4=CC=C(C=C4)O)O)CC5=CC=CC=C5F",5.27572413]
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["C_460","Chembl4461266",155528290,"C1=CC(=CC=C1C2=CSC(=N2)N=NC3=C(NC4=C3C=C(C=C4)F)O)F",5.27572413]
["C_461","Chembl4461307",155528293,"C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)N/N=C/C3=CC=CC=C3F",5.958607315]
["C_462","Chembl4461186",155528487,"C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=N/C3=NN=C(S3)C4=CC=C(C=C4)Cl",5.638272164]
["C_463","Chembl4461594",155528555,"CCOC(=O)C1=C(C[C@H](N([C@@H]1C2=CC=C(C=C2)C)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)C)NC5=CC(=CC=C5)[N+](=O)[O-]",5.638272164]
["C_464","Chembl4461780",155528794,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NN(C(=S)O3)C(C4=CC(=CC=C4)Cl)NC5=CC=C(C=C5)C6=CC=C(C=C6)NC(C7=CC(=CC=C7)Cl)N8C(=S)OC(=N8)C9=CC(=O)OC1=CC=CC=C19",7.15490196]
["C_465","Chembl4461882",155529010,"COC1=CC=CC(=C1)C(NC2=CC=C(C=C2)C3=CC=C(C=C3)NC(C4=CC(=CC=C4)OC)N5C(=S)OC(=N5)C6=CC(=O)OC7=CC=CC=C76)N8C(=S)OC(=N8)C9=CC1=CC=CC=C1OC9=O",7.15490196]
["C_466","Chembl4462160",155529019,"COC1=C(C(=CC(=C1)C(C2=C(C3=CC=CC=C3OC2=O)N)C4=C(C5=CC=CC=C5OC4=O)N)Br)O",4.698970004]
["C_467","Chembl4462234",155529045,"C1=CC=C(C(=C1)CN2C=C(N=N2)CSC3=NC4=C(S3)C=CC(=C4)Cl)F",4.698970004]
["C_468","Chembl4463405",155529760,"C1=CC=C2C(=C1)N=C(S2)SCC3=CN(N=N3)CC4=CC(=CC=C4)F",4.698970004]
["C_469","Chembl4462975",155529801,"CC1=CC(=CC=C1)NC(=S)NNC(=O)C2=CC=C(C=C2)C3=NN=C(O3)C4=CC=CC=C4Cl",6.397940009]
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["C_472","Chembl4464685",155530344,"C1=CC=C(C(=C1)C2=NN=C(O2)C3=CC=C(C=C3)C(=O)NNC(=S)NC4=CC=C(C=C4)[N+](=O)[O-])Cl",6.397940009]
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["C_474","Chembl4465117",155530855,"CC1=CC=C(C=C1)C(C2=CNC3=C2C=C(C=C3)C(=O)NNS(=O)(=O)C4=CC(=C(C=C4)Cl)Cl)C5=CNC6=C5C=C(C=C6)C(=O)NNS(=O)(=O)C7=CC(=C(C=C7)Cl)Cl",7]
["C_475","Chembl4465548",155531052,"CC1=CC2=C(C=C1)N(C(=C2N=NC3=NC(=CS3)C4=CC=C(C=C4)OC)O)CC5=CC=CC=C5F",5.27572413]
["C_476","Chembl4465477",155531297,"C1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)F)C4=NC(=C(N4C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7",5.080921908]
["C_477","Chembl4465310",155531323,"CC1=NC=CN1C2=CC=C(C=C2)/C=C/3\\C(=O)NC(=O)S3",6.259637311]
["C_478","Chembl4465339",155531355,"C[C@H](CN1C=C(N=N1)C2=CC=C(C=C2)C(F)(F)F)OC3=C(C=C(C=C3)C4=CC=C(C=C4)OC)OC",4.853871964]
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["C_480","Chembl4465909",155531645,"C1=CC=C(C(=C1)CSC2=NC(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)F",4.721246399]
["C_481","Chembl4466757",155531901,"COC1=CC(=C(C=C1)NC(=O)CN2C=C(N=N2)COC3=CC(=C4C(=C3)OC5=C(C4=O)C=C(C=C5)Br)O)OC",5.512861625]
["C_482","Chembl4466929",155532040,"COC1=CC=CC(=C1)NC(=S)NNC(=O)C2=CC=C(C=C2)C3=NN=C(O3)C4=CC=CC=C4Cl",6.397940009]
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["C_486","Chembl4468287",155532978,"CN1C=C(C2=CC=CC=C21)C3=NN=C(O3)C4=CC=C(C=C4)C(C5=CNC6=C5C=C(C=C6)Br)C7=CNC8=C7C=C(C=C8)Br",4.698970004]
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["C_490","Chembl4468782",155533288,"C1=CC=C2C(=C1)C(=CN2)C3=NN=C(O3)C4=CC=C(C=C4)C(C5=CNC6=CC=CC=C65)C7=CNC8=CC=CC=C87",4.698970004]
["C_491","Chembl4469426",155533632,"COC1=CC=CC(=C1)N\\2C(=O)/C(=C/C3=CC=C(C=C3)F)/S/C2=N\\NC(=O)C4=CC5=CC=CC=C5OC4=O",7.045757491]
["C_492","Chembl4469544",155533650,"COC1=C(C=C(C=C1)Br)/C=N/C2=NN=C(S2)C3=CC=C(C=C3)Cl",5.638272164]
["C_493","Chembl4469294",155533786,"C1=CC(=CC(=C1)Cl)C(=O)N2C3=CC(=C(C=C3N=N2)Cl)Cl",5.522878745]
["C_494","Chembl4469167",155533843,"C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)Br)C5=CC=CC=C5",5.552841969]
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["C_496","Chembl4470944",155534978,"C1=CC=C2C(=C1)C(=C(C(=O)O2)C(C3=CC=CC=C3Cl)C4=C(C5=CC=CC=C5OC4=O)N)N",4.698970004]
["C_497","Chembl4471582",155535264,"C1=CC=C2C=C(C(=CC2=C1)C3=NN=C(S3)N)O",5.638272164]
["C_498","Chembl4472506",155535412,"C1=CC=C(C=C1)C(=O)C[C@@H](C2=CC(=CC=C2)Br)C3=CNC4=CC=CC=C43",5.366531544]
["C_499","Chembl4471901",155535503,"C1=CC=C(C(=C1)/C=N/C2=NN=C(S2)C3=CC=C(C=C3)Cl)[N+](=O)[O-]",5.638272164]
["C_500","Chembl4472054",155535751,"CN1C=C(C2=CC=CC=C21)C3=NN=C(O3)C4=CC=C(C=C4)C(C5=CNC6=C5C=C(C=C6)Cl)C7=CNC8=C7C=C(C=C8)Cl",4.698970004]
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["C_502","Chembl4472998",155536131,"C1=CC(=C(C=C1NC(=O)CN2C=C(N=N2)COC3=CC(=C4C(=C3)OC5=C(C4=O)C=CC(=C5)Br)O)O)O",5.281498311]
["C_503","Chembl4473217",155536491,"C1=CC=C(C(=C1)CN2C=C(N=N2)CSC3=NC4=C(S3)C=CC(=C4)Cl)Br",4.698970004]
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["C_506","Chembl4473968",155536686,"CC1=CC=CC=C1/C=N/NC(=O)C2=CC3=CC=CC=C3OC2=O",5.958607315]
["C_507","Chembl4474751",155537150,"C1=CC(=C(C=C1NC(=O)CN2C=C(N=N2)COC3=CC(=C4C(=C3)OC5=C(C4=O)C=C(C=C5)O)O)O)O",5.151195299]
["C_508","Chembl4474603",155537256,"CC1=CC(=CC=C1)[C@H](CC(=O)C2=CC=CC=C2)C3=CNC4=CC=CC=C43",5.366531544]
["C_509","Chembl4474453",155537292,"COC1=CC(=C(C=C1)O)/C=N/NC(=O)C2=CC3=CC=CC=C3OC2=O",5.958607315]
["C_510","Chembl4475313",155537378,"C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)N/N=C\\3/N(C(=O)/C(=C/C4=CC=C(C=C4)F)/S3)C5=CC=CC=C5Cl",7.045757491]
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["C_512","Chembl4475743",155537893,"C1=CC=C2C(=C1)N=C(S2)SCC3=CN(N=N3)CC4=CC(=CC(=C4)Cl)Cl",4.698970004]
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["C_514","Chembl4475632",155538044,"CN1C=C(C2=CC=CC=C21)C3=NN=C(O3)C4=CC=C(C=C4)C(C5=CNC6=C5C=C(C=C6)C#N)C7=CNC8=C7C=C(C=C8)C#N",4.698970004]
["C_515","Chembl4476028",155538053,"CC1=CSC(=NC(=O)C2=CC=CO2)N1C3=CC(=C(C=C3Cl)Cl)Cl",7]
["C_516","Chembl4476560",155538463,"CC(=O)OC1=CC(=CC2=C1C(=O)C3=C(O2)C=C(C=C3)Br)OCC4=CN(N=N4)CC(=O)NC5=CC(=C(C=C5)OC)OC",4.583193128]
["C_517","Chembl4476702",155538670,"C1=CC(=CC=C1C2=NN=C(S2)/N=C/C3=C(C=C(C=C3)Cl)Cl)Cl",5.638272164]
["C_518","Chembl4525043",155538745,"CC1=CC=C(C=C1)C2=CSC(=N2)N=NC3=C(N(C4=CC=CC=C43)C)O",5.27572413]
["C_519","Chembl4513279",155538933,"CN1C2=CC=CC=C2C(=C1O)N=NC3=NC(=CS3)C4=CC=C(C=C4)OC",5.27572413]
["C_520","Chembl4513326",155538960,"COC1=CC=CC(=C1)C(NC2=CC=C(C=C2)NC(C3=CC(=CC=C3)OC)N4C(=S)OC(=N4)C5=CC(=O)OC6=CC=CC=C65)N7C(=S)OC(=N7)C8=CC9=CC=CC=C9OC8=O",7.15490196]
["C_521","Chembl4483090",155539790,"C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C(C4=CC=C(C=C4)C5=NN=C(O5)C6=CNC7=CC=CC=C76)C8=C(NC9=CC=CC=C98)C1=CC=CC=C1",4.698970004]
["C_522","Chembl4515488",155539994,"CC(=O)OC1=CC(=CC2=C1C(=O)C3=C(O2)C=C(C=C3)Br)OCC4=CN(N=N4)CC(=O)NC5=C(C=C(C=C5)OC)OC",4.893469146]
["C_523","Chembl4516633",155540166,"C1=CC=C2C(=C1)N=NN2CC(=O)C3=C(C(=CC=C3)Cl)Cl",5.459670525]
["C_524","Chembl4516653",155540302,"CCOC(=O)C1=C(C[C@H](N([C@@H]1C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)F)C4=CC=C(C=C4)Cl)NC5=CC(=CC=C5)F",5.638272164]
["C_525","Chembl4483439",155540379,"C1=CC=C(C=C1)CN2C=C(N=N2)CSC3=NC4=C(S3)C=CC(=C4)Cl",4.698970004]
["C_526","Chembl4516968",155540420,"C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)N/N=C\\3/N(C(=O)/C(=C/C4=CC=C(C=C4)F)/S3)C5=CC=C(C=C5)Cl",7.045757491]
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["C_528","Chembl4519790",155542053,"COC1=CC2=C(C=C1)OC3=CC(=CC(=C3C2=O)O)OCC4=CN(N=N4)CC(=O)NC5=C(C=C(C=C5)OC)OC",5.080398976]
["C_529","Chembl4520965",155542409,"C1=CC=C(C=C1)C(=O)C[C@@H](C2=CC(=CC=C2)[N+](=O)[O-])C3=CNC4=CC=CC=C43",5.366531544]
["C_530","Chembl4521001",155542582,"C1=CC(=CC=C1/C=C/2\\C(=O)N(C(=O)S2)CC(=O)O)N3C=CC4=C(C=CN=C43)Br",6.259637311]
["C_531","Chembl4521652",155542676,"CC1=CC(=CC=C1)C(C2=C(C3=CC=CC=C3OC2=O)N)C4=C(C5=CC=CC=C5OC4=O)N",4.698970004]
["C_532","Chembl4521721",155542741,"COC1=C(C(=CC(=C1)C(C2=C(C3=CC=CC=C3OC2=O)N)C4=C(C5=CC=CC=C5OC4=O)N)Cl)O",4.698970004]
["C_533","Chembl4526013",155543251,"COC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=C(C=C2)C3=NN=C(O3)C4=CC=CC=C4Cl",6.397940009]
["C_534","Chembl4549579",155543477,"CC1=CC=C(C=C1)C2=CSC(=N2)N=NC3=C(N(C4=C3C=C(C=C4)C)CC5=CC=CC=C5F)O",5.27572413]
["C_535","Chembl4526260",155544036,"C[C@H](CN1C=C(N=N1)C2=CC=C(C=C2)C(F)(F)F)OC3=C(C=C(C=C3)C4=CC=C(C=C4)[N+](=O)[O-])OC",4.853871964]
["C_536","Chembl4526264",155544045,"C1=CC=C(C(=C1)CN2C=C(N=N2)CSC3=NC4=C(S3)C=CC(=C4)Cl)Cl",4.698970004]
["C_537","Chembl4527538",155544268,"CC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC3=CC=CC=C3Br)C4=CC=C(C=C4)Br",4.721246399]
["C_538","Chembl4526576",155544539,"CC1=CC=C(C=C1)C(C2=CNC3=C2C=C(C=C3)C(=O)NNS(=O)(=O)C4=C(C=C(C=C4)Cl)Cl)C5=CNC6=C5C=C(C=C6)C(=O)NNS(=O)(=O)C7=C(C=C(C=C7)Cl)Cl",7]
["C_539","Chembl4526585",155544641,"C1=CC=C(C=C1)C(=O)C[C@H](C2=CNC3=CC=CC=C32)C4=C(C=CC=C4Cl)Cl",5.366531544]
["C_540","Chembl4565442",155544678,"CC1=CC=C(C=C1)C(C2=CNC3=C2C=C(C=C3)C(=O)NNS(=O)(=O)C4=CC(=C(C=C4Cl)Cl)Cl)C5=CNC6=C5C=C(C=C6)C(=O)NNS(=O)(=O)C7=CC(=C(C=C7Cl)Cl)Cl",6.522878745]
["C_541","Chembl4529174",155545216,"COC1=CC2=C(C=C1)C(=O)C3=C(C=C(C=C3O2)OCC4=CN(N=N4)CC(=O)NC5=C(C=C(C=C5)OC)OC)O",5.68613278]
["C_542","Chembl4565828",155545371,"C1=CC(=CC=C1C2=C(N=NC(=N2)SCC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)F)F",5.552841969]
["C_543","Chembl4529524",155545574,"CC(=O)OC1=CC(=CC2=C1C(=O)C3=C(O2)C=CC(=C3)OC)OCC4=CN(N=N4)CC(=O)NC5=C(C=C(C=C5)OC)OC",4.370590401]
["C_544","Chembl4532196",155546295,"C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)N/N=C/C3=C(C(=CC=C3)O)O",5.958607315]
["C_545","Chembl4531602",155546457,"CC(=O)NC1=CC=C(C=C1)N2C(=C(N=C2C3=C(NC4=C3C=C(C=C4)F)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7",5.080921908]
["C_546","Chembl4531736",155546505,"CC1=C(C=C(C=C1)N\\2C(=O)/C(=C/C3=CC=C(C=C3)F)/S/C2=N\\NC(=O)C4=CC5=CC=CC=C5OC4=O)C",7.045757491]
["C_547","Chembl4532383",155546673,"CCOC(=O)C1=C(C[C@H](N([C@@H]1C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)Cl)NC5=CC(=CC=C5)Cl",5.638272164]
["C_548","Chembl4533762",155547288,"CN(C)C1=CC=C(C=C1)C(NC2=CC=C(C=C2)NC(C3=CC=C(C=C3)N(C)C)N4C(=S)OC(=N4)C5=CC(=O)OC6=CC=CC=C65)N7C(=S)OC(=N7)C8=CC9=CC=CC=C9OC8=O",7.15490196]
["C_549","Chembl4532649",155547853,"C1=CC=C2C(=C1)N=NN2C(=O)C3=C(C(=C(C=C3)F)F)Cl",5.249491605]
["C_550","Chembl4535608",155547925,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NN(C(=S)O3)C(C4=CC(=CC=C4)Cl)NC5=CC=C(C=C5)NC(C6=CC(=CC=C6)Cl)N7C(=S)OC(=N7)C8=CC(=O)OC9=CC=CC=C98",7.15490196]
["C_551","Chembl4535006",155548029,"CC1=CC=C(C=C1)C(C2=CNC3=C2C=C(C=C3)C(=O)NNS(=O)(=O)C4=CC=C(C=C4)Br)C5=CNC6=C5C=C(C=C6)C(=O)NNS(=O)(=O)C7=CC=C(C=C7)Br",7]
["C_552","Chembl4537425",155548091,"CC(=C)C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)OC(C)(C)[C@@H](COC4=C5C=CC(=O)OC5=CC6=C4C=CO6)O",5.055517328]
["C_553","Chembl4549137",155548830,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NN(C(=S)O3)C(C4=CC=C(C=C4)Br)NC5=CC=C(C=C5)OC6=CC=C(C=C6)NC(C7=CC=C(C=C7)Br)N8C(=S)OC(=N8)C9=CC1=CC=CC=C1OC9=O",7.15490196]
["C_554","Chembl4538427",155549036,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NN(C(=S)O3)C(C4=CC=C(C=C4)F)NC5=CC=C(C=C5)NC(C6=CC=C(C=C6)F)N7C(=S)OC(=N7)C8=CC(=O)OC9=CC=CC=C98",7.15490196]
["C_555","Chembl4549180",155549196,"CN(C)C1=CC=C(C=C1)C(NC2=CC=C(C=C2)OC3=CC=C(C=C3)NC(C4=CC=C(C=C4)N(C)C)N5C(=S)OC(=N5)C6=CC7=CC=CC=C7OC6=O)N8C(=S)OC(=N8)C9=CC1=CC=CC=C1OC9=O",7.15490196]
["C_556","Chembl4538319",155549256,"CC1=CC=C(C=C1)C2=CSC(=N2)N=NC3=C(NC4=C(C=C(C=C43)C)C)O",5.27572413]
["C_557","Chembl4538081",155549339,"C1=CC(=C(C=C1O)O)NC(=O)CN2C=C(N=N2)COC3=CC(=C4C(=C3)OC5=C(C4=O)C=C(C=C5)O)O",4.80631897]
["C_558","Chembl4539474",155549603,"CC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Br",4.721246399]
["C_559","Chembl4539984",155549930,"C1=CC=C2C=C(C=CC2=C1)C(=O)C[C@@H](C3=CC=CS3)C4=CNC5=CC=CC=C54",5.366531544]
["C_560","Chembl4549286",155550722,"C1=CC(=CC=C1/C=C/2\\C(=O)NC(=O)S2)N3C=CC4=C(C=CN=C43)NC5=CC=C(C=C5)F",6.259637311]
["C_561","Chembl4569072",155550923,"C1=CC=C2C(=C1)C(=C(C(=O)O2)C(C3=CC(=CC=C3)Br)C4=C(C5=CC=CC=C5OC4=O)N)N",4.698970004]
["C_562","Chembl4541097",155551194,"CC1=C(C2=CC=CC=C2N1C)C(C3=CC=C(C=C3)C4=NN=C(O4)C5=CNC6=CC=CC=C65)C7=C(N(C8=CC=CC=C87)C)C",4.698970004]
["C_563","Chembl4541639",155551356,"C1=CC=C(C(=C1)NC2=C3C=CN(C3=NC=C2)C4=CC=C(C=C4)/C=C/5\\C(=O)NC(=O)S5)OC(F)(F)F",6.259637311]
["C_564","Chembl4569769",155551754,"CC1=C(C2=CC=CC=C2N1)C3=NN=C(O3)C4=CC=C(C=C4)C(C5=CNC6=C5C=C(C=C6)C#N)C7=CNC8=C7C=C(C=C8)C#N",4.698970004]
["C_565","Chembl4543092",155551811,"C1=CC=C(C(=C1)C2=NN=C(O2)C3=CC=C(C=C3)C(=O)NNC(=S)NC4=CC=CC=C4Br)Cl",6.397940009]
["C_566","Chembl4576254",155551838,"CC(=C)C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)OC(C)(C)C(COC4=C5C(=C(C6=C4OC(=O)C=C6)OC)C=CO5)O",5.055517328]
["C_567","Chembl4543995",155552138,"C[C@H](CN1C=C(N=N1)C2=CC=C(C=C2)C(F)(F)F)OC3=C(C=C(C=C3)C4=CC=C(C=C4)F)OC",4.853871964]
["C_568","Chembl4547068",155552221,"C1=CC=C(C=C1)NN2C(=CSC2=NC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl",5.017728767]
["C_569","Chembl4547082",155552278,"CC(C)(C)C1=CC=C(C=C1)CN2C=C(N=N2)CSC3=NC4=CC=CC=C4S3",4.698970004]
["C_570","Chembl4544255",155552319,"CN1C=C(C2=CC=CC=C21)C3=NN=C(O3)C4=CC=C(C=C4)C(C5=C(NC6=CC=CC=C65)C7=CC=CC=C7)C8=C(NC9=CC=CC=C98)C1=CC=CC=C1",4.698970004]
["C_571","Chembl4543754",155552510,"CC1=CSC(=NC(=O)C2=CC=CC=C2Cl)N1C3=CC(=C(C=C3Cl)Cl)Cl",7]
["C_572","Chembl4547036",155552582,"C1=CC=C(C(=C1)C2=NN=C(O2)C3=CC=C(C=C3)C(=O)NNC(=S)NC4=CC(=C(C=C4)Cl)Cl)Cl",6.397940009]
["C_573","Chembl4544064",155552633,"C1=CC=C2C(=C1)C=NN2C3=CC=C(C=C3)/C=C/4\\C(=O)NC(=O)S4",6.259637311]
["C_574","Chembl4545537",155552870,"C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)N/N=C/C3=CC=C(C=C3)F",5.958607315]
["C_575","Chembl4545190",155552897,"CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=NC(=C(N=N3)C4=CC=C(C=C4)F)C5=CC=C(C=C5)F",5.552841969]
["C_576","Chembl4545401",155552997,"C1=CC(=CC=C1C2=CSC(=N2)NC(=O)CSC3=NC(=C(N=N3)C4=CC=C(C=C4)Br)C5=CC=C(C=C5)Br)Br",5.552841969]
["C_577","Chembl4545231",155553123,"C1=CC(=CC=C1C2=C(N=NC(=N2)SCC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)Br)C5=CC=C(C=C5)F)F",5.552841969]
["C_578","Chembl4545982",155553329,"C1=CC(=CC(=C1)F)CSC2=NC(=CC(=N2)C3=CC(=CC=C3)Br)C4=CC=C(C=C4)Br",4.721246399]
["C_579","Chembl4545784",155553432,"CC1=CC2=C(C=C1)NC(=C2N=NC3=NC(=CS3)C4=CC=C(C=C4)O)O",5.27572413]
["C_580","Chembl4576623",155553806,"COC1=CC=C(C=C1)N2C(=C(N=C2C3=C(NC4=CC=CC=C43)C5=CC(=CC=C5)Br)C6=CC=CC=C6)C7=CC=CC=C7",5.080921908]
["C_581","Chembl4547928",155554008,"CC1=CC=C(C=C1)C(NC2=CC=C(C=C2)OC3=CC=C(C=C3)NC(C4=CC=C(C=C4)C)N5C(=S)OC(=N5)C6=CC7=CC=CC=C7OC6=O)N8C(=S)OC(=N8)C9=CC1=CC=CC=C1OC9=O",7.15490196]
["C_582","Chembl4557896",155554549,"C1=CC=C(C=C1)C(=O)C[C@@H](C2=CC=C(C=C2)Br)C3=CNC4=CC=CC=C43",5.366531544]
["C_583","Chembl4557506",155554792,"CC1=C(C(=CC=C1)C)N\\2C(=O)/C(=C/C3=CC=C(C=C3)F)/S/C2=N\\NC(=O)C4=CC5=CC=CC=C5OC4=O",7.045757491]
["C_584","Chembl4550316",155554991,"C1=CC(=CC=C1C2=CSC(=N2)N=NC3=C(NC4=C3C=C(C=C4)Cl)O)Br",5.27572413]
["C_585","Chembl4550413",155555150,"C1=CC=C(C(=C1)C2=NN=C(O2)C3=CC=C(C=C3)C(=O)NNC(=S)NC4=CC=C(C=C4)Cl)Cl",6.397940009]
["C_586","Chembl4551286",155555166,"C1=CC=C(C=C1)C2=C(N(C(=N2)C3=C(NC4=CC=CC=C43)C5=CC(=CC=C5)Br)C6=CC=C(C=C6)Br)C7=CC=CC=C7",5.080921908]
["C_587","Chembl4551296",155555225,"C1=CC=C2C(=C1)N=C(S2)SCC3=CN(N=N3)CC4=CC=C(C=C4)Cl",4.698970004]
["C_588","Chembl4553428",155555379,"C1=CC=C(C(=C1)C2=NN=C(O2)C3=CC=C(C=C3)C(=O)NNC(=S)NC4=CC(=CC=C4)F)Cl",6.397940009]
["C_589","Chembl4552230",155555472,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NN(C(=S)O3)C(C4=CC=C(C=C4)Br)NC5=CC=C(C=C5)C6=CC=C(C=C6)NC(C7=CC=C(C=C7)Br)N8C(=S)OC(=N8)C9=CC(=O)OC1=CC=CC=C19",7.15490196]
["C_590","Chembl4551617",155555653,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NN(C(=S)O3)C(C4=CC=C(C=C4)[N+](=O)[O-])NC5=CC=C(C=C5)NC(C6=CC=C(C=C6)[N+](=O)[O-])N7C(=S)OC(=N7)C8=CC(=O)OC9=CC=CC=C98",7.15490196]
["C_591","Chembl4551747",155555852,"CC(C)(C)C1=CC=C(C=C1)CN2C=C(N=N2)CSC3=NC4=C(S3)C=CC(=C4)Cl",4.698970004]
["C_592","Chembl4554161",155555930,"CN1C=C(C2=CC=CC=C21)C3=NN=C(O3)C4=CC=C(C=C4)C(C5=CNC6=CC=CC=C65)C7=CNC8=CC=CC=C87",4.698970004]
["C_593","Chembl4554505",155556035,"C[C@H](CN1C=C(N=N1)C2=CC=C(C=C2)F)OC3=C(C=C(C=C3)Br)OC",4.853871964]
["C_594","Chembl4554853",155556297,"C1=CC=C(C(=C1)C2=NN=C(O2)C3=CC=C(C=C3)C(=O)NNC(=S)NC4=CC=CC=C4Cl)Cl",6.15490196]
["C_595","Chembl4554478",155556557,"C1=CC=C(C(=C1)C2=NN=C(O2)C3=CC=C(C=C3)C(=O)NNC(=S)NC4=CC(=CC=C4)[N+](=O)[O-])Cl",6.397940009]
["C_596","Chembl4555132",155556585,"CC1=C(C2=CC=CC=C2N1)C3=NN=C(O3)C4=CC=C(C=C4)C(C5=C(NC6=CC=CC=C65)C7=CC=CC=C7)C8=C(NC9=CC=CC=C98)C1=CC=CC=C1",4.698970004]
["C_597","Chembl4554612",155556628,"C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN=C(S2)/N=C/C3=C(C=C(C=C3)Cl)Cl",5.638272164]
["C_598","Chembl4556170",155557040,"C1=CC=C(C=C1)C(=O)C[C@@H](C2=C(C=C(C=C2)Cl)Cl)C3=CNC4=CC=CC=C43",5.366531544]
["C_599","Chembl4555448",155557333,"C1=CC=C(C(=C1)C2=NN=C(O2)C3=CC=C(C=C3)C(=O)NNC(=S)NC4=CC=C(C=C4)Br)Cl",6.397940009]
["C_600","Chembl4559187",155557845,"CN1CCN(CC1)CN2C(=S)OC(=N2)CN3C(=NN=C3C4=CC=C(C=C4)Cl)CC5=CC=C(C=C5)OC",5.366531544]
["C_601","Chembl4560628",155558468,"C1=CC2=C(C=C1O)OC3=CC(=CC(=C3C2=O)O)OCC4=CN(N=N4)CC(=O)NC5=C(C=C(C=C5)O)O",4.754240644]
["C_602","Chembl4561204",155558478,"CC1=CC(=C(C=C1)N\\2C(=O)/C(=C/C3=CC=C(C=C3)F)/S/C2=N\\NC(=O)C4=CC5=CC=CC=C5OC4=O)C",7.045757491]
["C_603","Chembl4561697",155559088,"CC(=CCC/C(=C/CC/C(=C/CC1=C(C(=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)O)/C)/C)C",4.118045029]
["C_604","Chembl4561766",155559089,"CC(=O)OC1=CC(=CC2=C1C(=O)C3=C(O2)C=CC(=C3)Br)OCC4=CN(N=N4)CC(=O)NC5=CC(=C(C=C5)OC)OC",4.490394295]
["C_605","Chembl4564900",155559778,"C1=CC(=CC=C1/C=N/C2=NN=C(S2)C3=CC=C(C=C3)Cl)O",5.638272164]
["C_606","Chembl4564699",155559850,"CC(=CCC/C(=C/CC/C(=C/CCC(C)(CCC1=C(C(=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O)/C)/C)C",4.812479279]
["C_607","Chembl4567979",155560301,"C1=CC(=C(C=C1O)O)NC(=O)CN2C=C(N=N2)COC3=CC(=C4C(=C3)OC5=C(C4=O)C=CC(=C5)Br)O",5.231361899]
["C_608","Chembl4568178",155560470,"CCOC(=O)C1=C(C[C@H](N([C@@H]1C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)Br)C4=CC=C(C=C4)Cl)NC5=CC(=CC=C5)Br",5.638272164]
["C_609","Chembl4568608",155560581,"CC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC3=CC(=CC=C3)F)C4=CC(=CC=C4)Br",4.721246399]
["C_610","Chembl4566389",155560899,"CC1=CC2=C(C=C1C)N(N=N2)CC(=O)C3=CC=C(C=C3)OC",5.585026652]
["C_611","Chembl4580728",155561331,"C1=CC(=C(C=C1NC(=O)CN2C=C(N=N2)COC3=CC(=C4C(=C3)OC5=C(C4=O)C=C(C=C5)Br)O)O)O",5.498940738]
["C_612","Chembl4580943",155561485,"COC1=C(C=C(C=C1)NC(=O)CN2C=C(N=N2)COC3=CC(=C4C(=C3)OC5=C(C4=O)C=CC(=C5)Br)O)OC",4.927382523]
["C_613","Chembl4581675",155561638,"C[C@H](CN1C=C(N=N1)C2=CC=CC=C2)OC3=C(C=C(C=C3)Br)OC",4.853871964]
["C_614","Chembl4584797",155562117,"CC1=C(C2=CC=CC=C2N1C)C(C3=CC=C(C=C3)C4=NN=C(O4)C5=CN(C6=CC=CC=C65)C)C7=C(N(C8=CC=CC=C87)C)C",4.698970004]
["C_615","Chembl4570923",155562458,"C1=CC=C2C(=C1)C(=C(C(=O)O2)C(C3=CC=CC=C3F)C4=C(C5=CC=CC=C5OC4=O)N)N",4.698970004]
["C_616","Chembl4570383",155562954,"COC1=CC=C(C=C1)N2C(=C(N=C2C3=C(NC4=C3C=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C6=CC=CC=C6)C7=CC=CC=C7",5.080921908]
["C_617","Chembl4570594",155562957,"C1=CC(=CC=C1C2=CSC(=N2)NC(=O)CSC3=NC(=C(N=N3)C4=CC=C(C=C4)Br)C5=CC=C(C=C5)Br)Cl",5.552841969]
["C_618","Chembl4573221",155563314,"CC1=CC(=CC(=C1C)C)C(=O)N2C3=CC=CC=C3N=N2",5.373659633]
["C_619","Chembl4572048",155563415,"C1=CC=C(C(=C1)CSC2=NC(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)Cl",4.721246399]
["C_620","Chembl4573584",155563631,"CC1=C(C=C(C=C1)C(=O)N2C3=CC(=C(C=C3N=N2)Cl)Cl)C",5.417936637]
["C_621","Chembl4574530",155563923,"CN1C=C(C2=CC=CC=C21)C(C3=CC=C(C=C3)C4=NN=C(O4)C5=CNC6=CC=CC=C65)C7=CN(C8=CC=CC=C87)C",4.698970004]
["C_622","Chembl4575673",155564193,"C1=CC=C(C(=C1)CSC2=NC(=CC(=N2)C3=CC(=CC=C3)Br)C4=CC=C(C=C4)Br)Cl",4.721246399]
["C_623","Chembl4574481",155564556,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NN(C(=S)O3)C(C4=CC=C(C=C4)Cl)NC5=CC=C(C=C5)C6=CC=C(C=C6)NC(C7=CC=C(C=C7)Cl)N8C(=S)OC(=N8)C9=CC(=O)OC1=CC=CC=C19",7.15490196]
["C_624","Chembl4577650",155564904,"CC1=CC2=C(C=C1C)N(N=N2)CC(=O)C3=CC=CC=C3O",5.48148606]
["C_625","Chembl4578211",155565000,"CN1C=C(C2=CC=CC=C21)C3=NN=C(O3)C4=CC=C(C=C4)C(C5=CN(C6=CC=CC=C65)C)C7=CN(C8=CC=CC=C87)C",4.698970004]
["C_626","Chembl4578419",155565007,"C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=NC(=C(N=N3)C4=CC=C(C=C4)Br)C5=CC=C(C=C5)Br",5.552841969]
["C_627","Chembl4579286",155565566,"C1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)F)C4=NC(=C(N4C5=CC(=CC=C5)Cl)C6=CC=CC=C6)C7=CC=CC=C7",5.080921908]
["C_628","Chembl4580550",155565848,"C1=CC(=CC(=C1)F)CN2C=C(N=N2)CSC3=NC4=C(S3)C=CC(=C4)Cl",4.698970004]
["C_629","Chembl4580552",155565849,"CC(=CCC/C(=C/CCC(C)(CCC1=C(C(=CC2=C1C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O)/C)C",4.595166283]
["C_630","Chembl4582990",155565952,"C1=CC=C(C(=C1)C2=NN=C(O2)C3=CC=C(C=C3)C(=O)NNC(=S)NC4=CC=C(C=C4)C(F)(F)F)Cl",6.22184875]
["C_631","Chembl4582866",155566243,"C1=CC=C(C(=C1)C2=NN=C(O2)C3=CC=C(C=C3)C(=O)NNC(=S)NC4=CC=C(C=C4)F)Cl",6.397940009]
["C_632","Chembl4587284",155566721,"CC1=C(C2=CC=CC=C2N1)C3=NN=C(O3)C4=CC=C(C=C4)C(C5=C(N(C6=CC=CC=C65)C)C)C7=C(N(C8=CC=CC=C87)C)C",4.698970004]
["C_633","Chembl4586570",155566820,"C1=CC(=CC=C1CN2C=C(N=N2)CSC3=NC4=C(S3)C=CC(=C4)Cl)F",4.698970004]
["C_634","Chembl4586665",155566948,"C1=CC=C(C(=C1)C2=NN=C(O2)C3=CC=C(C=C3)C(=O)NNC(=S)NC4=CC=CC=C4F)Cl",6.397940009]
["C_635","Chembl4586054",155567023,"C[C@H](CN1C=C(N=N1)C2=CC=C(C=C2)C(F)(F)F)OC3=C(C=C(C=C3)Br)OC",4.853871964]
["C_636","Chembl4590536",155567941,"CC1=CC(=CC=C1)/C=N/NC(=O)C2=CC3=CC=CC=C3OC2=O",5.958607315]
["C_637","Chembl4590014",155568099,"C1=CC(=CC=C1/C=C/2\\C(=O)NC(=O)S2)N3C=CC4=C(C=CN=C43)Br",6.259637311]
["C_638","Chembl4590046",155568175,"CC1=C(C2=CC=CC=C2N1)C3=NN=C(O3)C4=CC=C(C=C4)C(C5=CNC6=CC=CC=C65)C7=CNC8=CC=CC=C87",4.698970004]
["C_639","Chembl4591646",155568325,"CC1=CC(=CC(=C1)N\\2C(=O)/C(=C/C3=CC=C(C=C3)F)/S/C2=N\\NC(=O)C4=CC5=CC=CC=C5OC4=O)C",7.045757491]
["C_640","Chembl4589823",155568837,"CC1=CC(=CC=C1)N\\2C(=O)/C(=C/C3=CC=C(C=C3)F)/S/C2=N\\NC(=O)C4=CC5=CC=CC=C5OC4=O",7.045757491]
["C_641","Chembl4592050",155569088,"CC1=CC=C(C=C1)C(C2=CNC3=C2C=C(C=C3)C(=O)NNS(=O)(=O)C4=C(C(=CC=C4)Cl)Cl)C5=CNC6=C5C=C(C=C6)C(=O)NNS(=O)(=O)C7=C(C(=CC=C7)Cl)Cl",7]
["C_642","Chembl4593597",155569623,"C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)/C=C\\5/C(=O)NC(=O)S5",6.26760624]
["C_643","Chembl4593969",155569636,"COC1=C(C=CC(=C1)C2=NN=C(S2)/N=C/C3=CC=C(C=C3)O)OCC4=CC=CC=C4",5.638272164]

{"sheet":"Sheet1 (2)","index":1,"n_rows":627,"n_cols":5,"rows_kept":627}
["S/N","Compound Name","PubChem CID","Isomeric SMILES","pIC50"]
[1,"2,4-Thiazolidinedione",5437,"C1C(=O)NC(=O)S1",{"v":6.26760624,"d":"6.27"}]
[2,"Methyl acetoacetate",7757,"CC(=O)CC(=O)OC",{"v":4.721246399,"d":"4.72"}]
[3,"Diethyl malonate",7761,"CCOC(=O)CC(=O)OCC",{"v":5.301029996,"d":"5.30"}]
[4,"Precose",41774,"C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO",{"v":5.698970004,"d":"5.70"}]
[5,"Miglustat",51634,"CCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O",{"v":5.677780705,"d":"5.68"}]
[6,"(-)-Catechin",73160,"C1[C@H]([C@@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O",{"v":4.269217724,"d":"4.27"}]
[7,"N-Methyldeoxynojirimycin",92381,"CN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O",{"v":6.920818754,"d":"6.92"}]
[8,"5-(4-Nitrophenyl)-1,3,4-thiadiazol-2-amine",96637,"C1=CC(=CC=C1C2=NN=C(S2)N)[N+](=O)[O-]",{"v":5.638272164,"d":"5.64"}]
[9,"Terphenyllin",100437,"COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)O)OC)O)C3=CC=C(C=C3)O",{"v":5.319664487,"d":"5.32"}]
[10,"Butyrolactone i",123740,"CC(=CCC1=C(C=CC(=C1)C[C@@]2(C(=C(C(=O)O2)O)C3=CC=C(C=C3)O)C(=O)OC)O)C",{"v":4.848323769,"d":"4.85"}]
[11,"1H-Benzotriazole, 1-benzoyl-5,6-dichloro-",155893,"C1=CC=C(C=C1)C(=O)N2C3=CC(=C(C=C3N=N2)Cl)Cl",{"v":5.431798276,"d":"5.43"}]
[12,"(2r,3r,5s,6r)-2,6-Bis(hydroxymethyl)piperidine-3,4,5-triol",159496,"C([C@@H]1[C@H](C([C@H]([C@H](N1)CO)O)O)O)O",{"v":7.397940009,"d":"7.40"}]
[13,"Valiolamine",174312,"C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)N",{"v":5.657577319,"d":"5.66"}]
[14,"Migalastat",176077,"C1[C@@H]([C@H]([C@H]([C@H](N1)CO)O)O)O",{"v":5.823908741,"d":"5.82"}]
[15,"5-(2,4-Dichlorophenyl)-1,3,4-thiadiazol-2-amine",182638,"C1=CC(=C(C=C1Cl)Cl)C2=NN=C(S2)N",{"v":5.638272164,"d":"5.64"}]
[16,"3-Hydroxyterphenyllin",191796,"COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)O)OC)O)C3=CC(=C(C=C3)O)O",{"v":4.946921557,"d":"4.95"}]
[17,"Valienamine",193758,"C1=C([C@H]([C@@H]([C@H]([C@H]1N)O)O)O)CO",{"v":4,"d":"4.00"}]
[18,"(5,6-Dimethyl-1h-benzotriazol-1-yl)(phenyl)methanone",256338,"CC1=CC2=C(C=C1C)N(N=N2)C(=O)C3=CC=CC=C3",{"v":5.468521083,"d":"5.47"}]
[19,"5-(3-Nitrophenyl)-1,3,4-thiadiazol-2-amine",256343,"C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN=C(S2)N",{"v":5.638272164,"d":"5.64"}]
[20,"Miglitol",441314,"C1[C@@H]([C@H]([C@@H]([C@H](N1CCO)CO)O)O)O",{"v":5.431798276,"d":"5.43"}]
[21,"Voglibose",444020,"C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)NC(CO)CO",{"v":5.886056648,"d":"5.89"}]
[22,"1,4-Dideoxy-1,4-imino-d-arabinitol",451991,"C1[C@H]([C@@H]([C@H](N1)CO)O)O",{"v":4.259637311,"d":"4.26"}]
[23,"1-Benzoyl-1H-benzotriazole",570059,"C1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3N=N2",{"v":5.276544328,"d":"5.28"}]
[24,"5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-amine",668392,"C1=CC(=CC=C1C2=NN=C(S2)N)Cl",{"v":5.638272164,"d":"5.64"}]
[25,"2-(Benzotriazol-1-yl)-1-(4-chlorophenyl)ethanone",677475,"C1=CC=C2C(=C1)N=NN2CC(=O)C3=CC=C(C=C3)Cl",{"v":5.602059991,"d":"5.60"}]
[26,"Benzotriazol-1-yl-(4-bromo-phenyl)-methanone",693001,"C1=CC=C2C(=C1)N=NN2C(=O)C3=CC=C(C=C3)Br",{"v":5.494850022,"d":"5.49"}]
[27,"Benzotriazol-1-yl-(4-methoxyphenyl)methanone",710644,"COC1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3N=N2",{"v":5.524328812,"d":"5.52"}]
[28,"Benzotriazol-1-yl-(4-nitrophenyl)methanone",710799,"C1=CC=C2C(=C1)N=NN2C(=O)C3=CC=C(C=C3)[N+](=O)[O-]",{"v":5.527243551,"d":"5.53"}]
[29,"2-(1H-1,2,3-Benzotriazol-1-yl)-1-phenylethan-1-one",761839,"C1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=N2",{"v":5.308918508,"d":"5.31"}]
[30,"2-(Benzotriazol-1-yl)-1-(4-bromophenyl)ethanone",761840,"C1=CC=C2C(=C1)N=NN2CC(=O)C3=CC=C(C=C3)Br",{"v":5.554395797,"d":"5.55"}]
[31,"2-Benzotriazol-1-yl-1-p-tolyl-ethanone",761841,"CC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=N2",{"v":5.320572103,"d":"5.32"}]
[32,"(1H-Benzo[d][1,2,3]triazol-1-yl)(3-methyl-4-nitrophenyl)methanone",764214,"CC1=C(C=CC(=C1)C(=O)N2C3=CC=CC=C3N=N2)[N+](=O)[O-]",{"v":5.387216143,"d":"5.39"}]
[33,"Benzotriazol-1-yl-(2,6-difluoro-phenyl)-methanone",772214,"C1=CC=C2C(=C1)N=NN2C(=O)C3=C(C=CC=C3F)F",{"v":5.281498311,"d":"5.28"}]
[34,"1-(4-Fluorobenzoyl)-1H-benzotriazole",785793,"C1=CC=C2C(=C1)N=NN2C(=O)C3=CC=C(C=C3)F",{"v":5.549750892,"d":"5.55"}]
[35,"1H-Benzotriazol-1-yl(3,4-dimethylphenyl)methanone",789010,"CC1=C(C=C(C=C1)C(=O)N2C3=CC=CC=C3N=N2)C",{"v":5.318758763,"d":"5.32"}]
[36,"2-(1H-1,2,3-Benzotriazol-1-yl)-1-(4-phenylphenyl)ethan-1-one",795004,"C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CN3C4=CC=CC=C4N=N3",{"v":5.302770657,"d":"5.30"}]
[37,"Benzotriazol-1-yl-(3-methylphenyl)methanone",834536,"CC1=CC(=CC=C1)C(=O)N2C3=CC=CC=C3N=N2",{"v":5.354577731,"d":"5.35"}]
[38,"1-(2-Methoxybenzoyl)-1H-1,2,3-benzotriazole",898930,"COC1=CC=CC=C1C(=O)N2C3=CC=CC=C3N=N2",{"v":5.319664487,"d":"5.32"}]
[39,"4-(5-Amino-[1,3,4]thiadiazol-2-yl)-phenol",936815,"C1=CC(=CC=C1C2=NN=C(S2)N)O",{"v":5.638272164,"d":"5.64"}]
[40,"2-Benzotriazolyl-1-(3-nitrophenyl)ethan-1-one",2168077,"C1=CC=C2C(=C1)N=NN2CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]",{"v":5.397940009,"d":"5.40"}]
[41,"(3Z)-3-[2-[4-(4-Chlorophenyl)-2-thiazolyl]hydrazono]-1H-indole-2(3H)-one",2814554,"C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=NC(=CS3)C4=CC=C(C=C4)Cl",{"v":5.27572413,"d":"5.28"}]
[42,"3,3-Bis(1H-indole-3-yl)-2-indolinone",2883607,"C1=CC=C2C(=C1)C(=CN2)C3(C4=CC=CC=C4NC3=O)C5=CNC6=CC=CC=C65",{"v":5.229147988,"d":"5.23"}]
[43,"5-Chloro-3,3-bis(1H-indole-3-yl)indoline-2-one",2948971,"C1=CC=C2C(=C1)C(=CN2)C3(C4=C(C=CC(=C4)Cl)NC3=O)C5=CNC6=CC=CC=C65",{"v":5.229147988,"d":"5.23"}]
[44,"3,3-Bis(1-methyl-1H-indole-3-yl)-1H-indole-2(3H)-one",2949282,"CN1C=C(C2=CC=CC=C21)C3(C4=CC=CC=C4NC3=O)C5=CN(C6=CC=CC=C65)C",{"v":5.229147988,"d":"5.23"}]
[45,"Chembl4470451",3438551,"CCN1C2=C(C=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4N3)C5=CC=CC=C51",{"v":6.769551079,"d":"6.77"}]
[46,"2-(Benzotriazol-1-yl)-1-(4-methoxyphenyl)ethanone",3812150,"COC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=N2",{"v":5.346787486,"d":"5.35"}]
[47,"Chembl4444070",3846838,"COC1=C(C=C(C=C1)Br)C2=NN=C(S2)N",{"v":5.638272164,"d":"5.64"}]
[48,"(3E)-3-{(2E)-[4-(4-Methylphenyl)-1,3-thiazol-2(3H)-ylidene]hydrazinylidene}-1,3-dihydro-2H-indol-2-one",4284022,"CC1=CC=C(C=C1)C2=CSC(=N2)N=NC3=C(NC4=CC=CC=C43)O",{"v":5.27572413,"d":"5.28"}]
[49,"5-(2-Nitrophenyl)-1,3,4-thiadiazol-2-amine",4351712,"C1=CC=C(C(=C1)C2=NN=C(S2)N)[N+](=O)[O-]",{"v":5.638272164,"d":"5.64"}]
[50,"5-(2,3-Dimethoxy-phenyl)-[1,3,4]thiadiazol-2-ylamine",4366058,"COC1=CC=CC(=C1OC)C2=NN=C(S2)N",{"v":5.638272164,"d":"5.64"}]
[51,"Chembl4465201",4596212,"CCCCCCCCCCCC(=O)N=NC1=C(NC2=CC=CC=C21)O",{"v":5.657577319,"d":"5.66"}]
[52,"Chembl4466646",4936110,"CCCCOC1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3N=N2",{"v":5.251811973,"d":"5.25"}]
[53,"Chembl4451791",5158729,"CC1=CC=C(C=C1)C(=O)N=NC2=C(NC3=C2C=C(C=C3)Cl)O",{"v":5.657577319,"d":"5.66"}]
[54,"Quercetin",5280343,"C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O",{"v":5.107905397,"d":"5.11"}]
[55,"Genistein",5280961,"C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O",{"v":5.583359493,"d":"5.58"}]
[56,"alpha-Mangostin",5281650,"CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)OC)CC=C(C)C)O)C",{"v":5.244125144,"d":"5.24"}]
[57,"7-Geranyloxy-1,3-dihydroxyxanthone",5317563,"CC(=CCC/C(=C/COC1=CC2=C(C=C1)OC3=CC(=CC(=C3C2=O)O)O)/C)C",{"v":4.68613278,"d":"4.69"}]
[58,"7,8-Dihydroxy-4-methylcoumarin",5355836,"CC1=CC(=O)OC2=C1C=CC(=C2O)O",{"v":4.283996656,"d":"4.28"}]
[59,"gamma-Mangostin",5464078,"CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)O)CC=C(C)C)O)C",{"v":5.769551079,"d":"5.77"}]
[60,"beta-Mangostin",5495925,"CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C=C(C(=C3CC=C(C)C)OC)O)OC)C",{"v":4.645891561,"d":"4.65"}]
[61,"9-Hydroxycalabaxanthone",5495929,"CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C4=C(C=C3O2)OC(C=C4)(C)C)O)O)OC)C",{"v":4.943095149,"d":"4.94"}]
[62,"Chembl4592051",6407588,"CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5",{"v":5.552841969,"d":"5.55"}]
[63,"2-[(5,6-Diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide",6411033,"C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5",{"v":5.552841969,"d":"5.55"}]
[64,"Chembl4566821",6415895,"C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)F)C5=CC=CC=C5",{"v":5.552841969,"d":"5.55"}]
[65,"Salacinol",6451151,"C1[C@H]([C@@H]([C@H]([S+]1C[C@H]([C@H](CO)OS(=O)(=O)[O-])O)CO)O)O",{"v":5.30980392,"d":"5.31"}]
[66,"(2R,3R,5S,6R)-1-Butyl-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol",6475031,"CCCCN1[C@@H]([C@H](C([C@H]([C@H]1CO)O)O)O)CO",{"v":5.37675071,"d":"5.38"}]
[67,"2,6-Bis-hydroxymethyl-1-methyl-piperidine-3,4,5-triol",6477160,"CN1[C@@H]([C@H](C([C@H]([C@H]1CO)O)O)O)CO",{"v":7.22184875,"d":"7.22"}]
[68,"2-Oxo-N'-[(E)-phenylmethylidene]-2H-chromene-3-carbohydrazide",6870730,"C1=CC=C(C=C1)/C=N/NC(=O)C2=CC3=CC=CC=C3OC2=O",{"v":5.958607315,"d":"5.96"}]
[69,"1,3,4-Thiadiazol-2-amine, 5-[4-(dimethylamino)phenyl]-",7479831,"CN(C)C1=CC=C(C=C1)C2=NN=C(S2)N",{"v":5.638272164,"d":"5.64"}]
[70,"Chembl4515560",9689210,"C1=CC=C2C(=C1)C=C(N2)C(=O)N/N=C/C3=CC=C(C=C3)Cl",{"v":5.638272164,"d":"5.64"}]
[71,"AMP-Deoxynojirimycin",9822159,"C1[C@@H]([C@H]([C@@H]([C@H](N1CCCCCOCC23CC4CC(C2)CC(C4)C3)CO)O)O)O",{"v":5.522878745,"d":"5.52"}]
[72,"Methyl (2~{r})-3-(4-Hydroxyphenyl)-2-[(4-Hydroxyphenyl)methyl]-4-Oxidanyl-5-Oxidanylidene-Furan-2-Carboxylate",10405953,"COC(=O)[C@]1(C(=C(C(=O)O1)O)C2=CC=C(C=C2)O)CC3=CC=C(C=C3)O",{"v":4.069917367,"d":"4.07"}]
[73,"3,3''-Dihydroxyterphenyllin",10429220,"COC1=C(C(=C(C(=C1)C2=CC(=C(C=C2)O)O)OC)O)C3=CC(=C(C=C3)O)O",{"v":4.853871964,"d":"4.85"}]
[74,"2-Benzylidene-6-(4-hydroxy-benzylidene)-cyclohexanone",10589581,"C1C/C(=C\\C2=CC=CC=C2)/C(=O)/C(=C/C3=CC=C(C=C3)O)/C1",{"v":4.373659633,"d":"4.37"}]
[75,"1,3,7-Trihydroxy-2,4-diisoprenylxanthone",10643491,"CC(=CCC1=C(C(=C2C(=C1O)C(=O)C3=C(O2)C=CC(=C3)O)CC=C(C)C)O)C",{"v":4.59345982,"d":"4.59"}]
[76,"4-Methyl-2-pyridin-4-yl-1H-benzimidazole",10656015,"CC1=C2C(=CC=C1)NC(=N2)C3=CC=NC=C3",{"v":5.27572413,"d":"5.28"}]
[77,"2-(2-Chlorophenyl)-4-methyl-1H-benzimidazole",11160865,"CC1=C2C(=CC=C1)NC(=N2)C3=CC=CC=C3Cl",{"v":5.27572413,"d":"5.28"}]
[78,"4-Methyl-2-(2-nitrophenyl)-benzimidazole",11218984,"CC1=C2C(=CC=C1)NC(=N2)C3=CC=CC=C3[N+](=O)[O-]",{"v":5.27572413,"d":"5.28"}]
[79,"Valibose",11630203,"C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1NC(CO)CO)O)O)O)CO",{"v":6.259637311,"d":"6.26"}]
[80,"Cochinchinone A",11633740,"CC(=CCC/C(=C/CC1=C2C(=C(C(=C1O)CC=C(C)C)O)C(=O)C3=C(O2)C=CC(=C3)O)/C)C",{"v":4.759450752,"d":"4.76"}]
[81,"14-Deoxy-11,12-didehydro-15-p-methoxylbenzylideneandrographolide",11640963,"C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C3=C/C(=C/C4=CC=C(C=C4)OC)/OC3=O)(C)CO)O",{"v":4.795880017,"d":"4.80"}]
[82,"1-[(2S,3S)-2,3,4-Trihydroxybutyl]-3beta,4alpha-dihydroxy-5beta-(hydroxymethyl)thiolane-1-ium",11748894,"C1[C@H]([C@@H]([C@H]([S+]1C[C@H]([C@H](CO)O)O)CO)O)O",{"v":5.045757491,"d":"5.05"}]
[83,"Cowanin",11754819,"CC(=CCC/C(=C/CC1=C(C(=CC2=C1C(=O)C3=C(O2)C=C(C(=C3O)CC=C(C)C)O)O)OC)/C)C",{"v":4.427128398,"d":"4.43"}]
[84,"3,3-Bis(1H-indole-3-yl)-5-bromo-2-indolinone",11775074,"C1=CC=C2C(=C1)C(=CN2)C3(C4=C(C=CC(=C4)Br)NC3=O)C5=CNC6=CC=CC=C65",{"v":5.229147988,"d":"5.23"}]
[85,"Chembl4473482",13397330,"C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5",{"v":5.552841969,"d":"5.55"}]
[86,"Chembl4566850",14356503,"CC1=CC=C(C=C1)/C=N/NC(=O)C2=CC3=CC=CC=C3OC2=O",{"v":5.958607315,"d":"5.96"}]
[87,"Chembl4165370",14356507,"COC1=CC=C(C=C1)/C=N/NC(=O)C2=CC3=CC=CC=C3OC2=O",{"v":5.958607315,"d":"5.96"}]
[88,"Chembl4513806",16095414,"C1=CC=C(C=C1)C(=O)C[C@@H](C2=CC=C(C=C2)Cl)C3=CNC4=CC=CC=C43",{"v":5.366531544,"d":"5.37"}]
[89,"(3S)-3-(1H-Indol-3-yl)-1,3-diphenylpropan-1-one",16095545,"C1=CC=C(C=C1)[C@H](CC(=O)C2=CC=CC=C2)C3=CNC4=CC=CC=C43",{"v":5.366531544,"d":"5.37"}]
[90,"Chembl4525900",16095547,"COC1=CC=C(C=C1)[C@H](CC(=O)C2=CC=CC=C2)C3=CNC4=CC=CC=C43",{"v":5.366531544,"d":"5.37"}]
[91,"15-Benzylidene-14-deoxy-11,12-didehydroandrographolide",16121613,"C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C3=C/C(=C/C4=CC=CC=C4)/OC3=O)(C)CO)O",{"v":4.236572006,"d":"4.24"}]
[92,"15-(Benzo[1,3]dioxole-5-methanylidene)-14-deoxy-11,12-didehydroandrographolide",16121614,"C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C3=C/C(=C/C4=CC5=C(C=C4)OCO5)/OC3=O)(C)CO)O",{"v":4.086186148,"d":"4.09"}]
[93,"Chembl4472969",16386607,"C1=CC=C2C(=C1)N=CN2C3=CC=C(C=C3)/C=C/4\\C(=O)NC(=O)S4",{"v":6.259637311,"d":"6.26"}]
[94,"Chembl4466501",17603805,"C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C4=NN=C(S4)N",{"v":5.638272164,"d":"5.64"}]
[95,"Chembl4468056",17603827,"C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN=C(S3)N",{"v":5.638272164,"d":"5.64"}]
[96,"(1R,3S,6R)-4-Hydroxymethyl-6-octylamino-cyclohex-4-ene-1,2,3-triol",21021619,"CCCCCCCCNC1C=C(C(C(C1O)O)O)CO",{"v":4.769551079,"d":"4.77"}]
[97,"2-(4-Fluorophenyl)-4-methyl-1H-1,3-benzodiazole",21682292,"CC1=C2C(=CC=C1)NC(=N2)C3=CC=C(C=C3)F",{"v":5.27572413,"d":"5.28"}]
[98,"Chembl4209575",23538861,"CC(=CCOC1=CC=C(C=C1)C2=C(C=C(C(=C2O)OC)C3=CC=C(C=C3)O)OC)C",{"v":4.756961951,"d":"4.76"}]
[99,"Prenylterphenyllin",23630784,"CC(=CCC1=C(C=CC(=C1)C2=C(C=C(C(=C2O)OC)C3=CC=C(C=C3)O)OC)O)C",{"v":4.590066877,"d":"4.59"}]
[100,"Chembl4544393",23793555,"COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5",{"v":5.552841969,"d":"5.55"}]
[101,"Chembl4435535",24796417,"C1=CC(=CC=C1/C=N/C2=NN=C(S2)C3=CC=C(C=C3)Cl)[N+](=O)[O-]",{"v":5.638272164,"d":"5.64"}]
[102,"3,3-Bis(1H-indole-3-yl)-5-methyl-2-indolinone",24873940,"CC1=CC2=C(C=C1)NC(=O)C2(C3=CNC4=CC=CC=C43)C5=CNC6=CC=CC=C65",{"v":5.229147988,"d":"5.23"}]
[103,"Aspernolide A",25265784,"CC1(CCC2=C(O1)C=CC(=C2)C[C@@]3(C(=C(C(=O)O3)O)C4=CC=C(C=C4)O)C(=O)OC)C",{"v":4.324863496,"d":"4.32"}]
[104,"(1R,3S,6R)-6-Hexylamino-4-hydroxymethyl-cyclohex-4-ene-1,2,3-triol",44384057,"CCCCCCNC1C=C(C(C(C1O)O)O)CO",{"v":4.301029996,"d":"4.30"}]
[105,"(S)-3-(2-((4Ar,6aS,7R,10aS,10bR)-3-(3-bromophenyl)-6a,10b-dimethyl-8-methylene-decahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl)ethylidene)-4-hydroxy-dihydrofuran-2(3H)-one",44411113,"C[C@@]12CC[C@@H]3[C@]([C@H]1CCC(=C)[C@H]2C/C=C/4\\[C@@H](COC4=O)O)(COC(O3)C5=CC(=CC=C5)Br)C",{"v":4,"d":"4.00"}]
[106,"3-(2-((1R,4As,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-decahydronaphthalen-1-yl)vinyl)-5-(3-phenylallylidene)furan-2(5H)-one",44411422,"C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C3=C/C(=C/C=C/C4=CC=CC=C4)/OC3=O)(C)CO)O",{"v":4.236572006,"d":"4.24"}]
[107,"14-Deoxy-11,12-didehydro-15-trimethoxylbenzylideneandrographolide",44437482,"C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C3=C/C(=C/C4=CC(=C(C=C4OC)OC)OC)/OC3=O)(C)CO)O",{"v":4.075720714,"d":"4.08"}]
[108,"14-Deoxy-15-(p-(dimethanylamino)-benzylidene)-11,12-didehydroandrographolide",44437483,"C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C3=C/C(=C/C4=CC=C(C=C4)N(C)C)/OC3=O)(C)CO)O",{"v":4.15490196,"d":"4.15"}]
[109,"14-Deoxy-11,12-didehydro-15-(-2-furanmethanylidene)-andrographolide",44437486,"C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C3=C/C(=C/C4=CC=CO4)/OC3=O)(C)CO)O",{"v":4,"d":"4.00"}]
[110,"[(1R,2R,4Ar,5R,8aS)-1,4a-dimethyl-6-methylidene-5-[(E)-2-[(5E)-5-[(2E,7E)-2-methylnona-2,7-dienylidene]-2-oxofuran-3-yl]ethenyl]-2-(pyridine-3-carbonyloxy)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl pyridine-3-carboxylate",44437487,"C/C=C/CCC/C=C(\\C)/C=C/1\\C=C(C(=O)O1)/C=C/[C@@H]2C(=C)CC[C@H]3[C@]2(CC[C@H]([C@@]3(C)COC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5)C",{"v":4.552841969,"d":"4.55"}]
[111,"15-Benzylidene14-deoxy-11,12-didehydro-3,19-dinicotinateandrographolide",44437488,"C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C3=C/C(=C\\C4=CC=CC=C4)/OC3=O)(C)COC(=O)C5=CN=CC=C5)OC(=O)C6=CN=CC=C6",{"v":4.795880017,"d":"4.80"}]
[112,"[(1R,2R,4Ar,5R,8aS)-5-[(E)-2-[(5E)-5-[(4-chlorophenyl)methylidene]-2-oxofuran-3-yl]ethenyl]-1,4a-dimethyl-6-methylidene-2-(pyridine-3-carbonyloxy)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl pyridine-3-carboxylate",44437489,"C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C3=C/C(=C\\C4=CC=C(C=C4)Cl)/OC3=O)(C)COC(=O)C5=CN=CC=C5)OC(=O)C6=CN=CC=C6",{"v":5.22184875,"d":"5.22"}]
[113,"[(1R,2R,4Ar,5R,8aS)-5-[(E)-2-[(5E)-5-[(3-bromophenyl)methylidene]-2-oxofuran-3-yl]ethenyl]-1,4a-dimethyl-6-methylidene-2-(pyridine-3-carbonyloxy)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl pyridine-3-carboxylate",44437490,"C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C3=C/C(=C\\C4=CC(=CC=C4)Br)/OC3=O)(C)COC(=O)C5=CN=CC=C5)OC(=O)C6=CN=CC=C6",{"v":4.853871964,"d":"4.85"}]
[114,"[(1R,2R,4Ar,5R,8aS)-5-[(E)-2-[(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-oxofuran-3-yl]ethenyl]-1,4a-dimethyl-6-methylidene-2-(pyridine-3-carbonyloxy)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl pyridine-3-carboxylate",44437491,"C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C3=C/C(=C\\C4=CC=C(C=C4)N(C)C)/OC3=O)(C)COC(=O)C5=CN=CC=C5)OC(=O)C6=CN=CC=C6",{"v":4.602059991,"d":"4.60"}]
[115,"[(1R,2R,4Ar,5R,8aS)-5-[(E)-2-[(5Z)-5-(furan-2-ylmethylidene)-2-oxofuran-3-yl]ethenyl]-1,4a-dimethyl-6-methylidene-2-(pyridine-3-carbonyloxy)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl pyridine-3-carboxylate",44437492,"C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C3=C/C(=C/C4=CC=CO4)/OC3=O)(C)COC(=O)C5=CN=CC=C5)OC(=O)C6=CN=CC=C6",{"v":4.443697499,"d":"4.44"}]
[116,"[(1R,2R,4Ar,5R,8aS)-5-[(E)-2-[(5E)-5-[(4-methoxyphenyl)methylidene]-2-oxofuran-3-yl]ethenyl]-1,4a-dimethyl-6-methylidene-2-(pyridine-3-carbonyloxy)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl pyridine-3-carboxylate",44437493,"C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C3=C/C(=C\\C4=CC=C(C=C4)OC)/OC3=O)(C)COC(=O)C5=CN=CC=C5)OC(=O)C6=CN=CC=C6",{"v":4.958607315,"d":"4.96"}]
[117,"Chembl4214309",51042112,"CC(=CCC/C(=C/COC1=C(C(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)O)O)CC=C(C)C)/C)C",{"v":4.54668166,"d":"4.55"}]
[118,"Chembl4549420",53375223,"C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)N/N=C/C3=CC=CC=C3[N+](=O)[O-]",{"v":5.958607315,"d":"5.96"}]
[119,"(2R,3S,4S)-1-[(2S,3S)-3-Ethoxy-2,4-dihydroxybutyl]-2-(hydroxymethyl)thiolan-1-ium-3,4-diol;chloride",54580834,"CCO[C@@H](CO)[C@@H](C[S+]1C[C@H]([C@@H]([C@H]1CO)O)O)O.[Cl-]",{"v":6.017728767,"d":"6.02"}]
[120,"(5S,8R,9S,10S,13S,14S,17S)-17-Hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one;(8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one",54584900,"C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4[C@@]3(CCC(=O)C4)C",{"v":4,"d":"4.00"}]
[121,"(2R,3S,4S)-1-[(2S,3S)-2,4-Dihydroxy-3-tridecoxybutyl]-2-(hydroxymethyl)thiolan-1-ium-3,4-diol;chloride",54586701,"CCCCCCCCCCCCCO[C@@H](CO)[C@@H](C[S+]1C[C@H]([C@@H]([C@H]1CO)O)O)O.[Cl-]",{"v":5.958607315,"d":"5.96"}]
[122,"(2R,3S,4S)-1-[(2S,3S)-2,4-Dihydroxy-3-methoxybutyl]-2-(hydroxymethyl)thiolan-1-ium-3,4-diol;chloride",54587740,"CO[C@@H](CO)[C@@H](C[S+]1C[C@H]([C@@H]([C@H]1CO)O)O)O.[Cl-]",{"v":5.698970004,"d":"5.70"}]
[123,"Chembl4579201",54941384,"CC1=C2C(=CC=C1)NC(=N2)C3=CC(=CC=C3)O",{"v":5.27572413,"d":"5.28"}]
[124,"2-(2-Fluorophenyl)-4-methyl-1h-benzimidazole",59018257,"CC1=C2C(=CC=C1)NC(=N2)C3=CC=CC=C3F",{"v":5.27572413,"d":"5.28"}]
[125,"2-(4-Chlorophenyl)-4-methyl-1H-benzimidazole",59018388,"CC1=C2C(=CC=C1)NC(=N2)C3=CC=C(C=C3)Cl",{"v":5.27572413,"d":"5.28"}]
[126,"(2R,3S,4S)-1-[(2S,3S)-2,4-Dihydroxy-3-[(2-nitrophenyl)methoxy]butyl]-2-(hydroxymethyl)thiolan-1-ium-3,4-diol;chloride",60201905,"C1[C@H]([C@@H]([C@H]([S+]1C[C@H]([C@H](CO)OCC2=CC=CC=C2[N+](=O)[O-])O)CO)O)O.[Cl-]",{"v":6.823908741,"d":"6.82"}]
[127,"Chembl4567754",60646299,"CC1=C2C(=CC=C1)NC(=N2)C3=CC=CS3",{"v":5.27572413,"d":"5.28"}]
[128,"2-(3-Chlorophenyl)-4-methyl-1H-1,3-benzodiazole",60646448,"CC1=C2C(=CC=C1)NC(=N2)C3=CC(=CC=C3)Cl",{"v":5.27572413,"d":"5.28"}]
[129,"2-(3-Fluorophenyl)-4-methyl-1H-1,3-benzodiazole",60646537,"CC1=C2C(=CC=C1)NC(=N2)C3=CC(=CC=C3)F",{"v":5.27572413,"d":"5.28"}]
[130,"Chembl4585914",60746809,"C1=CC=C2C(=C1)N=NN2CC(=O)C3=CC(=CC=C3)Br",{"v":5.554395797,"d":"5.55"}]
[131,"Chembl4567315",60747003,"C1=CC=C2C(=C1)N=NN2CC(=O)C3=CC(=C(C=C3)Cl)Cl",{"v":5.408935393,"d":"5.41"}]
[132,"(1S,2S,3R,6S)-6-[[(2R,3S,4S,5R,6S)-4,5-Dihydroxy-6-methoxy-2-methyloxan-3-yl]amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol",70682078,"C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC)O)O)N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO",{"v":5.494850022,"d":"5.49"}]
[133,"(1S,2S,3R,6S)-6-[[(2S,3S,4S,5R,6S)-4,5-Dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol",70684192,"CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO)O)O",{"v":5.142667504,"d":"5.14"}]
[134,"(1S,2S,3R,4S,5S)-5-[[(2R,3R,4S,5R,6S)-4,5-Dihydroxy-6-methoxy-2-methyloxan-3-yl]amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol",70688441,"C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC)O)O)N[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O",{"v":6.187086643,"d":"6.19"}]
[135,"(1S,2S,3R,4S,5S)-1-(Hydroxymethyl)-5-[[(1S,2S,3S,4S,6S)-2,3,4-trihydroxy-6-methylcyclohexyl]amino]cyclohexane-1,2,3,4-tetrol",70688442,"C[C@H]1C[C@@H]([C@@H]([C@H]([C@H]1N[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O)O)O)O",{"v":7.167491087,"d":"7.17"}]
[136,"(1S,2S,3R,4S,5S)-5-[[(1S,2S,3S,4S,6S)-4-Amino-2,3-dihydroxy-6-methylcyclohexyl]amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol",70688446,"C[C@H]1C[C@@H]([C@@H]([C@H]([C@H]1N[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O)O)O)N",{"v":5.823908741,"d":"5.82"}]
[137,"(1S,2S,3R,4S,5S)-5-[[(2S,3R,4S,5R,6S)-4,5-Dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol",70692637,"CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)N[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O)O)O",{"v":7,"d":"7.00"}]
[138,"(1Z,4E)-5-(3,4-Dihydroxyphenyl)-1-hydroxy-1-(2-hydroxyphenyl)penta-1,4-dien-3-one",71569087,"C1=CC=C(C(=C1)/C(=C/C(=O)/C=C/C2=CC(=C(C=C2)O)O)/O)O",{"v":4.844663963,"d":"4.84"}]
[139,"1-Hydroxymethyl-5-(2-hydroxy-1-phenyl-ethylamino)-cyclohexane-1,2,3,4-tetraol",73347264,"C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)N[C@H](CO)C2=CC=CC=C2",{"v":4.468521083,"d":"4.47"}]
[140,"1-Hydroxymethyl-5-(2-hydroxy-2-phenyl-ethylamino)-cyclohexane-1,2,3,4-tetraol",73350356,"C1[C@@H]([C@@H]([C@@H]([C@H]([C@]1(CO)O)O)O)O)NC[C@@H](C2=CC=CC=C2)O",{"v":8.236572006,"d":"8.24"}]
[141,"Chembl4238409",78168139,"CCC1C(C(C(C(N1)CC)O)O)O",{"v":5,"d":"5.00"}]
[142,"Chembl4550935",78908128,"CC1=C2C(=CC=C1)NC(=N2)C3=CC(=C(C=C3)OC)O",{"v":5.27572413,"d":"5.28"}]
[143,"Chembl4449615",84410102,"CC1=CC2=C(C=C1C)N(N=N2)CC(=O)C3=CC=C(C=C3)Cl",{"v":5.655607726,"d":"5.66"}]
[144,"Chembl4443687",84410550,"CC1=CC2=C(C=C1C)N(N=N2)CC(=O)C3=CC=CC=C3",{"v":5.467245621,"d":"5.47"}]
[145,"Chembl4237960",89495334,"C1=CN(C(=O)N=C1N)C2[C@@H]([C@@H](C(O2)CO)O)O",{"v":5.602059991,"d":"5.60"}]
[146,"Chembl4451474",101671063,"CC(=CCC/C(=C/CC1=C(C(=CC2=C1C(=O)C3=C(O2)C=C(C(=C3O)C/C=C(\\C)/CO)O)O)OC)/C)C",{"v":4.542118103,"d":"4.54"}]
[147,"5-(2-Hydroxy-cyclohexylamino)-1-hydroxymethyl-cyclohexane-1,2,3,4-tetraol",101872894,"C1CC[C@H]([C@@H](C1)N[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O)O",{"v":8.214670165,"d":"8.21"}]
[148,"(2R)-1-[4,4-Difluoro-5-(1,1'-biphenyl-4-ylmethoxy)pentyl]-2alpha-(hydroxymethyl)piperidine-3beta,4alpha,5beta-triol",101882899,"C1[C@@H]([C@H]([C@@H]([C@H](N1CCCC(COCC2=CC=C(C=C2)C3=CC=CC=C3)(F)F)CO)O)O)O",{"v":5.045757491,"d":"5.05"}]
[149,"Cratoxylone",102004659,"CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(O2)C=C(C(=C3O)CCC(C)(C)O)O)O)OC)C",{"v":4.512861625,"d":"4.51"}]
[150,"Chembl4440152",102432416,"CC1=CC=C(C=C1)[C@H](CC(=O)C2=CC3=CC=CC=C3C=C2)C4=CNC5=CC=CC=C54",{"v":5.366531544,"d":"5.37"}]
[151,"Chembl4439503",102432417,"C1=CC=C(C=C1)[C@H](CC(=O)C2=CC3=CC=CC=C3C=C2)C4=CNC5=CC=CC=C54",{"v":5.366531544,"d":"5.37"}]
[152,"Chembl4202640",102519726,"CC(=C)C(CC/C(=C/COC1=CC2=C(C=C1)OC3=CC(=CC(=C3C2=O)O)O)/C)O",{"v":4.863279433,"d":"4.86"}]
[153,"(2R,3R,4R,5S)-2-(Hydroxymethyl)-1-[5-[[4-phenyl-3-(trifluoromethyl)phenyl]methoxy]pentyl]piperidine-3,4,5-triol",118411068,"C1[C@@H]([C@H]([C@@H]([C@H](N1CCCCCOCC2=CC(=C(C=C2)C3=CC=CC=C3)C(F)(F)F)CO)O)O)O",{"v":5.15490196,"d":"5.15"}]
[154,"(2R,3R,4R,5S)-2-(Hydroxymethyl)-1-[5-[[4-phenyl-2-(trifluoromethyl)phenyl]methoxy]pentyl]piperidine-3,4,5-triol",118411071,"C1[C@@H]([C@H]([C@@H]([C@H](N1CCCCCOCC2=C(C=C(C=C2)C3=CC=CC=C3)C(F)(F)F)CO)O)O)O",{"v":5.096910013,"d":"5.10"}]
[155,"(2R,3R,4R,5S)-1-[5-[(2-Fluoro-4-phenylphenyl)methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol",118411072,"C1[C@@H]([C@H]([C@@H]([C@H](N1CCCCCOCC2=C(C=C(C=C2)C3=CC=CC=C3)F)CO)O)O)O",{"v":5.602059991,"d":"5.60"}]
[156,"(2R,3R,4R,5S)-2-(Hydroxymethyl)-1-[5-[(4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol",118411073,"C1[C@@H]([C@H]([C@@H]([C@H](N1CCCCCOCC2=CC=C(C=C2)C3=CC=CC=C3)CO)O)O)O",{"v":5.698970004,"d":"5.70"}]
[157,"(2R,3R,4R,5S)-1-[5-[(3-Fluoro-4-phenylphenyl)methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol",118411074,"C1[C@@H]([C@H]([C@@H]([C@H](N1CCCCCOCC2=CC(=C(C=C2)C3=CC=CC=C3)F)CO)O)O)O",{"v":5.522878745,"d":"5.52"}]
[158,"(2R,3R,4R,5S)-2-(Hydroxymethyl)-1-[5-[(2-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol",118411076,"C1[C@@H]([C@H]([C@@H]([C@H](N1CCCCCOCC2=CC=CC=C2C3=CC=CC=C3)CO)O)O)O",{"v":5.823908741,"d":"5.82"}]
[159,"(1S,2S,3R,4S,5S)-5-[Bis(hydroxymethyl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol",118718367,"C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)N(CO)CO",{"v":7.823908741,"d":"7.82"}]
[160,"5-(Cyclohexylmethyl-amino)-1-hydroxymethyl-cyclohexane-1,2,3,4-tetraol",118718368,"C1CCC(CC1)CN[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O",{"v":6.619788758,"d":"6.62"}]
[161,"5-Cyclohexylamino-1-hydroxymethyl-cyclohexane-1,2,3,4-tetraol",118718369,"C1CCC(CC1)N[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O",{"v":6.387216143,"d":"6.39"}]
[162,"5-(4-Bromo-benzylamino)-1-hydroxymethyl-cyclohexane-1,2,3,4-tetraol",118718370,"C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)NCC2=CC=C(C=C2)Br",{"v":6.638272164,"d":"6.64"}]
[163,"6-(2-Hydroxy-1-hydroxymethyl-ethylamino)-4-hydroxymethyl-cyclohex-4-ene-1,2,3-triol",118718371,"C1=C([C@H]([C@@H]([C@H]([C@H]1NC(CO)CO)O)O)O)CO",{"v":5.229147988,"d":"5.23"}]
[164,"1-Hydroxymethyl-5-phenethylamino-cyclohexane-1,2,3,4-tetraol",118718372,"C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)NCCC2=CC=CC=C2",{"v":7,"d":"7.00"}]
[165,"5-(3,7-Dimethyl-octa-2,6-dienylamino)-1-hydroxymethyl-cyclohexane-1,2,3,4-tetraol",118718373,"CC(=CCC/C(=C/CN[C@H]1C[C@@]([C@H]([C@@H]([C@H]1O)O)O)(CO)O)/C)C",{"v":6.283996656,"d":"6.28"}]
[166,"1-Hydroxymethyl-5-[(thiophen-2-ylmethyl)-amino]-cyclohexane-1,2,3,4-tetraol",118718375,"C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)NCC2=CC=CS2",{"v":6.698970004,"d":"6.70"}]
[167,"5-(3,5-Di-tert-butyl-4-hydroxy-benzylamino)-1-hydroxymethyl-cyclohexane-1,2,3,4-tetraol",118718376,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN[C@H]2C[C@@]([C@H]([C@@H]([C@H]2O)O)O)(CO)O",{"v":7.366531544,"d":"7.37"}]
[168,"1-Hydroxymethyl-5-(3-phenyl-allylamino)-cyclohexane-1,2,3,4-tetraol",118718377,"C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)NC/C=C/C2=CC=CC=C2",{"v":6.568636236,"d":"6.57"}]
[169,"1-Hydroxymethyl-5-[(pyridin-3-ylmethyl)-amino]-cyclohexane-1,2,3,4-tetraol",118718379,"C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)NCC2=CN=CC=C2",{"v":6.48148606,"d":"6.48"}]
[170,"(2R,3R,4R,5S)-2-(Hydroxymethyl)-1-[5-[(3-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol",118719919,"C1[C@@H]([C@H]([C@@H]([C@H](N1CCCCCOCC2=CC(=CC=C2)C3=CC=CC=C3)CO)O)O)O",{"v":5.823908741,"d":"5.82"}]
[171,"(2R,3R,4R,5S)-2-(Hydroxymethyl)-1-[5-[(1S)-1-(4-phenylphenyl)ethoxy]pentyl]piperidine-3,4,5-triol",118720302,"C[C@@H](C1=CC=C(C=C1)C2=CC=CC=C2)OCCCCCN3C[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O",{"v":5.602059991,"d":"5.60"}]
[172,"4-(1,3-Benzothiazol-2-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide",118730249,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C(=O)N/N=C\\C4=CC=CC=N4",{"v":4.990124366,"d":"4.99"}]
[173,"4-(1,3-Benzothiazol-2-yl)-N-[(E)-thiophen-2-ylmethylideneamino]benzamide",118730252,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C(=O)N/N=C/C4=CC=CS4",{"v":5.071604148,"d":"5.07"}]
[174,"4-(1,3-Benzothiazol-2-yl)-N-[(Z)-furan-2-ylmethylideneamino]benzamide",118730256,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C(=O)N/N=C\\C4=CC=CO4",{"v":4.894489815,"d":"4.89"}]
[175,"4-(1,3-Benzothiazol-2-yl)-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide",118730261,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C(=O)N/N=C/C4=CC=C(C=C4)[N+](=O)[O-]",{"v":4.578725209,"d":"4.58"}]
[176,"4-(1,3-Benzothiazol-2-yl)-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide",118730263,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C(=O)N/N=C/C4=CC=C(C=C4)F",{"v":5.147520006,"d":"5.15"}]
[177,"4-(1,3-Benzothiazol-2-yl)-N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]benzamide",118730264,"COC1=CC(=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)OC",{"v":4.79128998,"d":"4.79"}]
[178,"4-(1,3-Benzothiazol-2-yl)-N-[(E)-benzylideneamino]benzamide",118730265,"C1=CC=C(C=C1)/C=N/NC(=O)C2=CC=C(C=C2)C3=NC4=CC=CC=C4S3",{"v":5.09420412,"d":"5.09"}]
[179,"4-(1,3-Benzothiazol-2-yl)-N-[(E)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide",118730266,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C(=O)N/N=C/C4=CC(=C(C=C4)F)Br",{"v":4.552531869,"d":"4.55"}]
[180,"4-(1,3-Benzothiazol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide",118730267,"COC1=CC=C(C=C1)/C=N/NC(=O)C2=CC=C(C=C2)C3=NC4=CC=CC=C4S3",{"v":4.736837535,"d":"4.74"}]
[181,"4-(1,3-Benzothiazol-2-yl)-N-[(E)-(4-chlorophenyl)methylideneamino]benzamide",118730270,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C(=O)N/N=C/C4=CC=C(C=C4)Cl",{"v":5.274905479,"d":"5.27"}]
[182,"4-(1,3-Benzothiazol-2-yl)-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide",118730271,"COC1=CC=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)C3=NC4=CC=CC=C4S3",{"v":4.955068454,"d":"4.96"}]
[183,"4-(1,3-Benzothiazol-2-yl)-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzamide",118730272,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C(=O)N/N=C/C4=CC(=CC=C4)O",{"v":5.03574037,"d":"5.04"}]
[184,"4-(1,3-Benzothiazol-2-yl)-N-[(E)-(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]benzamide",118730275,"COC1=C(C(=C(C=C1)/C=N/NC(=O)C2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)I)O",{"v":4.348721986,"d":"4.35"}]
[185,"4-(1,3-Benzothiazol-2-yl)-N-[(E)-(3,5-dihydroxyphenyl)methylideneamino]benzamide",118730277,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C(=O)N/N=C/C4=CC(=CC(=C4)O)O",{"v":4.953895213,"d":"4.95"}]
[186,"Chembl4442533",118855492,"C1=CC=C2C(=C1)C=C(N2)C(=O)N/N=C/C3=CC(=CC(=C3)O)O",{"v":5.638272164,"d":"5.64"}]
[187,"Chembl4533183",118855494,"COC1=C(C=C(C=C1)/C=N/NC(=O)C2=CC3=CC=CC=C3N2)O",{"v":5.638272164,"d":"5.64"}]
[188,"Chembl4533603",118855496,"COC1=C(C(=C(C=C1)/C=N/NC(=O)C2=CC3=CC=CC=C3N2)I)O",{"v":5.638272164,"d":"5.64"}]
[189,"Chembl4538234",119081250,"COC1=CC=C(C=C1)/C=N/NC(=O)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O",{"v":5.207608311,"d":"5.21"}]
[190,"Chembl4583678",119081260,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C(=O)N/N=C/C4=CC=C(C=C4)Cl",{"v":5.207608311,"d":"5.21"}]
[191,"Chembl4456697",119081261,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C(=O)N/N=C/C4=CC(=CC=C4)Cl",{"v":5.207608311,"d":"5.21"}]
[192,"Chembl4435153",119081262,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C(=O)N/N=C/C4=CC=C(C=C4)C(F)(F)F",{"v":5.207608311,"d":"5.21"}]
[193,"Chembl4521797",119081263,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C(=O)N/N=C/C4=CC=CC=C4F",{"v":5.207608311,"d":"5.21"}]
[194,"Chembl4453289",119081264,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C(=O)N/N=C/C4=CC(=CC=C4)Br",{"v":5.207608311,"d":"5.21"}]
[195,"Chembl4468721",119081265,"COC1=CC=CC=C1/C=N/NC(=O)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O",{"v":5.207608311,"d":"5.21"}]
[196,"Chembl4452388",121225769,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C(=O)N/N=C/C4=CC(=CC=C4)F",{"v":5.207608311,"d":"5.21"}]
[197,"N-[(E)-(4-Nitrophenyl)methylideneamino]-2-oxochromene-3-carboxamide",122181573,"C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)N/N=C/C3=CC=C(C=C3)[N+](=O)[O-]",{"v":5.958607315,"d":"5.96"}]
[198,"[(3E)-3-[(3,4-Dihydroxyphenyl)methylidene]-2-hydroxycyclohexen-1-yl]-phenylmethanone",122185117,"C1C/C(=C\\C2=CC(=C(C=C2)O)O)/C(=C(C1)C(=O)C3=CC=CC=C3)O",{"v":4.387216143,"d":"4.39"}]
[199,"2-[4-(Trifluoromethyl)phenyl]-3-(1,4,5-triphenylimidazol-2-yl)-1H-indole",122191974,"C1=CC=C(C=C1)C2=C(N(C(=N2)C3=C(NC4=CC=CC=C43)C5=CC=C(C=C5)C(F)(F)F)C6=CC=CC=C6)C7=CC=CC=C7",{"v":5.080921908,"d":"5.08"}]
[200,"Chembl4590962",126715487,"CC1=CC=C(C=C1)[C@H](CC(=O)C2=CC=CC=C2)C3=CNC4=CC=CC=C43",{"v":5.366531544,"d":"5.37"}]
[201,"Chembl4441979",126715488,"COC1=CC=C(C=C1)[C@H](CC(=O)C2=CC3=CC=CC=C3C=C2)C4=CNC5=CC=CC=C54",{"v":5.366531544,"d":"5.37"}]
[202,"Chembl4456998",126715493,"C1=CC=C(C=C1)C(=O)C[C@@H](C2=CC=CS2)C3=CNC4=CC=CC=C43",{"v":5.366531544,"d":"5.37"}]
[203,"Chembl4473090",126715501,"C1=CC=C2C=C(C=CC2=C1)C(=O)C[C@@H](C3=CC=C(C=C3)Cl)C4=CNC5=CC=CC=C54",{"v":5.366531544,"d":"5.37"}]
[204,"Chembl4445238",126962135,"C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C4(C5=CC=CC=C5NC4=O)C6=CN(C7=CC=CC=C76)CC8=CC=CC=C8",{"v":5.229147988,"d":"5.23"}]
[205,"Chembl4564310",126962136,"C1=CC=C2C(=C1)C(=CN2CC3=CC(=CC=C3)F)C4(C5=CC=CC=C5NC4=O)C6=CN(C7=CC=CC=C76)CC8=CC(=CC=C8)F",{"v":5.229147988,"d":"5.23"}]
[206,"Chembl4460080",126962137,"C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Br)C4(C5=CC=CC=C5NC4=O)C6=CN(C7=CC=CC=C76)CC8=CC=C(C=C8)Br",{"v":5.229147988,"d":"5.23"}]
[207,"(2R,3S,4S)-1-[(2S,3S)-3-(2,2-Dimethylpropoxy)-2,4-dihydroxybutyl]-2-(hydroxymethyl)thiolan-1-ium-3,4-diol;chloride",127048314,"CC(C)(C)CO[C@@H](CO)[C@@H](C[S+]1C[C@H]([C@@H]([C@H]1CO)O)O)O.[Cl-]",{"v":6.327902142,"d":"6.33"}]
[208,"(2R,3S,4S)-1-[(2S,3S)-2,4-Dihydroxy-3-(2-methylpropoxy)butyl]-2-(hydroxymethyl)thiolan-1-ium-3,4-diol;chloride",127051169,"CC(C)CO[C@@H](CO)[C@@H](C[S+]1C[C@H]([C@@H]([C@H]1CO)O)O)O.[Cl-]",{"v":6.161150909,"d":"6.16"}]
[209,"(2R,3S,4S)-1-[(2S,3S)-2,4-Dihydroxy-3-pentoxybutyl]-2-(hydroxymethyl)thiolan-1-ium-3,4-diol;chloride",127052422,"CCCCCO[C@@H](CO)[C@@H](C[S+]1C[C@H]([C@@H]([C@H]1CO)O)O)O.[Cl-]",{"v":5.823908741,"d":"5.82"}]
[210,"(2R,3S,4S)-1-[(2S,3S)-3-Heptoxy-2,4-dihydroxybutyl]-2-(hydroxymethyl)thiolan-1-ium-3,4-diol;chloride",127052423,"CCCCCCCO[C@@H](CO)[C@@H](C[S+]1C[C@H]([C@@H]([C@H]1CO)O)O)O.[Cl-]",{"v":6.193820026,"d":"6.19"}]
[211,"Chembl4575035",127053745,"C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)C4(C5=CC=CC=C5NC4=O)C6=CN(C7=CC=CC=C76)CC8=CC=CC=C8Cl)Cl",{"v":5.229147988,"d":"5.23"}]
[212,"Chembl4436320",127053746,"C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)C4(C5=CC=CC=C5NC4=O)C6=CN(C7=CC=CC=C76)CC8=CC=CC=C8F)F",{"v":5.229147988,"d":"5.23"}]
[213,"Chembl4443865",127053747,"CCCN1C=C(C2=CC=CC=C21)C3(C4=CC=CC=C4NC3=O)C5=CN(C6=CC=CC=C65)CCC",{"v":5.229147988,"d":"5.23"}]
[214,"Chembl4435550",127053748,"CC(C)N1C=C(C2=CC=CC=C21)C3(C4=CC=CC=C4NC3=O)C5=CN(C6=CC=CC=C65)C(C)C",{"v":5.229147988,"d":"5.23"}]
[215,"Chembl4550304",127053749,"CCCCN1C=C(C2=CC=CC=C21)C3(C4=CC=CC=C4NC3=O)C5=CN(C6=CC=CC=C65)CCCC",{"v":5.229147988,"d":"5.23"}]
[216,"Chembl4436361",127053750,"CC(C)CN1C=C(C2=CC=CC=C21)C3(C4=CC=CC=C4NC3=O)C5=CN(C6=CC=CC=C65)CC(C)C",{"v":5.229147988,"d":"5.23"}]
[217,"5-[(3,4-Dihydro-2,2-dimethyl-2H-1-benzopyran-6-yl)methyl]-3-hydroxy-4-(4-hydroxyphenyl)-2(5H)-furanone",129774355,"CC1(CCC2=C(O1)C=CC(=C2)CC3C(=C(C(=O)O3)O)C4=CC=C(C=C4)O)C",{"v":4.933674075,"d":"4.93"}]
[218,"Chembl4528814",132522820,"C1=CC(=CC(=C1)F)C2=C(N=NC(=N2)SCC(COC3=CC4=C(C=C3)C=CC(=O)O4)O)C5=CC(=CC=C5)F",{"v":4.494850022,"d":"4.49"}]
[219,"Chembl4587989",132522821,"C1=CC(=CC2=C1C=CC(=O)O2)OCC(CSC3=NC(=C(N=N3)C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)O",{"v":4.494850022,"d":"4.49"}]
[220,"Chembl4469981",132522822,"C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(COC3=CC4=C(C=C3)C=CC(=O)O4)O)C5=CC=CC=C5",{"v":4.494850022,"d":"4.49"}]
[221,"Chembl4579423",132522823,"C1=COC(=C1)C2=C(N=NC(=N2)SCC(COC3=CC4=C(C=C3)C=CC(=O)O4)O)C5=CC=CO5",{"v":4.494850022,"d":"4.49"}]
[222,"Chembl4568819",132522824,"C1=CC=C2C(=C1)C=C(C(=O)O2)OCC(CSC3=NC(=C(N=N3)C4=CC=CO4)C5=CC=CO5)O",{"v":4.494850022,"d":"4.49"}]
[223,"Chembl4558577",132522825,"C1=CC=C2C(=C1)C=C(C(=O)O2)OCC(CSC3=NC(=C(N=N3)C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)O",{"v":4.494850022,"d":"4.49"}]
[224,"Chembl4446517",132522826,"C1=CC=C2C(=C1)C=C(C(=O)O2)OCC(CSC3=NC(=C(N=N3)C4=CC(=CC=C4)Br)C5=CC(=CC=C5)Br)O",{"v":4.494850022,"d":"4.49"}]
[225,"Flavipesolide B",132577715,"CC1(CCC2=C(O1)C=CC(=C2)CC3=C([C@](OC3=O)(C(=O)OC)O)C4=CC=C(C=C4)O)C",{"v":4.987162775,"d":"4.99"}]
[226,"Flavipesolide C",132577716,"CC1(CCC2=C(O1)C=CC(=C2)CC3=C([C@](OC3=O)(C(=O)O)O)C4=CC=C(C=C4)O)C",{"v":5.117475462,"d":"5.12"}]
[227,"2-[4-[[2-(2-Methoxyphenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(4-methylphenyl)acetamide",134131791,"CC1=CC=C(C=C1)NC(=O)CN2C=C(N=N2)CN3C(=C(N=C3C4=CC=CC=C4OC)C5=CC=CC=C5)C6=CC=CC=C6",{"v":4.823908741,"d":"4.82"}]
[228,"N-(2,4-Dichlorophenyl)-2-[4-[[2-(4-fluorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]acetamide",134133547,"C1=CC=C(C=C1)C2=C(N(C(=N2)C3=CC=C(C=C3)F)CC4=CN(N=N4)CC(=O)NC5=C(C=C(C=C5)Cl)Cl)C6=CC=CC=C6",{"v":4.823908741,"d":"4.82"}]
[229,"2-[4-[[2-(3-Chlorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(4-methoxyphenyl)acetamide",134134001,"COC1=CC=C(C=C1)NC(=O)CN2C=C(N=N2)CN3C(=C(N=C3C4=CC(=CC=C4)Cl)C5=CC=CC=C5)C6=CC=CC=C6",{"v":4.823908741,"d":"4.82"}]
[230,"N-(2,4-Dimethylphenyl)-2-[4-[[2-(3-fluorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]acetamide",134134009,"CC1=CC(=C(C=C1)NC(=O)CN2C=C(N=N2)CN3C(=C(N=C3C4=CC(=CC=C4)F)C5=CC=CC=C5)C6=CC=CC=C6)C",{"v":4.823908741,"d":"4.82"}]
[231,"Methyl 4-[1-[[1-[2-(4-ethoxyanilino)-2-oxoethyl]triazol-4-yl]methyl]-4,5-diphenylimidazol-2-yl]benzoate",134134112,"CCOC1=CC=C(C=C1)NC(=O)CN2C=C(N=N2)CN3C(=C(N=C3C4=CC=C(C=C4)C(=O)OC)C5=CC=CC=C5)C6=CC=CC=C6",{"v":4.823908741,"d":"4.82"}]
[232,"2-[4-[[2-(3-Chlorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(4-ethoxyphenyl)acetamide",134134969,"CCOC1=CC=C(C=C1)NC(=O)CN2C=C(N=N2)CN3C(=C(N=C3C4=CC(=CC=C4)Cl)C5=CC=CC=C5)C6=CC=CC=C6",{"v":4.823908741,"d":"4.82"}]
[233,"2-[4-[[2-(3-Bromophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2-ethoxyphenyl)acetamide",134137273,"CCOC1=CC=CC=C1NC(=O)CN2C=C(N=N2)CN3C(=C(N=C3C4=CC(=CC=C4)Br)C5=CC=CC=C5)C6=CC=CC=C6",{"v":4.823908741,"d":"4.82"}]
[234,"2-[4-[(4,5-Diphenyl-2-thiophen-2-ylimidazol-1-yl)methyl]triazol-1-yl]-N-(4-methoxyphenyl)acetamide",134139205,"COC1=CC=C(C=C1)NC(=O)CN2C=C(N=N2)CN3C(=C(N=C3C4=CC=CS4)C5=CC=CC=C5)C6=CC=CC=C6",{"v":4.823908741,"d":"4.82"}]
[235,"N-(2-Ethoxyphenyl)-2-[4-[[2-(2-fluorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]acetamide",134140317,"CCOC1=CC=CC=C1NC(=O)CN2C=C(N=N2)CN3C(=C(N=C3C4=CC=CC=C4F)C5=CC=CC=C5)C6=CC=CC=C6",{"v":4.823908741,"d":"4.82"}]
[236,"2-[4-[[2-(4-Bromophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(4-fluorophenyl)acetamide",134140665,"C1=CC=C(C=C1)C2=C(N(C(=N2)C3=CC=C(C=C3)Br)CC4=CN(N=N4)CC(=O)NC5=CC=C(C=C5)F)C6=CC=CC=C6",{"v":4.823908741,"d":"4.82"}]
[237,"2-[4-[[2-(3-Fluorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide",134148325,"CC1=CC=CC=C1NC(=O)CN2C=C(N=N2)CN3C(=C(N=C3C4=CC(=CC=C4)F)C5=CC=CC=C5)C6=CC=CC=C6",{"v":4.823908741,"d":"4.82"}]
[238,"2-[4-[[2-(4-Bromophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide",134149940,"CC1=CC=CC=C1NC(=O)CN2C=C(N=N2)CN3C(=C(N=C3C4=CC=C(C=C4)Br)C5=CC=CC=C5)C6=CC=CC=C6",{"v":4.823908741,"d":"4.82"}]
[239,"N-(2,4-Dichlorophenyl)-2-[4-[[2-(3,4-dimethoxyphenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]acetamide",134151767,"COC1=C(C=C(C=C1)C2=NC(=C(N2CC3=CN(N=N3)CC(=O)NC4=C(C=C(C=C4)Cl)Cl)C5=CC=CC=C5)C6=CC=CC=C6)OC",{"v":4.823908741,"d":"4.82"}]
[240,"2-[4-[[2-(3-Chlorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide",134156711,"CC1=CC(=C(C=C1)NC(=O)CN2C=C(N=N2)CN3C(=C(N=C3C4=CC(=CC=C4)Cl)C5=CC=CC=C5)C6=CC=CC=C6)C",{"v":4.823908741,"d":"4.82"}]
[241,"Methyl 4-[1-[[1-[2-(2,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]methyl]-4,5-diphenylimidazol-2-yl]benzoate",134157314,"COC(=O)C1=CC=C(C=C1)C2=NC(=C(N2CC3=CN(N=N3)CC(=O)NC4=C(C=CC(=C4)Cl)Cl)C5=CC=CC=C5)C6=CC=CC=C6",{"v":4.823908741,"d":"4.82"}]
[242,"Chembl4476389",135391860,"C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CSC(=N3)N/N=C/C4=CC=CC5=CC=CC=C54",{"v":5.207608311,"d":"5.21"}]
[243,"N'-[(E)-(4-Hydroxy-3-methoxyphenyl)methylidene]-1H-indole-2-carbohydrazide",135580822,"COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC3=CC=CC=C3N2)O",{"v":5.638272164,"d":"5.64"}]
[244,"Chembl4558252",135580865,"C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)N/N=C/C3=CC=CC=C3O",{"v":5.958607315,"d":"5.96"}]
[245,"Chembl4217244",135603218,"C1=CC=C2C(=C1)C=C(N2)C(=O)N/N=C/C3=CC=C(C=C3)O",{"v":5.638272164,"d":"5.64"}]
[246,"4-(4-Methyl-1H-benzoimidazole-2-yl)phenol",135974165,"CC1=C2C(=CC=C1)NC(=N2)C3=CC=C(C=C3)O",{"v":5.27572413,"d":"5.28"}]
[247,"Chembl4529445",136163007,"CC1=C2C(=CC=C1)NC(=N2)C3=CC=CC=C3O",{"v":5.27572413,"d":"5.28"}]
[248,"Chembl4475487",136168639,"CC1=C2C(=CC=C1)NC(=N2)C3=C(C=C(C=C3)OC)O",{"v":5.27572413,"d":"5.28"}]
[249,"Chembl4482888",136168640,"CC1=C2C(=CC=C1)NC(=N2)C3=C(C=CC(=C3)OC)O",{"v":5.27572413,"d":"5.28"}]
[250,"4-(1,3-Benzothiazol-2-yl)-N-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]benzamide",136180344,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C(=O)N/N=C/C4=C(C=C(C=C4O)O)O",{"v":5.077274542,"d":"5.08"}]
[251,"Chembl4528769",136198571,"C1=CC2=C(C=C1Cl)N=C(S2)C3=C(C=CC(=C3)Br)O",{"v":4.657577319,"d":"4.66"}]
[252,"Chembl4445451",136661648,"CCCN1C2=CC=CC=C2C(=C1O)N=NC(=O)CC3=C(C=C(C=C3)Cl)Cl",{"v":5.657577319,"d":"5.66"}]
[253,"Chembl4540336",136661649,"C1=CC(=C(C=C1CC(=O)N=NC2=C(NC3=C2C=CC(=C3)Br)O)Cl)Cl",{"v":5.657577319,"d":"5.66"}]
[254,"Chembl4458470",136661650,"C1=CC(=C(C=C1Cl)Cl)CC(=O)N=NC2=C(NC3=C2C=CC(=C3)Br)O",{"v":5.657577319,"d":"5.66"}]
[255,"Chembl4455386",136661651,"C1=CC=C(C(=C1)C(=O)N=NC2=C(NC3=C2C=CC(=C3)Br)O)O",{"v":5.657577319,"d":"5.66"}]
[256,"Chembl4556298",136706650,"CC1=C2C(=CC=C1)NC(=N2)C3=CC(=C(C=C3)O)O",{"v":5.27572413,"d":"5.28"}]
[257,"Chembl4447344",136903786,"CC1=C2C(=CC=C1)NC(=N2)C3=C(C=C(C=C3)O)O",{"v":5.27572413,"d":"5.28"}]
[258,"Chembl4474005",136927555,"CC1=C2C(=CC=C1)NC(=N2)C3=C(C=CC(=C3)O)O",{"v":5.27572413,"d":"5.28"}]
[259,"4-(1,3-Benzothiazol-2-yl)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide",136961465,"COC1=CC(=C(C=C1)O)/C=N/NC(=O)C2=CC=C(C=C2)C3=NC4=CC=CC=C4S3",{"v":5.187086643,"d":"5.19"}]
[260,"4-(1,3-Benzothiazol-2-yl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide",136961466,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C(=O)N/N=C/C4=CC=C(C=C4)O",{"v":4.947306058,"d":"4.95"}]
[261,"4-(1,3-Benzothiazol-2-yl)-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]benzamide",136961467,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C(=O)N/N=C/C4=C(C(=CC=C4)O)O",{"v":4.950007143,"d":"4.95"}]
[262,"4-(1,3-Benzothiazol-2-yl)-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]benzamide",136961468,"COC1=CC(=C(C=C1)/C=N/NC(=O)C2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)O",{"v":5.156767222,"d":"5.16"}]
[263,"4-(1,3-Benzothiazol-2-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide",136961469,"C1=CC=C(C(=C1)/C=N/NC(=O)C2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)O",{"v":5.255707017,"d":"5.26"}]
[264,"4-(1,3-Benzothiazol-2-yl)-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]benzamide",136961470,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C(=O)N/N=C/C4=CC(=C(C=C4)O)O",{"v":4.82131076,"d":"4.82"}]
[265,"4-(1,3-Benzothiazol-2-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]benzamide",136961471,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C(=O)N/N=C/C4=C(C=C(C=C4)O)O",{"v":5.253365801,"d":"5.25"}]
[266,"4-(1,3-Benzothiazol-2-yl)-N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide",136961472,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C(=O)N/N=C/C4=CC(=C(C=C4)O)Br",{"v":5.093126465,"d":"5.09"}]
[267,"4-(1,3-Benzothiazol-2-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide",136961473,"COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)O",{"v":4.272946989,"d":"4.27"}]
[268,"4-(1,3-Benzothiazol-2-yl)-N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]benzamide",136961474,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C(=O)N/N=C/C4=C(C=CC(=C4)O)O",{"v":4.92628165,"d":"4.93"}]
[269,"(3Z)-3-[[4-(4-Fluorophenyl)thiazol-2-yl]hydrazono]indolin-2-one",136961580,"C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=NC(=CS3)C4=CC=C(C=C4)F",{"v":5.27572413,"d":"5.28"}]
[270,"Chembl4469378",136965669,"CC1=C2C(=CC=C1)NC(=N2)C3=C(C(=CC=C3)O)O",{"v":5.27572413,"d":"5.28"}]
[271,"Chembl4576919",137001841,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C(=O)N/N=C/C4=CC=CC=C4O",{"v":5.207608311,"d":"5.21"}]
[272,"Chembl4573047",137001842,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C(=O)N/N=C/C4=CC=C(C=C4)O",{"v":5.207608311,"d":"5.21"}]
[273,"Chembl4574133",137001843,"CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)/C=N/NC(=O)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O",{"v":5.207608311,"d":"5.21"}]
[274,"Chembl4129528",137001844,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C(=O)N/N=C/C4=C(C(=CC(=C4)Cl)Cl)O",{"v":5.207608311,"d":"5.21"}]
[275,"Chembl4553128",137001845,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C(=O)N/N=C/C4=CC(=C(C=C4)O)F",{"v":5.207608311,"d":"5.21"}]
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