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{"sheet":"Jinwei Decoction_ingredients","index":0,"n_rows":293,"n_cols":14,"rows_kept":293,"flags":["formulas_cached_only"]}
["drug","Mol ID","Molecule Name","MW","AlogP","Hdon","Hacc","OB (%)","Caco-2","BBB","DL","FASA-","HL","Save"]
["Ginkgo","MOL011042","18alpha-Hydroglycyrrhetic acid",488.73,3.13,4,6,38.93,-0.43,-0.91,0.71,0.27,1.97]
["Ginkgo","MOL011059","Ginkgolid B",424.44,-0.75,3,10,42.84,-1.26,-1.93,0.73,0.37,3.85]
["Ginkgo","MOL011061","Ginkgolide B",424.44,-0.75,3,10,46.14,-0.65,-0.73,0.73,0.4,6.69]
["Ginkgo","MOL011063","heneicosadienoic acid",322.59,8.18,1,2,35.61,1.22,0.98,0.23,0.22,5.42]
["Ginkgo","MOL011072","Quinicine",324.46,2.92,1,4,75.44,0.75,0,0.33,0.23,16.47]
["Ginkgo","MOL011073","Scillaren A",692.88,0.59,7,13,56.12,-1.77,-2.6,0.21,0.26,14.59]
["Ginkgo","MOL011074","Scillaren A_qt",384.56,3.2,2,4,57.67,0.01,-0.92,0.78,0.28,5.62]
["Ginkgo","MOL011075","Shikodonin",362.46,0.8,2,6,78.16,-0.31,-0.34,0.56,0.32,9.28]
["Ginkgo","MOL001771","poriferast-5-en-3beta-ol",414.79,8.08,1,1,36.91,1.45,1.14,0.75,0,5.07]
["Ginkgo","MOL002773","beta-carotene",536.96,12,0,0,37.18,2.25,1.52,0.58,0.33,4.36]
["Ginkgo","MOL000449","Stigmasterol",412.77,7.64,1,1,43.83,1.44,1,0.76,0.22,5.57]
["Ginkgo","MOL000354","isorhamnetin",316.28,1.76,4,7,49.6,0.31,-0.54,0.31,0.32,14.34]
["Ginkgo","MOL000358","beta-sitosterol",414.79,8.08,1,1,36.91,1.32,0.99,0.75,0.23,5.36]
["Ginkgo","MOL000392","formononetin",268.28,2.58,1,4,69.67,0.78,0.02,0.21,0,17.04]
["Ginkgo","MOL000422","kaempferol",286.25,1.77,4,6,41.88,0.26,-0.55,0.24,0,14.74]
["Ginkgo","MOL004350","Ruvoside_qt",390.57,2.29,3,5,36.12,-0.31,-1.13,0.76,0.24,7.21]
["Ginkgo","MOL000492","(+)-catechin",290.29,1.92,5,6,54.83,-0.03,-0.73,0.24,0,0.61]
["Ginkgo","MOL005236","gibberellin",346.41,0.42,3,6,81.59,-0.8,-1.23,0.53,0.38,9.46]
["Ginkgo","MOL006821","(-)-epigallocatechin-3-gallate",458.4,2.89,8,11,55.09,-0.57,-1.7,0.77,0.37,1.7]
["Ginkgo","MOL008691","alpha-Carotene/ beta,epsilon-Carotene",536.96,11.8,0,0,34.51,2.24,1.02,0.58,0.33,4.33]
["Ginkgo","MOL000098","quercetin",302.25,1.5,5,7,46.43,0.05,-0.77,0.28,0.38,14.4]
["Semen Brassicae","MOL010690","Uniflex BYO",338.64,8.41,0,2,30.13,1.44,1.03,0.25,0.19,4.51]
["Semen Brassicae","MOL013037","2-(2-phenylethyl)-6-[[(5S,6R,7R,8S)-5,6,7-trihydroxy-4-keto-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-8-yl]oxy]chromone",566.64,4.09,3,8,31.31,-0.32,-1.29,0.61,0.36,16.55]
["Semen Brassicae","MOL001697","Sinoacutine",325.39,1,1,5,63.39,0.72,0.36,0.53,0.25,4.9]
["Rhizoma Atractylodis Macrocephalae","MOL000020","12-senecioyl-2E,8E,10E-atractylentriol",312.39,2.5,0,4,62.4,0.01,-1.37,0.22,0.12,6.07]
["Rhizoma Atractylodis Macrocephalae","MOL000021","14-acetyl-12-senecioyl-2E,8E,10E-atractylentriol",355.44,3.21,0,5,60.31,0.33,-1.09,0.31,0.05,5.32]
["Rhizoma Atractylodis Macrocephalae","MOL000022","14-acetyl-12-senecioyl-2E,8Z,10E-atractylentriol",356.45,3.54,1,5,63.37,0.42,-1.14,0.3,0,6.43]
["Rhizoma Atractylodis Macrocephalae","MOL000028","α-Amyrin",426.8,7.35,1,1,39.51,1.42,1.28,0.76,0,3.83]
["Rhizoma Atractylodis Macrocephalae","MOL000033","(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R,5S)-5-propan-2-yloctan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol",428.82,8.54,1,1,36.23,1.45,1.09,0.78,0,5.22]
["Rhizoma Atractylodis Macrocephalae","MOL000049","3β-acetoxyatractylone",274.39,3.39,0,3,54.07,1.13,1.08,0.22,0,-1.31]
["Rhizoma Atractylodis Macrocephalae","MOL000072","8β-ethoxy atractylenolide Ⅲ",276.41,3.68,0,3,35.95,1.08,1.12,0.21,0,8.34]
["Pinellia Ternata","MOL001755","24-Ethylcholest-4-en-3-one",412.77,8.18,0,1,36.08,1.46,1.22,0.76,0.25,5.49]
["Pinellia Ternata","MOL002670","Cavidine",353.45,3.72,0,5,35.64,1.08,0.63,0.81,0,5.78]
["Pinellia Ternata","MOL002714","baicalein",270.25,2.33,3,5,33.52,0.63,-0.05,0.21,0.36,16.25]
["Pinellia Ternata","MOL002776","Baicalin",446.39,0.64,6,11,40.12,-0.85,-1.74,0.75,0.36,17.36]
["Pinellia Ternata","MOL000358","beta-sitosterol",414.79,8.08,1,1,36.91,1.32,0.99,0.75,0.23,5.36]
["Pinellia Ternata","MOL000449","Stigmasterol",412.77,7.64,1,1,43.83,1.44,1,0.76,0.22,5.57]
["Pinellia Ternata","MOL005030","gondoic acid",310.58,7.75,1,2,30.7,1.2,0.8,0.2,0.21,4.79]
["Pinellia Ternata","MOL000519","coniferin",314.41,3.16,2,4,31.11,0.42,-0.18,0.32,0.27,28.1]
["Pinellia Ternata","MOL006936","10,13-eicosadienoic",308.56,7.3,1,2,39.99,1.22,0.82,0.2,0.22,5.59]
["Pinellia Ternata","MOL006937","12,13-epoxy-9-hydroxynonadeca-7,10-dienoic acid",324.51,4.58,2,4,42.15,0.18,-0.68,0.24,0.25,2.72]
["Pinellia Ternata","MOL006957","(3S,6S)-3-(benzyl)-6-(4-hydroxybenzyl)piperazine-2,5-quinone",310.38,2.15,3,5,46.89,0.41,-0.33,0.27,0.43,3.81]
["Pinellia Ternata","MOL003578","Cycloartenol",426.8,7.55,1,1,38.69,1.53,1.33,0.78,0,5]
["Pinellia Ternata","MOL006967","beta-D-Ribofuranoside, xanthine-9",284.26,-1.29,5,9,44.72,-1.21,-1.84,0.21,0.3,7.91]
["Pericarpium Citri Reticulatae,","MOL000359","sitosterol",414.79,8.08,1,1,36.91,1.32,0.87,0.75,0.22,5.37]
["Pericarpium Citri Reticulatae,","MOL004328","naringenin",272.27,2.3,3,5,59.29,0.28,-0.37,0.21,0.4,16.98]
["Pericarpium Citri Reticulatae,","MOL005100","5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one",302.3,2.28,3,6,47.74,0.28,-0.3,0.27,0.31,16.51]
["Pericarpium Citri Reticulatae,","MOL005815","Citromitin",404.45,3,0,8,86.9,0.88,0.16,0.51,0.14,15.62]
["Pericarpium Citri Reticulatae,","MOL005828","nobiletin",402.43,3.04,0,8,61.67,1.05,-0.08,0.52,0.13,16.2]
["Radix Paeoniae Rubra","MOL001002","ellagic acid",302.2,1.48,4,8,43.06,-0.44,-1.41,0.43,0.43,-1.04]
["Radix Paeoniae Rubra","MOL001918","paeoniflorgenone",318.35,0.79,1,6,87.59,-0.09,-0.56,0.37,0.37,7.45]
["Radix Paeoniae Rubra","MOL001921","Lactiflorin",462.49,-0.57,3,10,49.12,-1.13,-1.76,0.8,0.34,7.26]
["Radix Paeoniae Rubra","MOL001924","paeoniflorin",480.51,-1.28,5,11,53.87,-1.47,-1.86,0.79,0.34,13.88]
["Radix Paeoniae Rubra","MOL001925","paeoniflorin_qt",318.35,0.46,2,6,68.18,-0.34,-0.73,0.4,0.39,8.81]
["Radix Paeoniae Rubra","MOL002714","baicalein",270.25,2.33,3,5,33.52,0.63,-0.05,0.21,0.36,16.25]
["Radix Paeoniae Rubra","MOL002776","Baicalin",446.39,0.64,6,11,40.12,-0.85,-1.74,0.75,0.36,17.36]
["Radix Paeoniae Rubra","MOL000358","beta-sitosterol",414.79,8.08,1,1,36.91,1.32,0.99,0.75,0.23,5.36]
["Radix Paeoniae Rubra","MOL000359","sitosterol",414.79,8.08,1,1,36.91,1.32,0.87,0.75,0.22,5.37]
["Radix Paeoniae Rubra","MOL004355","Spinasterol",412.77,7.64,1,1,42.98,1.44,1.04,0.76,0.21,5.32]
["Radix Paeoniae Rubra","MOL000449","Stigmasterol",412.77,7.64,1,1,43.83,1.44,1,0.76,0.22,5.57]
["Radix Paeoniae Rubra","MOL000492","(+)-catechin",290.29,1.92,5,6,54.83,-0.03,-0.73,0.24,0,0.61]
["Radix Paeoniae Rubra","MOL006990","(1S,2S,4R)-trans-2-hydroxy-1,8-cineole-B-D-glucopyranoside",332.44,-0.57,4,7,30.25,-0.77,-1.14,0.27,0.25,0.98]
["Radix Paeoniae Rubra","MOL006992","(2R,3R)-4-methoxyl-distylin",318.3,1.89,4,7,59.98,0.17,-0.61,0.3,0.33,15.08]
["Radix Paeoniae Rubra","MOL006994","1-o-beta-d-glucopyranosyl-8-o-benzoylpaeonisuffrone_qt",302.35,0.44,1,5,36.01,-0.03,-0.47,0.3,0.41,5.98]
["Angelica Sinensis","MOL000358","beta-sitosterol",414.79,8.08,1,1,36.91,1.32,0.99,0.75,0.23,5.36]
["Angelica Sinensis","MOL000449","Stigmasterol",412.77,7.64,1,1,43.83,1.44,1,0.76,0.22,5.57]
["Salvia Miltiorrhiza","MOL001601","1,2,5,6-tetrahydrotanshinone",280.34,2.98,0,3,38.75,0.96,0.39,0.36,0.33,18.05]
["Salvia Miltiorrhiza","MOL001659","Poriferasterol",412.77,7.64,1,1,43.83,1.44,1.03,0.76,0.22,5.34]
["Salvia Miltiorrhiza","MOL001771","poriferast-5-en-3beta-ol",414.79,8.08,1,1,36.91,1.45,1.14,0.75,0,5.07]
["Salvia Miltiorrhiza","MOL001942","isoimperatorin",270.3,3.65,0,4,45.46,0.97,0.66,0.23,0.27,-1.44]
["Salvia Miltiorrhiza","MOL002222","sugiol",300.48,4.99,1,2,36.11,1.14,0.7,0.28,0.27,14.62]
["Salvia Miltiorrhiza","MOL002651","Dehydrotanshinone II A",292.35,4.22,0,3,43.76,1.02,0.52,0.4,0.33,23.71]
["Salvia Miltiorrhiza","MOL002776","Baicalin",446.39,0.64,6,11,40.12,-0.85,-1.74,0.75,0.36,17.36]
["Salvia Miltiorrhiza","MOL000569","digallate",322.24,1.53,6,9,61.85,-0.76,-1.52,0.26,0.43,5.29]
["Salvia Miltiorrhiza","MOL000006","luteolin",286.25,2.07,4,6,36.16,0.19,-0.84,0.25,0.39,15.94]
["Salvia Miltiorrhiza","MOL006824","α-amyrin",426.8,7.35,1,1,39.51,1.37,1.2,0.76,0.23,3.06]
["Salvia Miltiorrhiza","MOL007036","5,6-dihydroxy-7-isopropyl-1,1-dimethyl-2,3-dihydrophenanthren-4-one",298.41,4.38,2,3,33.77,1.19,0.8,0.29,0.29,14.91]
["Salvia Miltiorrhiza","MOL007041","2-isopropyl-8-methylphenanthrene-3,4-dione",264.34,4.16,0,2,40.86,1.23,0.81,0.23,0.43,14.89]
["Salvia Miltiorrhiza","MOL007045","3α-hydroxytanshinoneⅡa",310.37,3.56,1,4,44.93,0.53,0.22,0.44,0.3,23.78]
["Salvia Miltiorrhiza","MOL007048","(E)-3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-benzofuran-4-yl]acrylic acid",312.29,3.21,4,6,48.24,0.18,-0.89,0.31,0.4,8.87]
["Salvia Miltiorrhiza","MOL007049","4-methylenemiltirone",266.36,4.33,0,2,34.35,1.25,0.87,0.23,0.38,14.6]
["Salvia Miltiorrhiza","MOL007050","2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-3-benzofurancarboxaldehyde",356.4,3.58,2,6,62.78,0.35,-0.73,0.4,0.24,7.89]
["Salvia Miltiorrhiza","MOL007051","6-o-syringyl-8-o-acetyl shanzhiside methyl ester",628.64,-1.13,5,16,46.69,-1.73,-2.08,0.71,0.22,9.94]
["Salvia Miltiorrhiza","MOL007058","formyltanshinone",290.28,3.36,0,4,73.44,0.54,-0.28,0.42,0.41,24.12]
["Salvia Miltiorrhiza","MOL007059","3-beta-Hydroxymethyllenetanshiquinone",294.32,3.16,1,4,32.16,0.38,-0.48,0.41,0.36,22.51]
["Salvia Miltiorrhiza","MOL007061","Methylenetanshinquinone",278.32,4.26,0,3,37.07,1.03,0.46,0.36,0.36,24.33]
["Salvia Miltiorrhiza","MOL007063","przewalskin a",398.49,2.25,1,6,37.11,-0.26,-0.69,0.65,0.38,1.63]
["Salvia Miltiorrhiza","MOL007064","przewalskin b",330.46,3.18,1,4,110.32,0.34,0.22,0.44,0.32,2.17]
["Salvia Miltiorrhiza","MOL007068","Przewaquinone B",292.3,2.99,1,4,62.24,0.39,-0.45,0.41,0.38,24.94]
["Salvia Miltiorrhiza","MOL007069","przewaquinone c",296.34,3.31,1,4,55.74,0.42,-0.3,0.4,0.32,23.7]
["Salvia Miltiorrhiza","MOL007070","(6S,7R)-6,7-dihydroxy-1,6-dimethyl-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-dione",312.34,2.34,2,5,41.31,-0.06,-0.68,0.45,0.32,22.54]
["Salvia Miltiorrhiza","MOL007071","przewaquinone f",312.34,2.07,2,5,40.31,-0.09,-0.9,0.46,0.29,22.45]
["Salvia Miltiorrhiza","MOL007077","sclareol",308.56,4.27,2,2,43.67,0.84,0.51,0.21,0.27,4.71]
["Salvia Miltiorrhiza","MOL007079","tanshinaldehyde",308.35,3.83,0,4,52.47,0.57,-0.07,0.45,0.32,23.49]
["Salvia Miltiorrhiza","MOL007081","Danshenol B",354.48,2.59,1,4,57.95,0.53,0.11,0.56,0.3,4.28]
["Salvia Miltiorrhiza","MOL007082","Danshenol A",336.41,2.01,1,4,56.97,0.33,-0.01,0.52,0.34,5.15]
["Salvia Miltiorrhiza","MOL007085","Salvilenone",292.4,4.26,0,2,30.38,1.46,1.07,0.38,0.35,20.81]
["Salvia Miltiorrhiza","MOL007088","cryptotanshinone",296.39,3.44,0,3,52.34,0.95,0.51,0.4,0.29,17.3]
["Salvia Miltiorrhiza","MOL007093","dan-shexinkum d",336.41,2.83,1,4,38.88,0.67,-0.15,0.55,0.35,30]
["Salvia Miltiorrhiza","MOL007094","danshenspiroketallactone",282.36,3.24,0,3,50.43,0.88,0.51,0.31,0.34,15.19]
["Salvia Miltiorrhiza","MOL007098","deoxyneocryptotanshinone",298.41,4.32,1,3,49.4,0.85,0.24,0.29,0.3,27.17]
["Salvia Miltiorrhiza","MOL007100","dihydrotanshinlactone",266.31,2.77,0,3,38.68,1.26,0.81,0.32,0.38,5.42]
["Salvia Miltiorrhiza","MOL007101","dihydrotanshinoneⅠ",278.32,2.86,0,3,45.04,0.95,0.43,0.36,0.4,18.32]
["Salvia Miltiorrhiza","MOL007105","epidanshenspiroketallactone",284.38,2.37,0,3,68.27,0.9,0.61,0.31,0.33,1.77]
["Salvia Miltiorrhiza","MOL007107","C09092",286.5,5.98,1,1,36.07,1.63,1.54,0.25,0.25,-0.16]
["Salvia Miltiorrhiza","MOL007108","isocryptotanshi-none",296.39,3.59,0,3,54.98,0.93,0.34,0.39,0.3,31.92]
["Salvia Miltiorrhiza","MOL007111","Isotanshinone II",294.37,4.66,0,3,49.92,1.03,0.45,0.4,0.3,24.73]
["Salvia Miltiorrhiza","MOL007115","manool",304.57,5.5,1,1,45.04,1.28,1.16,0.2,0.28,5.81]
["Salvia Miltiorrhiza","MOL007118","microstegiol",298.46,4.75,1,2,39.61,1.05,0.99,0.28,0.33,4.52]
["Salvia Miltiorrhiza","MOL007119","miltionone Ⅰ",312.39,3.33,1,4,49.68,0.35,-0.11,0.32,0.35,41.49]
["Salvia Miltiorrhiza","MOL007120","miltionone Ⅱ",312.39,2.14,1,4,71.03,0.62,0.03,0.44,0.28,2.91]
["Salvia Miltiorrhiza","MOL007121","miltipolone",300.43,2.74,1,3,36.56,0.5,0.17,0.37,0.3,1.7]
["Salvia Miltiorrhiza","MOL007122","Miltirone",282.41,4.73,0,2,38.76,1.23,0.87,0.25,0.32,14.82]
["Salvia Miltiorrhiza","MOL007123","miltirone Ⅱ",272.32,0.77,1,4,44.95,0.04,-0.25,0.24,0.35,2.24]
["Salvia Miltiorrhiza","MOL007124","neocryptotanshinone ii",270.35,3.61,1,3,39.46,0.76,0.16,0.23,0.32,26.98]
["Salvia Miltiorrhiza","MOL007125","neocryptotanshinone",314.41,3.01,2,4,52.49,0.35,-0.13,0.32,0.28,14.46]
["Salvia Miltiorrhiza","MOL007127","1-methyl-8,9-dihydro-7H-naphtho[5,6-g]benzofuran-6,10,11-trione",280.29,3.21,0,4,34.72,0.5,-0.27,0.37,0.33,37.89]
["Salvia Miltiorrhiza","MOL007130","prolithospermic acid",314.31,2.77,4,6,64.37,0.1,-0.75,0.31,0.42,8.82]
["Salvia Miltiorrhiza","MOL007132","(2R)-3-(3,4-dihydroxyphenyl)-2-[(Z)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-propionic acid",360.34,2.69,5,8,109.38,-0.33,-1.02,0.35,0.41,2.01]
["Salvia Miltiorrhiza","MOL007140","(Z)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-3,4-dihydroxy-phenyl]acrylic acid",314.31,2.82,5,6,88.54,-0.09,-0.77,0.26,0.43,4.31]
["Salvia Miltiorrhiza","MOL007141","salvianolic acid g",340.3,2.2,4,7,45.56,-0.14,-0.97,0.61,0.45,2.4]
["Salvia Miltiorrhiza","MOL007142","salvianolic acid j",538.49,3.78,6,12,43.38,-0.82,-2.14,0.72,0.44,5.77]
["Salvia Miltiorrhiza","MOL007143","salvilenone Ⅰ",270.4,2.88,1,2,32.43,1.13,0.77,0.23,0.3,1]
["Salvia Miltiorrhiza","MOL007145","salviolone",268.38,4.05,1,2,31.72,1.04,0.72,0.24,0.36,0.33]
["Salvia Miltiorrhiza","MOL007149","NSC 122421",300.48,4.99,1,2,34.49,1.08,0.63,0.28,0.29,14.56]
["Salvia Miltiorrhiza","MOL007150","(6S)-6-hydroxy-1-methyl-6-methylol-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-quinone",312.34,2.42,2,5,75.39,0.03,-0.74,0.46,0.29,23.45]
["Salvia Miltiorrhiza","MOL007151","Tanshindiol B",312.34,2.34,2,5,42.67,0.05,-0.63,0.45,0.33,22.25]
["Salvia Miltiorrhiza","MOL007152","Przewaquinone E",312.34,2.34,2,5,42.85,-0.04,-0.65,0.45,0.32,22.44]
["Salvia Miltiorrhiza","MOL007154","tanshinone iia",294.37,4.66,0,3,49.89,1.05,0.7,0.4,0.31,23.56]
["Salvia Miltiorrhiza","MOL007155","(6S)-6-(hydroxymethyl)-1,6-dimethyl-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-dione",310.37,3.57,1,4,65.26,0.44,-0.31,0.45,0.29,23.48]
["Salvia Miltiorrhiza","MOL007156","tanshinone Ⅵ",296.34,2.44,2,4,45.64,0.48,-0.28,0.3,0.38,15.21]
["Rhizoma Polygonati","MOL001792","DFV",256.27,2.57,2,4,32.76,0.51,-0.29,0.18,0.42,17.89]
["Rhizoma Polygonati","MOL002714","baicalein",270.25,2.33,3,5,33.52,0.63,-0.05,0.21,0.36,16.25]
["Rhizoma Polygonati","MOL002959","3'-Methoxydaidzein",284.28,2.32,2,5,48.57,0.56,-0.32,0.24,0.34,17.04]
["Rhizoma Polygonati","MOL000358","beta-sitosterol",414.79,8.08,1,1,36.91,1.32,0.99,0.75,0.23,5.36]
["Rhizoma Polygonati","MOL000359","sitosterol",414.79,8.08,1,1,36.91,1.32,0.87,0.75,0.22,5.37]
["Rhizoma Polygonati","MOL003889","methylprotodioscin_qt",446.74,4.28,2,4,35.12,0.2,-0.45,0.86,0.19,5.48]
["Rhizoma Polygonati","MOL004941","(2R)-7-hydroxy-2-(4-hydroxyphenyl)chroman-4-one",256.27,2.57,2,4,71.12,0.41,-0.25,0.18,0,18.09]
["Rhizoma Polygonati","MOL000546","diosgenin",414.69,4.63,1,3,80.88,0.82,0.27,0.81,0.19,4.14]
["Rhizoma Polygonati","MOL006331","4',5-Dihydroxyflavone",254.25,2.6,2,4,48.55,0.76,-0.03,0.19,0,18.01]
["Rhizoma Polygonati","MOL009760","sibiricoside A_qt",432.71,3.88,2,4,35.26,0.16,-0.75,0.86,0.22,5.44]
["Rhizoma Polygonati","MOL009763","(+)-Syringaresinol-O-beta-D-glucoside",580.64,0.2,5,13,43.35,-0.97,-1.83,0.77,0.19,3.2]
["Rhizoma Polygonati","MOL009766","zhonghualiaoine 1",458.75,3.57,2,4,34.72,0.31,-0.38,0.78,0.21,5.25]
["Radix Astragali","MOL000211","Mairin",456.78,6.52,2,3,55.38,0.73,0.22,0.78,0.26,8.87]
["Radix Astragali","MOL000239","Jaranol",314.31,2.09,2,6,50.83,0.61,-0.22,0.29,0.29,15.5]
["Radix Astragali","MOL000296","hederagenin",414.79,8.08,1,1,36.91,1.32,0.96,0.75,0,5.35]
["Radix Astragali","MOL000033","(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R,5S)-5-propan-2-yloctan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol",428.82,8.54,1,1,36.23,1.45,1.09,0.78,0,5.22]
["Radix Astragali","MOL000354","isorhamnetin",316.28,1.76,4,7,49.6,0.31,-0.54,0.31,0.32,14.34]
["Radix Astragali","MOL000371","3,9-di-O-methylnissolin",314.36,2.89,0,5,53.74,1.18,0.63,0.48,0,9]
["Radix Astragali","MOL000374","5'-hydroxyiso-muronulatol-2',5'-di-O-glucoside",642.67,-0.95,9,16,41.72,-2.47,-3.62,0.69,0,2.52]
["Radix Astragali","MOL000378","7-O-methylisomucronulatol",316.38,3.38,1,5,74.69,1.08,0.84,0.3,0,2.98]
["Radix Astragali","MOL000379","9,10-dimethoxypterocarpan-3-O-β-D-glucoside",462.49,0.74,4,10,36.74,-0.63,-1.5,0.92,0,13.06]
["Radix Astragali","MOL000380","(6aR,11aR)-9,10-dimethoxy-6a,11a-dihydro-6H-benzofurano[3,2-c]chromen-3-ol",300.33,2.64,1,5,64.26,0.93,0.55,0.42,0,8.49]
["Radix Astragali","MOL000387","Bifendate",418.38,2.56,0,10,31.1,0.15,-0.06,0.67,0,17.96]
["Radix Astragali","MOL000392","formononetin",268.28,2.58,1,4,69.67,0.78,0.02,0.21,0,17.04]
["Radix Astragali","MOL000398","isoflavanone",316.33,2.42,2,6,109.99,0.53,0.17,0.3,0,15.51]
["Radix Astragali","MOL000417","Calycosin",284.28,2.32,2,5,47.75,0.52,-0.43,0.24,0,17.1]
["Radix Astragali","MOL000422","kaempferol",286.25,1.77,4,6,41.88,0.26,-0.55,0.24,0,14.74]
["Radix Astragali","MOL000433","FA",441.45,0.01,7,13,68.96,-1.5,-2.59,0.71,0,24.81]
["Radix Astragali","MOL000438","(3R)-3-(2-hydroxy-3,4-dimethoxyphenyl)chroman-7-ol",302.35,3.13,2,5,67.67,0.96,0.34,0.26,0,2.9]
["Radix Astragali","MOL000439","isomucronulatol-7,2'-di-O-glucosiole",626.67,-0.68,8,15,49.28,-2.22,-3.36,0.62,0,0.93]
["Radix Astragali","MOL000442","1,7-Dihydroxy-3,9-dimethoxy pterocarpene",314.31,3.11,2,6,39.05,0.89,-0.04,0.48,0,7.95]
["Radix Astragali","MOL000098","quercetin",302.25,1.5,5,7,46.43,0.05,-0.77,0.28,0.38,14.4]
["Ganodorma Lucidum","MOL011125","(+)-Ganoderic acid Mf",512.8,6.07,2,5,32.62,0.13,-0.8,0.82,0.28,7.01]
["Ganodorma Lucidum","MOL011127","(+)-Methyl ganolucidate A",514.77,3.68,1,6,31.14,-0.19,-0.92,0.82,0.26,11.3]
["Ganodorma Lucidum","MOL011129","methyl (4R)-4-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate",470.66,2.69,0,6,32.67,-0.21,-0.88,0.81,0.32,6.89]
["Ganodorma Lucidum","MOL011135","22,23-dimethylene ganodermic acid S",578.86,6.56,1,6,33.61,0.14,-1.05,0.71,0.33,10.18]
["Ganodorma Lucidum","MOL011136","22β-acetoxy-3α,15α-dihydroxylanosta-7,9(11),24-trien-26-oic acid",528.9,7.14,2,4,37.64,0.64,-0.06,0.8,0.25,7.82]
["Ganodorma Lucidum","MOL011137","campesta-7,22E-dien-3beta-ol",398.74,7.18,1,1,43.51,1.33,0.98,0.72,0.22,4.97]
["Ganodorma Lucidum","MOL011140","5alpha-Lanosta-7,9(11),24-triene-15alpha,26-dihydroxy-3-one",454.76,5.44,2,3,38.54,0.23,-0.91,0.81,0.25,5.87]
["Ganodorma Lucidum","MOL011156","epoxyganoderiol A",472.78,4.79,2,4,33.78,0.15,-0.78,0.83,0.25,6.68]
["Ganodorma Lucidum","MOL011157","epoxyganoderiol B",454.76,5.45,1,3,42.3,0.54,-0.36,0.83,0.25,5.14]
["Ganodorma Lucidum","MOL011158","epoxyganoderiol C",456.78,5.49,2,3,37.7,0.53,-0.35,0.83,0.24,4.89]
["Ganodorma Lucidum","MOL011159","ergosta-4,6,8(14),22-tetraene-3-one",406.71,6.99,0,1,48.32,1.51,1.15,0.75,0.29,5.98]
["Ganodorma Lucidum","MOL011160","ergosta-4,7,22-trien-3,6-dione",408.68,6.31,0,2,47.86,0.96,0.47,0.77,0.29,5.53]
["Ganodorma Lucidum","MOL011162","Ergosta-7,22-dien-3beta-yl palmitate",637.2,14.16,0,2,37.6,1.48,0.75,0.43,0.19,8.08]
["Ganodorma Lucidum","MOL011164","ergosta-7,22-dien-3β,5α,6α-triol",430.74,5.15,3,3,31.43,0.17,-0.43,0.77,0.25,6.19]
["Ganodorma Lucidum","MOL011165","ergosta-7,22-diene-3beta-yl linoleate",661.22,14.18,0,2,45.11,1.58,0.53,0.37,0.21,11.19]
["Ganodorma Lucidum","MOL011166","ergosta-7,22-diene-3beta-yl palmitate",637.2,14.16,0,2,37.6,1.5,0.63,0.43,0.18,8.46]
["Ganodorma Lucidum","MOL011167","ergosta-7,22-diene-3beta-yl pentadecanoate",623.17,13.7,0,2,38.25,1.5,0.72,0.47,0.18,7.82]
["Ganodorma Lucidum","MOL011168","ergosta-7,9(11),22-trien-3β,5α,6α-triol",442.75,5.1,3,3,46.95,0.26,-0.48,0.78,0.23,5.37]
["Ganodorma Lucidum","MOL011169","Peroxyergosterol",428.72,6.73,1,3,44.39,0.86,0.43,0.82,0.24,4.06]
["Ganodorma Lucidum","MOL011171","ganoderal B",440.73,5.73,1,3,42.56,0.43,-0.43,0.81,0.28,6.99]
["Ganodorma Lucidum","MOL011172","ganoderan B",454.76,6.14,1,3,42.19,0.44,-0.4,0.81,0.29,6.69]
["Ganodorma Lucidum","MOL011183","(E,6R)-6-[(3S,5R,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid",500.74,3.85,3,6,30.54,-0.27,-1.1,0.82,0.29,7.39]
["Ganodorma Lucidum","MOL011189","Ganoderic acid DM",468.74,6.06,1,4,38.8,0.36,-0.45,0.83,0.3,6.25]
["Ganodorma Lucidum","MOL011206","(E,6R)-6-[(3R,5R,10S,13R,14R,15S,17R)-3,15-diacetoxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid",554.84,6.45,1,6,31.16,0.15,-0.8,0.76,0.29,7.81]
["Ganodorma Lucidum","MOL011209","ganoderic acid Mi",528.85,6.92,1,5,34.4,0.47,-0.38,0.81,0.26,9.01]
["Ganodorma Lucidum","MOL011214","(E,5S,6S)-5-acetoxy-6-[(3R,5R,10S,13R,14R,17R)-3-acetoxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid",554.84,6.38,1,6,31.46,0.03,-0.82,0.77,0.3,8.29]
["Ganodorma Lucidum","MOL011215","(E,5S,6S)-5-acetoxy-6-[(3R,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid",512.8,6,2,5,34.37,0.01,-0.78,0.83,0.29,7.93]
["Ganodorma Lucidum","MOL011218","ganoderic acid TQ",524.81,6.24,1,5,36.3,0.22,-0.75,0.78,0.29,7.42]
["Ganodorma Lucidum","MOL011219","Ganoderic acid TR",468.74,5.65,2,4,36.23,0.13,-0.78,0.83,0.29,7.64]
["Ganodorma Lucidum","MOL011221","ganoderic acid V",528.8,5.37,2,6,30.19,-0.11,-0.96,0.8,0.31,8.6]
["Ganodorma Lucidum","MOL011222","Ganoderic acid V1",512.75,4.02,2,6,30.18,-0.36,-1.28,0.8,0.33,6.47]
["Ganodorma Lucidum","MOL011224","Ganoderic acid X",512.8,6.07,2,5,33.55,0.17,-0.72,0.81,0.29,7.8]
["Ganodorma Lucidum","MOL011225","Ganoderic acid Y",454.76,6.79,2,3,38.64,0.62,-0.33,0.82,0.28,6.35]
["Ganodorma Lucidum","MOL011226","ganoderic acid Z",456.78,7.24,2,3,37.67,0.56,-0.19,0.82,0.27,8.2]
["Ganodorma Lucidum","MOL011229","Ganoderic aldehyde A",454.76,6.14,1,3,42.26,0.39,-0.58,0.81,0.29,8.1]
["Ganodorma Lucidum","MOL011235","Ganoderiol F",454.76,5.45,2,3,38.12,0.35,-0.59,0.82,0.24,6.13]
["Ganodorma Lucidum","MOL011241","Ganodermanondiol",456.78,5.57,2,3,37.64,0.46,-0.32,0.8,0.27,5.24]
["Ganodorma Lucidum","MOL011243","ganodermatriol",456.78,5.49,3,3,30.46,0.11,-0.97,0.82,0.23,7.06]
["Ganodorma Lucidum","MOL011244","ganodermenonol",438.76,6.55,1,2,44.69,0.81,0.03,0.8,0.26,6.72]
["Ganodorma Lucidum","MOL011245","Ganodermic acid R",554.84,6.45,1,6,31.16,0.12,-1.04,0.76,0.31,9.22]
["Ganodorma Lucidum","MOL011247","ganodermic acid T- Q",512.8,6.07,2,5,33.55,0.22,-0.6,0.81,0.27,7.17]
["Ganodorma Lucidum","MOL011248","ganodermic acid T- O",512.8,6.07,2,5,32.62,0.18,-0.79,0.82,0.27,7.24]
["Ganodorma Lucidum","MOL011250","Ganodermnonol",438.76,6.55,1,2,44.69,0.81,0.01,0.8,0.26,7.03]
["Ganodorma Lucidum","MOL011251","(5R,10S,13R,14R,17R)-17-[(E,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one",438.76,6.55,1,2,44.69,0.8,-0.04,0.8,0.25,6.05]
["Ganodorma Lucidum","MOL011256","ganolucidic acid E",484.74,4.96,2,5,32.85,-0.15,-1.17,0.82,0.3,7.21]
["Ganodorma Lucidum","MOL011258","ganosporelactone B",530.72,1.22,4,8,31.21,-0.88,-1.24,0.33,0.28,7.09]
["Ganodorma Lucidum","MOL011262","lanosta-7,9(11),24-trien-15α-acetoxy-3α-hydroxy-23-oxo-26-oic acid",526.78,4.93,2,6,31.86,-0.22,-1.1,0.8,0.3,7.52]
["Ganodorma Lucidum","MOL011264","lanosta-7,9(11),24-trien-3α-acetoxy-15α-hydroxy-23-oxo-26-oic acid",526.78,4.93,2,6,30.81,-0.23,-1.14,0.81,0.31,6.98]
["Ganodorma Lucidum","MOL011265","lanosta-7,9(11),24-trien-3α-acetoxy-26-oic acid",496.8,7.17,1,4,38.85,0.61,-0.36,0.84,0.29,7.1]
["Ganodorma Lucidum","MOL011266","Lucialdehyde A",438.76,6.84,1,2,44.78,0.94,0.13,0.8,0.27,7.32]
["Ganodorma Lucidum","MOL011267","Lucialdehyde B",452.74,6.11,0,3,43.12,0.53,-0.33,0.81,0.29,6.04]
["Ganodorma Lucidum","MOL011268","Lucialdehyde C",454.76,6.14,1,3,42.26,0.5,-0.37,0.81,0.27,7.46]
["Ganodorma Lucidum","MOL011270","(4R)-4-[(5R,7S,10S,13R,14R,17R)-7-hydroxy-3,11,15-triketo-4,4,10,13,14-pentamethyl-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]valeric acid",458.65,2.48,2,6,30.34,-0.2,-0.71,0.79,0.32,7.42]
["Ganodorma Lucidum","MOL011287","lucidone A",402.58,1.09,2,5,37.22,-0.13,-0.47,0.64,0.32,6.22]
["Ganodorma Lucidum","MOL011290","Lucidumol A",458.8,6.01,2,3,34.75,0.28,-0.47,0.8,0.26,6.82]
["Ganodorma Lucidum","MOL011303","methyl Ganoderic acid DM",482.77,6.31,0,4,39.55,0.49,-0.33,0.83,0.27,5.28]
["Ganodorma Lucidum","MOL011304","methyl Ganoderic acid TR",482.77,5.9,1,4,39.82,0.35,-0.62,0.83,0.26,7.49]
["Ganodorma Lucidum","MOL011309","methyl (4R)-4-[(5R,7S,10S,13R,14R,15S,17R)-7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate",474.7,2.77,2,6,30.19,-0.36,-1.04,0.81,0.26,6.67]
["Ganodorma Lucidum","MOL000279","Cerevisterol",430.74,5.15,3,3,37.96,0.28,-0.39,0.77,0,5.31]
["Ganodorma Lucidum","MOL000282","ergosta-7,22E-dien-3beta-ol",398.74,7.18,1,1,43.51,1.32,0.91,0.72,0,5.11]
["Ganodorma Lucidum","MOL000358","beta-sitosterol",414.79,8.08,1,1,36.91,1.32,0.99,0.75,0.23,5.36]
["Rhizoma Phragmitis","MOL000449","Stigmasterol",412.77,7.64,1,1,43.83,1.44,1,0.76,0.22,5.57]
["Ephedra","MOL001323","Sitosterol alpha1",426.8,8.15,1,1,43.28,1.41,0.97,0.78,0.24,5.64]
["Ephedra","MOL001328","2,3-didehydro GA70",330.41,1.16,2,5,63.29,-0.27,-0.84,0.5,0.36,7.62]
["Ephedra","MOL001329","2,3-didehydro GA77",346.41,0.28,3,6,88.08,-0.67,-1.1,0.53,0.37,7.6]
["Ephedra","MOL001339","GA119",332.43,1.81,2,5,76.36,-0.12,-0.48,0.49,0.32,8.35]
["Ephedra","MOL001340","GA120",314.41,2.47,1,4,84.85,0.38,0.1,0.45,0.35,8.4]
["Ephedra","MOL001342","GA121-isolactone",330.41,1.34,2,5,72.7,-0.26,-0.75,0.54,0.34,7.63]
["Ephedra","MOL001343","GA122",330.41,1.3,2,5,64.79,-0.17,-0.73,0.5,0.34,7.01]
["Ephedra","MOL001344","GA122-isolactone",330.41,1.34,2,5,88.11,-0.18,-0.65,0.54,0.32,7.4]
["Ephedra","MOL001348","gibberellin 17",378.46,1.49,4,7,94.64,-0.87,-1.14,0.49,0.32,11.67]
["Ephedra","MOL001349","4a-formyl-7alpha-hydroxy-1-methyl-8-methylidene-4aalpha,4bbeta-gibbane-1alpha,10beta-dicarboxylic acid",362.46,1.54,3,6,88.6,-0.75,-1.17,0.46,0.34,11.29]
["Ephedra","MOL001350","GA30",346.41,0.33,3,6,61.72,-0.83,-1.3,0.54,0.35,8.74]
["Ephedra","MOL001351","Gibberellin A44",346.46,1.89,2,5,101.61,-0.13,-0.48,0.54,0.32,11.8]
["Ephedra","MOL001352","GA54",348.43,0.58,3,6,64.21,-0.5,-0.64,0.53,0.31,10.19]
["Ephedra","MOL001353","GA60",348.43,0.73,3,6,93.17,-0.79,-1.48,0.53,0.33,7.9]
["Ephedra","MOL001355","GA63",348.43,0.71,3,6,65.54,-0.57,-0.73,0.54,0.33,9.85]
["Ephedra","MOL001358","gibberellin 7",330.41,1.5,2,5,73.8,-0.18,-0.4,0.5,0.35,9.79]
["Ephedra","MOL001360","GA77",348.43,0.73,3,6,87.89,-0.64,-1.11,0.53,0.34,7.28]
["Ephedra","MOL001361","GA87",362.41,-0.55,4,7,68.85,-1.14,-1.7,0.57,0.37,8.76]
["Ephedra","MOL001368","3-O-p-coumaroylquinic acid",338.34,-0.15,5,8,37.63,-1.2,-1.53,0.29,0.4,5.15]
["Ephedra","MOL001371","Populoside_qt",286.3,2.94,3,5,108.89,0.49,-0.42,0.2,0.42,5.86]
["Ephedra","MOL000296","hederagenin",414.79,8.08,1,1,36.91,1.32,0.96,0.75,0,5.35]
["Ephedra","MOL000358","beta-sitosterol",414.79,8.08,1,1,36.91,1.32,0.99,0.75,0.23,5.36]
["Ephedra","MOL000493","campesterol",400.76,7.63,1,1,37.58,1.31,0.93,0.71,0,4.71]
["Prepared Rehmannia Glutinosa","MOL000359","sitosterol",414.79,8.08,1,1,36.91,1.32,0.87,0.75,0.22,5.37]
["Prepared Rehmannia Glutinosa","MOL000449","Stigmasterol",412.77,7.64,1,1,43.83,1.44,1,0.76,0.22,5.57]
["Peach Kernel","MOL001323","Sitosterol alpha1",426.8,8.15,1,1,43.28,1.41,0.97,0.78,0.24,5.64]
["Peach Kernel","MOL001328","2,3-didehydro GA70",330.41,1.16,2,5,63.29,-0.27,-0.84,0.5,0.36,7.62]
["Peach Kernel","MOL001329","2,3-didehydro GA77",346.41,0.28,3,6,88.08,-0.67,-1.1,0.53,0.37,7.6]
["Peach Kernel","MOL001339","GA119",332.43,1.81,2,5,76.36,-0.12,-0.48,0.49,0.32,8.35]
["Peach Kernel","MOL001340","GA120",314.41,2.47,1,4,84.85,0.38,0.1,0.45,0.35,8.4]
["Peach Kernel","MOL001342","GA121-isolactone",330.41,1.34,2,5,72.7,-0.26,-0.75,0.54,0.34,7.63]
["Peach Kernel","MOL001343","GA122",330.41,1.3,2,5,64.79,-0.17,-0.73,0.5,0.34,7.01]
["Peach Kernel","MOL001344","GA122-isolactone",330.41,1.34,2,5,88.11,-0.18,-0.65,0.54,0.32,7.4]
["Peach Kernel","MOL001348","gibberellin 17",378.46,1.49,4,7,94.64,-0.87,-1.14,0.49,0.32,11.67]
["Peach Kernel","MOL001349","4a-formyl-7alpha-hydroxy-1-methyl-8-methylidene-4aalpha,4bbeta-gibbane-1alpha,10beta-dicarboxylic acid",362.46,1.54,3,6,88.6,-0.75,-1.17,0.46,0.34,11.29]
["Peach Kernel","MOL001350","GA30",346.41,0.33,3,6,61.72,-0.83,-1.3,0.54,0.35,8.74]
["Peach Kernel","MOL001351","Gibberellin A44",346.46,1.89,2,5,101.61,-0.13,-0.48,0.54,0.32,11.8]
["Peach Kernel","MOL001352","GA54",348.43,0.58,3,6,64.21,-0.5,-0.64,0.53,0.31,10.19]
["Peach Kernel","MOL001353","GA60",348.43,0.73,3,6,93.17,-0.79,-1.48,0.53,0.33,7.9]
["Peach Kernel","MOL001355","GA63",348.43,0.71,3,6,65.54,-0.57,-0.73,0.54,0.33,9.85]
["Peach Kernel","MOL001358","gibberellin 7",330.41,1.5,2,5,73.8,-0.18,-0.4,0.5,0.35,9.79]
["Peach Kernel","MOL001360","GA77",348.43,0.73,3,6,87.89,-0.64,-1.11,0.53,0.34,7.28]
["Peach Kernel","MOL001361","GA87",362.41,-0.55,4,7,68.85,-1.14,-1.7,0.57,0.37,8.76]
["Peach Kernel","MOL001368","3-O-p-coumaroylquinic acid",338.34,-0.15,5,8,37.63,-1.2,-1.53,0.29,0.4,5.15]
["Peach Kernel","MOL001371","Populoside_qt",286.3,2.94,3,5,108.89,0.49,-0.42,0.2,0.42,5.86]
["Peach Kernel","MOL000296","hederagenin",414.79,8.08,1,1,36.91,1.32,0.96,0.75,0,5.35]
["Peach Kernel","MOL000358","beta-sitosterol",414.79,8.08,1,1,36.91,1.32,0.99,0.75,0.23,5.36]
["Peach Kernel","MOL000493","campesterol",400.76,7.63,1,1,37.58,1.31,0.93,0.71,0,4.71]
["Almond","MOL010921","estrone",270.4,3.77,1,2,53.56,1.01,0.83,0.32,0.3,3.5]
["Almond","MOL010922","Diisooctyl succinate",342.58,5.99,0,4,31.62,0.72,0.13,0.23,0.2,1.98]
["Almond","MOL002211","11,14-eicosadienoic acid",308.56,7.3,1,2,39.99,1.22,0.76,0.2,0.23,5.6]
["Almond","MOL002372","(6Z,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene",410.8,11.33,0,0,33.55,2.07,1.77,0.42,0.27,3.15]
["Almond","MOL000359","sitosterol",414.79,8.08,1,1,36.91,1.32,0.87,0.75,0.22,5.37]
["Almond","MOL000449","Stigmasterol",412.77,7.64,1,1,43.83,1.44,1,0.76,0.22,5.57]
["Almond","MOL005030","gondoic acid",310.58,7.75,1,2,30.7,1.2,0.8,0.2,0.21,4.79]
["Almond","MOL000953","CLR",386.73,7.38,1,1,37.87,1.43,1.13,0.68,0.2,4.52]
["Almond","MOL000211","Mairin",456.78,6.52,2,3,55.38,0.73,0.22,0.78,0.26,8.87]
["Almond","MOL000492","(+)-catechin",290.29,1.92,5,6,54.83,-0.03,-0.73,0.24,0,0.61]
["Almond","MOL002311","Glycyrol",366.39,4.85,2,6,90.78,0.71,-0.2,0.67,0.28,9.85]
["Almond","MOL003410","Ziziphin_qt",472.78,4.39,2,4,66.95,0.49,-0.12,0.62,0.24,10]
["Almond","MOL004355","Spinasterol",412.77,7.64,1,1,42.98,1.44,1.04,0.76,0.21,5.32]
["Almond","MOL004841","Licochalcone B",286.3,2.88,3,5,76.76,0.47,-0.46,0.19,0,17.02]
["Almond","MOL004903","liquiritin",418.43,0.66,5,9,65.69,-1.06,-1.93,0.74,0,17.96]
["Almond","MOL004908","Glabridin",324.4,3.95,2,4,53.25,0.97,0.36,0.47,0,0.03]
["Almond","MOL005017","Phaseol",336.36,4.87,2,5,78.77,0.76,-0.06,0.58,0,9.64]
["Almond","MOL007207","Machiline",285.37,2.83,3,4,79.64,0.78,0.09,0.24,0.27,3.7]
["Almond","MOL012922","l-SPD",327.41,3.1,2,5,87.35,0.76,0.21,0.54,0.24,1.68]