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Ontology Browser

Term:
Parent Terms Term With Siblings Child Terms
(+)-albicanol  
(+)-aplysinillin 
(+)-DCA-CC 
(+)-delta-cadinol 
(+)-dexrazoxane +   
(+)-dihydromyricetin  
(+)-ethyl homononactyl nonactate 
(+)-flavipucine 
(+)-halomon 
(+)-homononactyl nonactate 
(+)-jasplakinolide V 
(+)-jasplakinolide W 
(+)-jasplakinolide Z1 
(+)-jasplakinolide Z2 
(+)-jasplakinolide Z3 
(+)-jasplakinolide Z5 
(+)-lyoniresinol +  
(+)-sesamin +   
(+)-syringaresinol +   
(+)-tephrorin A 
(+)-tephrorin B 
(+)-tephrosone 
(+-)-chartaceone C 
(+-)-chartaceone D 
(+-)-chartaceone E 
(+-)-chartaceone F 
(+/-)-Camphoric acid 
(-)-(S)-chlorizidine A 
(-)-anisomycin  
(-)-annonaine +  
(-)-antofine  
(-)-beta-elemene 
(-)-coronaridine +  
(-)-DCA-CC 
(-)-demecolcine  
(-)-duryne 
(-)-duryne B 
(-)-duryne C 
(-)-duryne D 
(-)-duryne E 
(-)-duryne F 
(-)-epigallocatechin 3-gallate +   
(-)-flavipucine 
(-)-gallocatechin gallate 
(-)-jasplakinolide Z4 
(-)-marinopyrrole A  
(-)-noscapine  
(-)-phenylahistin 
(-)-voacangine 
(1,2-diaminocyclohexane)PtCl2 
(11R,16S)-misoprostol +   
(13R)-13-dihydrocarminomycin 
(13R)-S-cysteinyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid 
(13R)-S-cysteinylglycinyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid 
(1R)-2-[(cyanomethyl)amino]-1-(\{[2-(difluoromethoxy)benzyl]sulfonyl\}methyl)-2-oxoethyl morpholine-4-carboxylate 
(1R,2R,4S,5S,6R,7S)4,5-epoxygermacra-9Z-en-1,2,6-triol 
(1S)-2-[(2S,5R)-2-(aminomethyl)-5-prop-1-yn-1-ylpyrrolidin-1-yl]-1-cyclopentyl-2-oxoethanamine 
(2->6)-beta-D-fructan 
(20S)-ginsenoside Rg3 +   
(20S)-ginsenoside Rh2  
(223)RaCl2 
(22E,24R)-5alpha,8alpha-epidioxyergosta-6,9,22-triene-3beta-ol-3-O-beta-D-glucopyranoside 
(24R)-24-[(alpha-L-ascarosyl)oxy]-N-(2-hydroxyethyl)-2-methyl-3-oxopentacosanamide 
(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-oyl taurine 
(25R)-5beta-spirostan-3beta-ol +  
(26R)-26-[(alpha-L-ascarosyl)oxy]-N-(2-hydroxyethyl)-3-oxoheptacosanamide 
(2E)-2-(methoxycarbonylmethyl)but-2-enedioic acid 
(2E)-3-(methoxycarbonyl)pent-2-enedioic acid 
(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2R,5S)-5-[(2S)-2-hydroxypropyl]oxolan-2-yl]propanoyl]oxybutyl]oxolan-2-yl]propanoic acid 
(2R)-2-[3-isobutyl-2,5-dioxo-4-(quinolin-3-ylmethyl)-1,4-diazepan-1-yl]-N-methyl-3-(2-naphthyl)propanamide 
(2R,2'S)-Isobuteine 
(2R,3R,4S,5R)-5-(3,4-dichlorophenyl)-5'-methyl-1',3'-dioxo-4-\{[4-(1,2,3-thiadiazol-4-yl)phenyl]carbamoyl\}-1',3',4,5-tetrahydro-3H-spiro[furan-2,2'-indene]-3-carboxylic acid 
(2R,4S)-2-[(1R)-1-carboxy-2-hydroxy-2-methylpropyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid 
(2R,4S)-2-[(1S)-1-carboxy-2-hydroxy-2-methylpropyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid 
(2R,4S)-2-[(1S)-1-carboxy-2-hydroxyethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid 
(2R,4S)-5,5-dimethyl-2-\{(1R)-2-oxo-1-[(phenylacetyl)amino]ethyl\}-1,3-thiazolidine-4-carboxylic acid 
(2S),(2''S)-8,8''-5',5''-tetrahydroxy-7,7''-3,3''-4,4''-hexamethoxy-5,5''-biflavan 
(2S),(2''S)-8,8''-5'-trihydroxy-7,7''-3,3''-4,4''-5''-heptamethoxy-5,5''-biflavan 
(2S)-(-)-kurarinone +  
(2S)-1-O-(7Z,10Z)-hexadecadienoyl-2-O-(7Z,10Z)-hexadecadienoyl-3-O-beta-D-galactopyranosyl-sn-glycerol 
(2S)-1-O-(7Z,10Z)-hexadecadienoyl-2-O-linoleoyl-3-O-beta-D-galactopyranosyl-sn-glycerol 
(2S)-1-O-(7Z,10Z,13Z)-hexadecatrienoyl-2-O-(7Z,10Z)-hexadecadienoyl-3-O-beta-D-galactopyranosyl-sn-glycerol 
(2S)-1-O-(9Z,12Z)-octadecadienoyl-2-O-(7Z,10Z)-hexadecadienoyl-3-O-(alpha-D-galactopyranosyl(1->6)-beta-D-galactopyranosyl)-sn-glycerol 
(2S)-2'-hydroxy-7,8,3',4',5'-pentamethoxyflavan 
(2S)-2'-methoxykurarinone 
(2S)-5,7-dimethoxy-8-(2S-hydroxy-3-methyl-3-butenyl)-3',4'-methylenedioxyflavanone 
(2S)-5,7-dimethoxy-8-formylflavanone 
(2S)-5-Hydroxy-7-methoxy-8-[(E)-3-oxo-1-butenyl]flavanone 
(2S)-N-((1S,2R)-2-hydroxy-1-(4-hydroxybenzyl)-3-\{[(8S,11S)-8-[(1S)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino\}propyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide 
(2S)-N-[(1S,3S,4S)-1-benzyl-4-\{[(2,6-dimethylphenoxy)acetyl]amino\}-3-hydroxy-5-phenylpentyl]-3-methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanamide 
(2S)-N-[(3Z)-5-cyclopropyl-3H-pyrazol-3-ylidene]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide 
(2S)-N-\{(1R,2R)-1-benzyl-2-hydroxy-3-[(\{4-[(E)-(hydroxyimino)methyl]phenyl\}sulfonyl)(2-methylpropyl)amino]propyl\}-3-methyl-2-\{3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl\}butanamide 
(2S,3R)-cis-caftaric acid 
(2S,3R)-trans-caftaric acid 
(2S,4S)-4-hydroxy-2,3,4,5-tetrahydrodipicolinic acid 
(2S,4S,5R)-1-(4-tert-butylbenzoyl)-2-isobutyl-5-(1,3-thiazol-2-yl)pyrrolidine-2,4-dicarboxylic acid 
(2S,4S,5R)-2-isobutyl-5-(2-thienyl)-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2,4-dicarboxylic acid 
(2S,4S,5S)-5-[((2S)-2-\{(3R)-3-benzyl-4-[(4-methylpiperazin-1-yl)carbonyl]-2-oxopiperazin-1-yl\}hexanoyl)amino]-N-butyl-6-cyclohexyl-4-hydroxy-2-isopropylhexanamide 
(2Z)-2-(Ethylsulfanyl)-2-butenedioic acid 
(3beta,16alpha)-16-hydroxy-13,28-epoxyoleanan-3-yl alpha-L-Rhap-(1->2)-beta-D-Glcp-(1->4)-[beta-D-Glcp-(1->2)]-alpha-L-arabinopyranoside 
(3E)-N-(2,6-diethylphenyl)-3-\{[4-(4-methylpiperazin-1-yl)benzoyl]imino\}pyrrolo[3,4-c]pyrazole-5(3H)-carboxamide 
(3R,4R)-1-[(1S)-carboxy-2-(methylsulfinyl)ethyl]-3-[(5S)-5-amino-5-carboxypentanamido]-4-sulfanylazetidin-2-one 
(3R,6R,8aS)-6-[(benzylsulfonyl)amino]-N-(3-carbamimidamidopropyl)-5-oxohexahydro-5H-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide 
(3S)-3-\{[3',4'-difluoro-5-(\{4'-fluoro-6-[(3S)-pyrrolidinium-3-yloxy][biphenyl]-3-yl\}carbamoyl)[biphenyl]-2-yl]oxy\}pyrrolidinium dichloride 
(3S,11aS)-3-(4-hydroxybenzyl)-2-[(1S)-1-\{[2-(4-hydroxyphenyl)ethyl]carbamoyl\}butyl]-4-oxo-3,6,11,11a-tetrahydro-4H-pyrazino[1,2-b]isoquinolin-2-ium-1-olate 
(4betaH)-5alpha-hydroxy-8alpha-(2-methylbut-2-enoyloxy)-2-oxo-1(10),11(13)-guaiadien-12,6alpha-olide 
(4betaH)-8alpha-(2-methylbut-2-enoyloxy)-2-oxo-1(5),10(14),11(13)-guaiatrien-12,6alpha-olide 
(4R)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid 
(4S)-4-\{[(5-amino-6-oxo-2-thiophen-2-ylpyrimidin-1(6H)-yl)acetyl]amino\}-2,2-difluoro-5-methyl-N-(2-morpholin-4-ylethyl)-3-oxohexanamide 
(4Z,7Z,10Z,13Z,15E,19Z)-17-oxodocosahexaenoic acid 
(5,6-dimethyl-1,10-phenanthroline)(1S,2S-diaminocyclohexane)platinum(II)(2+) 
(5-fluoro-2-\{[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]carbamoyl\}phenoxy)acetic acid 
(5S)-2-\{2-[(4-bromophenyl)sulfonyl]ethyl\}-N-[(trans-4-carbamimidoylcyclohexyl)methyl]-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide 
(5S)-3-(3-acetylphenyl)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-\{isobutyl[(4-methoxyphenyl)sulfonyl]amino\}propyl]-2-oxo-1,3-oxazolidine-5-carboxamide 
(5S)-3-(4-acetylphenyl)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-\{isobutyl[(4-methoxyphenyl)sulfonyl]amino\}propyl]-2-oxo-1,3-oxazolidine-5-carboxamide 
(5S)-5-(carboxymethyl)-L-proline 
(5S)-5-[(2S)-2-amino-2-carboxyethyl]-4,5-dihydroisoxazole-3-carboxylic acid 
(5S)-N-[(trans-4-carbamimidoylcyclohexyl)methyl]-2-(2,2-diphenylethyl)-7-methyl-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide 
(5S)-N-[trans-4-(2-amino-1H-imidazol-5-yl)cyclohexyl]-2-(2,2-diphenylethyl)-7-methyl-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide 
(5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione 
(5Z,9Z,12Z)-octadecatrienoic acid +  
(6R,7R)-7-[[(2R)-2-carboxy-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-7-methoxy-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 
(6S)-5-formyltetrahydrofolic acid 
(6S,8aS)-2-(benzylsulfonyl)-N-\{[1-(N'-hydroxycarbamimidoyl)piperidin-4-yl]methyl\}-4-oxooctahydropyrrolo[1,2-a]pyrazine-6-carboxamide 
(7S)-2-[(carboxycarbonyl)amino]-7-\{[(1,1-dioxido-1,2-benzothiazol-3-yl)oxy]methyl\}-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid 
(8S)-cystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoic acid 
(8S)-glycinylcystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoic acid 
(9E,11E)-octadecadienoic acid +   
(9Z,11E,13Z)-octadecatrienoic acid +  
(?)-Camphoric acid 
(\{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino\}methyl)boronic acid 
(E)-1-(2,3-dihydro-1H-pyrrol-1-yl)-2-methyldec-8-ene-1,3-dione 
(E)-2-[[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid 
(E)-3-methylglutaconic acid +  
(E)-N-(3-hydroxy-1-oxocyclopent-2-en-2-yl)-3-(4-hydroxy-3-methoxyphenyl) propenamide 
(E)-trans-miyabenol C 
(E,E)-bilirubin 
(E,E)-germacrone  
(R)-2-(phosphonomethyl)malic acid 
(R)-amygdalin  
(R)-bicalutamide +   
(R)-homocamptothecin +  
(R)-iclaprim +  
(R,R,S)-lobaplatin +   
(S)-glaucine +   
(S)-iclaprim +  
(S,S,S)-lobaplatin +   
(Z)-3-hydroxydec-2-enedioic acid 
1'-acetoxychavicol acetate  
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose 
1,2,4-triazole-3-carboxamide +   
1,2-Cyclohexanedicarboxylic acid, 4-methyl- 
1,2-Dihydrophthalic acid 
1,3,6,8-tetraazatricyclo[6.2.1.1(3,6)]dodecane 
1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6'-O-acetyl)-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside 
1,3-Butyleneglycol dimethacrylate 
1,3-Cyclohexanedicarboxylic acid 
1,3-selenazole-4-carboxamide adenine beta-methylenedinucleotide 
1,3-selenazole-4-carboxamide adenine dinucleotide 
1,3-thiazolecarboxamide +  
1,4-cyclohexanedicarboxylic acid 
1,4-di-O-acetyl hygrophorone E10 
1,4-di-O-acetyl hygrophorone E12 
1,4-di-O-acetyl hygrophorone E14 
1,5,6-trihydroxy-6',6'-dimethyl-2H-pyrano(2',3':3,4)-2-(3-methylbut-2-enyl)xanthone 
1,6,7-trihydroxy-6',6'-dimethyl-2H-pyrano(2',3':3,2)-4-(3-methylbut-2-enyl)xanthone 
1-(2,3-dihydro-1H-pyrrol-1-yl)-2-methyldecane-1,3-dione 
1-(2,4-dichlorophenyl)-5-methyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylic acid +  
1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)propane 
1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone 
1-(carboxymethyl)cyclohexane-1-carboxylic acid 
1-(phenanthren-2-ylcarbonyl)piperazine-2,3-dicarboxylic acid +  
1-\{4-[(2-hydroxyethyl)carbamoyl]benzyl\}-1-methylpiperidinium +  
1-acetylpiperidine 
1-allyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)-1,2-dihydroquinoline-3-carboxamide 
1-allyl-4-hydroxy-2-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-1,2-dihydroquinoline-3-carboxamide 
1-behenoylglycerol 
1-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-2-oxoquinoline-3-carboxamide 
1-deoxysphinganine +  
1-isothiocyanato-6-(methylsulfanyl)hexane 
1-methyltryptophan  
1-O-(alpha-D-galactosyl)-N-hexacosanoylphytosphingosine +   
1-O-caffeoylquinic acid 
1-ribosylimidazolecarboxamide +   
10-hydroxycanthin-6-one 
10058-F4 
11beta-prostaglandin F2alpha ethanolamide 
12-deacetoxy-21-acetoxyscalarin 
12-ketomethymycin +  
12-O-acetyl-16-O-deacetyl-16-epi-scalarobutenolide 
13(S)-HODE 
13,14-dihydro-Delta(12)-prostaglandin J2  
13-deoxycarminomycin 
14-norpseurotin A 
15-O-deacetylnimbolidin B 
15-oxo-beta-bilirubin 
16(S)-cystein-S-yl,17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoic acid 
16(S)-glycinylcystein-S-yl-17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoic acid 
16,23-epoxy-5beta-cholestane triglycoside 
16-O-deacetyl-16-epi-scalarolbutenolide 
16beta-[(alpha-L-arabinopyranosyl)oxy]-3beta-[(beta-D-glucopyranosyl)oxy]-17alpha-hydroxycholest-5-en-22-one 
16beta-[(O-(2-O-(E)-cinnamoyl-beta-D-xylopyranosyl)-(1->2)-2-O-acetyl-alpha-L-arabinopyranosyl)oxy]-3beta-[(beta-D-glucopyranosyl)oxy]-17alpha-hydroxycholest-5-en-22-one 
17-epi-17-hydroxyazadiradione 
17alpha-ethynylestradiol 3-sulfate 
17alpha-hydroxywithanolide D 
18-oxotryprostatin A 
1R,4S,6R-1,4-endoperoxy-bisabola-2,10-diene 
1S,4R,6R-1,4-endoperoxy-bisabola-2,10-diene 
1S,6R-di(2-)methylbutanoyloxy-4S-hydroxy-8S-benzoyloxy-9R-(3-)furancarbonyloxy-13-acetyloxy-beta-dihydroagarofuran 
2',4'-dihydroxy-3'-(2-hydroxy benzyl)-6'-methoxy chalcone 
2'-(S-L-cysteinyl)-L-histidine 
2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid 
2,2'-[(2-amino-2-oxoethyl)imino]diacetic acid 
2,3-butanediol diacetate 
2,3-dihydro-3beta-O-sulfate withaferin A 
2,3-Methylenesuccinic acid 
2,4,4',6-tetrahydroxydibenzoylmethane 
2,4,7-trihydroxypteridine 
2,4-diamino-6,7-diisopropylpteridine 
2,4-diaminopteridine-6-carbaldehyde 
2,5-bis(2-hydroxyethylamino)-3,6-diaziridinylbenzoquinone 
2,5-bis(5-carboxy-3-ethyl-4-methylpyrrol-2-ylmethyl)-3,4-diethylpyrrole 
2,5-bis(hydroxymethyl)furan diacetate 
2,5-diimino-3,4-bis(indol-3-yl)hexanedioic acid 
2,5-diphenylfuran-3,4-dicarboxylic acid 
2,5-epoxy-2beta-hydroxy-8alpha-(2-methylbut-2-enoyloxy)-4(15),10(14),11(13)-germacratrien-12,6alpha-olide 
2-((2-hydroxyethyl)sulfanyl)-N-methylpropionamide +  
2-(2,4-dihydroxy-5-prenylphenyl)-5,6-methylenedioxybenzofuran 
2-(2-amino-1,3-thiazol-4-yl)-2-(1-carboxy-1-methylethoxyimino)acetylaminomethylboronic acid 
2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid 
2-(3-isopropyloxyphenyl)-N-(pyridin-4-yl)quinoline-4-carboxamide 
2-(4'-Methylthio)butylmalic acid 
2-(4-chlorophenyl)-N-\{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl\}-2-(prop-2-yn-1-yloxy)acetamide +  
2-(5'-Methylthio)pentylmalic acid 
2-(6'-Methylthio)hexylmalic acid 
2-(6-methoxy-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-[4-(piperazin-1-yl)pyridin-3-yl]-1,3-thiazole-4-carboxamide 
2-(7'-Methylthio)heptylmalic acid 
2-(7-aminoheptyl)guanidine 
2-(acetamidomethylidene)succinic acid 
2-(carboxymethyl)-1-oxo-1,2-dihydronaphtho[1,2-d]-1,2-thiazole-4-carboxylic acid 3,3-dioxide 
2-(ethoxyimino)-2-ketoglutaric acid 
2-(omega-methylthio)alkylmaleic acid +  
2-(p-coumaroyl)malic acid 
2-(phosphinomethylidene)succinic acid 
2-[(2,2-difluoro-2-pyridinium-2-ylethyl)amino]-4-(2-\{[(3-fluoro-4-methylpyridin-2-yl)methyl]amino\}-2-oxoethyl)-5-methyl-3-oxo-3,4-dihydropyrazin-1-ium 
2-[(diphenylmethyl)sulfinyl]acetamide +   
2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide +   
2-[5-[2-[2-[5-(2-Hydroxybutyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid 
2-[5-[2-[2-[5-(2-Hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid 
2-[5-[2-[2-[5-(2-Oxopropyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid 
2-\{2-[(2,5-dimethylphenoxy)methyl]phenyl\}-2-methoxy-N-methylacetamide +  
2-\{4-[(3R)-piperidin-3-yl]phenyl\}-2H-indazole-7-carboxamide 
2-acetamidophenol  
2-amino-2-deoxyisochorismic acid 
2-amino-3-cyano-7-(dimethylamino)-4-(2-methoxyphenyl)-4H-chromene 
2-amino-4-(3-nitrophenyl)-3-cyano-7-(dimethylamino)-4H-chromene  
2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoic acid 
2-amino-6,7-dimethyl-4-oxo-8-(1'-D-ribityl)-4,8-dihydropteridine 
2-amino-6-(1-hydroxypropyl)-8-methylpteridine-4,7(3H,8H)-dione 
2-aminopurine +   
2-benzylsuccinic acid +  
2-cyano-N-[1-(2,4-dichlorophenyl)ethyl]-3,3-dimethylbutanamide +  
2-fluoroadenine +  
2-formylglutaric acid 
2-heptylfuran 
2-Hydroxy-2-ethylsuccinic acid 
2-hydroxydicarboxylic acid +   
2-hydroxylinoleic acid 
2-hydroxymelatonin 
2-hydroxymethylglutaric acid +  
2-hydroxyoleic acid 
2-isopropylmaleic acid 
2-isopropylmalic acid +  
2-methoxy-12-methyloctadec-17-en-5-ynoyl anhydride 
2-methoxy-17beta-estradiol +   
2-methoxy-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]acetamide 
2-methylbutanedioic acid +  
2-methylene-3-methylsuccinic acid 
2-methylideneglutaric acid 
2-Oxo-5-methyl-cis-muconate 
2-phenylacetamide 
2-Propylglutaric acid 
2-propylmalic acid +  
2-Propylsuccinic acid 
2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid +  
2-succinylbenzoic acid +  
20(R),22(xi),24(S)-dammar-25(26)-ene-3beta,6alpha,12beta,20,22,24-hexanol 
20-epi-bryonolic acid 
20-hydroxy-20-oxoleukotriene B4-20-(beta-D-glucuronide) 
20-hydroxytubocapsanolide A 
23,24-dimethylcholest-16(17)-E-en-3beta,5alpha,6beta,20(S)-tetrol 
23-hydroxytubocapsanolide A 
25-O-methoxycimigenol 3-O-alpha-L-arabinopyranoside 
28-deoxonimbolide  
2alpha-(2'-pyrrolyl)-4alpha-methoxycarbonyl-5beta-[(2''-methyl)-heptyl]-1,3-oxazacyclohexane 
2alpha-(3-hydroxypropyl)-1alpha,25-dihydroxy-19-norvitamin D3 
2beta-methoxy-2-deethoxy-8-O-deacylphantomolin-8-O-tiglinate 
2beta-methoxy-2-deethoxyphantomolin 
3',4',5-trihydroxy-3,6,7-trimethoxyflavone 
3',4',7-trihydroxyisoflavone  
3',4'-difluoro-N-\{4'-fluoro-6-[(3S)-pyrrolidin-3-yloxy][biphenyl]-3-yl\}-6-[(3S)-pyrrolidin-3-yloxy][biphenyl]-3-carboxamide 
3'-deamino-3'-(3-cyanomorpholin-4-yl)doxorubicin  
3'-deoxy-3',4'-didehydro-CTP 
3,3'-diindolylmethane  
3,3'-dimethylquercetin 
3,3'-Thiobispropanoic acid  
3,4'-dimethylkaempferol 
3,4-bis(7-chloroindol-3-yl)-2,5-diiminohexanedioic acid 
3,4-dihydroxybenzoic acid +   
3,5-di-O-caffeoyl quinic acid +  
3,5-dihydroxy-2-(1'-oxo-3'-hexadecenyl)-2-cyclohexene-1-one 
3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside 
3,7-dihydroxytropolone 
3-(1-carboxyvinyloxy)anthranilic acid 
3-(2'-Methylthio)ethylmalic acid 
3-(3'-Methylthio)propylmalic acid 
3-(4'-Methylthio)butylmalic acid 
3-(5'-Methylthio)pentylmalic acid 
3-(6'-Methylthio)hexylmalic acid 
3-(7'-Methylthio)heptylmalic acid 
3-(\{[5-(2-piperidin-4-ylethyl)thieno[2,3-b]thiophen-2-yl]carbonyl\}amino)-N-(pyridin-3-ylsulfonyl)-D-alanine 
3-(\{cis-4-[(2-\{[2-(acetylamino)ethyl]disulfanyl\}ethyl)carbamoyl]cyclohexyl\}carbamoyl)pyrazine-2-carboxylic acid 
3-(acetamidomethylidene)-2-(hydroxymethyl)succinic acid 
3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]pyrazole-4-carboxamide +  
3-[(1-carboxyvinyl)oxy]benzoic acid 
3-[2,4-diamino-7-(3-hydroxyphenyl)-6-pteridinyl]phenol 
3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid  
3-[isopropyl(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid 
3-acetamidopropanal 
3-acetamino-6-isobutyl-2,5-dioxopiperazine 
3-beta-O-(E)-coumaroyl-D:C-friedooleana-7,9(11)-dien-29-oic acid 
3-bromopyruvic acid  
3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenyl-1H-indole-6-carboxylic acid 
3-epi-heliangin 
3-hydroxy-2-hydroxymethyl-9,10-anthraquinone 
3-hydroxy-3-methylglutaric acid +  
3-hydroxydodecanedioic acid 
3-hydroxysuberic acid 
3-iodo-4-aminobenzyl-5'-N-methylcarboxamidoadenosine 
3-iodobenzyl-5'-N-methylcarboxamidoadenosine  
3-Methoxy-3-oxopropanoic acid 
3-methylbenzylsuccinic acid 
3-methylfentanyl 
3-methylmalic acid +  
3-methylthiofentanyl +  
3-O-ethylentacapone 
3-O-feruloylcycloartenol 
3-O-methylentacapone 
3-O-vanillyceanothic acid 
3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]tetradecanamide 
3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)- 
3beta,12-dihydroxy-13-methyl-5,8,11,13-podocarpatetraene-7-one 
3beta,12-dihydroxy-13-methyl-6,8,11,13-podocarpatetraene 
3beta-[(beta-D-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(O-(2-O-3,4,5-trimethoxybenzoyl-beta-D-xylopyranosyl)-(1->3)-2-O-acetyl-alpha-L-arabinopyranosyl)oxy]cholest-5-en-22-one 
3beta-[(beta-D-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(O-(2-O-3,4-dimethoxybenzoyl-beta-D-xylopyranosyl)-(1->3)-2-O-acetyl-alpha-L-arabinopyranosyl)oxy]cholest-5-en-22-one 
3beta-[(beta-D-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(O-beta-D-xylopyranosyl)-(1->3)-2-O-acetyl-alpha-L-arabinopyranosyloxy]cholest-5-en-22-one 
3beta-[(O-beta-D-glucopyranosyl-(1->3)-4,6-dideoxy-2-O-methyl-beta-D-gulopyranosyl)]-5beta,14beta-dihydroxy-19-oxocard-20(22)enolide 
3beta-[(O-beta-D-glucopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(O-(2-O-3,4,5-trimethoxybenzoyl-beta-D-xylopyranosyl)-(1->3)-2-O-acetyl-alpha-L-arabinopyranosyl)oxy]cholest-5-en-22-one 
3beta-[(O-beta-D-glucopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(O-(2-O-3,4-dimethoxybenzoyl-beta-D-xylopyranosyl)-(1->3)-2-O-acetyl-alpha-L-arabinopyranosyl)oxy]cholest-5-en-22-one 
3beta-[(O-beta-D-glucopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-17alphahydroxy-16beta-[(O-(3-O-3,4-dimethoxybenzoyl-beta-D-xylopyranosyl)-(1->3)-2-O-acetyl-alpha-L-arabinopyranosyl)oxy]cholest-5-en-22-one 
3beta-[(O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(O-(2-O-3,4,5-trimethoxybenzoyl-beta-D-xylopyranosyl)-(1->3)-2-O-acetyl-alpha-L-arabinopyranosyl)oxy]cholest-5-en-22-one 
3beta-[(O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-17alpha-hydroxy-16beta-[(O-(2-O-3,4-dimethoxybenzoyl-beta-D-xylopyranosyl)-(1->3)-2-O-acetyl-alpha-L-arabinopyranosyl)oxy]cholest-5-en-22-one 
3beta-O-\{alpha-L-Rhap-(1->2)-beta-D-Glcp-(1->4)-[beta-D-Glcp-(1->2)]-alpha-L-Arap\}primulagenin A 
3PO 
4''-dehydro-3-hydroxyterphenyllin 
4',5'-dihydro-11,5'-dihydroxy-4'-methoxytephrosin 
4',5,7-trihydroxy-3'-methoxyflavone +   
4'-demethyldeoxypodophyllotoxin 
4'-demethylepipodophyllotoxin +   
4'-epidoxorubicin  
4'-hydroxychalcone  
4,4'-disulfanyldibutanoic acid 
4,5,4'-trihydroxy-3,3'-dimethoxybibenzyl  
4,8-Dimethyl-1,5-dioxacyclooctane-2,6-dione 
4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-pyrazole-3-carboxamide 
4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid glucuronide 
4-(2-hydroxy-5-methylphenylazo)acetanilide 
4-(4-\{(2S,5S)-5-[2-(dibenzylamino)-2-oxoethyl]-2-heptyl-4-oxo-1,3-thiazolidin-3-yl\}butyl)benzoic acid 
4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide 
4-\{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino\}benzoic acid  
4-\{[(E)-amino(imino)methyl]amino\}-N-(\{(2S)-1-[N-(2-naphthylsulfonyl)-L-seryl]pyrrolidin-2-yl\}methyl)butanamide 
4-acetamidobutanal 
4-amino-1-methyl-3-propylpyrazole-5-carboxamide 
4-amino-4-deoxyprephenic acid 
4-amino-6,7-diphenyl-3H-pteridine-2-thione 
4-amino-TEMPO +   
4-aminoantipyrine 
4-aminofolic acid  
4-carboxy-2-hydroxymuconate semialdehyde hemiacetal 
4-fluorofentanyl 
4-hydroperoxycyclophosphamide  
4-hydroxy-1-isobutyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoquinoline-3-carboxamide 
4-hydroxy-1-isobutyl-N-(5-methyl-1,3-thiazol-2-yl)-2-oxoquinoline-3-carboxamide 
4-hydroxy-1-isopentyl-N-(5-methyl-1,3-thiazol-2-yl)-2-oxoquinoline-3-carboxamide 
4-hydroxy-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-1,2-dihydro-3-quinolinecarboxamide 
4-hydroxy-TEMPO +   
4-hydroxyphenyl retinamide  
4-hydroxyphenylacetylglycine 
4-iodo-6-phenylpyrimidine 
4-methoxymagnaldehyde B 
4-methyl-5-pentylbenzene-1,3-diol 
4-methylaeruginoic acid 
4-methylumbelliferone +   
4-methylumbelliferone beta-D-glucuronide  
4-Oxohex-1,6-diyl diacetate 
4-phenylbutyric acid  
4-terpineol +   
4-thiouridine 
4alpha-(3-methyl-4-formyloxy-heptyl)-3alpha-methyl-2-oxetanone 
4alpha-(3-methyl-4-formyloxy-hexyl)-3alpha-methyl-2-oxetanone 
4E,15Z-bilirubin IXa 
5'-O-[(S)-\{[6-(\{[6-(\{6-[(6-carbamoyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)carbonyl]-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl\}carbonyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl]carbonyl\}amino)hexyl]oxy\}(hydroxy)phosphoryl]thymidine 
5'-O-\{(S)-hydroxy[(3-\{[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]amino\}propanoyl)oxy]phosphoryl\}cytidine 
5,6,6'-trihydroxy-5'-methoxy[biphenyl]-3,3'-dicarboxylic acid 
5,6,7,8-tetrahydropteridine 
5,6-epoxyretinoic acid +  
5,7,3'-trihydroxy-4'-methoxy-8,2'-di(3-methyl-2-butenyl)-(2S)-flavanone 
5-(2,2-diferuloylethen-1-yl)thalidomide 
5-(6-aminohexanamido)isatin 
5-(6-O-malonyl-beta-D-glucosyloxy)-indole-3-carboxylic acid 
5-(N,N-hexamethylene)amiloride  
5-(tetradecyloxy)-2-furoic acid  
5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid +  
5-[2-(feruloyl)ethen-1-yl]thalidomide 
5-aminoimidazole-4-carboxamide  
5-aminolevulinic acid +   
5-aminolevulinic acid hydrochloride 
5-azacytidine  
5-bromo-2'-deoxyuridine  
5-bromo-8-methoxy-1-methyl-beta-carboline 
5-chloro-7-iodoquinolin-8-ol  
5-cyano-N-[5-(hydroxymethyl)-2-(4-methylpiperidin-1-yl)phenyl]furan-2-carboxamide 
5-fluoroanthranilic acid 
5-fluorouracil  
5-heptadecylresorcinol 
5-hydroxy-2-(1'-hydroxyethyl)naphtho[2,3-b]furan-4,9-dione 
5-hydroxy-2-methylchromone-7-O-rutinoside 
5-hydroxy-6-methoxy-2-methylchromone-7-O-rutinoside 
5-hydroxy-7-prop-2-en-(E)-ylidene-7,7a-dihydro- 2H-cyclopenta[b]pyran-6-one 
5-hydroxy-7-prop-2-en-(Z)-ylidene-7,7a-dihydro- 2H-cyclopenta[b]pyran-6-one 
5-hydroxyimidazole-4-carboxamide 
5-iodo-2'-deoxyuridine  
5-iodouracil 
5-L-glutamyl amino acid +  
5-O-ethyl embelin 
5-O-methyl embelin 
5-oxo-delta-bilirubin 
5alpha,8alpha-epidioxycholest-6-en-3beta-ol 
5alpha,8alpha-epidioxysterol 
5E-7-oxozeaenol 
5Z-7-oxozeaenol  
6'',7''-dihydro-5',5'''-dicapsaicin 
6'-O-galloylalbiflorin 
6,11-Di-O-acetylalbrassitriol 
6,7-bis(4-aminophenyl)pteridine-2,4-diamine 
6,7-dihydropteridines +  
6,7-dimethyl-8-(1-D-ribityl)lumazine 
6-(carboxymethoxy)hexanoic acid 
6-(Hydroxymethyl)-2,4(1H,3H)-pteridinedione 
6-(hydroxymethyl)-8-(1-D-ribityl)lumazine 
6-[1'-oxo-3'(R)-hydroxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran 
6-[1'-oxo-3'(R)-methoxy-butyl]-5,7-dimethoxy-2,2-dimethyl-2H-1-benzopyran 
6-[4-amino-4-hydroxy-2-oxo-3,4-dihydropyrimidin-1(2H)-yl]-3-[3-amino-5-(N-methylguanidino)pentanoylamino]-3,6-dihydro-2H-pyran-2-carboxylic acid 
6-\{[1-(benzylsulfonyl)piperidin-4-yl]amino\}-3-(carboxymethoxy)thieno[3,2-b][1]benzothiophene-2-carboxylic acid 
6-\{[5-(p-nitrophenoxy)-5-oxopentanoyl]amino\}hexanoic acid 
6-aminonicotinamide  
6-aminopenicilloyl-benzylamine 
6-aminopenicilloyl-butylamine 
6-anilino-5,8-quinolinedione  
6-azauracil 
6-azauridine +   
6-azauridine 5'-monophosphate 
6-azauridine 5'-monophosphate(2-) 
6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide +   
6-chloro-7-[2-(4-morpholinyl)ethylamino]quinoline-5,8-dione 
6-diazo-5-oxo-L-norleucine 
6-fluoro-2',5'-dioxo-2,3-dihydrospiro[chromene-4,4'-imidazolidine]-2-carboxamide +  
6-hydroxypaclitaxel  
6-methoxyspirotryprostatin B 
6-methyl-7-oxo-8-(1-D-ribityl)lumazine (2-hydroxy tautomer) 
6-methyl-7-oxo-8-(1-D-ribityl)lumazine (2-oxo tautomer) 
6-propyl-2-thiouracil +   
7,3',4'-trihydroxy-3,8-dimethoxyflavone 
7,8-dehydrocerberin 
7,8-dihydroxyflavanone 
7,8-dihydroxyflavone +  
7-(2-amino-2-carboxyethyl)-5-hydroxy-2H-1,4-benzothiazine-3-carboxylic acid 
7-(2-hydroxyethyl)-6-methyllumazine 
7-(4''-hydroxy-3''-methoxyphenyl)-1-phenyl-4E-heptene-3-one 
7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone 
7-(diethylamino)-N-[(Z)-2-(2,5-dioxopyrrolidin-1-yl)vinyl]-2-oxo-2H-chromene-3-carboxamide 
7-amino-1-(5-nitro-2-furyl)-1,8-dioxo-11,14,17,20,23-pentaoxa-2-azahexacosan-26-amide 
7-amino-1-methyl-3-[2-methyl-5-(\{[3-(trifluoromethyl)phenyl]carbonyl\}amino)phenyl]-2-oxo-2,3-dihydropyrimido[4,5-d]pyrimidin-1-ium 
7-deacetyl-7-benzoylgedunin 
7-hydroxy-6-methyl-8-(1-D-ribityl)lumazine 
7-methoxydeoxymorellin 
7-nor-ergosterolide 
7-oxo-3,8,9-trihydroxy staurosporine 
7-oxo-8,9-dihydroxy-4'-N-demethyl staurosporine 
7-oxotaurodeoxycholic acid 
7-oxotaurolithocholic acid 
7alpha-acetoxymultiplolide A 
7alpha-hydroperoxy manool 
8,5'-diferulic acid 
8,8a-epoxymorellic acid 
8-(1,2-dideoxy-1-D-ribityl)-7-methyllumazine 
8-(1,4-dideoxy-1-D-ribityl)-6-methyllumazine 
8-(1,4-dideoxy-1-D-ribityl)-7-methyllumazine 
8-(1,5-dideoxy-1-D-ribityl)-7-methyllumazine 
8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine 
8-(2-hydroxyethyl)-6-methyllumazine 
8-(3-hydroxypropyl)-7-methyllumazine 
8-(4-hydroxybutyl)-6-methyllumazine 
8-(4-hydroxybutyl)-7-methyllumazine 
8-(5-hydroxypentyl)-7-methyllumazine 
8-acetoxy-4,10-dihydroxy-2,11(13)-guaiadiene-12,6-olide 
8-acetyl homononactic acid 
8-azaguanine +   
8-hydroxy-2-(1'-hydroxyethyl)naphtho-[2,3-b]-furan-4,9-dione 
8-hydroxy-2-oxabicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid 
8-PIP-cAMP 
8alpha-acetoxymultiplolide A 
9(11)-dehydroaxinysterol 
9-(methylsulfinyl)nonamide 
9-amino-N-(2-morpholin-4-ylethyl)acridine-4-carboxamide 
9-beta-D-arabinofuranosylguanine +  
9-cis-retinoate 
9-cis-retinoic acid +   
9-deacetoxyfumigaclavine C 
9-hydroxy hedychenone 
9-hydroxycanthin-6-one  
9-hydroxyellipticine  
9-methoxycanthin-6-one 
9alpha,11alpha-dihydroxyergosta-4,6,8(14),22-tetraen-3-one 
9H-purine-2,6-diamine +  
\{4-[(carboxymethoxy)carbonyl]-3,3-dioxido-1-oxonaphtho[1,2-d]-1,2-thiazol-2(1H)-yl\}acetic acid 
A-Ketoglutaric acid oxime 
A2-32-01 
A2-58-06 
abarelix 
abexinostat  
abiraterone +   
abiraterone acetate 
ABT-737  
abyssinone A 
abyssinone C 
abyssinone D 
Ac-Asp-Glu  
acadesine +   
acalabrutinib  
acebutolol  
acetamide +   
acetazolamide +   
acetoacetamide 
acetochlor  
acetyl aleuritolic acid 
Acetyl botryenaloate 
Acetyl-3-hydroxyisobutyric acid 
acivicin  
aclacinomycin A  
aclacinomycin A zwitterion 
aclacinomycin N 
aclacinomycin S 
aclacinomycin S zwitterion 
aclacinomycin T 
aclacinomycin T hydrochloride 
aclacinomycin T zwitterion 
acriflavinium chloride 
Acromelic acid B 
Acromelic acid C 
acronycine 
Acrostalic acid 
actinodaphnine 
actinorhodin 
aculeatol E 
acumitin 
acyclovir  
adapalene  
adavosertib  
adefovir +   
adefovir pivoxil  
adenine arabinoside +   
adenosine-5'-(N-butyl)carboxamide 
adenosine-5'-(N-propyl)carboxamide 
adonixanthin 
adxanthromycin A 
adxanthromycin B 
AEE788 
afamelanotide  
afatinib +   
afatinib dimaleate 
afimoxifene  
agathisflavone  
ageladine A  
agigenin +  
aglaiabbreviatin F 
akebia saponin D 
AKI00000020a 
aklavinone +   
alachlor  
alantolactone +   
alatolide 
albizoside A 
albizoside B 
albizoside C 
aldaric acid +   
alectinib  
alectinib hydrochloride 
alfentanil  
alfuzosin +   
alisertib 
aliskiren +   
alizarin complexone 
all-cis-5,8,11,14,17-icosapentaenoic acid +  
all-cis-docosa-4,7,10,13,16,19-hexaenoic acid +   
all-trans-4-oxoretinol  
all-trans-retinoic acid +   
allanxanthone C 
allopurinol +   
allyl isothiocyanate  
alminoprofen 
Aloe emodin  
aloxistatin  
alpha,omega-dicarboxylic acid +   
alpha-(4-hydroxyphenyl)-N-tert-butylnitrone 
alpha-Allokainic acid 
alpha-D-Galp-(1->4)-beta-D-Galp-(1->4)-beta-D-Glcp-O(CH2)2S(CH2)2CONH2 
alpha-D-Galp-(1->4)-beta-D-Galp-O(CH2)2S(CH2)2CONH2 
alpha-D-NeuNAc-(2->9)-alpha-D-NeuNAc 
alpha-ketoglutaric acid-13C4 
alpha-mangostin  
alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-Glcp +   
alpha-peltatin +  
alpha-tocopheryloxyacetic acid 
alsterpaullone  
alvaradoin E 
alvaradoin F 
alvaradoin G 
alvaradoin H 
alvaradoin I 
alvaradoin J 
alvaradoin K 
alvaradoin L 
alvaradoin M 
alvaradoin N 
alvocidib  
alvocidib hydrochloride 
AM-251  
AMG-208 
AMG-925 
amidobenzoic acid +   
amidopiperidine +   
amino dicarboxylic acid +   
aminoglutethimide +   
amomol A 
amoxicilloyl-benzylamine 
amoxicilloyl-butylamine 
ampicilloyl-butylamine 
ampiroxicam 
amrubicin +  
amrubicinol 
amsacrine  
anaerobilin 
anastrozole +   
ancitabine  
ancitabine hydrochloride 
andrographolide  
ansamitocin P3 
anthra[1,9-cd]pyrazol-6(2H)-one  
anthramycin 
anticapsin 
anticapsin zwitterion 
antifolate +   
antipruritic drug +   
antipsoriatic +   
antiseborrheic +   
antroquinonol  
AOH1996 
aphidicolin  
apigenin +   
aplysinoplide A 
aplysinoplide B 
aplysinoplide C 
apocynin  
apratoxin A  
apratoxin D 
apratoxin E 
AR-42 
ardisianoside A 
ardisianoside B 
ardisianoside C 
ardisianoside D 
ardisianoside E 
ardisiphenol A 
ardisiphenol B 
ardisiphenol C 
Arecoic acid A 
Arecoic acid B 
Arecoic acid C 
Arecoic acid D 
Arecoic acid E 
Arecoic acid F 
arenamide A 
arenamide B 
arenecarboxamide +   
arglabin +  
arotinoid acid  
ARS-1620  
artesunate  
artocarpin 
artochamin C 
artoindonesianin E1 
artoindonesianin P 
aryl(methyl)malonic acid +  
AS-I-145 
AS1842856 
ascochlorin 
ascofuranone 
ascomycin  
ASP-3026 
asperfuranone 
aspergillide A 
aspergillide B 
aspergillide C 
Aspergilumamide A 
aspernigrin A +  
aspernigrin B 
asperphenamate  
asprellic acid A 
asprellic acid C 
astromicin +  
asukamycin 
AT7867 
atenolol +   
atenolol-desisopropyl 
atractyligenin 2-glucuronide 
atromentin 
ATTO 565 +  
ATTO 565 meta-isomer(1+) +  
ATTO 565 para-isomer(1+) +  
ATTO 590 +  
ATTO 590 meta-isomer(1+) +  
ATTO 590 para-isomer(1+) +  
auranofin  
auraptene  
aureothin 
austocystin D 
avanafil 
avenanthramide B 
avenic acid B 
avibactam 
axitinib  
AZ505 
azadirone +  
azaserine 
azathioprine  
AZD-1152 +  
AZD-8055 
AZD1080 
AZD2858 
AZD3463 
AZD7762 
AZT-1152 
b-AP15 
bacillaene 
baicalein +   
baicalin  
baricitinib  
bassianolide 
batimastat  
BAY 60-6583  
BAY-826 
BAY11-7085 
BAYu9773 
BC 01 C3 
BCI-215 
BDA-366 
BE-54238A 
BE-54238B 
beauvericin  
belinostat  
benazeprilat +   
benzenedicarboxylic acid +   
benznidazole 
benzquinamide +  
benzylpenicilloyl-benzylamine 
benzylpenicilloyl-butylamine 
benzylpenicilloyl-cysteine 
berberine  
berkeleydione 
beta-aminopropionitrile +   
beta-aminopropionitrile hemifumarate 
beta-D-glucuronamide 
beta-elemene +  
beta-lapachone  
beta-peltatin 
beta-thujaplicin  
beta-tocotrienol  
betalamic acid 
betamethasone +   
betamethasone phosphate 
betulin +   
betulinic acid +   
bexarotene  
bezafibrate  
BF 4 
BF 5 
BF 6 
BGJ-398 
BGT226 
BGT226 free base 
BI-2536  
bianfugenine 
bicalutamide  
bictegravir  
bielschowskysin 
bigelovin 
BIIB021 
bilirubin IIIalpha 
bilirubin IXalpha  
bilirubin XIIIalpha 
biliverdin beta 
biliverdin delta 
bimatoprost 
binimetinib  
biochanin A +   
biocytin +  
biotin amide 
Bipolenin C 
bis(S-citronellalthiosemicarbazonato)nickel(II) 
bisantrene 
bistratamide E 
bistratamide F 
bistratamide G 
bistratamide H 
bistratamide I 
bistratamide J 
BKM120  
bleomycin A2  
bleomycin A5  
bleomycin B2 
bleomycin hydrochloride 
BML-210 
BMS-214662 
BMS-754807  
BMY-25067  
Bonactin 
borrelidin  
bortezomib  
bosutinib +   
bosutinib hydrate 
bowdichione 
BPDZ 711 
brasilicardin A 
brasilinolide A 
brasiliquinone A 
brasiliquinone B 
brasiliquinone C 
brasixanthone B 
brasixanthone C 
brasixanthone D 
brazilein  
brazilin  
Brefeldin A formylate 
brequinar  
brequinar sodium 
Brevidiolide 
brevipolide A 
brevipolide B 
breynceanothanolic acid 
brivanib +  
brivanib alaninate 
brodimoprim 
bromobutide 
bromophycolide A 
bromosuccinic acid 
bromotopsentin 
bruceanol D 
bruceanol E 
bruceanol F 
bruceine D  
bruceolide +  
bryostatin 1  
bryostatin 2  
bufalin  
buformin 
bunodosine 391 
burseran 
busulfan  
butein  
butyl (2S,3S)-3-(trans-4-aminocyclohexyl)-3-(\{[2-(benzylsulfonyl)-4-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-6-yl]carbonyl\}amino)-2-hydroxypropanoate 
Butyl ethyl malonate 
Bz-Arg-OEt 
C-1027 chromophore 
C4-dicarboxylic acid +   
C75 
cabazitaxel  
cabergoline  
cabotegravir 
cabozantinib +   
cabozantinib malate 
cadiyenol 
caerulomycin A 
caerulomycin C 
caerulomycin F 
caerulomycin G 
caerulomycin H 
caerulomycin I 
caerulomycin J 
caerulomycin K 
caerulomycinamide 
caerulomycinonitrile 
cafestol  
calcitriol +   
Calcium propionate  
calicheamicin gamma1(I) 
callophycoic acid A 
callophycoic acid C 
callophycoic acid D 
callophycoic acid E 
callophycoic acid F 
callophycoic acid G 
callophycoic acid H 
callophycol A 
callophycol B 
calotropone 
camonsertib 
camostat  
camostat mesylate 
camptothecin  
CAN-508 
candoxatril 
candoxatrilat +   
canertinib  
cantharidic acid  
capecitabine  
capilliposide B 
capivasertib  
carbetamide 
carbonarone A 
carboplatin  
carboprost 
carboprost tromethamine 
carboxyibuprofen 
Carboxyphosphonopyruvate 
carcinine 
cardivin A 
cardivin B 
cardivin C 
cardivin D 
carfilzomib  
carminomycin +  
carmustine  
carnosic acid  
carnosine +   
caseamemebrol A 
caseamemebrol B 
caseanigrescen A 
caseanigrescen B 
caseanigrescen C 
caseanigrescen D 
Catathelasmol E 
caudatin-3-O-beta-cymaropyranoside 
CBL0137 
CCT-018159 
CCT251545 
CD532 
ceanothic acid 
ceftibuten +   
celastrol  
celebixanthone +  
celesticetin 
cembra-2,7,11-triene-4,6-diol 
cenicriviroc 
centaureidin 
cerberin 
cercosporamide 
ceritinib  
cerulenin  
cetrorelix +   
cetrorelix acetate 
CG-1521 
CGP-42112A  
CGS 15943  
CH5126766 
chaetoglobosin B 
chaetoglobosin D 
chaetoglobosin E 
chaetoglobosin F 
chaetoglobosin G 
chaetoglobosin J 
chaetoglobosin L 
chaetoglobosin Q 
chaetoglobosin T 
chelerythrine  
chenodeoxycholic acid 3-O-(beta-D-glucuronide) 
chetomin  
CHIR-265 
CHIR-98014  
chlorambucil  
chlorendic acid  
chloroquine +   
chlorotrianisene  
chlortetracycline  
chondramide A +  
chondramide B 
chondramide C +  
chondramide D 
chondrochloren A 
chondrochloren B 
chrysin +   
chrysosplenol C 
CHZ868 
cidofovir anhydrous +   
cidofovir dihydrate 
CIGB-300 
ciglitazone  
ciliatamide B 
cimifoetiside A 
cimifoetiside B 
cinaciguat  
cinchocaine +   
ciprofloxacin +   
cirsilineol  
cis-2-Carboxycyclohexyl-acetic acid 
cis-9-nonadecenoic acid 
cisplatin  
Citalopram Oxalate 
citraconic acid  
cladoniamide G 
Cladospolide E 
cladribine  
clavulone II  
clethroidoside C 
clethroidoside D 
clethroidoside F 
clionastatin A 
clionastatin B 
clodronic acid  
clofarabine  
clofibric acid +   
CM-272 
CNDAC +  
cobicistat +   
cobimetinib  
cobimetinib fumarate 
cochinchinone A 
cochinchinoxanthone 
colpol 
columbianadin 
comazaphilone D 
comazaphilone E 
comazaphilone F 
copanlisib +   
copanlisib dihydrochloride 
cordycepin +   
cordycepin triphosphate 
cordyol C 
Coriolopsin A 
cortisol 17-butyrate 
corynoline  
costunolide +   
coumermycin A1  
CP-724714 
crambescidin 800 
crambescidin 826 
crassolide 
crassumolide A 
cratoxyarborenone A 
cratoxyarborenone B 
cratoxyarborenone C 
cratoxyarborenone D 
cratoxyarborenone E 
cratoxyarborenone F 
cratoxylumxanthone C 
cremeomycin 
crenolanib 
crizotinib +   
cromoglycic acid 
cryptolepine  
cryptopleurine 
cucurbitacin E 2-O-beta-D-glucopyranoside 
cucurbitacin I +   
cudraflavone C 
cudratricusxanthone A  
cumingianoside A 
cumingianoside B 
cumingianoside C 
cumingianoside D 
cumingianoside E 
cumingianoside F 
curacozole 
curcumin +   
CX-5461  
Cyathiformine A 
Cyathiformine C 
Cyathiformine D 
cyclazosin +   
cyclobutanedicarboxylic acid +  
cyclodepsipeptide 2 
cycloguanil +  
cyclophosphamide +   
cyclophosphamide hydrate 
cyclosporin A +   
Cylindrolactone A 
cystodytin D +  
cystodytin E +  
cystodytin F 
cystodytin G 
cystodytin H 
cystodytin I 
cystothiazole A 
cytarabine  
cytochalasin D  
cytoglobosin C 
cytoglobosin D 
Cytospolide N 
Cytospolide P 
cytotrienin A 
D-cycloserine +   
D-glucaric acid +  
D-penicillamine +   
dabrafenib +   
dabrafenib mesylate 
dacarbazine +   
dacomitinib  
dactolisib  
Dahliane H 
daidzein +   
daidzein(1-) 
dainic acid A 
daphnoretin 
darifenacin +   
dasatinib (anhydrous) +  
dasatinib monohydrate 
daunorubicin +   
DC 517 
DDM-838 
deacetyltanghinin 
decursinol 
Defencath 
deguelin  
dehydrocostus lactone  
DEL-22379 
delanzomib 
delphinidin +   
delphinidin(1-) +  
Delta(12)-prostaglandin J3 
delta-tocotrienol  
demethoxycurcumin  
demethylzeylasteral 
deoxylimonoic acid D-ring-lactone 
deoxypodophyllotoxin  
dequalinium +   
dequalinium chloride 
desferrioxamine E 
desmethyl loperamide 
devazepide  
dexamethasone +   
dexormaplatin 
dexrazoxane hydrochloride 
dextrofloxacin +   
DH334 
DH334(1+) +  
diallyl disulfide  
diallyl trisulfide  
dianversicoside A 
dianversicoside B 
dianversicoside C 
dianversicoside D 
dianversicoside E 
dianversicoside F 
dianversicoside G 
diarsenic trioxide  
diazepinomicin 
diaziquone  
diazomethane 
dibenzo[b,d]furan-4,6-dicarboxylic acid 
dibenzoylmethane +   
dicarboxylic fatty acid +   
dicerandrol A 
dicerandrol B 
dicerandrol C 
dichotomide III 
dichotomide IV 
dichotomide VI 
didanosine  
Didodecyl 3,3'-thiodipropionate oxide 
Didodecyl thiobispropanoate 
Diethyl 2-(2-furyl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate 
diethylstilbestrol +   
difenpiramide 
diflomotecan 
Dig-Cy5 
Diglycolic acid  
Dihydro-3-(2-octenyl)-2,5-furandione 
dihydrodipicolinic acid +  
dihydrokainic acid 
dihydrolipoamide +   
dihydromotuporamine C 
dihydroxymalonic acid 
dihydroxypteridine +  
dilopholide 
dimethoate  
Dimethyl (3-oxocyclohexyl)malonate 
Dimethyl camphorate 
dimethyl sulfate  
dimethylcarbate 
dimethylmaleic acid 
dimethylmalonic acid 
dimoxystrobin 
dinaciclib  
dinochrome A 
dioscin  
diosgenin +   
diosmetin +   
dioxoaminopyrine 
diphenic acid 
diplotrin B 
disopyramide +   
Disorazol A 
Disorazole H 
Disorazole I 
Disorazole-A2 
Disorazole-B2 
Disorazole-C1 
Disorazole-C2 
Disorazole-D3 
Disorazole-E1 
Disorazole-E2 
Disorazole-F2 
Disorazole-G1 
Disorazole-G2 
Disorazole-G3 
disulfiram  
diuvaretin 
DMH1 
DMH4 
docetaxel anhydrous +  
docetaxel trihydrate 
dolastatin 10 
dolutegravir  
doxazosin +   
doxifluridine  
dromostanolone propionate 
durlobactam 
dutomycin 
E-3810 
E-3810 free base 
ebselen  
edelfosine  
edoxaban 
EG00229 
EI-1511-5 
EI-1625-2 
ekatetrone 
elacestrant 
elaeodendroside B 
elaeodendroside F 
elaeodendroside G 
elaeodendroside T 
elaeodendroside U 
elaeodendroside W 
elaidylphosphocholine 
Elenaic acid 
elephantin 
elesclomol +   
elesclomol-Cu(II) 
elisidepsin 
ellipticine  
elongatol A 
elongatol E 
eltanexor 
emarginatine B 
emarginatine F 
embelin +   
emetine +   
emetine dihydrochloride +  
emetine dihydrochloride hydrate 
emodin +   
emodin(1-) 
enalaprilat (anhydrous) +   
enasidenib  
englerin A 
enol-oxaloacetic acid 
enoxacin  
enrofloxacin  
ent-kaur-16-en-19-oic acid 
entacapone +   
entinostat +   
entrectinib  
enzalutamide  
epi-silvestrol 
epi-tulipinolide 
epothilone A  
epothilone B  
eprosartan +   
erastin  
erdasporine A 
erdasporine B +  
erdasporine C 
ergolide 
ergometrine +  
ergosterol peroxide  
eribulin 
eribulin mesylate 
erlotinib +   
erlotinib hydrochloride  
erybraedin A 
erythro-4-hydroxy-L-glutamic acid 
esculeoside A 
esperamicin A1 
estramustine +   
estrone +   
etanidazole  
ethyl homononactyl homononactate 
Ethyl malonate  
ethyl methanesulfonate  
ethyl nonactyl nonactate 
ethyl trans-caffeate  
ethylisopropylamiloride  
ethylmalonic acid +   
etidronate disodium 
etidronic acid  
etoposide  
etrasimod 
etrasimod arginine 
eucalyptal A 
eucalyptal B 
eucalyptal C 
eudistomin C 
eugeniin 
eugenol +   
eupaheliangolide A 
eupatilin  
eupatolide 
eupatorin  
euphornin L 
eurycomanone  
eurysterol A 
eurysterol A sulfonic acid 
eurysterol B 
eurysterol B sulfonic acid 
Eutypellenoid B 
Eutypellenoid C 
everolimus  
exemestane  
ezetimibe  
F390B 
F390C 
fangchinoline  
fatty acid-taurine conjugate +  
fatty amide +   
fazarabine 
FD-211 
fenaminstrobin 
fenhexamid  
fentanyl +   
fentin chloride  
ferroptocide 
Ferrous fumarate 
ferruginol +   
fertaric acid +  
ficellomycin 
fingolimod +  
fingolimod hydrochloride  
fingolimod phosphate 
FINO2 
firocoxib 
flavokawain B  
flecainide  
floxuridine  
fluazaindolizine 
fludarabine phosphate 
flunisolide  
flunoxaprofen 
fluoxymesterone  
fluprostenol +   
flutamide  
fluticasone propionate 
foretinib 
formamide +   
formestane  
formycin A +  
formyl decanoate 
formyl dodecanoate 
formyl hexanoate 
formyl octadecanoate 
formyl octanoate 
fostriecin  
fotemustine  
FR901463 
FR901464 
FR901465 
fruquintinib 
fruticoside A 
fucoidan  
fulvestrant  
furan-2,5-dicarboxylic acid 
fusarithioamide A 
Fusaspirol A 
Fusaspirol B 
fuzanin D 
FX1 
G-573 
gallic acid +   
gallium nitrate  
gamma-CEHC beta-glucuronide 
gamma-Glu-Gln 
gamma-Glu-Glu 
gamma-Glu-Met 
gamma-Glu-Tyr 
gamma-glutamyl-Se-methylselenocysteine 
gamma-mangostin 
gamma-tocotrienol 
GANT61 
gartanin 
gartisertib 
gastrin-17  
gaudichaudiic acid F 
gaudichaudiic acid G 
gaudichaudiic acid H 
gaudichaudiic acid I 
GCB 
GDC-0326 
GDC-0623 
GDC-0879 
gedunin +   
gefitinib +   
geldanamycin +   
gelomulide K 
gelomulide M 
gemcitabine +   
gemcitabine hydrochloride 
gemini-0072 
gemini-0097 
Genipinic acid 
genistein +   
gentisyl alcohol 
gepinacin 
ghrelin  
GI254023X 
gibberellin A110 
gibberellin A12 +  
gibberellin A14 +  
gibberellin A15 (diacid form) 
gibberellin A18 
gibberellin A19 
gibberellin A24 
gibberellin A36 
gibberellin A44 diacid 
gibberellin A51-catabolite 
gibberellin A53 +  
gibberellin A8-catabolite 
gibberosin K 
gibberosin L 
gigantetronenin 
gigantrionenin 
gilteritinib 
gilvusmycin 
gingerol  
ginkgetin  
ginkgolide B  
ginsenoside C-K  
ginsenoside F2  
ginsenoside Mc 
ginsenoside Mx 
ginsenoside Rd +   
ginsenoside Re  
ginsenoside Rf  
givinostat 
givinostat hydrochloride +  
givinostat hydrochloride monohydrate 
glasdegib 
glaucarubinone 
glionitrin A 
gliotoxin  
glipizide  
globostellatic acid A 
globostellatic acid B 
globostellatic acid C 
globostellatic acid D 
globosumone A 
globosumone B 
globosuxanthone A 
glochierioside A 
glochierioside B 
Glu-Ala-Trp 
Glu-Arg 
Glu-Arg-Gly 
Glu-Arg-Gly-Met 
Glu-Arg-Gly-Met-Thr 
Glu-Asp 
Glu-Asp-Arg 
Glu-Asp-Asp 
Glu-Asp-Gln-Gln 
Glu-Asp-Ile 
Glu-Cys 
Glu-Cys-Cys 
Glu-Gln 
Glu-Glu +  
Glu-Glu-Arg 
Glu-Glu-Gln 
Glu-Glu-Gln-Trp 
Glu-Glu-Glu 
Glu-Glu-Gly 
Glu-Glu-Ile 
Glu-Glu-Leu 
Glu-Glu-Lys 
Glu-Gly 
Glu-Gly-Arg-chloromethylketone 
Glu-Gly-Phe 
Glu-Gly-Trp 
Glu-Ile 
Glu-Ile-Phe 
Glu-Ile-Ser 
Glu-Ile-Val 
Glu-Leu 
Glu-Leu-Phe-Ala 
Glu-Lys 
Glu-Lys-Trp-Ala 
Glu-Met 
Glu-Phe-Gln-Gln 
Glu-Phe-Val 
Glu-Pro 
Glu-Ser 
Glu-Thr 
Glu-Thr-Thr-Tyr 
Glu-Trp 
Glu-Trp-Asp-Arg 
Glu-Tyr 
Glu-Val-Thr-Leu-Tyr peptide residue 
Glu-Val-Val 
glutamine hydroxamate 
Glutinic acid 
Glycinoeclepin A 
glycyrol  
gnidilatimonoein 
gout suppressant +   
granaticin 
granisetron  
grassypeptolide 
griffithane A 
griffithane B 
griffithane D 
GSK1059615 
GSK126 
GSK2656157  
GSK2879552 
GSK343  
GSK461364 
GSK690693  
guanazole 
gummiferaoside A 
gummiferaoside B 
gummiferaoside C 
GW843682X 
GYS32661  
HA15 
hadacidin 
hapten OTAb 
hapten OTAd 
hapten OTAe 
hapten OTAf 
hawkinsin 
HC toxin  
hedychilactone D 
helenalin  
heliangin 
helioxanthin  
helveticoside  
hematoporphyrin 
heme d cis-diol +  
heme d trans-diol 
heptenedioic acid +  
heptylmalonic acid 
herbacetin  
hesperetin +   
hexenedioic acid +  
HG-10-102-01 
HG-9-91-01 
himastatin 
hinokiflavone  
hippeastrine 
hispidulin  
histrelin +  
histrelin acetate 
HMN-214 
holomycin +  
holothurin A3 
holothurin A4 
Homononactyl homononactate 
horminone +  
hydrazinocurcumin 
Hydroberkeleyone B 
hydrocortamate +  
hydroxychloroquine  
Hydroxyglutarate 
hydroxysafflor yellow A  
hydroxytyrosol +   
hydroxyurea  
hydroxyzine +   
hygrolidin 
hyocholic acid 6-O-(beta-D-glucuronide) 
hyodeoxycholic acid 6-O-(beta-D-glucuronide) 
hyperforin  
hyperxanthone C 
hyperxanthone E 
hypocrellin D 
hypothemycin 
I-BET151 
ibrutinib  
IC202A 
IC202B 
IC202C 
icariside II  
ICI-164384  
iclaprim 
ICRF-193 
idelalisib  
ifosfamide  
iFSP1 
igalan 
ikarugamycin +  
ilomastat  
imatinib +   
imatinib methanesulfonate  
IMID-2 
imidaprilat  
imiquimod  
indanomycin 
indirubin  
indisulam 
indole-3-acetamide  
indole-3-methanol +   
indolecarboxamide +   
INDY +  
ingenol mebutate 
irilone +   
irinotecan  
irinotecan hydrochloride (anhydrous) +  
irinotecan hydrochloride hydrate 
iron methylchlorin 
isariotin F 
isobrucein A 
isoceanothic acid 
isochamuvaritin 
isoflavipucine 
isoginkgetin 
isoglutamic acid 
isoiguesterin 
isoliquiritigenin +   
isoliquiritin 
Isoniazid alpha-ketoglutaric acid 
isonocardicin A 
isonocardicin C 
isoorientin +   
isostrychnine 
Isoterrelumamide A 
isotianil 
isotretinoin  
isowigtheone hydrate 
isoxicam 
itaconic acid +  
ivacaftor +   
ivosidenib 
ixabepilone 
ixazomib +   
ixazomib citrate 
ixerochinolide 
jacarelhyperol A 
jaceosidin  
jadomycin B 
jaspamide  
jaspamide B 
jaspamide C 
jaspamide D 
jaspamide E 
jaspamide F 
jaspamide G 
jaspamide H 
jaspamide J 
jaspamide K 
jaspamide L 
jaspamide M 
jaspamide N 
jaspamide O 
jaspamide P 
jasplakinolide D 
jasplakinolide Q 
jasplakinolide R1 
jerantinine A +  
jerantinine B 
jerantinine C +  
jerantinine D 
jerantinine E 
jerantinine F 
jineol 
JM335 
JP-8g 
JQ1 
JTE-013  
JTE-607 dihydrochloride 
JTE-607 free base 
juglanin A 
juglanin B 
JWH-133 
kadlongilactone A 
kadlongilactone B 
kaempferol 3,7-di-O-alpha-L-rhamnoside 
kaempferol 3-O-(5-O-acetyl-alpha-D-apiofuranosyl)-7-O-alpha-L-rhamnopyranoside 
kaempferol 7-O-(2,3-di-E-p-coumaroyl-alpha-L-rhamnopyranoside) 
kaempferol 7-O-(2-E-p-coumaroyl-alpha-L-rhamnopyranoside) 
kahweol  
kainic acid +   
kalimantacin A 
kalimantacin C 
kansuiphorin A 
kansuiphorin B 
keratolytic drug +   
Ki11502 
kidjoranin-3-O-alpha-diginopyranosyl-(1->4)-beta-cymaropyranoside 
kidjoranin-3-O-beta-digitoxopyranoside 
kievitone +  
kinanthraquinone 
kitastatin 1 
knipholone +  
koshikamide A2 
KP1019 
KP1339 
KRIBB11 
Ku-0063794  
KU-55933 
KU-60019 
kweichowenol B 
L-2-amino-4-methoxy-trans-but-3-enoic acid 
L-2-Aminoadipate adenylate 
L-685,458 +  
L-744,832 
L-778,123 (free base) +  
L-778,123 hydrochloride 
L-alpha-amino-gamma-oxalylaminobutyric acid 
L-alpha-glutamyl group 
L-beta-ethynylserine 
L-beta-ethynylserine zwitterion 
L-canaline 
L-ethionine +   
L-gamma-glutamyl group +  
L-gamma-glutamyl-L-cysteine +   
L-glutamic acid derivative +   
L-glutamic acid residue 
L-glutamic acid-d5 
L-glutamo group 
L-glutamoyl group 
lactamide 
lanperisone 
lanperisone hydrochloride 
lansic acid +  
lanthanum trichloride  
lanthionine ketimine 
lapachol  
lapatinib  
lasofoxifene  
laulimalide 
laurebiphenyl 
Lauroyl peroxide 
LB42908 
LCL161  
LDC4297 
LDN-212854 
leachianone A 
leflunomide  
lehualide F 
lehualide G 
lehualide H 
lehualide I 
lejimalide A 
lejimalide B 
lenalidomide  
lentinan  
lenvatinib  
lenvatinib mesylate 
letrozole  
leucopterin (enol form) 
leucospiroside A 
leuprolide +   
leuprolide acetate 
levamisole +   
levofloxacin +   
LFM-A13 
lidocaine +   
lificiguat 
ligstroside 
limonoic acid 
lincomycin +   
linifanib 
linkable pelitinib analogue 
linkable staurosporine analogue 
linkable sunitinib analogue 
linsitinib 
lipoamide +   
Lipoyllysine 
liriodenine 
lissoclibadin 1 
lissoclibadin 2 
lissoclibadin 3 
lisuride +   
lithocholic acid 3-O-(beta-D-glucuronide) 
LLP-3 
lobaplatin  
lomustine  
lonafarnib  
lonazolac 
lonazolac calcium 
longicalycinin A 
longirostrerone A 
longirostrerone B 
longirostrerone C 
longirostrerone D 
lonidamine +   
Lonsurf 
loperamide  
lorlatinib  
lornoxicam  
lovastatin +   
LRRK2-IN-1 
LTX-109 
lucanthone +   
lucensimycin E 
lucialdehyde B 
lucialdehyde C 
lucidenic acid N  
luminespib 
lupulone  
luteolin +   
luteolin-7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide] 
luzonial A 
luzonial B 
luzonidial B 
LY-2090314 
LY-2157299  
LY-221481 
LY3009120 
LY404039 
lychnostatin 1 
lychnostatin 2 
lymphostin 
lyratol C 
lyratol D 
Lys-Glu-Glu 
Lys-Glu-Thr 
Lys-Tyr-Glu 
lysergic acid diethylamide +   
lysikokianoside 1 
maackiaflavanone A 
maackiaflavanone B 
maackiapterocarpan A 
macaflavanone G 
macaranone A 
macluraxanthone B 
macluraxanthone C 
madecassoside  
manassantin A 
manassantin B 
mandelamide +  
manool 
manumycin A  
manzamine A +  
maoecrystal Z 
maraviroc  
marimastat  
marinacarboline B 
marineosin A 
marineosin B 
masitinib  
maslinic acid +   
masoprocol  
mature microcin B18 zwitterion +  
maytansine +  
maytenfolone A 
MCB-613 
mechlorethamine hydrochloride 
meclofenamic acid  
medroxyprogesterone acetate  
mefenamic acid  
mefuparib 
mefuparib hydrochloride 
megathyrin A 
megestrol +   
megestrol acetate  
melittin  
melophlin P 
melophlin Q 
melophlin R 
melophlin S 
meloxicam  
melphalan  
menadione +   
mercaptopurine +   
mertansine 
mesaconic acid +  
meso-tetrakis(N-methyl-4-pyridyl)porphine tetrakis(p-toluenesulfonate) 
meso-tetrakis(N-methyl-4-pyridyl)porphine(4+) +   
Met-enkephalin 
metachromin S 
metachromin T 
metamizole 
metamizole sodium  
metholone +  
methotrexate  
A pteridine that has formula C20H22N8O5.
methotrexate disodium 
methoxsalen +   
methoxyacetic acid  
methoxyiminoacetamide strobilurin antifungal agent +  
methyl (indol-3-yl)acetate 
methyl 5-aminolevulinate +  
methyl 5-aminolevulinate hydrochloride 
methyl acetyl botryenaloate 
methyl gamma-linolenate 
Methyl violet 2B 
Methyl violet 2B free base 
methyl-L-glutamic acid +  
methylseleninic acid  
methylselenol 
methylstat 
methyltestosterone  
methysergide  
metominostrobin 
metyrapone  
miboplatin 
michaolide A 
michaolide B 
michaolide C 
michaolide D 
michaolide E 
michaolide F 
michaolide G 
michaolide H 
michaolide I 
michaolide J 
michaolide K 
miconazole +   
miconazole nitrate 
microcin B17 
microclavatin 
midazolam +   
midazolam hydrochloride 
midostaurin  
mifepristone  
migrastatin 
miltefosine  
minabeolide 1 
minheryin G 
minquartynoic acid 
mirabegron  
misoprostol  
mitchellene D 
mithramycin  
mitoguazone 
mitoguazone hydrochloride +  
mitoguazone hydrochloride hydrate 
mitomycin A 
mitomycin B 
mitomycin C +   
mitoxantrone +   
mitoxantrone dihydrochloride 
MK 351A 
MK-2461 
MK-8353 
ML-210 
ML240 
MMP-9-IN-1 
mocetinostat  
mogrol +  
molibresib  
mollicellin B 
mollicellin C 
mollicellin E 
mollicellin F 
mollicellin H 
mollicellin J 
mollicellin K 
mollicellin L 
mollicellin M 
mollicellin N 
momelotinib 
mometasone +   
monascin  
monascorubrin 
monastrol 
mono(3-carboxypropyl) phthalate 
mono(6-carboxy-2-methylheptyl) phthalate 
mono(7-carboxy-2-methyloctyl) phthalate 
mono[2-(carboxymethyl)hexyl] phthalate 
monobenzone  
monocrotophos  
monodictyochromone A 
monodictyochromone B 
monodictysin B 
monodictysin C 
Monoethyl malonic acid 
morellic acid +  
morellin +  
morin  
moromycin A 
moromycin B 
morusin  
motixafortide +  
motixafortide acetate 
MP-A08 
MST-312  
MTIC 
mucronulatol 
mycobilin a 
mycobilin b 
mycophenolate mofetil  
mycophenolate sodium 
mycophenolic acid +   
myo-inositol hexakisphosphate  
myriaporone 3 
Myricanone 
myricetin +   
myriocin  
myrsinoic acid A 
myxothiazol  
N(1),N(12)-diethylspermine  
N(2)-([biphenyl]-4-ylsulfonyl)-N-hydroxy-N(2)-isopropoxy-D-valinamide 
N(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid 
N(6)-(3,5-dioxo-1,2-diphenylpyrazolidin-4-ylacetyl)-6-aminohexanoic acid 
N(6)-(Delta(2)-isopentenyl)adenosine +  
N(6)-carbamoylmethyl-2'-deoxyadenosine 
N(6)-carbamoylmethyl-2'-deoxyadenosine 5'-monophosphate 
N(6)-carbamoylmethyladenine 
N(6)-lactobionoylhexane-1,6-diamine 
N,N-diethyl-2-(naphthalen-1-yloxy)propanamide +   
N,N-diethyl-3-hydroxybut-2-enamide +   
N,N-diethyl-m-toluamide  
N,N-diethylcyanoacetamide 
N,N-dimethylacetamide  
N-(2,6-dimethylphenyl)-2-\{4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl\}acetamide +   
N-(2-[(2-aminoethyl)(methyl)amino]-5-\{[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino\}phenyl)acetamide 
N-(2-chlorobenzyl)-1-(2,5-dimethylphenyl)benzimidazole-5-carboxamide 
N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide +  
N-(2-methoxyethyl)-4-\{[6-(pyridin-4-yl)quinazolin-2-yl]amino\}benzamide 
N-(2-phosphonoethyl)cholamide 
N-(3-acetamidopropyl)-4-aminobutanal 
N-(4-aminobenzoyl)-L-glutamic acid 
N-(4-aminobutyl)dabigatranamide 
N-(5-\{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl\}-1,3-thiazol-2-yl)piperidine-4-carboxamide 
N-(6-aminohexanoyl)-6-aminohexanoic acid 
N-(\{4'-[(1-benzofuran-2-ylcarbonyl)amino]biphenyl-4-yl\}sulfonyl)-L-valine 
N-(p-nitrophenyl)-beta-alaninamide 
N-(tert-butyldimethylsilyl)-N-methyltrifluoroacetamide 
N-[(1S)-1-(1,3-benzothiazol-2-ylcarbonyl)-4-carbamimidamidobutyl]cyclopentanecarboxamide 
N-[(1S)-1-\{[(3S,4S,7R)-3-hydroxy-7-methyl-1-(pyridin-2-ylsulfonyl)-2,3,4,7-tetrahydro-1H-azepin-4-yl]carbamoyl\}-3-methylbutyl]-1-benzofuran-2-carboxamide 
N-[(1S)-3-methyl-1-(\{(4S)-3-oxo-1-[(3-pyridin-2-ylphenyl)acetyl]azepan-4-yl\}carbamoyl)butyl]-5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxamide 
N-[(1S)-3-methyl-1-\{[(4S)-3-oxo-1-(pyridin-2-ylsulfonyl)azepan-4-yl]carbamoyl\}butyl]-1-benzofuran-2-carboxamide 
N-[(2R,3S)-1-((2S)-2-\{[(cyclopentylamino)carbonyl]amino\}-3-methylbutanoyl)-2-(1-formylcyclobutan-1-yl)pyrrolidin-3-yl]cyclopropanecarboxamide 
N-[(5-acetyl-3-thienyl)methyl]-2-chloroacetamide semicarbazone 
N-[(5R)-5-(3,4-dichlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]thiophene-2-sulfonamide 
N-[1-(aminomethyl)cyclopropyl]-3-(morpholin-4-ylsulfonyl)-N(2)-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-L-alaninamide 
N-[2-hydroxy-2-(indol-3-yl)-2-(methylthio)ethyl]indole-3-carboxamide 
N-[4,5-bis(4-hydroxyphenyl)-1,3-thiazol-2-yl]hexanamide 
N-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]acetamide 
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide +   
N-[5-(1-naphthylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide 
N-[6-(acetylamino)hexyl]-3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-6-carboxamide 
N-\{1-amino-6-[(5-nitro-2-furoyl)amino]-1-oxohexan-2-yl\}-23-(indol-3-yl)-20-oxo-4,7,10,13,16-pentaoxa-19-azatricosan-1-amide 
N-\{1-amino-6-[(5-nitro-2-furoyl)amino]-1-oxohexan-2-yl\}-26-(indol-3-yl)-23-oxo-4,7,10,13,16,19-hexaoxa-22-azahexacosan-1-amide 
N-\{1-amino-6-[(5-nitro-2-furoyl)amino]-1-oxohexan-2-yl\}-32-(indol-3-yl)-29-oxo-4,7,10,13,16,19,22,25-octaoxa-28-azadotriacontan-1-amide 
N-\{1-amino-6-[(5-nitro-2-furoyl)amino]-1-oxohexan-2-yl\}-80-(indol-3-yl)-77-oxo-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55,58,61,64,67,70,73-tetracosaoxa-76-azaoctacontan-1-amide 
N-\{2'-[(4-fluorophenyl)amino]-4,4'-bipyridin-2-yl\}-4-methoxycyclohexanecarboxamide 
N-\{2-[6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]ethyl\}acetamide 
N-\{3-[(4-\{[3-(trifluoromethyl)phenyl]amino\}pyrimidin-2-yl)amino]phenyl\}cyclopropanecarboxamide 
N-\{4-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl\}-2,2-diphenylacetamide 
N-\{4-[(3-bromophenyl)amino]quinazolin-6-yl\}but-2-ynamide 
N-\{4-[4-(4-methylpiperazin-1-yl)-6-(5-methyl-2H-pyrazol-3-ylamino)pyrimidin-2-ylsulfanyl]phenyl\}cyclopropanecarboxamide 
N-\{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl\}-2-hydroxy-3,5-diiodobenzamide +   
N-\{[(3S,5S)-5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]methyl\}-1,3-thiazole-4-carboxamide 
N-acetyl-L-glutamic acid 
N-acetylethanolamine 
N-acetylneuraminamide +  
N-acyl homoserine lactone +   
N-acyl-aspartic acid +   
N-acylphosphatidylethanolamine +  
N-amidinoaspartic acid +  
N-benzyl-2-(2,6-dimethylphenoxy)-N-[((3R,4S)-4-\{[isobutyl(phenylsulfonyl)amino]methyl\}pyrrolidin-3-yl)methyl]acetamide 
N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide +  
N-benzyl-N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide 
N-butyl-N(2)-(2-thienylacetyl)-L-cysteinamide 
N-butyl-N(2)-(2-thienylacetyl)-L-serinamide 
N-butyl-N(2)-[(2Z)-2-(2-furyl)-2-(methoxyimino)acetyl]-3,3-dimethoxyalaninamide 
N-butyl-N(2)-[(2Z)-2-(2-furyl)-2-(methoxyimino)acetyl]-L-cysteinamide 
N-butyl-N(2)-[(2Z)-2-(2-furyl)-2-(methoxyimino)acetyl]-L-serinamide 
N-butyl-N(2)-[(R)-2-hydroxy-2-phenylacetyl]-L-cysteinamide 
N-butyl-N(2)-[(R)-2-hydroxy-2-phenylacetyl]-L-serinamide 
N-carboxy-beta-alanine 
N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide 
N-desmethylenzalutamide 
N-ethyl-5'-carboxamidoadenosine  
N-ethylphenylacetamide 
N-formimidoyl-L-glutamic acid 
N-formylisoglutamic acid 
N-hydroxyguanidine 
N-malonyltryptophan 
N-methyl-2-sulfanylacetamide +   
N-methyl-N-(trimethylsilyl)trifluoroacetamide 
N-methylacetamide 
N-methylfentanyl 
N-octylhomovanillamide 
N-oleoyltaurine 
N-palmitoyl dopamine  
N-palmitoyl-S-[2,3-bis(palmitoyloxy)propyl]-Cys-Ser-Lys-Lys-Lys-Lys  
N-purin-6-oyl-epsilon-aminocaproic acid 
N-purin-6-oylglycine 
nalidixic acid  
naphthalene-2,6-dicarboxylic acid 
naphthazarin  
naringin  
nataloe-emodin +  
navitoclax  
nedocromil  
nelarabine 
nelfinavir  
nelfinavir mesylate 
neobavaisoflavone +   
neocarzinostatin chromophore 
neohesperidin 
neosartoricin 
nepafenac 
neratinib  
netupitant +  
nidulalin A 
Niduloic acid 
nigerapyrone B 
nigerapyrone D 
nigerapyrone E 
nigranoic acid 
nilotinib  
nilutamide  
nimustine  
nimustine hydrochloride 
nintedanib  
nintedanib esylate 
niraparib  
nirogacestat  
nirogacestat dihydrobromide 
nitensidine E 
nitrosulindac 
NK154183A 
NK154183B 
NNC 55-0396 (free base) +  
NNC 55-0396 dihydrochloride 
nobiletin  
nocardicin A 
nocardicin C 
nocodazole  
nogalamycin 
nomilin  
non-steroidal anti-inflammatory drug +   
nonanedioic acid +   
Nonate 
norathyriol +   
norfentanyl 
norfloxacin  
norophthalmic acid 
nortriptyline  
novobiocin  
NS-398  
numidargistat 
Nutlin +   
nygerone B +  
O-(2-aminoethyl)-L-serine 
O-(chloroacetylcarbamoyl)fumagillol  
O-propanoylcarnitine +  
obochalcolactone 
obolactone 
obyanamide 
ochratoxin A +   
ochrocarpin A 
ochrocarpin B 
ochrocarpin C 
ochrocarpin D 
ochrocarpin E 
ochrocarpin F 
ochrocarpin G 
ochrocarpinone A 
ochrocarpinone B 
octenedioic acid +  
ofloxacin  
olaparib  
oleanolic acid 3-O-[O-beta-D-glucopyranosyl-(1->4)-O-beta-D-glucopyranosyl-(1->3)-O-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranoside] 
oleocanthal 
oleuropein +   
oligomycin A  
oligomycin D 
olsalazine  
oltipraz  
omacetaxine mepesuccinate  
omaveloxolone  
omipalisib  
onalespib 
oncrasin-1  
ophiobolin C 
orantinib  
orbiculin A 
orbiculin E 
orbiculin F 
orbiculin G +  
oridonin  
ormaplatin 
oroxylin A +   
oroxylin A(1-) 
orteronel 
orysastrobin 
Oryzalic acid B 
Oryzoxymycin 
osimertinib  
osimertinib mesylate 
ospemifene  
ossamycin 
OSU-03012  
oviedomycin 
Oxalic acid dibutyl ester 
Oxalic acid, heptyl propyl ester 
Oxalic acid, hexyl neopentyl ester 
Oxalic acid, isobutyl neopentyl ester 
Oxalic acid-guanidine 
oxaline 
oxaliplatin +   
oxo dicarboxylic acid +   
oxybenzone  
oxypeucedanin hydrate acetonide 
oxyphenbutazone +   
oxyphenbutazone hydrate 
oxythiamine chloride +  
oxythiamine chloride hydrochloride 
oxythiamine(1+) +  
p-coutaric acid +  
p-fluoro nygerone B 
PABA/NO 
pachyaximine A 
paclitaxel +   
pacritinib 
pacritinib citrate 
palau'amide 
palbociclib  
Pallidopenilline B 
pamapimod 
pamoic acid  
pannarin 
panobinostat  
panobinostat lactate 
pantothenol 
papuamide B 
paraminabeolide A 
parbendazole  
pasireotide  
pasireotide aspartate 
pateamine 
pazopanib  
pazopanib hydrochloride 
PB28 
PD 0325901  
PD-166866 +   
PD158780 
PD173074  
pectolinarin 
pederin 
pefloxacin +   
pelabresib 
pelitinib +  
peloruside A 
pemetrexed  
pemetrexed disodium +  
pemetrexed disodium heptahydrate 
penillic acid +  
pentanamide +  
pentenedioic acid +  
pentostatin 
peonidin +   
peonidin chloride  
Perazine dimalonate 
perillic acid +   
perindoprilat 
Pestalotiopamide E 
pethoxamide 
pevonedistat  
pexidartinib  
PF-00477736  
PF-3758309  
PF-573228 
PHA-533533 
PHA-665752  
phantomolin 
phaseolotoxin 
phenanthridone  
phenazine-1,6-dicarboxylic acid 
phenazine-1-carboxamide 
phenethyl caffeate  
phenethyl isothiocyanate +   
phenformin  
phenylacetylglycine +   
phenylarsine oxide  
phenylbutazone +   
phleomycin 
phleomycin D1 +  
phloretin +   
phomacin A 
phomacin B 
phomacin C 
phomoxanthone A 
phomoxanthone B 
phorbol 13-acetate 12-myristate  
physalin B 
physalin D 
physalin F 
physcion +   
PI-103 
piceatannol +  
piclamilast  
picropodophyllotoxin  
pierreione A 
pierreione B 
Piltunine B 
pimasertib 
pinocembrin +   
pipamperone 
pipemidic acid  
piperazinecarboxamide +   
piperidinecarboxamide +   
pipobroman 
pirazofurin 
piromidic acid 
piroxicam +   
pirtobrutinib 
PJ34  
PJ34 hydrochloride 
PK-11195  
platencin +  
platencin A1 +  
platencin A2 +  
platencin A3 +  
platensimycin +  
platensimycin A1 +  
platensimycin A2 methyl ester 
platensimycin A3 methyl ester 
platensimycin A4 methyl ester 
platensimycin A5 methyl ester 
platensimycin B2 
platensimycin B3 
platensimycin B4 +  
platensimycin B4 methyl ester 
platensimycin methyl ester 
platensin A4 
plaunotol  
pleosporone 
plerixafor  
plinabulin 
plitidepsin  
PLS-123 
plumbagin  
PLX-4720  
PM-94128 
podophyllotoxin +   
polyhexamethylene biguanide hydrochloride 
polyketomycin 
polyunsaturated dicarboxylic acid +   
pomalidomide  
ponatinib  
ponatinib hydrochloride 
porfimer 
porfimer sodium 
poricoic acid A 
poricoic acid C 
poricoic acid G 
poricoic acid H 
porphobilinogen  
poziotinib 
PP121 
pracinostat 
pradimicin +  
pralatrexate 
praziquantel 
prazosin +   
prednisolone +   
prednisolone phosphate 
prednisone +   
prenylcandidusin A 
prenylcandidusin B 
prenylcandidusin C 
prenylterphenyllin 
prenylterphenyllin A 
prenylterphenyllin B 
prenylterphenyllin C 
pretetramide +  
prilocaine +   
prinomastat  
prinomastat hydrochloride 
Pro-Glu-Ile 
procarbazine  
procarbazine hydrochloride 
procyanidin B4 +  
prodigiosin  
proguanil  
proINDY 
promegestone  
propachlor  
Propanedioic acid, (methoxyimino)-, dimethyl ester 
propionamide +   
Propyleneglycol diacetate 
prostaglandin D2 ethanolamide 
prostaglandin J3 +  
protopanaxadiol +   
PS-1145 
psora 4 
psorospermin  
pteridine 
pteridine-2,4,6,7-tetrol 
pterins +   
pterostilbene  
purine-6-caboxamide 
purine-6-thiol  
puromycin +   
Putidolumazine 
PYR-41 +  
pyrandicarboxylic acid +  
pyraziflumid 
pyrazinecarboxamide +   
pyridinedicarboxylic acid +   
pyridoindolecarboxamide +  
pyridoxatin 
pyrimethamine  
pyrimidinecarboxamide +   
pyrimidinedicarboxylic acid +  
pyrrolecarboxamide +   
pyrroledicarboxylic acid +  
pyrrolidine dithiocarbamate  
pyrrolidinecarboxamide +   
pyrrolidinedicarboxylic acid +  
pyrvinium  
quassimarin 
quercetin +   
quercetin 3,4'-dimethyl ether 
quercetin 3-O-beta-D-glucopyranoside  
quercetin 4'-O-beta-D-glucopyranoside  
quinaprilat  
quinolinedicarboxylic acid 
quisinostat 
quizartinib  
QX-314 
rac-crizotinib 
ramiprilat  
ravidomycin 
rediocide G 
reduced 6-(hydroxymethyl)-8-(1-D-ribityl)lumazine 
regorafenib +   
regorafenib hydrate 
remifentanil +   
repotrectinib 
RepSox 
resminostat 
resorcinol monoacetate 
respirantin 
retaspimycin 
retaspimycin hydrochloride 
reumycin +  
reversine 
rhamnacene +  
rhinacanthin C 
rhizoxin 
rhosin 
ribavirin +   
ribavirin 5'-diphosphate 
ribavirin 5'-monophosphate 
ribavirin 5'-triphosphate 
ricolinostat  
ridaforolimus  
rifampicin +   
rigosertib 
rigosertib sodium 
ritlecitinib 
ritlecitinib tosylate 
rivaroxaban  
riviciclib 
Ro 48-8071 
Ro 48-8071 fumarate 
Ro 5-3335 
robustaflavone +  
robustaflavone 7,4',7''-trimethyl ether 
rocaglamide  
roducitabine 
rohitukine 
romidepsin  
rostratin A 
rostratin B 
rostratin C 
rostratin D 
rotenone  
rottlerin  
rotundifolioside A 
rotundifolioside H 
rotundifolioside I 
rotundifolioside J 
rotundifuran 
Roubetaoellatide 
RSL3 
RSL5 
RU 58668  
rubiarbonol G 
rubiarbonone E 19-acetate 
rubiarboside G 28-acetate 
rubimaillin  
rubitecan  
rubiyunnanol A 
rubiyunnanol B 
rubraxanthone 
rucaparib  
ruxolitinib +   
ruxolitinib phosphate 
ryuvidine 
S-allylcysteine  
S-substituted dihydrolipoamide +  
saintopin 
salicylamide +   
salinosporamide A 
salsalate  
salvianolic acid B  
salvigenin  
salvileucalin B 
samaderine B 
samaderine C 
samaderine E 
samaderine X 
samaderine Y 
samaderine Z 
sapacitabine 
sapanisertib  
saracatinib  
satraplatin  
savolitinib 
saxagliptin +   
SB225002 
SC-58125  
SC560 
scalusamide A 
SCH-351591  
SCH51344 
SCH772984  
schiprolactone A 
schizolaenone A 
schizolaenone B 
schweinfurthin G 
schweinfurthin H 
sciscllascilloside E-1 
scoparone  
scutebarbatine C 
scutebarbatine D 
scutebarbatine E 
scutebarbatine F 
scutebarbatine G 
scutellarin  
scutianthraquinone A 
scutianthraquinone B 
scutianthraquinone C 
scytalidamide A 
scytalidamide B 
Se-methyl-L-selenocysteine +   
Se-methylselenocysteine +   
secoaggregatalactone A 
selexipag 
selinexor  
selumetinib  
semaxanib  
semicarbazide +   
semustine  
sepantronium bromide 
sesterstatin 1 
sesterstatin 2 
sesterstatin 3 
Sg17-1-4 
Shikimeran A 
shinorine 
sibiromycin 
silibinin  
silthiofam 
silvestrol 
simalikalactone D 
sinapoyltartronic acid 
sinularolide B 
sinularolide C 
sinularolide D 
sinularolide E 
sirolimus +   
SIS3 free base 
sitoindoside IX 
SKF-96365 hydrochloride  
SM-164  
SMIP004 
SN-38 +   
soblidotin 
sodium 2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoate 
sodium arsenite  
sodium aurothiomalate  
sodium gallate 
sodium globostellatate A 
sodium globostellatate B 
sodium globostellatate C 
sodium globostellatate D 
sodium meclofenamate monohydrate 
sodium methoxyacetate 
sodium stibogluconate  
solanine 
solasodine(1+) 
somocystinamide A 
sonidegib +   
sonidegib phosphate 
sophoraflavanone A 
sophoraflavanone L 
sorafenib +   
sotorasib  
sotrastaurin  
Spencer acid 
spermine +   
spiculoic acid A 
spiraprilat +   
Spirostaphylotrichin M diacetat (4R*,5S) 
spiruchostatin B  
spongotine A 
SQ 26,992 
SR11302 
SR9243  
stachsterol 
stattic  
stavudine  
steffimycin D 
stevastelin B 
stevastelin B3 
steviol +   
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withanolide D +  
wogonin +   
wortmannin +   
wrightiamine A 
WZ4002 
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xanthohumol  
xanthomicrol 
xanthopterin-B2 
xestospongin C  
XL147  
XL413 
XL765  
XPO1-IN-1 
xylocarpin J 
Y-27632  
yadanziolide B 
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yahyaxanthone 
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zalcitabine  
zarzissine 
zhankuic acid A +  
zhankuic acid B 
zhankuic acid C 
zibotentan 
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zilucoplan 
zilucoplan sodium 
ZM447439 
ZSTK-474 

Synonyms
Exact Synonyms: N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-L-glutamic acid
Related Synonyms: 4-amino-10-methylfolic acid ;   4-amino-N(10)-methylpteroylglutamic acid ;   Emtexate ;   Formula=C20H22N8O5 ;   InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 ;   InChIKey=FBOZXECLQNJBKD-ZDUSSCGKSA-N ;   Ledertrexate ;   MTX ;   N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamic acid ;   Rheumatrex ;   SMILES=CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O ;   Trexall ;   methotrexatum ;   metotrexato
Alternate IDs: CHEBI:44183 ;   CHEBI:6837
Xrefs: Beilstein:70669 ;   CAS:59-05-2 ;   DrugBank:DB00563 ;   Drug_Central:1751 ;   KEGG:C01937 ;   KEGG:D00142 ;   LINCS:LSM-5690
Xref Mesh: MESH:D008727
Xrefs: PDBeChem:MTX ;   Patent:US2512572 ;   Wikipedia:Methotrexate
Cyclic Relationships: is_conjugate_acid_of CHEBI:50680

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