MonarchInit/C3PO huggingface dataset:
Compound: 2-[(6-chloro-2-oxo-4-propyl-1-benzopyran-7-yl)oxy]-N,N-dimethylacetamide
SMILES: CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)N(C)C
Compound: 7-(5-bromo-2-fluorophenyl)-5-(4-bromophenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILES: C1=CC(=CC=C1C2=CC(N3C(=N2)N=CN3)C4=C(C=CC(=C4)Br)F)Br
Compound: 4-[[[1-oxo-2-[(2-oxo-3-phenyl-1-benzopyran-7-yl)oxy]propyl]amino]methyl]-1-cyclohexanecarboxylic acid
SMILES: CC(C(=O)NCC1CCC(CC1)C(=O)O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C4=CC=CC=C4
Compound: 1-[[[2-(difluoromethoxy)phenyl]-oxomethyl]amino]-3-(3-methylphenyl)thiourea
SMILES: CC1=CC(=CC=C1)NC(=S)NNC(=O)C2=CC=CC=C2OC(F)F
Compound: N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-pyridinylmethyl)benzenesulfonamide
SMILES: COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CN=CC=C3)S(=O)(=O)C4=CC=CC=C4
Compound: 8-[1-[4-(dimethylamino)phenyl]-3-(3-methyl-1-piperidinyl)propyl]-5,7-dimethoxy-4-phenyl-1-benzopyran-2-one
SMILES: CC1CCCN(C1)CCC(C2=CC=C(C=C2)N(C)C)C3=C(C=C(C4=C3OC(=O)C=C4C5=CC=CC=C5)OC)OC
Compound: 3-ethyl-5-[(5-methyl-2-thiophenyl)methylidene]-2-sulfanylidene-4-imidazolidinone
SMILES: CCN1C(=O)C(=CC2=CC=C(S2)C)NC1=S
Compound: 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester
SMILES: COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CC3C(=O)NC4=CC=CC=C4S3
Compound: 7-hydroxy-3-(4-methoxyphenoxy)-2-methyl-8-(4-morpholinylmethyl)-1-benzopyran-4-one
SMILES: CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCOCC3)OC4=CC=C(C=C4)OC
Compound: 7-(2,5-dimethoxyphenyl)-5-(trifluoromethyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(N=C2N=CNN2C1C3=C(C=CC(=C3)OC)OC)C(F)(F)F
Compound: 1-cyclohexyl-3-[1-(3,4-dimethoxyphenyl)ethyl]thiourea
SMILES: CC(C1=CC(=C(C=C1)OC)OC)NC(=S)NC2CCCCC2
Compound: N-[(4-methoxyphenyl)methyl]-2-methyl-4,9-dioxo-3-benzo[f]benzofurancarboxamide
SMILES: CC1=C(C2=C(O1)C(=O)C3=CC=CC=C3C2=O)C(=O)NCC4=CC=C(C=C4)OC
Compound: 4-methoxy-N-[2-(4-morpholinyl)phenyl]-3-nitrobenzamide
SMILES: COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2N3CCOCC3)[N+](=O)[O-]
Compound: [9-(4-ethoxyphenyl)sulfonyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl]-(4-methylphenyl)methanone
SMILES: CCOC1=CC=C(C=C1)S(=O)(=O)C2=C(C=NC3=CC4=C(C=C32)OCCO4)C(=O)C5=CC=C(C=C5)C
Compound: 2-(3-nitrophenyl)-2,3-dihydro-1H-perimidine
SMILES: C1=CC2=C3C(=C1)NC(NC3=CC=C2)C4=CC(=CC=C4)[N+](=O)[O-]
Compound: 5-[(4-chlorophenyl)-oxomethyl]-4-hydroxy-6-[5-(2-nitrophenyl)-2-furanyl]-4-(trifluoromethyl)-1,3-diazinan-2-one
SMILES: C1=CC=C(C(=C1)C2=CC=C(O2)C3C(C(NC(=O)N3)(C(F)(F)F)O)C(=O)C4=CC=C(C=C4)Cl)[N+](=O)[O-]
Compound: 2-[[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]thio]-1-(1H-pyrrol-2-yl)ethanone
SMILES: C1=CNC(=C1)C(=O)CSC2=NN=C(O2)C3=CC=CO3
Compound: 4-[2-[[3-(4-methylphenyl)-5-triazolo[1,5-a]quinazolinyl]amino]ethyl]benzenesulfonamide
SMILES: CC1=CC=C(C=C1)C2=C3N=C(C4=CC=CC=C4N3N=N2)NCCC5=CC=C(C=C5)S(=O)(=O)N
Compound: 4-methoxy-N-[[(phenylmethyl)amino]-sulfanylidenemethyl]benzamide
SMILES: COC1=CC=C(C=C1)C(=O)NC(=S)NCC2=CC=CC=C2
Compound: 5-(1,3-benzodioxol-5-yl)-N-(2-furanylmethyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide
SMILES: C1OC2=C(O1)C=C(C=C2)C3=NC4=CC(=NN4C(=C3)C(F)(F)F)C(=O)NCC5=CC=CO5
Compound: 4-amino-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=CN=C(N=C1N)SCC(=O)C2=CC3=C(C=C2)OCCO3
Compound: N-[[4-(diethylamino)phenyl]methyl]-1-[2-(1-piperidinyl)ethyl]-2-benzimidazolamine
SMILES: CCN(CC)C1=CC=C(C=C1)CNC2=NC3=CC=CC=C3N2CCN4CCCCC4
Compound: 4-[3-(4-methoxyanilino)-3-oxopropyl]-1-piperazinecarboxylic acid ethyl ester
SMILES: CCOC(=O)N1CCN(CC1)CCC(=O)NC2=CC=C(C=C2)OC
Compound: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-ethylphenyl)urea
SMILES: CCC1=CC=C(C=C1)NC(=O)NCCN2CCC3=CC=CC=C3C2
Compound: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-3-ethyl-5,6-dimethyl-4-thieno[2,3-d]pyrimidinone
SMILES: CCN1C(=O)C2=C(N=C1SCC(=O)N3CCC4=CC=CC=C4C3)SC(=C2C)C
Compound: N-[2-(tert-butylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-oxolanylmethyl)-5-phenyl-1H-pyrrole-2-carboxamide
SMILES: CC(C)(C)NC(=O)C(C1=CC=CS1)N(CC2CCCO2)C(=O)C3=CC=C(N3)C4=CC=CC=C4
Compound: N-[3-(4-methyl-1-piperidinyl)-1,4-dioxo-2-naphthalenyl]benzenesulfonamide
SMILES: CC1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=CC=C4
Compound: LSM-16826
SMILES: CC1=NN(C2=C1C(N3C4=CC=CC=C4N=C(C3=N2)NC5=CC=CC=C5)C6=CC(=C(C=C6)O)O)C7=CC=CC=C7
Compound: N-[[3-methyl-1-phenyl-5-(1-pyrrolidinyl)-4-pyrazolyl]methylideneamino]-2-(3-pyridinyl)-4-quinolinecarboxamide
SMILES: CC1=NN(C(=C1C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4)N5CCCC5)C6=CC=CC=C6
Compound: N-[5-(methylthio)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
SMILES: CSC1=NN=C(S1)NC(=O)CCC2=CC=CC=C2
Compound: N-methyl-N-(1,3,4-trioxo-2-naphthalenyl)acetamide
SMILES: CC(=O)N(C)C1C(=O)C2=CC=CC=C2C(=O)C1=O
Compound: 2-(4-methoxyphenyl)-N-[2-(4-morpholinyl)ethyl]-4-quinolinecarboxamide
SMILES: COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCN4CCOCC4
Compound: N-[6-ethyl-6-methyl-2-(methylthio)-5,8-dihydropyrano[4,5]thieno[1,2-c]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILES: CCC1(CC2=C(CO1)SC3=NC(=NC(=C23)NCCN(C)C)SC)C
Compound: 2-[2-oxo-2-[4-(4-phenyl-1-phthalazinyl)-1-piperazinyl]ethyl]isoindole-1,3-dione
SMILES: C1CN(CCN1C2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)C(=O)CN5C(=O)C6=CC=CC=C6C5=O
Compound: N-(2-hydroxy-5-methylphenyl)-1,3-dioxo-2-propyl-5-isoindolecarboxamide
SMILES: CCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C)O
Compound: 2-butenedioic acid O4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester O1-ethyl ester
SMILES: CCOC(=O)C=CC(=O)OCC(=O)NC1=NC=C(C=C1)Cl
Compound: 4-[[[(1-ethyl-2-oxo-6-benzo[cd]indolyl)amino]-oxomethyl]amino]benzoic acid ethyl ester
SMILES: CCN1C2=C3C(=C(C=C2)NC(=O)NC4=CC=C(C=C4)C(=O)OCC)C=CC=C3C1=O
Compound: 3-nitro-N-(2-pyridinylmethylideneamino)benzamide
SMILES: C1=CC=NC(=C1)C=NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]
Compound: 1-(1-piperidinyl)-2-[[4-(prop-2-enylamino)-1-phthalazinyl]thio]ethanone
SMILES: C=CCNC1=NN=C(C2=CC=CC=C21)SCC(=O)N3CCCCC3
Compound: 5-[3,4-dihydro-1H-isoquinolin-2-yl(phenyl)methyl]-6-thiazolo[3,2-b][1,2,4]triazolol
SMILES: C1CN(CC2=CC=CC=C21)C(C3=CC=CC=C3)C4=C(N5C(=NC=N5)S4)O
Compound: N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
SMILES: C1CCC(C1)NC(=O)C(C2=CC=C(C=C2)F)N(CC3=CC=C(C=C3)F)C(=O)C4=CC=NN4
Compound: 1-piperidinecarboxylic acid (4-phenylphenyl) ester
SMILES: C1CCN(CC1)C(=O)OC2=CC=C(C=C2)C3=CC=CC=C3
Compound: 2-(6-amino-2-methyl-4-oxo-3-quinazolinyl)-N-(2-methylphenyl)acetamide
SMILES: CC1=CC=CC=C1NC(=O)CN2C(=NC3=C(C2=O)C=C(C=C3)N)C
Compound: 3-ethyl-5-(4-morpholinylmethylidene)-2-sulfanylidene-4-thiazolidinone
SMILES: CCN1C(=O)C(=CN2CCOCC2)SC1=S
Compound: 4-phenyl-N-(2-pyridinyl)butanamide
SMILES: C1=CC=C(C=C1)CCCC(=O)NC2=CC=CC=N2
Compound: 1-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
SMILES: C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3=CC=NC=C3
Compound: 4-(dimethylamino)-N-[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide
SMILES: C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)C(=O)CCCN(C)C
Compound: 4-(dimethylamino)-N-[[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbutanamide
SMILES: C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CCCN(C)C
Compound: N-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide
SMILES: C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)[C@H](C)CO)C)CN(C)C
Compound: 4-[4-[[1-(2-methylbutan-2-yl)-5-tetrazolyl]-(6-quinolinyl)methyl]-1-piperazinyl]phenol
SMILES: CCC(C)(C)N1C(=NN=N1)C(C2=CC3=C(C=C2)N=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)O
Compound: 4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [2-(4-acetylanilino)-2-oxoethyl] ester
SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=C3CCCC(=CC4=CC=CS4)C3=NC5=CC=CC=C52
Compound: 2-cyano-3-[1-[2-(2,5-dimethylphenoxy)ethyl]-3-indolyl]-N-(2-furanylmethyl)-2-propenamide
SMILES: CC1=CC(=C(C=C1)C)OCCN2C=C(C3=CC=CC=C32)C=C(C#N)C(=O)NCC4=CC=CO4
Compound: 1-(3-chloro-2-methylphenyl)-3-[[4-[2-(2,6-dimethyl-4-morpholinyl)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]thiourea
SMILES: CC1CN(CC(O1)C)C(=O)COC2=C(C=C(C=C2)C=NNC(=S)NC3=C(C(=CC=C3)Cl)C)OC
Compound: 4-bromo-N-(6-quinoxalinylmethylideneamino)benzamide
SMILES: C1=CC(=CC=C1C(=O)NN=CC2=CC3=NC=CN=C3C=C2)Br
Compound: N-[3-(1-imidazolyl)propyl]-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILES: COC1=CC2=C(C=C1)C3=C(CC2)C(=NO3)C(=O)NCCCN4C=CN=C4
Compound: 1-[4-[4-[(phenylmethyl)amino]phenyl]-1-piperazinyl]ethanone
SMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NCC3=CC=CC=C3
Compound: 3-amino-N-cyclopentyl-6-thiophen-2-yl-2-thieno[2,3-b]pyridinecarboxamide
SMILES: C1CCC(C1)NC(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CC=CS4)N
Compound: 9-(2-ethoxy-3-methoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILES: CCOC1=C(C=CC=C1OC)C2CC(=O)NC3=CC4=C(C=C23)OCCO4
Compound: 1-[4-(3-chloro-2,4,6-trifluorophenyl)sulfonyl-1-piperazinyl]ethanone
SMILES: CC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C(=C(C=C2F)F)Cl)F
Compound: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[1-naphthalenyl(oxo)methyl]amino]-3-thiophenecarboxamide
SMILES: CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC=CC3=CC=CC=C32)CC4=CC5=C(C=C4)OCO5
Compound: 1-(4-acetylphenyl)-3-[(4-nitrophenyl)sulfonylamino]urea
SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)NNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Compound: 3,5,5-trimethyl-2-sulfanylidene-1,6-dihydrobenzo[h]quinazolin-4-one
SMILES: CC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=S)N3)C)C
Compound: N2-(2-furanylmethyl)-6-(3-methyl-1-piperidinyl)-5-nitropyrimidine-2,4-diamine
SMILES: CC1CCCN(C1)C2=C(C(=NC(=N2)NCC3=CC=CO3)N)[N+](=O)[O-]
Compound: 2-(2,2-dimethyl-4-oxanyl)-4-(4-nitrophenyl)thiazole
SMILES: CC1(CC(CCO1)C2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])C
Compound: ent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidol
SMILES: O[C@H]1Cc2c(O)c([C@@H]3[C@@H](O)[C@H](Oc4cc(O)ccc34)c3ccc(O)c(O)c3)c(O)c([C@@H]3[C@@H](O)[C@@H](Oc4cc(O)ccc34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1
Compound: 5-amino-4-[anilino(oxo)methyl]-3-methyl-2-thiophenecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(C(=C(S1)N)C(=O)NC2=CC=CC=C2)C
Compound: 3-(3,4-dimethylanilino)-1-(4-methylphenyl)-2-propen-1-one
SMILES: CC1=CC=C(C=C1)C(=O)C=CNC2=CC(=C(C=C2)C)C
Compound: 3-acetamido-N-[4-(4-methylsulfonylphenyl)-2-thiazolyl]-3-phenyl-N-prop-2-enylpropanamide
SMILES: CC(=O)NC(CC(=O)N(CC=C)C1=NC(=CS1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3
Compound: 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(4-chlorophenyl)urea
SMILES: CC(C)(C)C1=NN=C(S1)NC(=O)NC2=CC=C(C=C2)Cl
Compound: 3,6-dichloro-N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
SMILES: CC1=CC(=NC=C1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl
Compound: 5-carbamoyl-4-methyl-2-[[(3-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester
SMILES: CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)N
Compound: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[5-[4-(dimethylamino)phenyl]-2-tetrazolyl]ethanone
SMILES: CN(C)C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)N3C4=CC=CC=C4CCC5=CC=CC=C53
Compound: 1-(3,5-dichlorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
SMILES: C1C(C(=O)N(C1=O)C2=CC(=CC(=C2)Cl)Cl)N(C3=CC=CC=C3)O
Compound: 2-[3-(2-nitroethenyl)-1-indolyl]acetic acid ethyl ester
SMILES: CCOC(=O)CN1C=C(C2=CC=CC=C21)C=C[N+](=O)[O-]
Compound: 3-[[2-furanyl(oxo)methyl]amino]-1H-indole-2-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)C3=CC=CO3
Compound: 4-(3-bromophenyl)-2-(4-bromophenyl)-7-methylpyrazolo[3,4-d]pyridazine
SMILES: CC1=NN=C(C2=CN(N=C12)C3=CC=C(C=C3)Br)C4=CC(=CC=C4)Br
Compound: 4-mercapto-6-oxo-3-phenyl-2-thiophen-2-yl-1,2-dihydropyrimidine-5-carbonitrile
SMILES: C1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=CS3
Compound: N-(3-methoxyphenyl)-2-(2-pyridinylthio)acetamide
SMILES: COC1=CC=CC(=C1)NC(=O)CSC2=CC=CC=N2
Compound: 5-bromo-N-(2-oxolanylmethyl)-2-thiophenesulfonamide
SMILES: C1CC(OC1)CNS(=O)(=O)C2=CC=C(S2)Br
Compound: 4-cyclopropyl-2-[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)CSCC3=C(ON=C3C)C
Compound: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILES: C1CN(CC2=CC=CC=C21)CCCNC3=NC4=CC=CC=C4N5C3=NN=C5
Compound: N-[4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]phenyl]acetamide
SMILES: CC(=O)NC1=CC=C(C=C1)NC=C2C(=O)NC(=O)N(C2=O)CCC3=CC(=C(C=C3)OC)OC
Compound: 2-acetamido-2-(hydroxymethyl)propanedioic acid diethyl ester
SMILES: CCOC(=O)C(CO)(C(=O)OCC)NC(=O)C
Compound: 4-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILES: C1CNC(C2=C1SC=C2)C3=CC=C(C=C3)C(F)(F)F
Compound: 4-[(5-bromo-2-thiophenyl)methylideneamino]-3-(2-pyridinyl)-1H-1,2,4-triazole-5-thione
SMILES: C1=CC=NC(=C1)C2=NNC(=S)N2N=CC3=CC=C(S3)Br
Compound: epi-tulipinolide
SMILES: O1[C@]2([C@](C(C1=O)=C)([C@H](OC(=O)C)CC(=CCCC(=C2)C)C)[H])[H]
Compound: N-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methylideneamino]-4-pyridinecarboxamide
SMILES: C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=NNC(=O)C4=CC=NC=C4
Compound: 1-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]thiourea
SMILES: CC(=NNC(=S)NC)C1=CC(=CC=C1)C(F)(F)F
Compound: 2-[6-amino-5-cyano-4-(4-ethylphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetic acid methyl ester
SMILES: CCC1=CC=C(C=C1)C2C(=C(OC3=NNC(=C23)CC(=O)OC)N)C#N
Compound: octyl 5-methyl-7-thiophen-2-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
SMILES: CCCCCCCCOC(=O)C1C(N2C(=NN=N2)N=C1C)C3=CC=CS3
Compound: 3,4,5-triethoxy-N-[4-(4-methylsulfonyl-1-piperazinyl)phenyl]benzamide
SMILES: CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C
Compound: 3-acetamido-5-chloro-2-benzofurancarboxylic acid
SMILES: CC(=O)NC1=C(OC2=C1C=C(C=C2)Cl)C(=O)O
Compound: 1-(3-fluorophenyl)-3-[1-[(4-methyl-1-piperazinyl)-oxomethyl]cyclohexyl]urea
SMILES: CN1CCN(CC1)C(=O)C2(CCCCC2)NC(=O)NC3=CC(=CC=C3)F
Compound: N-(3-chloro-4-methylphenyl)-4-oxo-3,10-dihydro-2H-pyrimido[1,2-a]benzimidazole-2-carboxamide
SMILES: CC1=C(C=C(C=C1)NC(=O)C2CC(=O)N3C4=CC=CC=C4NC3=N2)Cl
Compound: 2-[2-(1-pyridin-4-ylethylidene)hydrazinyl]benzoic acid
SMILES: CC(=NNC1=CC=CC=C1C(=O)O)C2=CC=NC=C2
Compound: 3-(4-methoxyphenyl)-3-[[2-(4-methoxyphenyl)-1-oxoethyl]amino]propanoic acid
SMILES: COC1=CC=C(C=C1)CC(=O)NC(CC(=O)O)C2=CC=C(C=C2)OC
Compound: epi-Tulipinolide diepoxide
SMILES: CC(=O)O[C@@H]1C[C@@]2(C)O[C@@H]2CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12
Compound: 3-[1-butyl-5-(diethylsulfamoyl)-2-benzimidazolyl]propanoic acid
SMILES: CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1CCC(=O)O
Compound: 1-(4-methoxyphenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyrrolidine-2,5-dione
SMILES: COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCC(=CC3)C4=CC=CC=C4
Compound: N-[2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2-pyrazinecarboxamide
SMILES: CCOCCCNC(=O)C(C1=CC=C(C=C1)OC)NC(=O)C2=NC=CN=C2
Compound: 6-bromo-3-phenyl-2-sulfanylidene-1H-quinazolin-4-one
SMILES: C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Br)NC2=S
Compound: 2-[[1-(4-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]-1-butanol
SMILES: CCC(CO)NC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)Cl
Compound: 1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-3-(5-methyl-2-furanyl)-2-propen-1-one
SMILES: CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC=C(O3)C)C
Compound: N-(4-fluorophenyl)-5-nitro-2-pyridinamine
SMILES: C1=CC(=CC=C1NC2=NC=C(C=C2)[N+](=O)[O-])F
Compound: 2-(1,3-benzodioxol-5-ylmethylthio)-5-(2-furanyl)-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone
SMILES: C=CCN1C(=O)C2=C(N=C1SCC3=CC4=C(C=C3)OCO4)SC=C2C5=CC=CO5
Compound: N-(4-methyl-1,3-benzothiazol-2-yl)-2-(1-pyrrolyl)acetamide
SMILES: CC1=C2C(=CC=C1)SC(=N2)NC(=O)CN3C=CC=C3
Compound: N-[2-[(3-cyano-6-ethoxy-2-quinolinyl)amino]ethyl]propanamide
SMILES: CCC(=O)NCCNC1=NC2=C(C=C(C=C2)OCC)C=C1C#N
Compound: epinine
SMILES: CNCCc1ccc(O)c(O)c1
Compound: 4-acetamidobenzenesulfonic acid [3-[(2-amino-4-oxo-5-thiazolylidene)methyl]phenyl] ester
SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C=C3C(=O)N=C(S3)N
Compound: N-[1,4-dioxo-3-(3-pentyl-1-imidazol-3-iumyl)-2-naphthalenyl]benzenesulfonamide
SMILES: CCCCC[N+]1=CN(C=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=CC=C4
Compound: 4-(4-bromophenyl)-2-(3-indolylidene)-3H-thiazole
SMILES: C1=CC=C2C(=C1)C(=C3NC(=CS3)C4=CC=C(C=C4)Br)C=N2
Compound: 3-(dimethylaminomethylideneamino)-4-methoxy-2-thieno[2,3-b]pyridinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(C2=C(C=CN=C2S1)OC)N=CN(C)C
Compound: 2-[4-chloro-2-[3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid methyl ester
SMILES: COC1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=C(C=CC(=C4)Cl)OCC(=O)OC
Compound: 5-bromo-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-thiophenecarboxamide
SMILES: COC1=C2C(=C(C=C1)OC)SC(=N2)NC(=O)C3=CC=C(S3)Br
Compound: 6-[5-[4-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-ylidene]-1-cyclohexa-2,4-dienone
SMILES: C1=CC(=C2NN=C(O2)C3=CC=C(C=C3)C(F)(F)F)C(=O)C=C1
Compound: 3,4-dimethoxy-N-[3-(methylthio)phenyl]benzenesulfonamide
SMILES: COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)SC)OC
Compound: 4-oxo-4-thiophen-2-ylbutanoic acid [2-(ethylamino)-2-oxoethyl] ester
SMILES: CCNC(=O)COC(=O)CCC(=O)C1=CC=CS1
Compound: LSM-16912
SMILES: C=CCSC1=NC2=C(C=CS2)C3=NC(=O)CN31
Compound: N-(cinnamylideneamino)carbamic acid ethyl ester
SMILES: CCOC(=O)NN=CC=CC1=CC=CC=C1
Compound: 4-(5-methyl-2-furanyl)-2-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(SC=C1C2=CC=C(O2)C)NC(=O)CSC3=NC=NN3
Compound: N-[(3-methoxyphenyl)methyl]-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-3-piperidinecarboxamide
SMILES: CC1=C(C(=O)NC(=O)N1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC(=CC=C3)OC
Compound: N-(4-propan-2-ylphenyl)-1-[(1,3,3-trimethyl-2-oxo-5-indolyl)sulfonyl]-4-piperidinecarboxamide
SMILES: CC(C)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)C4(C)C)C
Compound: N-butyl-5-(3,4-dimethylphenyl)-6H-1,3,4-thiadiazin-2-amine
SMILES: CCCCNC1=NN=C(CS1)C2=CC(=C(C=C2)C)C
Compound: butanoic acid [2-oxo-2-(4-phenyldiazenylanilino)ethyl] ester
SMILES: CCCC(=O)OCC(=O)NC1=CC=C(C=C1)N=NC2=CC=CC=C2
Compound: 1-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]-3-(2,6-dimethylphenyl)thiourea
SMILES: CC1=C(C(=CC=C1)C)NC(=S)NN=C(C)C2=CC=C(C=C2)OC(F)F
Compound: 1-butyl-3-[[(4,5-dimethyl-3-thiophenyl)-oxomethyl]amino]thiourea
SMILES: CCCCNC(=S)NNC(=O)C1=CSC(=C1C)C
Compound: 1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-N-[4-(2-fluorophenoxy)phenyl]-4-piperidinecarboxamide
SMILES: CCN1C=C(C(=N1)C)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4F
Compound: 1-butyl-5-[1-(2-phenylethylamino)propylidene]-1,3-diazinane-2,4,6-trione
SMILES: CCCCN1C(=O)C(=C(CC)NCCC2=CC=CC=C2)C(=O)NC1=O
Compound: (-)-trans-epsilon-viniferin
SMILES: Oc1ccc(\C=C\c2cc(O)cc3O[C@H]([C@@H](c23)c2cc(O)cc(O)c2)c2ccc(O)cc2)cc1
Compound: N-[3-[4-(2,3-dimethylphenyl)-1-piperazinyl]-3-oxopropyl]-2-(1-oxo-2-isoquinolinyl)acetamide
SMILES: CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCNC(=O)CN3C=CC4=CC=CC=C4C3=O)C
Compound: N-(2-adamantyl)-4-(4-ethylsulfonyl-1-piperazinyl)-3-nitrobenzamide
SMILES: CCS(=O)(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3C4CC5CC3CC(C4)C5)[N+](=O)[O-]
Compound: 2-fluoro-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
SMILES: C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)F)F
Compound: 3-[(4-methoxyanilino)methyl]-1H-quinolin-2-one
SMILES: COC1=CC=C(C=C1)NCC2=CC3=CC=CC=C3NC2=O
Compound: 1-(2-ethyl-6-methylphenyl)-3-[(1-methyl-2-pyrrolyl)methyl]thiourea
SMILES: CCC1=CC=CC(=C1NC(=S)NCC2=CC=CN2C)C
Compound: 2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide
SMILES: CC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CN=C(C=C3)Cl
Compound: 1-cyclohexyl-2-[(1-ethyl-2-imidazolyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILES: CCN1C=CN=C1CN2CCC3=C(C2C4CCCCC4)NC5=CC=CC=C35
Compound: N-[2-(2-ethyl-1-piperidinyl)ethyl]-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]acetamide
SMILES: CCC1CCCCN1CCNC(=O)CNS(=O)(=O)C2=CC3=C(C=C2)N=C(S3)C
Compound: N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]acetamide
SMILES: C1CC2=C(C1)C=C(C=C2)NC(=O)CSC3=NC(=CC(=O)N3)O
Compound: 5-(2-furanyl)-3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-1,2,4-oxadiazole
SMILES: CC1=CC=C(C=C1)C2=NC(=C(C=C2)C3=NOC(=N3)C4=CC=CO4)OC
Compound: N-[2-(2,3-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methoxybenzamide
SMILES: CC1=C(C(=CC=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4=CC=CC=C4OC)C
Compound: 2-[2,4-dioxo-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]acetamide
SMILES: C1CCC2=C(C1)C3=C(S2)N(C(=O)N(C3=O)CCC4=CC=CC=C4)CC(=O)N
Compound: N-[3-(3-methylphenoxy)-5-nitrophenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
SMILES: CC1=CC(=CC=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CN3C=NC(=N3)[N+](=O)[O-]
Compound: 3-methyl-2-benzofurancarboxylic acid [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5-pyrimidinyl]-2-oxoethyl] ester
SMILES: CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)C3=C(N(C(=O)N(C3=O)C)CC(C)C)N
Compound: 2-(2,4-dimethylphenyl)-5-benzotriazolamine
SMILES: CC1=CC(=C(C=C1)N2N=C3C=CC(=CC3=N2)N)C
Compound: 2-[[3-(4-methylphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]-N-(2-thiazolyl)acetamide
SMILES: CC1=CC=C(C=C1)N2C(=O)C3=C(CCS3)N=C2SCC(=O)NC4=NC=CS4
Compound: 2-[2-[[3-(2-chlorophenyl)-1-oxoprop-2-enyl]amino]-4-thiazolyl]acetic acid ethyl ester
SMILES: CCOC(=O)CC1=CSC(=N1)NC(=O)C=CC2=CC=CC=C2Cl
Compound: 4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazo]-4-oxo-N-propan-2-ylbutanamide
SMILES: CC1=NN2C(=N1)C3=CC=CC=C3N=C2NNC(=O)CCC(=O)NC(C)C
Compound: 3-(5-methyl-2-furanyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propen-1-one
SMILES: CC1=CC=C(O1)C=CC(=O)N2CCN(CC2)C3=NC=CC=N3
Compound: 3,4-dimethyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid propyl ester
SMILES: CCCOC(=O)C1=C(N(C(=O)NC1C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C)C
Compound: N'-[(2-chlorophenyl)-oxomethyl]-2-thiophenecarbohydrazide
SMILES: C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CS2)Cl
Compound: 1-[[(4-chloroanilino)-oxomethyl]amino]-N-[3-(4-morpholinyl)propyl]-1-cyclohexanecarboxamide
SMILES: C1CCC(CC1)(C(=O)NCCCN2CCOCC2)NC(=O)NC3=CC=C(C=C3)Cl
Compound: N-[3-(1H-imidazol-3-ium-3-yl)propyl]-7H-purin-6-amine
SMILES: C1=CN(C=N1)CCCNC2=[NH+]C=NC3=C2NC=N3
Compound: 2-[(2,6-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester
SMILES: CC(C)C(C(=O)OCC(=O)C1=CNC2=CC=CC=C21)NS(=O)(=O)C3=C(C=CC=C3Cl)Cl
Compound: LSM-16947
SMILES: CC1(CC2=C3C(=C(SC3=NC(=C2CO1)N4CCOCC4)C5=CC=C(O5)C(=O)OC)N)C
Compound: 5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
SMILES: CC(C)(C)C1CCC2=C(C1)C(=NN2)C(=O)O
Compound: 4-[[4-(dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy]benzoic acid methyl ester
SMILES: CN(C)C1=NC(=NC(=N1)N2CCOCC2)OC3=CC=C(C=C3)C(=O)OC
Compound: 5-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4-pyrazolylidene]methylamino]-1,3-dihydrobenzimidazol-2-one
SMILES: CC1=C(C=C(C=C1)N2C(=O)C(=CNC3=CC4=C(C=C3)NC(=O)N4)C(=N2)C)C
Compound: N-(1,3-dioxo-5-isoindolyl)butanamide
SMILES: CCCC(=O)NC1=CC2=C(C=C1)C(=O)NC2=O
Compound: 5-[[4-[[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]oxy]-3-methoxyphenyl]methylidene]-3-phenyl-2-sulfanylidene-4-thiazolidinone
SMILES: COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)C3=CC=CC=C3)OC4=NC(=NC(=N4)N5CCOCC5)N6CCOCC6
Compound: N-(2,4-dimethylphenyl)-3-methyl-5-(4-morpholinylsulfonyl)-2-benzofurancarboxamide
SMILES: CC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(O2)C=CC(=C3)S(=O)(=O)N4CCOCC4)C)C
Compound: 1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-(4-fluorophenyl)-1-(pyridin-4-ylmethyl)thiourea
SMILES: CC1=C(C2=C(N1)C=CC(=C2)F)CCN(CC3=CC=NC=C3)C(=S)NC4=CC=C(C=C4)F
Compound: 2-[(2,3,4-trifluorophenyl)sulfonylamino]acetic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester
SMILES: COC1=C(C=C(C=C1)NC(=O)COC(=O)CNS(=O)(=O)C2=C(C(=C(C=C2)F)F)F)OC
Compound: N-[[3-(2-oxazolo[4,5-b]pyridinyl)anilino]-sulfanylidenemethyl]-2-furancarboxamide
SMILES: C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=CO2)C3=NC4=C(O3)C=CC=N4
Compound: 6-[(4-chloroanilino)methylidene]-3-prop-2-enoxy-1-cyclohexa-2,4-dienone
SMILES: C=CCOC1=CC(=O)C(=CNC2=CC=C(C=C2)Cl)C=C1
Compound: 3-[5-(4-fluorophenyl)-1-(2-furanylmethyl)-2-pyrrolyl]propanoic acid
SMILES: C1=COC(=C1)CN2C(=CC=C2C3=CC=C(C=C3)F)CCC(=O)O
Compound: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide
SMILES: CCSC1=NN=C(S1)NC(=O)C(C)(C(F)(F)F)C(F)(F)F
Compound: N-(4-methyl-2-thiazolyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
SMILES: CC1=CSC(=N1)NC(=O)CCN2C3=CC=CC=C3SC2=O
Compound: 1,8-dimethoxyphenazine
SMILES: COC1=CC2=NC3=C(C=CC=C3OC)N=C2C=C1
Compound: 12-oxo-N-(4-phenyl-2-thiazolyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
SMILES: C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=NC(=CS4)C5=CC=CC=C5)C(=O)N2CC1
Compound: 4-[3-(2,4-dichlorophenyl)-5-isoxazolyl]-2-pyrimidinamine
SMILES: C1=CC(=C(C=C1Cl)Cl)C2=NOC(=C2)C3=NC(=NC=C3)N
Compound: N-(1,3-benzothiazol-2-yl)-2-[(3,4-dimethoxyphenyl)methylideneamino]oxyacetamide
SMILES: COC1=C(C=C(C=C1)C=NOCC(=O)NC2=NC3=CC=CC=C3S2)OC
Compound: 4-[3-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]-2H-isoxazol-5-ylidene]-1-cyclohexa-2,5-dienone
SMILES: C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC(=C4C=CC(=O)C=C4)ON3
Compound: LSM-16966
SMILES: C1=NC2=C(N1)C(=[NH+]C=N2)NCCOCCO
Compound: N-[5-(diethylsulfamoyl)-2-(4-morpholinyl)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILES: CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=C4CCCC4=NC5=CC=CC=C53
Compound: 2-(4-bromophenyl)thiazolidine
SMILES: C1CSC(N1)C2=CC=C(C=C2)Br
Compound: N-[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]-1,3-benzodioxole-5-carboxamide
SMILES: CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)N5CCN(CC5)C
Compound: 2-[5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]-N-(2-fluorophenyl)acetamide
SMILES: CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C=C2C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3F
Compound: 5-[diethylamino(oxo)methyl]-4-methyl-2-(1-oxopentylamino)-3-thiophenecarboxylic acid methyl ester
SMILES: CCCCC(=O)NC1=C(C(=C(S1)C(=O)N(CC)CC)C)C(=O)OC
Compound: 4-(1,1,2,3,3,3-hexafluoropropoxy)benzoic acid
SMILES: C1=CC(=CC=C1C(=O)O)OC(C(C(F)(F)F)F)(F)F
Compound: gamma-Coniceine
SMILES: CCCC1=NCCCC1
Compound: N-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]-1H-indole-3-carboxamide
SMILES: C1C(=O)C(=C(N1NC(=O)C2=CNC3=CC=CC=C32)N)C4=NC5=CC=CC=C5S4
Compound: 3-[[[[[5-(4-chlorophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methoxybenzoic acid
SMILES: COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl
Compound: 2-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)acetamide
SMILES: CCN1C2=C(C=C(C=C2)NC(=O)CCl)OC1=O
Compound: 5-[[2-(methylthio)-5-pyrimidinyl]methylidene]-1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione
SMILES: CC(C)C1=CC=C(C=C1)N2C(=O)C(=CC3=CN=C(N=C3)SC)C(=O)NC2=O
Compound: 3-[[1-(3-chlorophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methylamino]-2-methyl-4-quinazolinone
SMILES: CC1=NN(C(=O)C1=CNN2C(=NC3=CC=CC=C3C2=O)C)C4=CC(=CC=C4)Cl
Compound: N-[[1,3-dioxo-2-(phenylmethyl)-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]-4-methoxybenzamide
SMILES: COC1=CC=C(C=C1)C(=O)NCC23C=CC(O2)C4C3C(=O)N(C4=O)CC5=CC=CC=C5
Compound: N-[[5-(2-chloro-4-nitrophenyl)-2-furanyl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILES: CC1=CC(=NN1)C(=O)NN=CC2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl
Compound: 3-propoxy-N-[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]benzamide
SMILES: CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(F)(F)F
Compound: 3-(4-methylphenyl)-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILES: CC1=CC=C(C=C1)C2=NN=C3N2N=C(S3)C4=CC=NC=C4
Compound: 3-(4-bromophenyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
SMILES: COC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=C(C=C3)Br
Compound: gamma-Fagarine
SMILES: COc1cccc2c(OC)c3ccoc3nc12
Compound: 2-methylsulfonyl-4,6-diphenyl-3-thieno[2,3-b]pyridinamine
SMILES: CS(=O)(=O)C1=C(C2=C(S1)N=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)N
Compound: 3-[5-(4-bromophenyl)-2-furanyl]-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-2-propenamide
SMILES: C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)Br)C#N
Compound: 3-(4-methylphenyl)sulfonylpropanoic acid [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] ester
SMILES: CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC2=C(C=C(C=N2)Cl)Cl
Compound: 3,5-dimethyl-N-[4-[(1-oxo-2-phenylethyl)amino]phenyl]benzamide
SMILES: CC1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3)C
Compound: 1-[[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridinylidene]methylamino]-3-(4-propan-2-ylphenyl)thiourea
SMILES: CC1=NC=C(C(=CNNC(=S)NC2=CC=C(C=C2)C(C)C)C1=O)CO
Compound: 3-methyl-7-(2-phenylethyl)-8-(propylamino)purine-2,6-dione
SMILES: CCCNC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C
Compound: 3-[(2-fluorophenyl)methyl]-7-(1-imidazolyl)triazolo[4,5-d]pyrimidine
SMILES: C1=CC=C(C(=C1)CN2C3=C(C(=NC=N3)N4C=CN=C4)N=N2)F
Compound: LSM-16990
SMILES: CC1=CC(=CC=C1)N2C=NC3=C(C2=O)SC4=NC(=C5CCCCC5=C34)N6CCOCC6
Compound: N-[3-[[2-(2,6-dimethylphenoxy)-1-oxoethyl]amino]phenyl]-2-furancarboxamide
SMILES: CC1=C(C(=CC=C1)C)OCC(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3
Compound: N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
SMILES: C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4C(=O)O3
Compound: 2-[5-(1-methyl-2-oxo-3-indolylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]pentanedioic acid
SMILES: CN1C2=CC=CC=C2C(=C3C(=O)N(C(=S)S3)C(CCC(=O)O)C(=O)O)C1=O
Compound: 2-(4-hydroxyanilino)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-4-thiazolone
SMILES: COC1=CC(=CC(=C1O)OC)C=C2C(=O)N=C(S2)NC3=CC=C(C=C3)O
Compound: 2-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILES: COCC(=O)NC1=NN=C(S1)C2=CC=CS2
Compound: 1-(2-chlorophenyl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethanone
SMILES: CC1=C(C(=NN1CC(=O)C2=CC=CC=C2Cl)C)[N+](=O)[O-]
Compound: N-[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]-1-methyl-2-pyrrolecarboxamide
SMILES: CN1C=CC=C1C(=O)NC(=O)CSC2=NC3=CC=CC=C3S2
Compound: N-(4-fluorophenyl)-1-(3-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinamine
SMILES: CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC=C(C=C4)F
Compound: 4-[3-oxo-1-(3,4,5-trimethoxyanilino)-1H-isoindol-2-yl]-1-piperidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)N1CCC(CC1)N2C(C3=CC=CC=C3C2=O)NC4=CC(=C(C(=C4)OC)OC)OC
Compound: 1-(3-chloro-4-methoxyphenyl)-3-(2-fluorophenyl)urea
SMILES: COC1=C(C=C(C=C1)NC(=O)NC2=CC=CC=C2F)Cl
Compound: 1-[(5,7-dimethyl-3-pyrazolo[1,5-a]pyrimidinyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1CCN(CC1)C(=O)C2=C3N=C(C=C(N3N=C2)C)C
Compound: N-[4-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylamino]-2-methoxyphenyl]-2-methylpropanamide
SMILES: CC(C)C(=O)NC1=C(C=C(C=C1)NCC2=CC(=C(C(=C2)Br)OCC=C)OC)OC
Compound: 3-(4-oxo-1H-quinazolin-2-yl)propanoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester
SMILES: CC1=C(C(=NO1)C)COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2
Compound: 4-[(3-ethoxycarbonyl-5-methyl-4-phenyl-2-thiophenyl)amino]-4-oxo-2-butenoic acid
SMILES: CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)C=CC(=O)O
Compound: 4-methyl-2-[(1-oxo-2-phenoxyethyl)amino]-N-phenyl-5-thiazolecarboxamide
SMILES: CC1=C(SC(=N1)NC(=O)COC2=CC=CC=C2)C(=O)NC3=CC=CC=C3
Compound: 5-methoxy-3-methyl-1H-indole-2-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)C
Compound: 4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-1H-pyrazol-3-one
SMILES: CC1=C(C(=O)N(N1)C2=CC=CC=C2)SC3=CC=C(C=C3)Cl
Compound: N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(phenylthio)acetamide
SMILES: CCOCC1=NN=C(S1)NC(=O)CSC2=CC=CC=C2
Compound: 3-(4-methylphenyl)-5-oxo-N-propyl-8-thiazolo[2,3-b]quinazolinecarboxamide
SMILES: CCCNC(=O)C1=CC2=C(C=C1)C(=O)N3C(=CSC3=N2)C4=CC=C(C=C4)C
Compound: 4-[[2-ethoxy-4-[(1-ethyl-2,5-dioxo-4-imidazolidinylidene)methyl]-6-prop-2-enylphenoxy]methyl]benzoic acid
SMILES: CCN1C(=O)C(=CC2=CC(=C(C(=C2)OCC)OCC3=CC=C(C=C3)C(=O)O)CC=C)NC1=O
Compound: (3,4-dimethylphenyl)-(4-phenyl-1-piperazinyl)methanone
SMILES: CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3)C
Compound: 2-oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILES: C1=CC=C(C=C1)C2=CC(=C(C(=O)N2)C#N)C(F)(F)F
Compound: gamma-glutamyl-beta-cyanoalanine
SMILES: N[C@@H](CCC(=O)N[C@@H](CC#N)C(O)=O)C(O)=O
Compound: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-cyclopropyl-3-isoxazolecarboxamide
SMILES: CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=NOC(=C3)C4CC4
Compound: 6-(4-ethoxy-3-methoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid methyl ester
SMILES: CCOC1=C(C=C(C=C1)C2CC3=C(C(=C(N3)C(=O)OC)C)C(=O)C2)OC
Compound: 4-[2-(3-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)ethylidene]-6-(trifluoromethyl)-1H-pyrimidin-2-one
SMILES: CCOC1=CC(=CC=C2C=C(NC(=O)N2)C(F)(F)F)C=CC1=O
Compound: 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)thio]-N-[(2-methoxyphenyl)methyl]acetamide
SMILES: COC1=CC=CC=C1CNC(=O)CSC2=C(C(=C(C(=N2)N)C#N)C3=CC=CS3)C#N
Compound: 3,5-dimethyl-1-[(7-methyl-2-naphthalenyl)sulfonyl]pyrazole
SMILES: CC1=CC2=C(C=C1)C=CC(=C2)S(=O)(=O)N3C(=CC(=N3)C)C
Compound: 4-fluoro-N-[[2-(3-pyridinyl)-1-piperidinyl]-sulfanylidenemethyl]benzamide
SMILES: C1CCN(C(C1)C2=CN=CC=C2)C(=S)NC(=O)C3=CC=C(C=C3)F
Compound: 3-(4-methoxyphenyl)-2-(4-methyl-1-piperazinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b]pyrimidin-4-one
SMILES: CN1CCN(CC1)C2=NC3=C(C4=C(S3)CCCCC4)C(=O)N2C5=CC=C(C=C5)OC
Compound: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-(2,5-dioxo-1-pyrrolidinyl)acetamide
SMILES: CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)CN3C(=O)CCC3=O)C
Compound: 4-chloro-N-(8-methyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)benzamide
SMILES: CC1=NC(=NC2=CC3=C(C=C12)OCO3)NC(=O)C4=CC=C(C=C4)Cl
Compound: LSM-17022
SMILES: CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=CN4C3=NC5=C(C4=O)C(=C(S5)C)C)C
Compound: N-(2-furanylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
SMILES: C1CCC2=C(CC1)SC=C2C(=O)NCC3=CC=CO3
Compound: 6-[(4-bromophenyl)-(1-pyrrolidinyl)methyl]-1,3-benzodioxol-5-ol
SMILES: C1CCN(C1)C(C2=CC=C(C=C2)Br)C3=CC4=C(C=C3O)OCO4
Compound: 2-anilinobenzoic acid [2-(4-acetylanilino)-2-oxoethyl] ester
SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2NC3=CC=CC=C3
Compound: 2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(SC2=C1CCC2)N=CC3C(=O)NC(=S)NC3=O
Compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-dimethyl-2-oxo-5-benzimidazolesulfonamide
SMILES: CCOC1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CC4=C(C=C3)N(C(=O)N4C)C
Compound: 1-cyclohexyl-3-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]urea
SMILES: CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)NC3CCCCC3
Compound: 6-methyl-2-phenyl-N-[(phenylmethylene)amino]-5-prop-2-enyl-4-pyrimidinamine
SMILES: CC1=C(C(=NC(=N1)C2=CC=CC=C2)NN=CC3=CC=CC=C3)CC=C
Compound: 2-[(2-hydroxy-1-naphthalenyl)methyl-methylamino]-N-[4-(4-morpholinyl)phenyl]acetamide
SMILES: CN(CC1=C(C=CC2=CC=CC=C21)O)CC(=O)NC3=CC=C(C=C3)N4CCOCC4
Compound: 2-[[cyclohexyl(oxo)methyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3CCCCC3
Compound: 4-(6-methyl-4-phenyl-2-quinazolinyl)-1,3-dihydroquinoxalin-2-one
SMILES: CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)N4CC(=O)NC5=CC=CC=C54
Compound: [2-(1-piperidinyl)-1,3-benzothiazol-6-yl]-[4-(2-pyridinyl)-1-piperazinyl]methanone
SMILES: C1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=N5
Compound: 2-[(4-cyanophenyl)methylthio]-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide
SMILES: COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC4=CC=C(C=C4)C#N
Compound: 2,2-dimethyl-N-[[2-(4-methyl-1-piperidinyl)anilino]-sulfanylidenemethyl]propanamide
SMILES: CC1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C(C)(C)C
Compound: 2-ethoxy-3-pyridinecarboxylic acid [2-[2-methyl-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester
SMILES: CCOC1=C(C=CC=N1)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C
Compound: (3aS,5S,9aS)-2-[(2-methylphenyl)methyl]-5-(1-methyl-3-phenyl-4-pyrazolyl)-3a,4,5,7,8,9-hexahydro-3H-pyrrolo[3,4-h]pyrrolizin-1-one
SMILES: CC1=CC=CC=C1CN2C[C@@H]3C[C@H](N4[C@@]3(C2=O)CCC4)C5=CN(N=C5C6=CC=CC=C6)C
Compound: 2-ethoxy-N-[1-(phenylmethyl)-4-piperidinyl]benzamide
SMILES: CCOC1=CC=CC=C1C(=O)NC2CCN(CC2)CC3=CC=CC=C3
Compound: 1-cyclohexyl-N-(3-methylbutyl)-5-benzimidazolecarboxamide
SMILES: CC(C)CCNC(=O)C1=CC2=C(C=C1)N(C=N2)C3CCCCC3
Compound: N-(6-fluoro-1,3-benzothiazol-2-yl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine
SMILES: C1COC2=C(O1)C=C3C(=C2)SC(=N3)NC4=NC5=C(S4)C=C(C=C5)F
Compound: N-(2-methoxy-3-dibenzofuranyl)-3-phenyl-2-propenamide
SMILES: COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)C=CC4=CC=CC=C4
Compound: 3-[[4-(methylamino)-3-nitrophenyl]methylidene]-1-benzothiopyran-4-one
SMILES: CNC1=C(C=C(C=C1)C=C2CSC3=CC=CC=C3C2=O)[N+](=O)[O-]
Compound: 5-amino-2-(diethylamino)-N-(2-methoxyphenyl)benzenesulfonamide
SMILES: CCN(CC)C1=C(C=C(C=C1)N)S(=O)(=O)NC2=CC=CC=C2OC
Compound: 2-(2-chloro-4-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILES: CC1=CC(=C(C=C1)NCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C)Cl
Compound: 3-(2,5-dimethyl-3-furanyl)-5,6-diphenyl-1,2,4-triazine
SMILES: CC1=CC(=C(O1)C)C2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4
Compound: 3-(2-chlorophenyl)-N-cyclohexyl-5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-isoxazolecarboxamide
SMILES: CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N(CC3=NC(=NO3)C4=CC=CC=C4)C5CCCCC5
Compound: tetraoctadec-11-enoyl cardiolipin
SMILES: O(P(OCC(COP(OC[C@@H](COC(CCCCCCCCCC=CCCCCCC)=O)OC(CCCCCCCCCC=CCCCCCC)=O)(O)=O)O)(O)=O)C[C@@H](COC(CCCCCCCCCC=CCCCCCC)=O)OC(CCCCCCCCCC=CCCCCCC)=O
Compound: N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3,4,5-trimethoxybenzamide
SMILES: CC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC
Compound: 6,7-diethoxy-3-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-sulfanylidene-1H-quinazolin-4-one
SMILES: CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCCN3CCCC3=O)OCC
Compound: N9-(4-butoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine
SMILES: CCCCOC1=CC=C(C=C1)NC2=NC3(CCCC3)N=C(N2)N
Compound: 2-(2,4-dibromophenoxy)-N-[[3-(hydroxymethyl)anilino]-sulfanylidenemethyl]acetamide
SMILES: C1=CC(=CC(=C1)NC(=S)NC(=O)COC2=C(C=C(C=C2)Br)Br)CO
Compound: 4-oxo-3-[(1-oxo-2,2-diphenylethyl)amino]-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester
SMILES: COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
Compound: 3-[3-(5-methyl-2-furanyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid
SMILES: CC1=CC=C(O1)C2=NN(C=C2C=CC(=O)O)C3=CC=CC=C3
Compound: N-[[2-(4-chlorophenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]benzenesulfonamide
SMILES: C1=CC=C(C=C1)S(=O)(=O)NCC23C=CC(O2)C4C3C(=O)N(C4=O)C5=CC=C(C=C5)Cl
Compound: 2-(1H-benzimidazol-2-ylthio)-1-thiophen-2-ylethanone
SMILES: C1=CC=C2C(=C1)NC(=N2)SCC(=O)C3=CC=CS3
Compound: N-[2-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-2-oxoethyl]-4-pyridinecarboxamide
SMILES: C1=CC(=O)C(=CNNC(=O)CNC(=O)C2=CC=NC=C2)C=C1Br
Compound: 5-(4-chlorophenyl)-2-(4-methoxyphenyl)sulfonyl-3-pyrazolamine
SMILES: COC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=N2)C3=CC=C(C=C3)Cl)N
Compound: 2-[[3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid
SMILES: COC1=CC=C(C=C1)C=CC(=O)NC2=CC=CC=C2C(=O)O
Compound: 3-[3-(3-bromophenyl)-4-[3-(4-chlorophenyl)-3-oxoprop-1-enyl]-1-pyrazolyl]propanoic acid
SMILES: C1=CC(=CC(=C1)Br)C2=NN(C=C2C=CC(=O)C3=CC=C(C=C3)Cl)CCC(=O)O
Compound: 2-(anilinomethylidene)-5-phenylcyclohexane-1,3-dione
SMILES: C1C(CC(=O)/C(=C\NC2=CC=CC=C2)/C1=O)C3=CC=CC=C3
Compound: 5-[(4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl)oxymethyl]-2-furancarboxylic acid
SMILES: C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3)OCC4=CC=C(O4)C(=O)O
Compound: 2-amino-4-phenylphenol
SMILES: C1=CC=C(C=C1)C2=CC(=C(C=C2)O)N
Compound: 5-amino-3-(2-methylphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)N)C3=CC=CC=C3C
Compound: 3-(1,3-benzodioxol-5-yl)-N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-propenamide
SMILES: CC1=CC=C(C=C1)N2C(=C3CSCC3=N2)NC(=O)C=CC4=CC5=C(C=C4)OCO5
Compound: N-[(2-methyl-3-phenylprop-2-enylidene)amino]-3-pyridinecarboxamide
SMILES: CC(=CC1=CC=CC=C1)C=NNC(=O)C2=CN=CC=C2
Compound: 1-(4-fluorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid (2-oxo-3-oxolanyl) ester
SMILES: CC1=NN(C2=C1C=C(S2)C(=O)OC3CCOC3=O)C4=CC=C(C=C4)F
Compound: N-(5-bromo-2-hydroxyphenyl)-5-propyl-3-isoxazolecarboxamide
SMILES: CCCC1=CC(=NO1)C(=O)NC2=C(C=CC(=C2)Br)O
Compound: 4-[[oxo-(1-phenyl-3-pyridin-4-yl-4-pyrazolyl)methyl]amino]benzoic acid methyl ester
SMILES: COC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC=NC=C3)C4=CC=CC=C4
Compound: 6-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-pyridinecarboxamide
SMILES: C1=CC=C(C(=C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CN=C(C=C3)Cl)Cl
Compound: 1-[5-hydroxy-3-methyl-5-(3-pyridinyl)-4H-pyrazol-1-yl]-2-(4-methylphenyl)ethanone
SMILES: CC1=NN(C(C1)(C2=CN=CC=C2)O)C(=O)CC3=CC=C(C=C3)C
Compound: 2-[1-(2-methylphenyl)-3-oxo-3-thiophen-2-ylpropyl]propanedinitrile
SMILES: CC1=CC=CC=C1C(CC(=O)C2=CC=CS2)C(C#N)C#N
Compound: N-(5-carbamoyl-2-methoxyphenyl)-3-(2,4-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
SMILES: COC1=CC(=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=C(C=CC(=C4)C(=O)N)OC)NC2=S)OC
Compound: 4-[[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-3,5-dimethylisoxazole
SMILES: CC1=C(C(=NO1)C)CSC2=NN=C(N2CC=C)C3COC4=CC=CC=C4O3
Compound: 4-[1,3-dioxo-3-[(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)amino]propyl]-1-piperazinecarboxylic acid ethyl ester
SMILES: CCOC(=O)N1CCN(CC1)C(=O)CC(=O)NC2=CC3=C(C=C2)N=C4CCCCCN4C3=O
Compound: 6,7-dimethoxy-N-[(5-methyl-2-furanyl)methyl]-2-(2-methylpropyl)-1-oxo-4-isoquinolinecarboxamide
SMILES: CC1=CC=C(O1)CNC(=O)C2=CN(C(=O)C3=CC(=C(C=C32)OC)OC)CC(C)C
Compound: 3-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-1,1-bis(phenylmethyl)urea
SMILES: CC1=C(C=C(C=C1)C(C(Cl)Cl)NC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)F
Compound: 5-[[4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]methyl]-2-furancarboxylic acid
SMILES: COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OCC4=CC=C(O4)C(=O)O
Compound: N-[(3,5,5-trimethyl-1-cyclohex-2-enylidene)amino]-2-thiophenecarboxamide
SMILES: CC1=CC(=NNC(=O)C2=CC=CS2)CC(C1)(C)C
Compound: N-(3,5-dichloro-2-pyridinyl)-2-[(1-phenyl-2-benzimidazolyl)thio]acetamide
SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=N4)Cl)Cl
Compound: [2-(3,4-dimethylphenyl)-4-quinolinyl]-(1-piperidinyl)methanone
SMILES: CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCCCC4)C
Compound: 9-[3-(4-acetyl-3,5-dimethyl-1-pyrazolyl)-2-hydroxypropyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one
SMILES: CC1=CC2=C(C=C1)N(C3=C2CCCC3=O)CC(CN4C(=C(C(=N4)C)C(=O)C)C)O
Compound: N-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILES: C1CN(CC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)F
Compound: 6-nitro-1,3-benzodioxol-5-amine
SMILES: C1OC2=C(O1)C=C(C(=C2)N)[N+](=O)[O-]
Compound: 2,3-dihydroindol-1-yl-(6-fluoro-2-methyl-4-quinolinyl)methanone
SMILES: CC1=NC2=C(C=C(C=C2)F)C(=C1)C(=O)N3CCC4=CC=CC=C43
Compound: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylphenyl)-2-propen-1-one
SMILES: CC1=CC=C(C=C1)C=CC(=O)N2CCC3=CC=CC=C3C2
Compound: 3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one
SMILES: CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCC3=CC(=C(C=C3)OC)OC)OCC
Compound: 3-[[2-(2-furanylmethyl)-3-oxo-1H-isoindol-1-yl]amino]benzoic acid ethyl ester
SMILES: CCOC(=O)C1=CC(=CC=C1)NC2C3=CC=CC=C3C(=O)N2CC4=CC=CO4
Compound: N-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
SMILES: C1=CC(=CC=C1CNC(=O)CC2=CC(=O)NC(=O)N2)Cl
Compound: 5-(3,4-dimethoxyphenyl)-2-phenyl-4-thieno[2,3-d][1,3]oxazinone
SMILES: COC1=C(C=C(C=C1)C2=CSC3=C2C(=O)OC(=N3)C4=CC=CC=C4)OC
Compound: 4-[[1-(2-furanylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]benzamide
SMILES: C1=COC(=C1)CN2C(=O)C(=CNC3=CC=C(C=C3)C(=O)N)C(=O)NC2=O
Compound: 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one
SMILES: C1CN(CCC12OCCO2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S
Compound: N-(6-methoxy-3-pyridinyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILES: CC1=CC=NC2=NC(=NN12)C(=O)NC3=CN=C(C=C3)OC
Compound: N-(2,6-dimethoxyphenyl)-2-(3-methyl-4-oxo-1-phthalazinyl)acetamide
SMILES: CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NC3=C(C=CC=C3OC)OC
Compound: 4-(2,4-dimethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
SMILES: CC1=C2C(NC(=O)C2=NN1)C3=C(C=C(C=C3)OC)OC
Compound: 3-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
SMILES: CN1C(=NN=C1SCC2=NNC(=S)N2CC=C)C3=CC=CC=C3
Compound: 4-[[3-[anilino(oxo)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]-4-oxobutanoic acid
SMILES: C1CCC2=C(CC1)SC(=C2C(=O)NC3=CC=CC=C3)NC(=O)CCC(=O)O
Compound: 2-bromo-4-chloro-6-[[4-(4-morpholinyl)anilino]methylidene]-1-cyclohexa-2,4-dienone
SMILES: C1COCCN1C2=CC=C(C=C2)NC=C3C=C(C=C(C3=O)Br)Cl
Compound: N-(2-methoxyethyl)-2-[[3-[(4-methoxyphenyl)methyl]-6-(4-morpholinyl)-4-oxo-2-quinazolinyl]thio]acetamide
SMILES: COCCNC(=O)CSC1=NC2=C(C=C(C=C2)N3CCOCC3)C(=O)N1CC4=CC=C(C=C4)OC
Compound: 2-[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILES: CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C3=NN=C(O3)C4=CC=C(C=C4)C(F)(F)F
Compound: N-(2,6-dibromo-4-methylphenyl)-3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamide
SMILES: CC1=CC(=C(C(=C1)Br)NC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)Cl)C)Br
Compound: 1-(4-butylphenyl)-3-[4-chloro-3-(dimethylsulfamoyl)phenyl]thiourea
SMILES: CCCCC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N(C)C
Compound: 4-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester
SMILES: CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OCC)C3=CC=CS3
Compound: N-(5-bromo-2-pyridinyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxamide
SMILES: CC(=CC1C(C1(C)C)C(=O)NC2=NC=C(C=C2)Br)C
Compound: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-oxo-1-benzopyran-2-carboxamide
SMILES: C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4
Compound: N-(4-bromo-3-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILES: CC1=C(C=CC(=C1)NC2=CC(=NC3=NC(=NN23)C)C)Br
Compound: 1-[4-ethoxy-3-[[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]phenyl]ethanone
SMILES: CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NN=C(N2CC3CCCO3)C4=CC=CS4
Compound: 2,6-dimethyl-N-(4-methylphenyl)-4-quinolinamine
SMILES: CC1=CC=C(C=C1)NC2=CC(=NC3=C2C=C(C=C3)C)C
Compound: 3-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-furanyl]benzoic acid methyl ester
SMILES: CC1=C(C(=O)NN1)C(C2=CC=C(O2)C3=CC(=CC=C3)C(=O)OC)C4=C(NNC4=O)C
Compound: 4-methoxy-N-[2-[(4-nitrophenyl)methylthio]-4-oxo-3-quinazolinyl]benzamide
SMILES: COC1=CC=C(C=C1)C(=O)NN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)[N+](=O)[O-]
Compound: N-[4-(4-morpholinylmethyl)phenyl]-3-phenyl-2-propenamide
SMILES: C1COCCN1CC2=CC=C(C=C2)NC(=O)C=CC3=CC=CC=C3
Compound: 2-chloro-5-[5-[(5-cyano-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]-2-furanyl]benzoic acid ethyl ester
SMILES: CCOC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=C3C(=C(C(=O)NC3=O)C#N)C)Cl
Compound: gamma-nonanolactone
SMILES: CCCCC[C@H]1CCC(=O)O1
Compound: 1-(3,4-dichlorophenyl)-3-(6-methylsulfonyl-1,3-benzothiazol-2-yl)urea
SMILES: CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl
Compound: N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
SMILES: CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3
Compound: 7-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILES: CCOC1=CC=C(C=C1)C2CC(N=C3N2NC(=N3)N)C4=CC(=CC=C4)OC
Compound: 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetic acid
SMILES: COC1=C(C(=CC(=C1)CO)Br)OCC(=O)O
Compound: 2-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide
SMILES: CC(C(=O)NCC1=CC=CC=C1OC)NS(=O)(=O)C2=CC=CC=C2
Compound: 2-[[[2-methyl-1-(phenylmethyl)-5-benzimidazolyl]amino]methyl]phenol
SMILES: CC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)NCC4=CC=CC=C4O
Compound: 4-(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)-1-(2-morpholin-4-ylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
SMILES: CC1=CC=CN2C1=NC(=C2C(=O)C3C(N(C(=O)C3=O)CCN4CCOCC4)C5=CC=CS5)C
Compound: 2,2,2-trifluoro-N-(2-methyl-8-quinolinyl)acetamide
SMILES: CC1=NC2=C(C=CC=C2NC(=O)C(F)(F)F)C=C1
Compound: 3,4-dimethoxy-N-[[4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide
SMILES: COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCCC3)OC
Compound: N-[(tert-butylamino)-oxomethyl]-2-[4-(3-chlorophenyl)-1-piperazinyl]acetamide
SMILES: CC(C)(C)NC(=O)NC(=O)CN1CCN(CC1)C2=CC(=CC=C2)Cl