MonarchInit/C3PO huggingface dataset:
Compound: 2-[[sulfanylidene-[[2,2,2-trichloro-1-[[(2-nitrophenyl)-oxomethyl]amino]ethyl]amino]methyl]amino]benzoic acid
SMILES: C1=CC=C(C(=C1)C(=O)O)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2[N+](=O)[O-]
Compound: [(3-methyl-1-phenyl-4-pyrazolyl)methylideneamino]thiourea
SMILES: CC1=NN(C=C1C=NNC(=S)N)C2=CC=CC=C2
Compound: 5-(3,4-dimethoxyphenyl)-N-(3-pyridinyl)-3-isoxazolecarboxamide
SMILES: COC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NC3=CN=CC=C3)OC
Compound: 2-[[sulfanylidene-[[2,2,2-trichloro-1-[(1-oxo-2-phenoxyethyl)amino]ethyl]amino]methyl]amino]benzoic acid
SMILES: C1=CC=C(C=C1)OCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC=C2C(=O)O
Compound: N-(1,3-benzothiazol-2-yl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide
SMILES: CN1C(=NN=C1SCC(=O)NC2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)OC
Compound: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,6-dimethylphenyl)benzamide
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3
Compound: N-(2-ethyl-6-methylphenyl)-2-(4-methyl-1-oxo-2-pyrrolo[1,2-d][1,2,4]triazinyl)acetamide
SMILES: CCC1=CC=CC(=C1NC(=O)CN2C(=O)C3=CC=CN3C(=N2)C)C
Compound: 3-(4-methyl-1,3-dioxan-2-yl)-1-benzopyran-4-one
SMILES: CC1CCOC(O1)C2=COC3=CC=CC=C3C2=O
Compound: 1-(3,4-dimethoxy-2-methylphenyl)-2-(3,4-dimethoxyphenyl)ethanone
SMILES: CC1=C(C=CC(=C1OC)OC)C(=O)CC2=CC(=C(C=C2)OC)OC
Compound: N-(2-butan-2-ylphenyl)-7-nitro-1H-indole-2-carboxamide
SMILES: CCC(C)C1=CC=CC=C1NC(=O)C2=CC3=C(N2)C(=CC=C3)[N+](=O)[O-]
Compound: 2-[(3-methyl-2-thiophenyl)methylidene]indene-1,3-dione
SMILES: CC1=C(SC=C1)C=C2C(=O)C3=CC=CC=C3C2=O
Compound: 1-(4-bromo-2-chlorophenyl)-3-[[oxo(pyridin-4-yl)methyl]amino]thiourea
SMILES: C1=CC(=C(C=C1Br)Cl)NC(=S)NNC(=O)C2=CC=NC=C2
Compound: (2S)-2-[5-[(2,4-dichlorophenyl)methylthio]-1,3,4-oxadiazol-2-yl]-1-pyrrolidinecarboxylic acid tert-butyl ester
SMILES: CC(C)(C)OC(=O)N1CCC[C@H]1C2=NN=C(O2)SCC3=C(C=C(C=C3)Cl)Cl
Compound: N'-(2-propoxyphenyl)-2-butenediamide
SMILES: CCCOC1=CC=CC=C1NC(=O)C=CC(=O)N
Compound: 2-(4-chloroanilino)-5-[(2,3-dichlorophenyl)methyl]-4-thiazolone
SMILES: C1=CC(=C(C(=C1)Cl)Cl)CC2C(=O)N=C(S2)NC3=CC=C(C=C3)Cl
Compound: reumycin
SMILES: CN1C(=O)C2=C(NC1=O)N=NC=N2
Compound: 5-nitro-N-[(4-propan-2-ylphenyl)methyl]-2-pyridinamine
SMILES: CC(C)C1=CC=C(C=C1)CNC2=NC=C(C=C2)[N+](=O)[O-]
Compound: 3-amino-2-(4-methoxyphenyl)-7-nitro-1-oxo-4-isoquinolinecarbonitrile
SMILES: COC1=CC=C(C=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C#N)N
Compound: N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide
SMILES: CC1=CC(=C(C(=C1)OCC(=O)NCC2=NC(=NO2)C3=CC=CC=C3)C)C
Compound: 2-[(3-ethyl-2-quinolinyl)thio]-N-(5-methyl-3-isoxazolyl)acetamide
SMILES: CCC1=CC2=CC=CC=C2N=C1SCC(=O)NC3=NOC(=C3)C
Compound: 2-[[3-cyano-4-(2-methoxyphenyl)-6-phenyl-2-pyridinyl]thio]acetic acid
SMILES: COC1=CC=CC=C1C2=CC(=NC(=C2C#N)SCC(=O)O)C3=CC=CC=C3
Compound: 1-anilino-3-ethylthiourea
SMILES: CCNC(=S)NNC1=CC=CC=C1
Compound: 5-[2-[(2-chloro-6-fluorophenyl)methoxyimino]ethyl]-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-4-isothiazolecarbonitrile
SMILES: C1=CC(=C(C(=C1)Cl)CON=CCC2=C(C(=NS2)SC3=C(C=C(C=N3)C(F)(F)F)Cl)C#N)F
Compound: 5-hydroxy-N,N-dimethyl-2-phenyl-3-benzofurancarboxamide
SMILES: CN(C)C(=O)C1=C(OC2=C1C=C(C=C2)O)C3=CC=CC=C3
Compound: 2-[[5-(phenoxymethyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetamide
SMILES: C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)N)COC3=CC=CC=C3
Compound: 3,5,6-trichloro-N-[(5-methyl-2-thiophenyl)methylideneamino]-2-pyridinamine
SMILES: CC1=CC=C(S1)C=NNC2=NC(=C(C=C2Cl)Cl)Cl
Compound: LSM-32650
SMILES: CCOC1=C(C=C(C=C1)C2C(C(=O)C(=O)N2C3=NOC(=C3)C)C(=O)C4=CC(=C(C=C4)OC)OC)OC
Compound: N-[2-(1-cyclohexenyl)ethyl]-4-fluorobenzamide
SMILES: C1CCC(=CC1)CCNC(=O)C2=CC=C(C=C2)F
Compound: N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-yl-2-furancarboxamide
SMILES: CC(C)N(CC1=CC2=C(C=CC(=C2)OC)NC1=O)C(=O)C3=CC=CO3
Compound: 2-furancarboxylic acid [4-[(2,4-dioxo-5-thiazolidinylidene)methyl]-2-methoxyphenyl] ester
SMILES: COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)S2)OC(=O)C3=CC=CO3
Compound: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(ethylthio)phenyl]methanone
SMILES: CCSC1=CC=CC=C1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4
Compound: 7-[(4-acetylphenoxy)methyl]-5-thiazolo[3,2-a]pyrimidinone
SMILES: CC(=O)C1=CC=C(C=C1)OCC2=CC(=O)N3C=CSC3=N2
Compound: 1-(3-methoxyphenyl)-3-[[3-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiourea
SMILES: COC1=CC=CC(=C1)NC(=S)NNC(=O)CCN2C=C(C=N2)[N+](=O)[O-]
Compound: 4-cyano-N-methyl-N-[5-(2-pyridinyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILES: CN(C1=NN=C(S1)C2=CC=CC=N2)C(=O)C3=CC=C(C=C3)C#N
Compound: 1-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoline
SMILES: C1=CC=C2C(=C1)C=CC3=NN=C(N32)C4=C(C=CC=C4Cl)F
Compound: N-cyclopentyl-2-[(6-methoxy-3-methyl-2-quinolinyl)thio]acetamide
SMILES: CC1=C(N=C2C=CC(=CC2=C1)OC)SCC(=O)NC3CCCC3
Compound: 6-tert-butyl-N-(pyridin-4-ylmethylideneamino)-2,3-dihydro-1,4-benzodioxin-3-carboxamide
SMILES: CC(C)(C)C1=CC2=C(C=C1)OCC(O2)C(=O)NN=CC3=CC=NC=C3
Compound: N'-[2-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-4-methoxybenzohydrazide
SMILES: CCN1C(=NN=C1SCC(=O)NNC(=O)C2=CC=C(C=C2)OC)C3=CC=CO3
Compound: 5-amino-N-(2-methoxy-5-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-4-triazolecarboxamide
SMILES: CC1=CC(=C(C=C1)OC)NC(=O)C2=C(N(N=N2)CC3=CC(=CC=C3)C(F)(F)F)N
Compound: 2-(3-pyridinyl)-4-thiophen-2-ylthiazole
SMILES: C1=CC(=CN=C1)C2=NC(=CS2)C3=CC=CS3
Compound: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
SMILES: COC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)CC3=CC(=C(C=C3)OC)OC
Compound: N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)-2-tetrazolyl]-1-oxoethyl]-(2-furanylmethyl)amino]hexanamide
SMILES: CCCCC(C(=O)NC1CCCC1)N(CC2=CC=CO2)C(=O)CN3N=C(N=N3)C4=CC=C(C=C4)F
Compound: N-(5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide
SMILES: COC1=CC=C(C=C1)CC(=O)NC2=C(C=CC(=C2)Cl)O
Compound: 1-ethyl-2-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]benzimidazole
SMILES: CCN1C2=CC=CC=C2N=C1N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC
Compound: 2-chloro-N-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]acetamide
SMILES: CC1=CC=C(C=C1)C2=NN(C=C2NC(=O)CCl)C3=CC=CC=C3
Compound: LSM-32669
SMILES: CCN1CCCC1CNC2=[NH+]C=NC3=C2NC4=C3C=C(C=C4)F
Compound: 2-[(5-bromo-2-thiophenyl)sulfonyl-methylamino]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILES: CC1=CC2=C(C=C1)N=C(S2)NC(=O)CN(C)S(=O)(=O)C3=CC=C(S3)Br
Compound: N-[7-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methoxyacetamide
SMILES: COCC(=O)NC1=NC2=NC(CC(N2N1)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)OC
Compound: 3-fluorobenzoic acid [[amino-(4-methylphenyl)methylidene]amino] ester
SMILES: CC1=CC=C(C=C1)C(=NOC(=O)C2=CC(=CC=C2)F)N
Compound: 2-[4-(3-fluorophenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetonitrile
SMILES: CC1=NN(C(=O)N1C2=CC(=CC=C2)F)CC#N
Compound: 4-(1,4-dioxaspiro[4.11]hexadecan-3-ylmethyl)morpholine
SMILES: C1CCCCCC2(CCCCC1)OCC(O2)CN3CCOCC3
Compound: 1-(4-carbamoyl-2-nitrophenyl)-4-piperidinecarboxylic acid methyl ester
SMILES: COC(=O)C1CCN(CC1)C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]
Compound: 4-[(1H-benzimidazol-2-ylthio)methyl]-2-thiazolamine
SMILES: C1=CC=C2C(=C1)NC(=N2)SCC3=CSC(=N3)N
Compound: 6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILES: COC1=C(C=C2CN(CCC2=C1)C(=O)NC3=CC=CC=C3)OC
Compound: 2,4-difluoro-N-[[(5-methyl-1H-pyrazol-3-yl)amino]-oxomethyl]benzamide
SMILES: CC1=CC(=NN1)NC(=O)NC(=O)C2=C(C=C(C=C2)F)F
Compound: N-(3-acetylphenyl)-3-ethoxybenzamide
SMILES: CCOC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C(=O)C
Compound: 3-(2-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-propenamide
SMILES: CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C=CC2=CC=CC=C2Cl
Compound: 4-[[2-(4-ethyl-3-oxo-2-morpholinyl)-1-oxoethyl]amino]benzoic acid ethyl ester
SMILES: CCN1CCOC(C1=O)CC(=O)NC2=CC=C(C=C2)C(=O)OCC
Compound: LSM-32682
SMILES: CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSC2=[NH+]C3=C(C4=C(N3)C=CC(=C4)F)N=N2
Compound: 2-(1-naphthalenyl)-N-[2,2,2-trichloro-1-[[(2-chloroanilino)-sulfanylidenemethyl]amino]ethyl]acetamide
SMILES: C1=CC=C2C(=C1)C=CC=C2CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC3=CC=CC=C3Cl
Compound: 2-(2-furanyl)-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methyl-2-furanyl)-2-tetrazolyl]-1-oxoethyl]amino]-N-(2-oxolanylmethyl)acetamide
SMILES: CC1=CC=C(O1)C2=NN(N=N2)CC(=O)N(CC3=CC=C(C=C3)OC)C(C4=CC=CO4)C(=O)NCC5CCCO5
Compound: 2-cyano-N-(2,4-dimethylphenyl)-3-(3-thiophenyl)-2-propenamide
SMILES: CC1=CC(=C(C=C1)NC(=O)C(=CC2=CSC=C2)C#N)C
Compound: N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]-4-[(3,5-dimethyl-4-isoxazolyl)methoxy]-3-methoxybenzamide
SMILES: CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C3=CC(=C(C=C3)OCC4=C(ON=C4C)C)OC
Compound: 7-(2-methoxyethyl)-3-methyl-8-(phenylthio)purine-2,6-dione
SMILES: CN1C2=C(C(=O)NC1=O)N(C(=N2)SC3=CC=CC=C3)CCOC
Compound: 1-(3,4-dimethoxyphenyl)-3-[[2-(4-ethoxyphenyl)-1-oxoethyl]amino]thiourea
SMILES: CCOC1=CC=C(C=C1)CC(=O)NNC(=S)NC2=CC(=C(C=C2)OC)OC
Compound: 2-phenyl-4-quinolinecarboxylic acid [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] ester
SMILES: CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4
Compound: (3aR,6aS)-3-(3,4-dimethoxyphenyl)-5-(2,4-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d]isoxazole-4,6-dione
SMILES: CC1=CC(=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)ON=C3C4=CC(=C(C=C4)OC)OC)C
Compound: 4,7-dimethoxy-2,3-dihydroinden-1-one
SMILES: COC1=C2CCC(=O)C2=C(C=C1)OC
Compound: N-[5-[[2-(4-acetamidoanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-5-bromo-2-furancarboxamide
SMILES: CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=C(O3)Br
Compound: N-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)thio]acetamide
SMILES: CC1=CC=C(C=C1)SCC(=O)NCC2=CC=CC=C2C
Compound: 5-hydroxy-2-methyl-4-[1-piperidinyl(3-pyridinyl)methyl]-3-benzo[g]benzofurancarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C(C4=CN=CC=C4)N5CCCCC5)C
Compound: 4-[[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]-2-methoxyphenol
SMILES: CCC(C)(C)N1C(=NN=N1)C(C2=CC(=C(C=C2)O)OC)N3CCN(CC3)C4=NC5=CC=CC=C5S4
Compound: 4-(7-methoxy-1-benzofuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-ylpyrrolidine-2,3-dione
SMILES: CC1=CC(=NO1)N2C(C(C(=O)C2=O)C(=O)C3=CC4=C(O3)C(=CC=C4)OC)C5=CC=CS5
Compound: 4-(4-fluorophenyl)sulfonyl-2-(2-furanyl)-N-phenyl-5-oxazolamine
SMILES: C1=CC=C(C=C1)NC2=C(N=C(O2)C3=CC=CO3)S(=O)(=O)C4=CC=C(C=C4)F
Compound: 2-[(2-nitro-3-pyridinyl)oxy]-N-[2-(phenylthio)phenyl]acetamide
SMILES: C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)COC3=C(N=CC=C3)[N+](=O)[O-]
Compound: 2-amino-7-methyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile
SMILES: CC1CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3OC)OC)OC)C(=O)C1
Compound: 4-[(2-bromophenoxy)methyl]-N-[4-[(3,5-dimethyl-1-pyrazolyl)methyl]phenyl]benzamide
SMILES: CC1=CC(=NN1CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)COC4=CC=CC=C4Br)C
Compound: 2-[5-[(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)methylidene]-2,4-dioxo-3-thiazolidinyl]propanoic acid methyl ester
SMILES: CC1=CC(=C(N1C(C)C)C)C=C2C(=O)N(C(=O)S2)C(C)C(=O)OC
Compound: N-(3-cyano-2-thiophenyl)-2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]acetamide
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=C(C=CS3)C#N
Compound: N-[4-(2-methyl-4-thiazolyl)phenyl]benzamide
SMILES: CC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3
Compound: 2-[8-bromo-7-[(2-chlorophenyl)methyl]-3-methyl-2,6-dioxo-1-purinyl]acetic acid methyl ester
SMILES: CN1C2=C(C(=O)N(C1=O)CC(=O)OC)N(C(=N2)Br)CC3=CC=CC=C3Cl
Compound: N-[5-[[2-(4-acetamidoanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide
SMILES: CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)OC
Compound: 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)-(3-pyridinyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
SMILES: CC1(CC(=O)C(C(=O)C1)C(C2C(=O)CC(CC2=O)(C)C)C3=CN=CC=C3)C
Compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethyl-4-pyrazolecarboxamide
SMILES: CC1=C(C=NN1C)C(=O)NC2=CC3=C(C=C2)OCCO3
Compound: 2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-pyridinecarboxylic acid propan-2-yl ester
SMILES: CC(C)OC(=O)C1=C(N=CC=C1)SCC2=CC(=O)N3C=CC=CC3=N2
Compound: 1-(2-fluoro-5-nitrophenyl)-3-phenylurea
SMILES: C1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F
Compound: 2-furancarboxylic acid [3-[[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazinylidene]methyl]phenyl] ester
SMILES: C1OC2=C(O1)C=C(C=C2)C(=O)NN=CC3=CC(=CC=C3)OC(=O)C4=CC=CO4
Compound: LSM-32711
SMILES: C1=CC=NC(=C1)C2C(C(=O)C(=O)N2CC3=CN=CC=C3)C(=O)C4=CC=C(C=C4)Br
Compound: 4-hydroxy-2-oxo-1-pentyl-N-(2-pyridinylmethyl)-3-quinolinecarboxamide
SMILES: CCCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NCC3=CC=CC=N3)O
Compound: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(4-chlorophenoxy)-2-methylpropanamide
SMILES: CC(C)(C(=O)N[C@@H](CCSC)C1=NC2=CC=CC=C2N1)OC3=CC=C(C=C3)Cl
Compound: 1-hydroxy-5-nitro-N-(2-phenylethyl)-4-spiro[benzimidazole-2,1'-cyclohexane]imine
SMILES: C1CCC2(CC1)N=C3C(=CC=C(C3=NCCC4=CC=CC=C4)[N+](=O)[O-])N2O
Compound: 3-nitro-N-[[4-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide
SMILES: CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]
Compound: N-[2-(1-cyclohexenyl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
SMILES: CN(C1=CC=C(C=C1)C(=O)NCCC2=CCCCC2)S(=O)(=O)C
Compound: LSM-32717
SMILES: CN(C)CCN1C(C(C(=O)C1=O)C(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=CC=N4
Compound: 3-[6-(4-aminophenyl)-2-phenyl-4-pyrimidinyl]aniline
SMILES: C1=CC=C(C=C1)C2=NC(=CC(=N2)C3=CC(=CC=C3)N)C4=CC=C(C=C4)N
Compound: (3,5-dichlorophenyl)-[4-[2-(trifluoromethyl)-4-quinolinyl]-1-piperazinyl]methanone
SMILES: C1CN(CCN1C2=CC(=NC3=CC=CC=C32)C(F)(F)F)C(=O)C4=CC(=CC(=C4)Cl)Cl
Compound: 1-(2,5-dimethoxyphenyl)sulfonyl-N-(phenylmethyl)-4-piperidinecarboxamide
SMILES: COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3
Compound: N-(4-methoxyphenyl)carbamic acid [(1-tert-butyl-3,5-dimethyl-4-pyrazolyl)methylideneamino] ester
SMILES: CC1=C(C(=NN1C(C)(C)C)C)C=NOC(=O)NC2=CC=C(C=C2)OC
Compound: 5-[3-[[(4-methylphenyl)-oxomethyl]hydrazo]-2,5-dioxo-1-pyrrolidinyl]benzene-1,3-dicarboxylic acid dimethyl ester
SMILES: CC1=CC=C(C=C1)C(=O)NNC2CC(=O)N(C2=O)C3=CC(=CC(=C3)C(=O)OC)C(=O)OC
Compound: 3-[(2-fluorophenyl)methylideneamino]-5-phenyl-1H-imidazole-2-thione
SMILES: C1=CC=C(C=C1)C2=CN(C(=S)N2)N=CC3=CC=CC=C3F
Compound: N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-nitrobenzamide
SMILES: CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC3=C(CCC3)C=C2
Compound: 6-ethyl-6-methyl-5,8-dihydro-1H-thiopyrano[2,3]thieno[2,4-b]pyrimidine-2,4-dione
SMILES: CCC1(CC2=C(CS1)SC3=C2C(=O)NC(=O)N3)C
Compound: 3-methoxy-N-[[(2-oxo-1-benzopyran-6-yl)amino]-sulfanylidenemethyl]benzamide
SMILES: COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=O)C=C3
Compound: 1,7,7-trimethyl-4-[(2-methyl-2,3-dihydroindol-1-yl)-oxomethyl]-2-bicyclo[2.2.1]heptanone
SMILES: CC1CC2=CC=CC=C2N1C(=O)C34CCC(C3(C)C)(C(=O)C4)C
Compound: 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)-2-thieno[2,3-b]pyridinecarbonitrile
SMILES: COC1=CC=C(C=C1)C2=CC(=NC3=C2C(=C(S3)C#N)N)C4CC4
Compound: 1-(4-fluorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid [2-(methylamino)-2-oxoethyl] ester
SMILES: CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)NC)C3=CC=C(C=C3)F
Compound: 6-(bromomethyl)-1,3-dimethyl-5-[(4-nitrophenyl)-oxomethyl]pyrimidine-2,4-dione
SMILES: CN1C(=C(C(=O)N(C1=O)C)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])CBr
Compound: 1-(3,4-dichlorophenyl)sulfonyl-4-[3-[(4-methyl-1,2,4-triazol-3-yl)thio]-4-nitrophenyl]piperazine
SMILES: CN1C=NN=C1SC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl)[N+](=O)[O-]
Compound: 3-ethyl-2-[(4-oxo-1H-quinazolin-2-yl)methylthio]-4-quinazolinone
SMILES: CCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=CC=CC=C4N3
Compound: N-(4-tert-butyl-2-thiazolyl)-5-methyl-2-thiophenecarboxamide
SMILES: CC1=CC=C(S1)C(=O)NC2=NC(=CS2)C(C)(C)C
Compound: 6-methoxy-4-methyl-2-[(2-methylphenyl)methylthio]quinazoline
SMILES: CC1=CC=CC=C1CSC2=NC3=C(C=C(C=C3)OC)C(=N2)C
Compound: N-[3-(6-imidazo[2,1-b]thiazolyl)phenyl]butanamide
SMILES: CCCC(=O)NC1=CC=CC(=C1)C2=CN3C=CSC3=N2
Compound: (5-chloro-2-hydroxyphenyl)-[2-ethyl-3-(4-fluorophenyl)-6-pyrazolo[1,5-a]pyrimidinyl]methanone
SMILES: CCC1=NN2C=C(C=NC2=C1C3=CC=C(C=C3)F)C(=O)C4=C(C=CC(=C4)Cl)O
Compound: 3-(3,4-dimethoxyphenyl)-2-propenoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
SMILES: COC1=C(C=C(C=C1)C=CC(=O)OCC(=O)NCC2=CC=CO2)OC
Compound: 3-(2-ethylhexyl)-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-4-thiazolidinone
SMILES: CCCCC(CC)CN1C(=O)C(=CC2=C(NN=C2)C3=CC=CC=C3)SC1=S
Compound: N-[2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamide
SMILES: C1CN(CCN1C2=CC=CC=C2NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=C(C=C5)Cl
Compound: 2-(1H-benzimidazol-2-yl)-N-(2-furanylmethyl)-3-[3-(trifluoromethyl)phenyl]-2-propenamide
SMILES: C1=CC=C2C(=C1)NC(=N2)C(=CC3=CC(=CC=C3)C(F)(F)F)C(=O)NCC4=CC=CO4
Compound: 3-chloro-N-[3-(2-methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]-1-benzothiophene-2-carboxamide
SMILES: COCCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=C(C4=CC=CC=C4S3)Cl
Compound: 3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
SMILES: COC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN
Compound: 2-hydroxy-N-[[4-[(1-methyl-2-imidazolyl)thio]-3-nitrophenyl]methylideneamino]benzamide
SMILES: CN1C=CN=C1SC2=C(C=C(C=C2)C=NNC(=O)C3=CC=CC=C3O)[N+](=O)[O-]
Compound: 5-fluoro-3-[(4-methoxyphenyl)sulfonylamino]-1H-indole-2-carboxylic acid methyl ester
SMILES: COC1=CC=C(C=C1)S(=O)(=O)NC2=C(NC3=C2C=C(C=C3)F)C(=O)OC
Compound: 4-(2-methylphenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
SMILES: CC1=CC=CC=C1N2C(=NNC2=S)C3=CC=NC=C3
Compound: 2-(2-bromophenyl)-5-[(7-nitro-4-quinazolinyl)oxymethyl]-1,3,4-oxadiazole
SMILES: C1=CC=C(C(=C1)C2=NN=C(O2)COC3=NC=NC4=C3C=CC(=C4)[N+](=O)[O-])Br
Compound: [4-(2-methoxyphenyl)-1-piperazinyl]-[5-(4-methylphenyl)-3-isoxazolyl]methanone
SMILES: CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)N3CCN(CC3)C4=CC=CC=C4OC
Compound: N-(4-fluorophenyl)-2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-oxoacetamide
SMILES: CC1=NN(C(=O)C1C(=O)C(=O)NC2=CC=C(C=C2)F)C3=CC=CC=C3
Compound: [1-[1-[[5-(2-methylpropyl)-1H-pyrazol-3-yl]-oxomethyl]-4-piperidinyl]-4-piperidinyl]-(4-morpholinyl)methanone
SMILES: CC(C)CC1=CC(=NN1)C(=O)N2CCC(CC2)N3CCC(CC3)C(=O)N4CCOCC4
Compound: 4-chloro-N-(2,5-dichlorophenyl)-2-ethyl-3-pyrazolecarboxamide
SMILES: CCN1C(=C(C=N1)Cl)C(=O)NC2=C(C=CC(=C2)Cl)Cl
Compound: 2-amino-5-(1-benzotriazolyl)-6-methyl-4-phenyl-4H-pyran-3-carbonitrile
SMILES: CC1=C(C(C(=C(O1)N)C#N)C2=CC=CC=C2)N3C4=CC=CC=C4N=N3
Compound: 5-[(3-phenylmethoxy-1-piperidinyl)methyl]-3-(phenylmethyl)-1,2,4-oxadiazole
SMILES: C1CC(CN(C1)CC2=NC(=NO2)CC3=CC=CC=C3)OCC4=CC=CC=C4
Compound: N-(1,3-benzodioxol-5-yl)-2-(3-methyl-1-piperidinyl)-2-phenylacetamide
SMILES: CC1CCCN(C1)C(C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCO4
Compound: 3-(2-furanylmethyl)-2-phenyl-1,2-dihydroquinazolin-4-one
SMILES: C1=CC=C(C=C1)C2NC3=CC=CC=C3C(=O)N2CC4=CC=CO4
Compound: 1-(4-methyl-2-phenyl-5-thiazolyl)ethanone oxime
SMILES: CC1=C(SC(=N1)C2=CC=CC=C2)C(=NO)C
Compound: 2-(2-bromo-4-tert-butylphenoxy)-N-(2-furanylmethyl)acetamide
SMILES: CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NCC2=CC=CO2)Br
Compound: 2,3-dimethyl-6-quinoxalinecarboxylic acid (2-bromophenyl)methyl ester
SMILES: CC1=NC2=C(C=C(C=C2)C(=O)OCC3=CC=CC=C3Br)N=C1C
Compound: 5-chloro-4-(4-methylphenyl)sulfonyl-N-phenyl-2-thiazolamine
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=N2)NC3=CC=CC=C3)Cl
Compound: 6-phenyl-4-(1-pyrrolyl)furo[2,3-d]pyrimidine
SMILES: C1=CC=C(C=C1)C2=CC3=C(N=CN=C3O2)N4C=CC=C4
Compound: (4-chlorophenyl)-[6,7-dichloro-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-3-benzofuranyl]methanone
SMILES: CC1=C(C2=C(C(=C(C(=C2O1)Cl)Cl)O)CN(C)C)C(=O)C3=CC=C(C=C3)Cl
Compound: N-[4-(diethylsulfamoyl)phenyl]-4-(4-morpholinylmethyl)benzamide
SMILES: CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCOCC3
Compound: N-[5-[2-(2-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]-2-methylpentanamide
SMILES: CCCC(C)C(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=CC=CC=C3OC)C
Compound: 2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-4-thiazolidinone
SMILES: COC1=CC=C(C=C1)N2C(SCC2=O)C3=C(C(=CC=C3)OC)OC
Compound: 3-[(4-methoxyphenyl)methyl]-N-(3-methoxypropyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILES: COCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=O)N2)CC3=CC=C(C=C3)OC
Compound: N'-[[1-[2-(4-fluorophenyl)ethyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-4-pyridinecarbohydrazide
SMILES: C1=CC(=CC=C1CCN2C(=O)C(=CNNC(=O)C3=CC=NC=C3)C(=O)NC2=O)F
Compound: 3-[(2-pyridinylamino)methylidene]-3,4-dihydro-2H-1-benzopyran-2,4-dione
SMILES: C1=CC=C2C(=C1)C(=O)C(=CNC3=CC=CC=N3)C(=O)O2
Compound: 2-[[5-[(2-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester
SMILES: CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CNC3=CC=CC=C3Cl
Compound: 5-[(4-chlorophenyl)methylthio]-1,3,4-thiadiazol-2-amine
SMILES: C1=CC(=CC=C1CSC2=NN=C(S2)N)Cl
Compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[1-(3,4-dimethoxyphenyl)-5-tetrazolyl]thio]acetamide
SMILES: COC1=C(C=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC4=C(C=C3)OCCO4)OC
Compound: 2-(4-benzofuro[3,2-d]pyrimidinylthio)-1-thiophen-2-ylethanone
SMILES: C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)SCC(=O)C4=CC=CS4
Compound: 1-(4-fluorophenyl)-3-(2-methoxy-3-dibenzofuranyl)urea
SMILES: COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)NC4=CC=C(C=C4)F
Compound: 3-[(6-methoxy-4-methyl-2-quinolinyl)thio]propanoic acid
SMILES: CC1=CC(=NC2=C1C=C(C=C2)OC)SCCC(=O)O
Compound: 2-(1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)thio]-5-methyl-3-pyrazolamine
SMILES: CC1=NN(C(=C1SC2=CC=C(C=C2)F)N)C3=NC4=CC=CC=C4S3
Compound: 5-[[[(5-tert-butyl-2-methyl-3-furanyl)-oxomethyl]amino]methyl]-2-furancarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=CC=C(O1)CNC(=O)C2=C(OC(=C2)C(C)(C)C)C
Compound: N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]cyclopropanecarboxamide
SMILES: COC1=CC2=C(C=C1)C=C(C(=O)N2)CCNC(=O)C3CC3
Compound: N-[[3-chloro-2-(1-piperidinyl)anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide
SMILES: C1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC=CS3
Compound: 2-(2,5-dichlorophenyl)sulfonyl-N-methyl-N-[(2-methylphenyl)methyl]ethanamine
SMILES: CC1=CC=CC=C1CN(C)CCS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl
Compound: 5-(1-acetyl-2-oxo-3-indolylidene)-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-sulfanylidene-4-thiazolidinone
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C(=C4C5=CC=CC=C5N(C4=O)C(=O)C)SC3=S
Compound: N-(3-chlorophenyl)-2-[6,7-dimethoxy-2,4-dioxo-3-(2-oxolanylmethyl)-1-quinazolinyl]acetamide
SMILES: COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2CC(=O)NC3=CC(=CC=C3)Cl)CC4CCCO4)OC
Compound: 3-[5-[(5-imino-7-oxo-3-phenyl-6-thiazolo[3,2-a]pyrimidinylidene)methyl]-2-furanyl]benzoic acid
SMILES: C1=CC=C(C=C1)C2=CSC3=NC(=O)C(=CC4=CC=C(O4)C5=CC(=CC=C5)C(=O)O)C(=N)N23
Compound: 5H-phenanthridine-6-thione
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3NC2=S
Compound: N-cyclohexyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-furancarboxamide
SMILES: COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCCC3)C(=O)C4=CC=CO4
Compound: 1-[2-(diethylamino)ethyl]-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-3-(2-oxolanylmethyl)thiourea
SMILES: CCN(CC)CCN(CC1=CC2=CC3=C(C=C2NC1=O)OCCO3)C(=S)NCC4CCCO4
Compound: [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-[4-(1-piperidinylsulfonyl)phenyl]methanone
SMILES: C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C3=NN=C(O3)C4=CC=C(C=C4)Cl
Compound: 2-oxo-1H-pyridine-3-carboxylic acid [2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl] ester
SMILES: CCCN1C(=CC(=C1C)C(=O)COC(=O)C2=CC=CNC2=O)C
Compound: 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid (4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl) ester
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)OC2=CC3=C(C=C2)C4=C(CCC4)C(=O)O3
Compound: N-(4-anilinophenyl)-2,2,2-trichloroacetamide
SMILES: C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C(Cl)(Cl)Cl
Compound: N-[(1,5-dimethyl-2-pyrrolyl)methyl]-1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxamide
SMILES: CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CC=C(N3C)C
Compound: 1-(2-fluorophenyl)-3-[[1-[(4-fluorophenyl)methyl]-2-oxo-3-indolylidene]amino]thiourea
SMILES: C1=CC=C2C(=C1)C(=NNC(=S)NC3=CC=CC=C3F)C(=O)N2CC4=CC=C(C=C4)F
Compound: 3-chloro-4-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-N,N-dimethylbenzenesulfonamide
SMILES: CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)Cl
Compound: 2-[(4-methylphenoxy)methyl]imidazo[1,2-a]pyrimidine
SMILES: CC1=CC=C(C=C1)OCC2=CN3C=CC=NC3=N2
Compound: 1-(cycloheptylideneamino)-3-(4-fluorophenyl)thiourea
SMILES: C1CCCC(=NNC(=S)NC2=CC=C(C=C2)F)CC1
Compound: 2-[(5-butyl-1H-1,2,4-triazol-3-yl)thio]-N-(4-sulfamoylphenyl)acetamide
SMILES: CCCCC1=NC(=NN1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N
Compound: 2-[4-[4-(4-fluorophenyl)-2-thiazolyl]-1-piperazinyl]-1-[4-(4-methoxyphenyl)-1-piperazinyl]ethanone
SMILES: COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3CCN(CC3)C4=NC(=CS4)C5=CC=C(C=C5)F
Compound: 1-[1-[(4-hydroxy-1-piperidinyl)-oxomethyl]cyclohexyl]-3-(2-methoxyphenyl)urea
SMILES: COC1=CC=CC=C1NC(=O)NC2(CCCCC2)C(=O)N3CCC(CC3)O
Compound: 3-amino-4-(1,3-benzothiazol-2-yl)-N-(3-chloro-2-methylphenyl)-5-phenylimino-2H-thiophene-2-carboxamide
SMILES: CC1=C(C=CC=C1Cl)NC(=O)C2C(=C(C(=NC3=CC=CC=C3)S2)C4=NC5=CC=CC=C5S4)N
Compound: 2-[(6-butoxy-3-pyridinyl)amino]-4-chlorobenzoic acid
SMILES: CCCCOC1=NC=C(C=C1)NC2=C(C=CC(=C2)Cl)C(=O)O
Compound: 3-(1,3-benzodioxol-5-yl)-N-(4-phenyl-2-thiazolyl)-2-propenamide
SMILES: C1OC2=C(O1)C=C(C=C2)C=CC(=O)NC3=NC(=CS3)C4=CC=CC=C4
Compound: 4-bromo-N-[(4-ethoxy-2-nitroanilino)-sulfanylidenemethyl]-2-methyl-3-pyrazolecarboxamide
SMILES: CCOC1=CC(=C(C=C1)NC(=S)NC(=O)C2=C(C=NN2C)Br)[N+](=O)[O-]
Compound: 4-chlorobenzoic acid 2-(2-amino-3-cyano-1-pyrrolo[3,2-b]quinoxalinyl)ethyl ester
SMILES: C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)CCOC(=O)C4=CC=C(C=C4)Cl)N)C#N
Compound: 6-methyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-4-one
SMILES: CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)OC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]
Compound: N-(4,5-dithiophen-2-yl-2-thiazolyl)-2-methyl-1-cyclopropanecarboxamide
SMILES: CC1CC1C(=O)NC2=NC(=C(S2)C3=CC=CS3)C4=CC=CS4
Compound: 5-[(4-methoxyphenyl)sulfonylmethyl]-N-(3-methoxypropyl)-2-furancarboxamide
SMILES: COCCCNC(=O)C1=CC=C(O1)CS(=O)(=O)C2=CC=C(C=C2)OC
Compound: 2-amino-6-methyl-4-(3-pyridinyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILES: CC1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CN=CC=C3
Compound: 2-(2-cyclohexylidenehydrazinyl)-1-cyclohepta-2,4,6-trienone
SMILES: C1CCC(=NNC2=CC=CC=CC2=O)CC1
Compound: N-[4-[(1,2-dimethyl-5-indolyl)methylsulfamoyl]phenyl]acetamide
SMILES: CC1=CC2=C(N1C)C=CC(=C2)CNS(=O)(=O)C3=CC=C(C=C3)NC(=O)C
Compound: 3-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-5-methylphenyl)-4,5-dihydroisoxazole-5-carboxamide
SMILES: CC1=CC(=C(C=C1)O)NC(=O)C2CC(=NO2)C3=C(C=CC=C3Cl)F
Compound: N-[4-[[anilino(sulfanylidene)methyl]amino]-2,5-diethoxyphenyl]-4-methoxybenzamide
SMILES: CCOC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)OC)OCC)NC(=S)NC3=CC=CC=C3
Compound: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-methylbenzamide
SMILES: CC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C#N
Compound: 5-amino-1-[(3-methoxyphenyl)methyl]-N-(4-methylphenyl)-4-triazolecarboxamide
SMILES: CC1=CC=C(C=C1)NC(=O)C2=C(N(N=N2)CC3=CC(=CC=C3)OC)N
Compound: 5,5-dioxo-1-(4-phenoxyphenyl)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one
SMILES: C1C2CS(=O)(=O)CC2N(C1=O)C3=CC=C(C=C3)OC4=CC=CC=C4
Compound: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester
SMILES: C1CC1NC(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4
Compound: 2-[[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile
SMILES: CC1=NN=C(N1C2=CC=CC=C2)SCC3=CC=CC=C3C#N
Compound: 2-(1,3-benzoxazol-2-ylthio)-1-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
SMILES: CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NC4=CC=CC=C4O3)C5=CC=CS5
Compound: N-[1-[4-(1-imidazolyl)phenyl]ethylideneamino]-2-(4-methyl-2-propan-2-ylphenoxy)acetamide
SMILES: CC1=CC(=C(C=C1)OCC(=O)NN=C(C)C2=CC=C(C=C2)N3C=CN=C3)C(C)C
Compound: 2-[[2-(3,4-dimethoxyphenyl)-5-methyl-4-oxazolyl]methylthio]-1-(4-ethyl-1-piperazinyl)ethanone
SMILES: CCN1CCN(CC1)C(=O)CSCC2=C(OC(=N2)C3=CC(=C(C=C3)OC)OC)C
Compound: 8-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=CN=C2C=C(C=CN2C1=O)C
Compound: N-[3-(dimethylsulfamoyl)phenyl]-2-(4-quinazolinylthio)acetamide
SMILES: CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CSC2=NC=NC3=CC=CC=C32
Compound: 1-(2-fluorophenyl)-3-[[2-oxo-1-(phenylmethyl)-3-indolylidene]amino]thiourea
SMILES: C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=NNC(=S)NC4=CC=CC=C4F)C2=O
Compound: 2-[(4-chlorophenyl)thio]-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide
SMILES: CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C)SC3=CC=C(C=C3)Cl)C
Compound: 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(2-sulfamoylphenyl)-3-quinolinecarboxamide
SMILES: CC(C)CN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=CC=C3S(=O)(=O)N)O
Compound: 3-(5,7-diphenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-propanol
SMILES: C1=CC=C(C=C1)C2C=C(N=C3N2NC(=N3)CCCO)C4=CC=CC=C4
Compound: 5-[[2-[(4-methyl-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)methoxy]phenyl]methylidene]-2-sulfanylidene-4-imidazolidinone
SMILES: CC1=NO[N+](=C1COC2=CC=CC=C2C=C3C(=O)NC(=S)N3)[O-]
Compound: 5-(phenylmethyl)-3-(2-pyridinyl)-1,2,4-oxadiazole
SMILES: C1=CC=C(C=C1)CC2=NC(=NO2)C3=CC=CC=N3
Compound: 1'-acetyl-6-[2-(4-ethyl-1-piperazinyl)-2-oxoethoxy]-4-spiro[3,4-dihydro-2H-1-benzopyran-2,4'-piperidine]one
SMILES: CCN1CCN(CC1)C(=O)COC2=CC3=C(C=C2)OC4(CCN(CC4)C(=O)C)CC3=O
Compound: 1-(4-fluorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
SMILES: COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F
Compound: 6-ethoxy-3-[[2-furanylmethyl-[[1-(phenylmethyl)-5-tetrazolyl]methyl]amino]methyl]-1H-quinolin-2-one
SMILES: CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CO3)CC4=NN=NN4CC5=CC=CC=C5
Compound: N-(2-furanylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide
SMILES: C1=COC(=C1)CNC(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CS4)C(F)(F)F
Compound: N-(1H-indazol-6-yl)-2,4-dimethoxybenzamide
SMILES: COC1=CC(=C(C=C1)C(=O)NC2=CC3=C(C=C2)C=NN3)OC
Compound: N-(2-methylpropyl)-4-(phenylmethyl)-1-piperidinecarbothioamide
SMILES: CC(C)CNC(=S)N1CCC(CC1)CC2=CC=CC=C2
Compound: N-(3-hydroxyphenyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide
SMILES: C1=CC(=CC(=C1)O)NC(=O)C2=C3N=CC=CN3N=C2
Compound: N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-3,4,5-trimethoxybenzamide
SMILES: CCC1=NC(=NO1)CNC(=O)C2=CC(=C(C(=C2)OC)OC)OC
Compound: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-methyl-2-(4-methylphenyl)-4-oxazolyl]methylsulfonyl]ethanone
SMILES: CC1=CC=C(C=C1)C2=NC(=C(O2)C)CS(=O)(=O)CC(=O)N3CCC4=CC=CC=C4C3
Compound: N-[2-(4-acetyl-1-piperazinyl)phenyl]-2-(2,4-dichlorophenoxy)acetamide
SMILES: CC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)COC3=C(C=C(C=C3)Cl)Cl
Compound: 2-(4-ethylphenyl)-N-(4-methyl-1-piperazinyl)-4-quinolinecarboxamide
SMILES: CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN4CCN(CC4)C
Compound: 2-(1-naphthalenyl)acetic acid [[amino-(4-methylphenyl)methylidene]amino] ester
SMILES: CC1=CC=C(C=C1)C(=NOC(=O)CC2=CC=CC3=CC=CC=C32)N
Compound: N-(3,4-dichlorophenyl)-2-[4-(4-methoxyphenyl)-1-oxo-2-phthalazinyl]acetamide
SMILES: COC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)NC4=CC(=C(C=C4)Cl)Cl
Compound: 2-(phenylmethylthio)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILES: C1CC2=NC(=CN2C1)SCC3=CC=CC=C3
Compound: 6-thiophen-2-yl-6,12-dihydrobenzimidazolo[1,2-c]quinazoline
SMILES: C1=CC=C2C(=C1)NC3=C4C=CC=CC4=NC(N23)C5=CC=CS5
Compound: 2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxo-3-pyrrolo[3,4-d]pyridazinyl]-N-(2,3,5,6-tetrafluorophenyl)acetamide
SMILES: CC1=C2C=NN(C(=O)C2=C(N1CC3=CC=CC=C3F)C)CC(=O)NC4=C(C(=CC(=C4F)F)F)F
Compound: 3-(3-chlorophenyl)azo-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
SMILES: CC1=CC(=NC2=C(C(=O)NN12)N=NC3=CC(=CC=C3)Cl)C
Compound: 1-cyclohexyl-2-(1H-imidazol-2-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILES: C1CCC(CC1)C2C3=C(CCN2CC4=NC=CN4)C5=CC=CC=C5N3
Compound: 2-amino-4-(cyanomethyl)-6-(N-methylanilino)pyridine-3,5-dicarbonitrile
SMILES: CN(C1=CC=CC=C1)C2=C(C(=C(C(=N2)N)C#N)CC#N)C#N
Compound: 1-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-phenylthiourea
SMILES: CC(C1COC2=CC=CC=C2O1)NC(=S)NC3=CC=CC=C3
Compound: 1-(2-furanyl)-N-[[1-[(4-methylphenyl)sulfonylmethyl]-5-tetrazolyl]methyl]-N-(thiophen-2-ylmethyl)methanamine
SMILES: CC1=CC=C(C=C1)S(=O)(=O)CN2C(=NN=N2)CN(CC3=CC=CO3)CC4=CC=CS4
Compound: N-(5-acetyl-4-methyl-2-thiazolyl)-2-methylbenzamide
SMILES: CC1=CC=CC=C1C(=O)NC2=NC(=C(S2)C(=O)C)C
Compound: 1-butyl-3-[[oxo-(5-propan-2-yl-3-thiophenyl)methyl]amino]thiourea
SMILES: CCCCNC(=S)NNC(=O)C1=CSC(=C1)C(C)C
Compound: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2S,4S)-4-(1-benzothiophen-3-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-yl]methanone
SMILES: C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C[C@H](C[C@H](O4)OCC5=CC=C(C=C5)CO)C6=CSC7=CC=CC=C76
Compound: N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxin-6-carboxamide
SMILES: C1COC2=C(O1)C=CC(=C2)C(=O)NN=CC3=CC4=C(C=C3Cl)OCO4
Compound: 4-[(1,3-diphenyl-4-pyrazolyl)methylideneamino]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
SMILES: C1=CC=C(C=C1)C2=NN(C=C2C=NN3C(=NNC3=S)C4=CC=CS4)C5=CC=CC=C5
Compound: 3-(1-piperidinylsulfonyl)-N-(2-thiazolyl)benzamide
SMILES: C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC=CS3
Compound: 3-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[1-(2-oxolanylmethyl)-5-tetrazolyl]methyl]-5,7-dimethyl-1H-quinolin-2-one
SMILES: CC1=CC(=C2C=C(C(=O)NC2=C1)C(C3=NN=NN3CC4CCCO4)N5CCN6CCCC6C5)C
Compound: 3-[1-(4-bromophenyl)ethylideneamino]-2-sulfanylidene-4-thiazolidinone
SMILES: CC(=NN1C(=O)CSC1=S)C2=CC=C(C=C2)Br
Compound: N-(3-nitrophenyl)-1,3-benzodioxole-5-carboxamide
SMILES: C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]
Compound: 2-furanyl-[4-(4-phenoxyphenyl)sulfonyl-1-piperazinyl]methanone
SMILES: C1CN(CCN1C(=O)C2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4
Compound: N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(2-hydroxyphenyl)methyl]-4-piperidinecarboxamide
SMILES: CC(C)(CNC(=O)C1CCN(CC1)CC2=CC=CC=C2O)CN(C)C
Compound: 2-[(4-chloroanilino)methylidene]-5-phenylcyclohexane-1,3-dione
SMILES: C1C(CC(=O)/C(=C\NC2=CC=C(C=C2)Cl)/C1=O)C3=CC=CC=C3
Compound: 3-butyl-8-(2-fluorophenyl)-7-(phenylmethyl)purine-2,6-dione
SMILES: CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CC=C3F)CC4=CC=CC=C4
Compound: LSM-32859
SMILES: COC1=CC=CC=C1CNC2=[NH+]C=NC3=C2NC=N3
Compound: 7-chloro-2-methyl-4-(4-methylphenyl)sulfonylthiazolo[5,4-b]indole
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)Cl)C4=C2SC(=N4)C
Compound: 4,5-dimethyl-2-[[2-(6-methyl-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)C4=CC=CC=C4
Compound: N-[[(4-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-3-phenyl-2-propenamide
SMILES: CC1=CC(=NC=C1)NC(=S)NC(=O)C=CC2=CC=CC=C2
Compound: 1-amino-2-(4-bromophenyl)-4,5-dihydro-3aH-pyrrolo[1,2-a]quinolin-3-one
SMILES: C1CC2=CC=CC=C2N3C1C(=O)C(=C3N)C4=CC=C(C=C4)Br
Compound: 4-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=NC=C2
Compound: 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-triazolecarboxamide
SMILES: COC1=C(C=C(C=C1)CCNC(=O)C2=C(N(N=N2)C3=CC4=C(C=C3)OCCO4)N)OC
Compound: 6-(4,5-dihydrothiazol-2-ylthio)-N2,N4-bis(2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILES: CC1=CC=CC=C1NC2=NC(=NC(=N2)SC3=NCCS3)NC4=CC=CC=C4C
Compound: 2-(3,5-dimethyl-1-pyrazolyl)-N,6-dimethyl-4-pyrimidinamine
SMILES: CC1=CC(=NC(=N1)N2C(=CC(=N2)C)C)NC
Compound: 1-[4-[(2-bromophenyl)-oxomethyl]-1H-pyrrol-2-yl]-2,2,2-trichloroethanone
SMILES: C1=CC=C(C(=C1)C(=O)C2=CNC(=C2)C(=O)C(Cl)(Cl)Cl)Br
Compound: 5-(1-imidazolylsulfonyl)-8-methoxyquinoline
SMILES: COC1=C2C(=C(C=C1)S(=O)(=O)N3C=CN=C3)C=CC=N2
Compound: 4-(phenylmethyl)-N-prop-2-enyl-1-piperidinecarbothioamide
SMILES: C=CCNC(=S)N1CCC(CC1)CC2=CC=CC=C2
Compound: N-[(3-nitrophenyl)methylideneamino]-2-benzofurancarboxamide
SMILES: C1=CC=C2C(=C1)C=C(O2)C(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-]
Compound: 2-[5-[(3,4-diethoxyphenyl)methylidene]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1-imidazolidinyl]acetic acid methyl ester
SMILES: CCOC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)N2CC(=O)OC)C3=CC=C(C=C3)OC)OCC
Compound: 4-ethoxy-2,3,5-trimethyl-N-(3-pyridinylmethyl)benzenesulfonamide
SMILES: CCOC1=C(C(=C(C=C1C)S(=O)(=O)NCC2=CN=CC=C2)C)C
Compound: N-phenylcarbamic acid [5-(2-chlorophenyl)-3-isoxazolyl]methyl ester
SMILES: C1=CC=C(C=C1)NC(=O)OCC2=NOC(=C2)C3=CC=CC=C3Cl
Compound: 3-(2-methoxyphenyl)-2-phenylbenzo[g]quinoxaline
SMILES: COC1=CC=CC=C1C2=NC3=CC4=CC=CC=C4C=C3N=C2C5=CC=CC=C5
Compound: 2-cyano-3-[2,5-dimethyl-1-(3-pyridinyl)-3-pyrrolyl]-N-phenyl-2-propenamide
SMILES: CC1=CC(=C(N1C2=CN=CC=C2)C)C=C(C#N)C(=O)NC3=CC=CC=C3
Compound: 5-(2,3-dihydroindol-1-ylsulfonyl)-1,3-diethyl-2-benzimidazolone
SMILES: CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43)N(C1=O)CC
Compound: N6-ethyl-N4-propan-2-yl-N2-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILES: CCNC1=NC(=NC(=N1)NN2C=NN=C2)NC(C)C
Compound: 2-methoxy-6-[2-(1H-pyridin-2-ylidene)ethylidene]-1-cyclohexa-2,4-dienone
SMILES: COC1=CC=CC(=CC=C2C=CC=CN2)C1=O
Compound: N-[2-(4-acetyl-1-piperazinyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILES: CC1=CC(=C(C=C1)C(C)C)OCC(=O)NC2=CC=CC=C2N3CCN(CC3)C(=O)C
Compound: N-[3-[2,5-dioxo-3-(phenylmethyl)-1-pyrrolidinyl]phenyl]acetamide
SMILES: CC(=O)NC1=CC=CC(=C1)N2C(=O)CC(C2=O)CC3=CC=CC=C3
Compound: 2-[2-(benzenesulfonylimino)-4-oxo-3-phenyl-5-thiazolidinyl]-N-(3-methoxyphenyl)acetamide
SMILES: COC1=CC=CC(=C1)NC(=O)CC2C(=O)N(C(=NS(=O)(=O)C3=CC=CC=C3)S2)C4=CC=CC=C4
Compound: 4-[4-[[1-[(4-methoxyphenyl)methyl]-5-tetrazolyl]-(3-pyridinyl)methyl]-1-piperazinyl]phenol
SMILES: COC1=CC=C(C=C1)CN2C(=NN=N2)C(C3=CN=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)O
Compound: 6-[2-(1-azepanyl)-2-oxoethoxy]-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one
SMILES: CC1(CC(=O)C2=C(O1)C=CC(=C2)OCC(=O)N3CCCCCC3)C
Compound: 2-bromo-N-[4-(4-methyl-1-piperazinyl)phenyl]benzamide
SMILES: CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Br
Compound: 3-[(4-fluorophenyl)methylthio]-6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILES: C1=CC(=CC=C1CSC2=NN=C3N2N=C(C=C3)C4=CC=NC=C4)F
Compound: N-[(3,5-dimethoxyphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine
SMILES: COC1=C(C(=C(C=C1)CNCC2=CC(=CC(=C2)OC)OC)OC)OC
Compound: 2-phenylbutanoic acid [2-oxo-2-(2-phenylanilino)ethyl] ester
SMILES: CCC(C1=CC=CC=C1)C(=O)OCC(=O)NC2=CC=CC=C2C3=CC=CC=C3
Compound: 4-[[2-furanyl(oxo)methyl]amino]benzoic acid propan-2-yl ester
SMILES: CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CO2
Compound: 2-[2,5-dimethyl-3-(1,2,4-triazol-4-yliminomethyl)-1-pyrrolyl]-4,5-dimethyl-3-thiophenecarbonitrile
SMILES: CC1=CC(=C(N1C2=C(C(=C(S2)C)C)C#N)C)C=NN3C=NN=C3
Compound: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxo-1-imidazolidinyl]acetamide
SMILES: CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NC3=CC=C(C=C3)C4=NC5=C(S4)C=C(C=C5)C)C
Compound: 2-(3,5-dinitrophenyl)-3-(2-phenylethyl)imidazo[4,5-b]quinoxaline
SMILES: C1=CC=C(C=C1)CCN2C(=NC3=NC4=CC=CC=C4N=C32)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-]
Compound: 9-methyl-4-oxo-2-(1-piperidinyl)-3-pyrido[1,2-a]pyrimidinecarboxaldehyde oxime
SMILES: CC1=CC=CN2C1=NC(=C(C2=O)C=NO)N3CCCCC3
Compound: N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]butanamide
SMILES: CCCC(=O)NC(=S)NC1=C(C(=CC=C1)Cl)N2CCCC2
Compound: 3-(2-furanylmethyl)-4-oxo-N,N-dipropyl-2-sulfanylidene-1H-quinazoline-7-carboxamide
SMILES: CCCN(CCC)C(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=CO3
Compound: 4-chloro-6-[4-[(4-methylphenyl)-oxomethyl]-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone
SMILES: CC1=CC=C(C=C1)C(=O)C2=CNNC2=C3C=C(C=CC3=O)Cl
Compound: 4-[5-(4-morpholinylsulfonyl)-2-thiophenyl]-3-phenyl-2H-furan-5-one
SMILES: C1COCCN1S(=O)(=O)C2=CC=C(S2)C3=C(COC3=O)C4=CC=CC=C4
Compound: N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-2-carboxamide
SMILES: C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)C3=NC4=CC=CC=C4S3
Compound: 5-(2-chlorophenyl)-N-phenyl-2-furancarboxamide
SMILES: C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)C3=CC=CC=C3Cl
Compound: 4-[2-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]-N-(phenylmethyl)butanamide
SMILES: CC1=CC(=NN1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4=CC=CC=C4
Compound: N-(3-isoxazolyl)-3-nitro-4-(1-piperidinyl)benzamide
SMILES: C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NOC=C3)[N+](=O)[O-]
Compound: N-[5-[(2-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
SMILES: CC1=CC=CC=C1CSC2=NN=C(S2)NC(=O)CC3=CC=CS3
Compound: N-(2,3-dimethylphenyl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
SMILES: CC1=C(C(=CC=C1)NC(=O)C2=NC(=C3C(=C2)C4=CC=CC=C4N3)C)C
Compound: 2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-(4-cyanoanilino)-2-oxoethyl] ester
SMILES: C1COC(=CO1)C(=O)OCC(=O)NC2=CC=C(C=C2)C#N
Compound: 4-hydroxy-N-[[2-oxo-1-(3-oxo-1H-isobenzofuran-1-yl)-3-indolylidene]amino]benzamide
SMILES: C1=CC=C2C(=C1)C(OC2=O)N3C4=CC=CC=C4C(=NNC(=O)C5=CC=C(C=C5)O)C3=O
Compound: 2-[[2-[(4-methoxyphenyl)methylideneamino]oxy-1-oxoethyl]-(phenylmethyl)amino]benzoic acid
SMILES: COC1=CC=C(C=C1)C=NOCC(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3C(=O)O
Compound: 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[[5-methyl-2-(2-methylphenyl)-4-oxazolyl]methylsulfinyl]ethanone
SMILES: CC1=CC=CC=C1C2=NC(=C(O2)C)CS(=O)CC(=O)N3CCC4(CC3)OCCO4
Compound: LSM-32908
SMILES: CC(=NNC1=NC2=CC=CC=C2S1)CC(=O)C3=CC=CC=C3
Compound: N-[4-[[1-(2-furanylmethyl)-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)CC3=CC=CO3
Compound: 2-[[4-phenyl-5-(propylthio)-1,2,4-triazol-3-yl]methylthio]-1,3-benzothiazole
SMILES: CCCSC1=NN=C(N1C2=CC=CC=C2)CSC3=NC4=CC=CC=C4S3
Compound: 6-(4-bromophenyl)-2-methyl-3-pyridinecarboxylic acid
SMILES: CC1=C(C=CC(=N1)C2=CC=C(C=C2)Br)C(=O)O
Compound: 2-[[2-(cyclohexylamino)-2-oxoethyl]thio]benzoic acid [2-(cyclohexylamino)-2-oxoethyl] ester
SMILES: C1CCC(CC1)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC3CCCCC3
Compound: N-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1-prop-2-enyl-3-quinolinecarboxamide
SMILES: C=CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NCC3=CC=C(C=C3)Cl)O
Compound: 1-(2,3-dihydroindol-1-yl)-2-[(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)thio]ethanone
SMILES: CC1(CC2=CC=CC=C2C3=NN=C(N31)SCC(=O)N4CCC5=CC=CC=C54)C
Compound: 4-[[3-methoxycarbonyl-5-methyl-4-(4-propan-2-ylphenyl)-2-thiophenyl]amino]-4-oxo-2-butenoic acid
SMILES: CC1=C(C(=C(S1)NC(=O)C=CC(=O)O)C(=O)OC)C2=CC=C(C=C2)C(C)C
Compound: 2-[3-[3-[3-(1-imidazolyl)propyl]-4-oxo-2-quinazolinyl]propyl]isoindole-1,3-dione
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC3=NC4=CC=CC=C4C(=O)N3CCCN5C=CN=C5
Compound: 4-(4-chlorophenyl)-N-(3-pyridinylmethyl)-6-(trifluoromethyl)-2-pyrimidinamine
SMILES: C1=CC(=CN=C1)CNC2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)Cl
Compound: 5-[2-(4-fluoroanilino)ethenyl]-3-(methylthio)-4-isothiazolecarbonitrile
SMILES: CSC1=NSC(=C1C#N)C=CNC2=CC=C(C=C2)F
Compound: 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetic acid propyl ester
SMILES: CCCOC(=O)CC1=C(C2=CC=CC=C2NC1=O)O
Compound: 4-(4-fluorophenoxy)-3-nitrobenzaldehyde oxime
SMILES: C1=CC(=CC=C1OC2=C(C=C(C=C2)C=NO)[N+](=O)[O-])F
Compound: 3-hydroxy-1-adamantanecarboxylic acid [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] ester
SMILES: C1C2CC3(CC1CC(C3)(C2)C(=O)OCC(=O)NC4=CC=CC=C4OC(F)F)O
Compound: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetamide
SMILES: CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C
Compound: (2S,4S)-4-(4-bromophenyl)-2-(4-hydroxybutoxy)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILES: C1[C@@H](C=C(O[C@@H]1OCCCCO)C(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)Br
Compound: N-tert-butyl-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-N-(phenylmethyl)acetamide
SMILES: CC(C)(C)N(CC1=CC=CC=C1)C(=O)CSC2=NN=C(O2)C3=CC(=CC(=C3)OC)OC
Compound: N-[(3-methoxyphenyl)methyl]-4H-3,1-benzothiazin-2-amine
SMILES: COC1=CC=CC(=C1)CNC2=NC3=CC=CC=C3CS2
Compound: 1-(2,6-diethylphenyl)-3-[2-(3,4-dihydroxyphenyl)ethyl]thiourea
SMILES: CCC1=C(C(=CC=C1)CC)NC(=S)NCCC2=CC(=C(C=C2)O)O
Compound: N-(1,1-dioxo-3-thiolanyl)-N-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetamide
SMILES: CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C3N2C=CC=C3
Compound: N-ethyl-8-methyl-4-oxo-N-(phenylmethyl)-2-thieno[3,2-c][1]benzopyrancarboxamide
SMILES: CCN(CC1=CC=CC=C1)C(=O)C2=CC3=C(S2)C4=C(C=CC(=C4)C)OC3=O
Compound: 2-anilino-N-(3,5-dimethylphenyl)-2-phenylacetamide
SMILES: CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)NC3=CC=CC=C3)C
Compound: 2-[[5-methyl-2-(3-methylphenyl)-4-oxazolyl]methylsulfinyl]-N-(2-oxolanylmethyl)acetamide
SMILES: CC1=CC=CC(=C1)C2=NC(=C(O2)C)CS(=O)CC(=O)NCC3CCCO3
Compound: N-[(1,2-dimethyl-5-indolyl)methyl]-2-methyl-3-nitrobenzamide
SMILES: CC1=CC2=C(N1C)C=CC(=C2)CNC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C
Compound: 3-methyl-N-(2-phenylethyl)-2-butenamide
SMILES: CC(=CC(=O)NCCC1=CC=CC=C1)C
Compound: [3-(2-furanyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-(3-pyridinyl)methanone
SMILES: C1=CC(=CN=C1)C(=O)N2C(=NC(=N2)C3=CC=CO3)NCC4=CC=CS4
Compound: acetic acid [4-[2-(8-acetyloxy-2-quinolinyl)ethenyl]-2-ethoxy-3-nitrophenyl] ester
SMILES: CCOC1=C(C=CC(=C1[N+](=O)[O-])C=CC2=NC3=C(C=CC=C3OC(=O)C)C=C2)OC(=O)C
Compound: 2-(1H-benzimidazol-2-ylthio)-1-(2,3-dimethyl-1-indolyl)ethanone
SMILES: CC1=C(N(C2=CC=CC=C12)C(=O)CSC3=NC4=CC=CC=C4N3)C
Compound: 3-[5-[(2H-tetrazol-5-ylhydrazinylidene)methyl]-2-furanyl]benzoic acid
SMILES: C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)C=NNC3=NNN=N3
Compound: 1-(5-fluoro-3-methyl-2-benzofuranyl)-3-thiophen-2-yl-2-propen-1-one
SMILES: CC1=C(OC2=C1C=C(C=C2)F)C(=O)C=CC3=CC=CS3
Compound: 5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine
SMILES: C1=CC(=NC2=C1C(=CC(=N2)C(F)(F)F)C(F)(F)F)N
Compound: 2-chloro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILES: C1CCC2=C(C1)C=CC(=C2)C3=NN=C(O3)NC(=O)C4=CC=CC=C4Cl
Compound: 3-[5-(4-ethylphenyl)-2-tetrazolyl]propanoic acid methyl ester
SMILES: CCC1=CC=C(C=C1)C2=NN(N=N2)CCC(=O)OC
Compound: 5-(4-methoxyanilino)-2-[(3-methylphenoxy)methyl]-4-oxazolecarbonitrile
SMILES: CC1=CC(=CC=C1)OCC2=NC(=C(O2)NC3=CC=C(C=C3)OC)C#N
Compound: 3-(3-aminophenyl)-2-propenoic acid
SMILES: C1=CC(=CC(=C1)N)C=CC(=O)O
Compound: 2-Methylquinoline-3,4-diol
SMILES: Cc1nc2ccccc2c(O)c1O
Compound: N-[[4-[[acetamido(sulfanylidene)methyl]amino]anilino]-sulfanylidenemethyl]-3-(2-furanyl)-2-propenamide
SMILES: CC(=O)NC(=S)NC1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=CO2
Compound: 2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-3-dibenzofuranyl)acetamide
SMILES: CN(CC1=C(C=C(C=C1)OC)OC)CC(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC
Compound: N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2-fluorophenyl)-5-methyl-4-oxazolyl]methylthio]acetamide
SMILES: CC1=C(N=C(O1)C2=CC=CC=C2F)CSCC(=O)NCC3=CC4=C(C=C3)OCO4
Compound: 2-amino-7-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile
SMILES: CC1CC2=C(C(C(=C(O2)N)C#N)C3=C(C(=C(C=C3)OC)OC)OC)C(=O)C1
Compound: 1-[3-[(7-cyano-[1,3]dioxolo[4,5-g]quinolin-6-yl)amino]propyl]-3-(3-methoxypropyl)thiourea
SMILES: COCCCNC(=S)NCCCNC1=NC2=CC3=C(C=C2C=C1C#N)OCO3
Compound: 3-pyridinecarboxylic acid [4-[heptoxy(oxo)methyl]phenyl] ester
SMILES: CCCCCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CN=CC=C2
Compound: N-[3-[4-(2,5-dimethylphenyl)-1-piperazinyl]propyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
SMILES: CC1=CC2=C(C=C1)OC(C(=O)N2)CC(=O)NCCCN3CCN(CC3)C4=C(C=CC(=C4)C)C
Compound: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
SMILES: CC(C)CC1=NN=C(S1)NC(=O)CC2=CC=CS2
Compound: 3-(3,5-dimethylphenyl)-1-[1-(7-methoxy-2-benzofuranyl)ethyl]-1-[3-(4-morpholinyl)propyl]thiourea
SMILES: CC1=CC(=CC(=C1)NC(=S)N(CCCN2CCOCC2)C(C)C3=CC4=C(O3)C(=CC=C4)OC)C
Compound: N-[(2-furanylmethylamino)-oxomethyl]-2-[4-(4-hydroxyphenyl)-1-piperazinyl]acetamide
SMILES: C1CN(CCN1CC(=O)NC(=O)NCC2=CC=CO2)C3=CC=C(C=C3)O
Compound: 2-cyano-2-(1-phenyl-4-pyrimidinylidene)acetic acid ethyl ester
SMILES: CCOC(=O)C(=C1C=CN(C=N1)C2=CC=CC=C2)C#N
Compound: 3-[5-(diethylsulfamoyl)-1-methyl-2-benzimidazolyl]propanoic acid [2-(3,5-dichloroanilino)-2-oxoethyl] ester
SMILES: CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CCC(=O)OCC(=O)NC3=CC(=CC(=C3)Cl)Cl)C
Compound: 2-[(1-oxo-2-phenoxyethyl)amino]benzoic acid methyl ester
SMILES: COC(=O)C1=CC=CC=C1NC(=O)COC2=CC=CC=C2
Compound: 4-methoxy-3-nitrobenzoic acid (2-anilino-2-oxoethyl) ester
SMILES: COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2)[N+](=O)[O-]
Compound: 4-ethoxy-N-(3-quinolinyl)benzenesulfonamide
SMILES: CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=CC=CC=C3N=C2
Compound: 2-acetamido-N-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)-4-piperidinyl]-3-(3-methoxyphenyl)propanamide
SMILES: CC1=CC(=NC(=C1C#N)N2CCC(CC2)NC(=O)C(CC3=CC(=CC=C3)OC)NC(=O)C)C
Compound: N-[1-(2-furanyl)ethylideneamino]carbamic acid tert-butyl ester
SMILES: CC(=NNC(=O)OC(C)(C)C)C1=CC=CO1
Compound: 3,5-dimethyl-4-isoxazolecarboxylic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester
SMILES: CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(ON=C3C)C)CCC
Compound: 6-hydroxy-2-(4-nitrophenyl)-3,1-benzoxazin-4-one
SMILES: C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)O)C(=O)O2)[N+](=O)[O-]
Compound: 1-methyl-5-(1-naphthalenyloxy)-4-nitroimidazole
SMILES: CN1C=NC(=C1OC2=CC=CC3=CC=CC=C32)[N+](=O)[O-]
Compound: N-(4-fluorophenyl)-6-methyl-2,5-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine
SMILES: CC1=CC2=NC(SN2N1)NC3=CC=C(C=C3)F