MonarchInit/C3PO huggingface dataset:
Compound: 4-bromo-N-phenacylbenzamide
SMILES: C1=CC=C(C=C1)C(=O)CNC(=O)C2=CC=C(C=C2)Br
Compound: 1-[(3,4-dimethoxyphenyl)methyl]-4-(4-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SMILES: COC1=C(C=C(C=C1)CN2C=C(C(C(=C2)C(=O)OC)C3=CC=C(C=C3)O)C(=O)OC)OC
Compound: 2-(1H-benzimidazol-2-ylthio)-N-(2-methoxy-3-dibenzofuranyl)acetamide
SMILES: COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)CSC4=NC5=CC=CC=C5N4
Compound: N-(1-methyl-2-benzimidazolyl)-1-thiophen-2-ylmethanimine
SMILES: CN1C2=CC=CC=C2N=C1N=CC3=CC=CS3
Compound: 1-(2,6-dimethyl-1-piperidinyl)-2-phenylethanone
SMILES: CC1CCCC(N1C(=O)CC2=CC=CC=C2)C
Compound: 4-methyl-N-[(phenylmethylene)amino]-1,2,5-oxadiazole-3-carboxamide
SMILES: CC1=NON=C1C(=O)NN=CC2=CC=CC=C2
Compound: N-[[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]carbamic acid tert-butyl ester
SMILES: CC1=CC(=C(C(=C1)C)NC(=O)CC(=NNC(=O)OC(C)(C)C)C)C
Compound: 3-chloro-1-(4-methoxyphenyl)-4-(3-methyl-1-piperidinyl)pyrrole-2,5-dione
SMILES: CC1CCCN(C1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)OC)Cl
Compound: [3-(2-chloro-6-ethoxy-3-quinolinyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
SMILES: CCOC1=CC2=CC(=C(N=C2C=C1)Cl)C3CC(=NN3C(=O)C4=CC=CS4)C5=CC=CC=C5
Compound: N-(5-bromo-2-thiazolyl)-3-phenyl-2-(1-pyrrolyl)propanamide
SMILES: C1=CC=C(C=C1)CC(C(=O)NC2=NC=C(S2)Br)N3C=CC=C3
Compound: 2-(5-chloro-2-pyridinyl)-4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methylidene]isoquinoline-1,3-dione
SMILES: CCC1=NN=C(S1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=NC=C(C=C4)Cl
Compound: 2-[[6-(2-furanyl)-3-pyridazinyl]thio]-N-(3-methylphenyl)acetamide
SMILES: CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CO3
Compound: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-furanylmethyl)-3-phenylurea
SMILES: CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CC3=CC=CO3)C(=O)NC4=CC=CC=C4
Compound: N-(1,3-benzodioxol-5-yl)-3-(2-furanyl)-2-propenamide
SMILES: C1OC2=C(O1)C=C(C=C2)NC(=O)C=CC3=CC=CO3
Compound: 4,6-bis(1-pyrrolidinyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILES: C1CCN(C1)C2=NC(=NC(=N2)NC3=CC=CC(=C3)C(F)(F)F)N4CCCC4
Compound: 4-methyl-N-[[(5-methyl-2,1,3-benzothiadiazol-4-yl)amino]-sulfanylidenemethyl]benzamide
SMILES: CC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC3=NSN=C32)C
Compound: 4-ethoxy-N-[5-[[2-oxo-2-(2-oxolanylmethylamino)ethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide
SMILES: CCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)NCC3CCCO3
Compound: 1-(2,3-dihydroindol-1-yl)-2-(5-pyridin-4-yl-2-tetrazolyl)ethanone
SMILES: C1CN(C2=CC=CC=C21)C(=O)CN3N=C(N=N3)C4=CC=NC=C4
Compound: N-[[[2-(2-methoxyphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide
SMILES: COC1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)C2=CC=CO2
Compound: 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-[2-(4-morpholinyl)ethyl]acetamide
SMILES: CN1C(=NN=C1SCC(=O)NCCN2CCOCC2)CSC3=NC4=CC=CC=C4S3
Compound: N-(1,3-benzodioxol-5-yl)-3-methyl-6-phenyl-2-imidazo[2,1-b]thiazolecarboxamide
SMILES: CC1=C(SC2=NC(=CN12)C3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)OCO5
Compound: 4-amino-2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylthio]-5-pyrimidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=CN=C(N=C1N)SCC2=NC(=NC(=N2)NC3=CC=C(C=C3)C)N
Compound: 2-methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide
SMILES: CC(C)NC1=CC=C(C=C1)NC(=O)C(=C)C
Compound: 4,5-dichloro-2-methyl-1-(2-phenoxyethyl)imidazole
SMILES: CC1=NC(=C(N1CCOC2=CC=CC=C2)Cl)Cl
Compound: 6-[4-methyl-6-(4-nitrophenyl)-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid
SMILES: CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3
Compound: N-[1-[4-(5-methyl-1-triazolyl)phenyl]ethylideneamino]-4-nitroaniline
SMILES: CC1=CN=NN1C2=CC=C(C=C2)C(=NNC3=CC=C(C=C3)[N+](=O)[O-])C
Compound: 5-(2-furanylmethylamino)-2-(3-methylphenyl)-4-oxazolecarbonitrile
SMILES: CC1=CC=CC(=C1)C2=NC(=C(O2)NCC3=CC=CO3)C#N
Compound: 5-[10-(5-methoxy-1,5-dioxopentyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]-5-oxopentanoic acid methyl ester
SMILES: COC(=O)CCCC(=O)N1CCOCCN(CCOCC1)C(=O)CCCC(=O)OC
Compound: 2-[(5-bromo-2-thiophenyl)sulfonylamino]-N-(2-furanylmethyl)benzamide
SMILES: C1=CC=C(C(=C1)C(=O)NCC2=CC=CO2)NS(=O)(=O)C3=CC=C(S3)Br
Compound: 1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
SMILES: CCC(C(F)(F)F)(C(F)(F)F)NC(=O)NC1=NN=C(S1)C(F)(F)F
Compound: 1-(1H-imidazol-5-ylsulfonyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4-piperidinecarboxamide
SMILES: C1CC(C2=CC=CC=C2C1)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CN4
Compound: 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-5-furo[3,2-b]pyrrolecarboxylic acid methyl ester
SMILES: CC1=CC2=C(O1)C=C(N2CC(=O)N3CCCC4=CC=CC=C43)C(=O)OC
Compound: 2-(2,4-dichlorophenoxy)-N-(2-pyridinylmethylideneamino)acetamide
SMILES: C1=CC=NC(=C1)C=NNC(=O)COC2=C(C=C(C=C2)Cl)Cl
Compound: 5-[[1-(2-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methyl]-2-methylthiazole
SMILES: CC1=NC=C(S1)CN2CCC3=C(C2C4=CC=CC=C4OC)NC5=CC=CC=C35
Compound: N-[2-(1-azepanyl)phenyl]-2-(1,3-benzoxazol-2-ylthio)acetamide
SMILES: C1CCCN(CC1)C2=CC=CC=C2NC(=O)CSC3=NC4=CC=CC=C4O3
Compound: 5-[(5-methoxycarbonyl-2-methyl-3-furanyl)methoxy]-2-methyl-3-benzofurancarboxylic acid methyl ester
SMILES: CC1=C(C=C(O1)C(=O)OC)COC2=CC3=C(C=C2)OC(=C3C(=O)OC)C
Compound: 2-[[7-(4-methoxyphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]thio]propanoic acid ethyl ester
SMILES: CCOC(=O)C(C)SC1=NC=NC2=C1C(=CN2C3=CC=C(C=C3)OC)C4=CC=CC=C4
Compound: N-[5-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
SMILES: C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NN=C(S3)SCC(=O)NCC4=CC=CO4
Compound: 2-[(5-chloro-2-thiophenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)benzamide
SMILES: CC1=CC(=C(C=C1)OC)NC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(S3)Cl
Compound: N-(4-methoxyphenyl)-1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxamide
SMILES: COC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CS3
Compound: 1-[[oxo(3-pyridinyl)methyl]amino]-3-(4-propan-2-ylphenyl)thiourea
SMILES: CC(C)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CN=CC=C2
Compound: N4,N5-bis(2-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide
SMILES: CCOC1=CC=CC=C1NC(=O)C2=C(N=CN2)C(=O)NC3=CC=CC=C3OCC
Compound: 4-cyano-N-[4-thiophen-2-yl-5-(2,2,2-trifluoro-1-oxoethyl)-2-thiazolyl]benzamide
SMILES: C1=CSC(=C1)C2=C(SC(=N2)NC(=O)C3=CC=C(C=C3)C#N)C(=O)C(F)(F)F
Compound: 4-bromo-N-(cinnamylideneamino)benzenesulfonamide
SMILES: C1=CC=C(C=C1)C=CC=NNS(=O)(=O)C2=CC=C(C=C2)Br
Compound: LSM-32322
SMILES: COC1=CC(=CC=C1)OCC2=NC3=[NH+]C=C(C=C3N2)Br
Compound: 3-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[1-(2-oxolanylmethyl)-5-tetrazolyl]methyl]-6-ethyl-1H-quinolin-2-one
SMILES: CCC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3CC4CCCO4)N5CCN6CCCC6C5
Compound: 6-fluoro-N-phenyl-1,3-benzothiazol-2-amine
SMILES: C1=CC=C(C=C1)NC2=NC3=C(S2)C=C(C=C3)F
Compound: 2-[(5,5-dimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)thio]acetic acid propan-2-yl ester
SMILES: CC(C)OC(=O)CSC1=NN=C2N1C(CC3=CC=CC=C32)(C)C
Compound: 2-methoxy-4-[3-(2-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenol
SMILES: COC1=CC=CC=C1C2=NN=C3N2NC(S3)C4=CC(=C(C=C4)O)OC
Compound: 6-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-1-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
SMILES: CC1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC(=O)N4CCCC5=CC=CC=C54
Compound: 4-[4-(3-chlorophenyl)-1-piperazinyl]aniline
SMILES: C1CN(CCN1C2=CC=C(C=C2)N)C3=CC(=CC=C3)Cl
Compound: 4-[2-[(4-chlorophenyl)thio]ethoxy]-3-ethoxybenzaldehyde
SMILES: CCOC1=C(C=CC(=C1)C=O)OCCSC2=CC=C(C=C2)Cl
Compound: 5-bromo-2-furancarboxylic acid [2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester
SMILES: CC1=CC(=C(N1CCOC)C)C(=O)COC(=O)C2=CC=C(O2)Br
Compound: 5-(1,3-benzodioxol-5-yl)-2-[(2-chloro-6-fluorophenyl)methyl]tetrazole
SMILES: C1OC2=C(O1)C=C(C=C2)C3=NN(N=N3)CC4=C(C=CC=C4Cl)F
Compound: 3-[(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-2-(phenoxymethyl)-4-quinazolinone
SMILES: C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C(=O)N2NC=C4C=CC(=O)C(=C4)O
Compound: 4-(6-quinolinyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
SMILES: C1CC2=C(C(NC(=O)N2)C3=CC4=C(C=C3)N=CC=C4)C(=O)C1
Compound: 3-(1,3-dihydrobenzimidazol-2-ylidene)-1-pentylquinoline-2,4-dione
SMILES: CCCCCN1C2=CC=CC=C2C(=O)C(=C3NC4=CC=CC=C4N3)C1=O
Compound: 2-(2-methylphenoxy)-N-[2-(methylthio)phenyl]acetamide
SMILES: CC1=CC=CC=C1OCC(=O)NC2=CC=CC=C2SC
Compound: 1-(1H-indol-3-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone
SMILES: CC1=NC(=C(C=C1)OCC(=O)C2=CNC3=CC=CC=C32)[N+](=O)[O-]
Compound: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5,6-dimethyl-4-thieno[2,3-d]pyrimidinamine
SMILES: CC1=C(SC2=NC=NC(=C12)NCC3COC4=CC=CC=C4O3)C
Compound: 11-[2-(diethylamino)ethylamino]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
SMILES: CCN(CC)CCNC1=C2CCCCC2=C(C3=NC4=CC=CC=C4N13)C#N
Compound: 3-[5-(4-fluorophenyl)-7-phenyl-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=C(C=C4)F
Compound: 4-(4-methyl-1-piperidinyl)-5-phenyl-2-(3-pyridinyl)thieno[2,3-d]pyrimidine
SMILES: CC1CCN(CC1)C2=C3C(=CSC3=NC(=N2)C4=CN=CC=C4)C5=CC=CC=C5
Compound: 2-[2,4-dioxo-3-(phenylmethyl)-5-thiazolidinyl]acetic acid
SMILES: C1=CC=C(C=C1)CN2C(=O)C(SC2=O)CC(=O)O
Compound: N-(4-hydroxyphenyl)-3-methoxy-2-naphthalenecarboxamide
SMILES: COC1=CC2=CC=CC=C2C=C1C(=O)NC3=CC=C(C=C3)O
Compound: 1-(2,4-dimethylphenyl)-3-[[4-(3-methylbutoxy)phenyl]methylideneamino]thiourea
SMILES: CC1=CC(=C(C=C1)NC(=S)NN=CC2=CC=C(C=C2)OCCC(C)C)C
Compound: [4-(2,3-dimethylphenyl)-1-piperazinyl]-(3,4,5-trimethoxyphenyl)methanone
SMILES: CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC)C
Compound: N-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)-3-imidazo[1,2-a]pyrazinamine
SMILES: CC1=CC=C(C=C1)C2=C(N3C=CN=CC3=N2)NC4=CC5=C(C=C4)OCO5
Compound: 2-amino-3-methyl-7-(2-phenylethyl)-5H-pteridine-4,6-dione
SMILES: CN1C(=O)C2=C(N=C(C(=O)N2)CCC3=CC=CC=C3)N=C1N
Compound: 3-ethyl-5-(1-ethyl-2-quinolinylidene)-2-sulfanylidene-4-thiazolidinone
SMILES: CCN1C(=C2C(=O)N(C(=S)S2)CC)C=CC3=CC=CC=C31
Compound: 2,6-dimethyl-4-thiophen-2-ylsulfonylmorpholine
SMILES: CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CS2
Compound: 1-[1-(3-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanone
SMILES: CC1=CC(=C(N1C2=CC(=CC=C2)F)C)C(=O)CSC3=NN=NN3C
Compound: N-[4-[[[(5-bromo-2-furanyl)-oxomethyl]hydrazo]-oxomethyl]phenyl]benzamide
SMILES: C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=C(O3)Br
Compound: 3-(4-chlorophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILES: CCCC1=CC(=O)N2C(=N1)C(=CN2)C3=CC=C(C=C3)Cl
Compound: 1-[4-[(2-amino-5-thiazolyl)methyl]phenyl]ethanone
SMILES: CC(=O)C1=CC=C(C=C1)CC2=CN=C(S2)N
Compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)-1-imidazolidinyl]acetamide
SMILES: CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC3=C(C=C2)OCCO3)CCC4=CC=CC=C4
Compound: 2-[[[5-(dimethylsulfamoyl)-2-methylanilino]-sulfanylidenemethyl]hydrazo]-2-oxoacetamide
SMILES: CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)NNC(=O)C(=O)N
Compound: 1-[[[2-(difluoromethoxy)phenyl]-oxomethyl]amino]-3-(4-fluorophenyl)thiourea
SMILES: C1=CC=C(C(=C1)C(=O)NNC(=S)NC2=CC=C(C=C2)F)OC(F)F
Compound: (2-adamantylideneamino)thiourea
SMILES: C1C2CC3CC1CC(C3=NNC(=S)N)C2
Compound: 2-(6-methyl-3-benzofuranyl)acetic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester
SMILES: CC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC(=O)NC3=NC=C(C=C3)Cl
Compound: N-[(5-chloro-8-hydroxy-7-quinolinyl)-(4-methoxyphenyl)methyl]acetamide
SMILES: CC(=O)NC(C1=CC=C(C=C1)OC)C2=CC(=C3C=CC=NC3=C2O)Cl
Compound: N-[3-(dimethylamino)propyl]-9H-carbazole-3-carboxamide
SMILES: CN(C)CCCNC(=O)C1=CC2=C(C=C1)NC3=CC=CC=C32
Compound: 2-[[1-(3-methoxyphenyl)-2-imidazolyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide
SMILES: CC1=CC(=NO1)NC(=O)CSC2=NC=CN2C3=CC(=CC=C3)OC
Compound: 8-{1-[4-(dimethylamino)phenyl]-3-(pyrrolidin-1-yl)propyl}-5,7-dimethoxy-4-pentyl-2H-chromen-2-one
SMILES: CCCCCC1=CC(=O)OC2=C1C(=CC(=C2C(CCN3CCCC3)C4=CC=C(C=C4)N(C)C)OC)OC
Compound: [4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide
SMILES: CC(C)NC1=NC(=NC(=N1)OC)N(CN2C(=O)C3=CC=CC=C3S2(=O)=O)C#N
Compound: 6-bromo-5-methyl-1,3-dihydroimidazo[4,5-b]pyridine-2-thione
SMILES: CC1=C(C=C2C(=N1)NC(=S)N2)Br
Compound: N-[[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-2-phenylacetamide
SMILES: CCOC1=C(C=CC(=C1)C=NNC(=O)CC2=CC=CC=C2)OCC(=O)NC3=CC(=C(C=C3)C)C
Compound: 3-phenyl-6-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridine
SMILES: C1=CC=C(C=C1)C2=NNC3=C2N=CC(=C3)C(F)(F)F
Compound: 3-(2-furanyl)-2-propenoic acid [3-bromo-5-[[[(2-hydroxyphenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester
SMILES: C1=CC=C(C(=C1)C(=O)NN=CC2=CC(=CC(=C2)Br)OC(=O)C=CC3=CC=CO3)O
Compound: 4-[[[2-(4-fluorophenyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CC=C(C=C2)F
Compound: N2-(1H-benzimidazol-2-yl)benzene-1,2-diamine
SMILES: C1=CC=C(C(=C1)N)NC2=NC3=CC=CC=C3N2
Compound: 2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid propan-2-yl ester
SMILES: CC(C)OC(=O)C1=C(N=CC=C1)SCC(=O)NC2=CC(=C(C=C2)OC)OC
Compound: 2-[(5-amino-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio]-N-(3-methoxyphenyl)acetamide
SMILES: CC1=CC2=NN=C(N2C(=N1)N)SCC(=O)NC3=CC(=CC=C3)OC
Compound: 1-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)ethanone
SMILES: C1=CC=C(C=C1)C(=O)CSC2=NN=C3N2C=CC=C3
Compound: N-(4-methylphenyl)-5-nitro-4-spiro[benzimidazole-2,1'-cyclohexane]amine
SMILES: CC1=CC=C(C=C1)NC2=C(C=CC3=NC4(CCCCC4)N=C32)[N+](=O)[O-]
Compound: 4-[3-(2,5-dimethyl-1-pyrrolyl)-4-(1-pyrrolidinyl)phenyl]sulfonylmorpholine
SMILES: CC1=CC=C(N1C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)C
Compound: N-(5-methyl-2-phenyl-3-pyrazolyl)-2-phenoxyacetamide
SMILES: CC1=NN(C(=C1)NC(=O)COC2=CC=CC=C2)C3=CC=CC=C3
Compound: 1-[2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]-2-pyrrolidinone
SMILES: COC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)N3CCCC3=O
Compound: 5-amino-6-(3-indolylidenemethyl)-2-(2-methylpropyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SMILES: CC(C)CC1=NN2C(=C(C(=O)N=C2S1)C=C3C=NC4=CC=CC=C43)N
Compound: LSM-32377
SMILES: C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)NC5=CC=C(C=C5)C6=NC7=CC=CC=C7O6
Compound: 1-[[2-(3-chlorophenyl)-5-methyl-4-oxazolyl]methyl]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-piperidinecarboxamide
SMILES: CC1=C(N=C(O1)C2=CC(=CC=C2)Cl)CN3CCCC(C3)C(=O)NC(C)C4=CC5=C(C=C4)OCCO5
Compound: 7-methyl-4-oxo-2-[(phenylmethyl)amino]-3-pyrido[1,2-a]pyrimidinecarboxaldehyde
SMILES: CC1=CN2C(=NC(=C(C2=O)C=O)NCC3=CC=CC=C3)C=C1
Compound: (4-phenyl-1-piperazinyl)-(9H-xanthen-9-yl)methanone
SMILES: C1CN(CCN1C2=CC=CC=C2)C(=O)C3C4=CC=CC=C4OC5=CC=CC=C35
Compound: 3-(4-methylphenyl)-1H-benzofuro[3,2-d]pyrimidine-2,4-dione
SMILES: CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4O3)NC2=O
Compound: 1,3-dimethyl-2,4-dioxo-N-(4-propan-2-ylphenyl)-5-pyrimidinesulfonamide
SMILES: CC(C)C1=CC=C(C=C1)NS(=O)(=O)C2=CN(C(=O)N(C2=O)C)C
Compound: 3-[(2-adamantylamino)-oxomethyl]-1-methylsulfonyl-1-pentylurea
SMILES: CCCCCN(C(=O)NC(=O)NC1C2CC3CC1CC(C2)C3)S(=O)(=O)C
Compound: N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-1,3-benzodioxole-5-carboxamide
SMILES: COC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC5=C(C=C4)OCO5
Compound: 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-5-(4-chlorophenyl)-3-pyrazolamine
SMILES: C1=CC2=NSN=C2C(=C1)S(=O)(=O)N3C(=CC(=N3)C4=CC=C(C=C4)Cl)N
Compound: N-[6-methyl-2-(4-methylphenyl)-5-benzotriazolyl]-3-pyridinecarboxamide
SMILES: CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=O)C4=CN=CC=C4)C
Compound: 2-(3-fluoroanilino)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile
SMILES: C1=CC(=CC(=C1)F)NC2=C(C3=C(S2)C(=CC(=O)N3)O)C#N
Compound: 4-[[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-1H-quinolin-2-one
SMILES: C1=CC=C2C(=C1)C(=CC(=O)N2)CSC3=NN=C(O3)COC4=CC=C(C=C4)Cl
Compound: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylphenyl)thiourea
SMILES: CC1=CC=CC=C1NC(=S)NCC2=CC3=C(C=C2)OCO3
Compound: 2-[[3-cyano-6-(2-furanyl)-4-(trifluoromethyl)-2-pyridinyl]thio]propanoic acid ethyl ester
SMILES: CCOC(=O)C(C)SC1=C(C(=CC(=N1)C2=CC=CO2)C(F)(F)F)C#N
Compound: N-(4-anilinophenyl)cyclopropanecarboxamide
SMILES: C1CC1C(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3
Compound: LSM-32392
SMILES: CC12CCC3C1(COC2(C3)C(=O)NC4=CN=CC=C4)C
Compound: N-(3-indolylidenemethylamino)carbamic acid tert-butyl ester
SMILES: CC(C)(C)OC(=O)NNC=C1C=NC2=CC=CC=C21
Compound: N-[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]butanamide
SMILES: CCCC(=O)NC(=S)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]
Compound: 2-[(5,6-dithiophen-2-yl-1,2,4-triazin-3-yl)oxy]-N-methyl-N-phenylacetamide
SMILES: CN(C1=CC=CC=C1)C(=O)COC2=NC(=C(N=N2)C3=CC=CS3)C4=CC=CS4
Compound: 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyl-2-benzofuranyl)methanone
SMILES: CC1=C(OC2=CC=CC=C12)C(=O)N3CCC4(CC3)OCCO4
Compound: N-[[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-2-methyl-3-furancarboxamide
SMILES: CC1=C(C(=CC=C1)C)OCC2=C(C=CC(=C2)C=NNC(=O)C3=C(OC=C3)C)OC
Compound: 2-methylpropanoic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester
SMILES: CC(C)C(=O)OCC(=O)C(C#N)C1=NC2=CC=CC=C2N1
Compound: 1-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-(4-methylphenyl)-1-[2-(4-morpholinyl)ethyl]thiourea
SMILES: CCN1CCCC2=C1C=CC(=C2)CN(CCN3CCOCC3)C(=S)NC4=CC=C(C=C4)C
Compound: LSM-32400
SMILES: CN1C2=C(C=N1)C3=NC(=NN3C=N2)CCC4=CC=CC=C4
Compound: LSM-32401
SMILES: C1CCC(=NCC1)C(C#N)C(=O)C2=CC=CC=C2
Compound: 1-(2,6-dimethyl-1H-indol-3-yl)-2-(1-pyrrolidinyl)ethanone
SMILES: CC1=CC2=C(C=C1)C(=C(N2)C)C(=O)CN3CCCC3
Compound: LSM-32403
SMILES: CC1=CC=CC=C1C(=O)C(C#N)N=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C
Compound: 4-[hydroxy(diphenyl)methyl]-N-(2-phenylethyl)-1-piperidinecarbothioamide
SMILES: C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(=S)NCCC4=CC=CC=C4
Compound: 4-hydroxy-1-[1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]propyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester
SMILES: CC(C(=O)N1CC(CC1C(=O)OCC2=CC=CC=C2)O)NC(=O)CNC(=O)OCC3=CC=CC=C3
Compound: 4-(3-methylphenyl)-3-(5-propyl-3-thiophenyl)-1H-1,2,4-triazole-5-thione
SMILES: CCCC1=CC(=CS1)C2=NNC(=S)N2C3=CC=CC(=C3)C
Compound: 6-methyl-2-(phenylmethylene)-4,9-dihydro-3H-carbazol-1-one
SMILES: CC1=CC2=C(C=C1)NC3=C2CCC(=CC4=CC=CC=C4)C3=O
Compound: 2-pyridin-4-yl-1,3-benzothiazole
SMILES: C1=CC=C2C(=C1)N=C(S2)C3=CC=NC=C3
Compound: 4,6-dimethyl-3-[3-(1-naphthalenyl)-1-oxoprop-2-enyl]-1H-pyridin-2-one
SMILES: CC1=CC(=C(C(=O)N1)C(=O)C=CC2=CC=CC3=CC=CC=C32)C
Compound: 1-[[1-[(3-chlorophenyl)methyl]-2-oxo-3-indolylidene]amino]-3-(2-fluorophenyl)thiourea
SMILES: C1=CC=C2C(=C1)C(=NNC(=S)NC3=CC=CC=C3F)C(=O)N2CC4=CC(=CC=C4)Cl
Compound: 4-methylbenzenesulfonic acid [4-(3-amino-2-cyano-3-oxoprop-1-enyl)-2-methoxyphenyl] ester
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)N)OC
Compound: N-[2-(3-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide
SMILES: CC1=CC(=CC=C1)OCCNC(=O)C2=NC=NN2
Compound: 4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 1,3-benzodioxol-5-ylmethyl ester
SMILES: CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)F)C(=O)OCC3=CC4=C(C=C3)OCO4
Compound: N-methyl-N-phenylcarbamic acid (4-tert-butylphenyl) ester
SMILES: CC(C)(C)C1=CC=C(C=C1)OC(=O)N(C)C2=CC=CC=C2
Compound: 3-amino-N-(4-methylphenyl)-5-(methylthio)-1,2,4-triazole-4-carboxamide
SMILES: CC1=CC=C(C=C1)NC(=O)N2C(=NN=C2SC)N
Compound: N-[2-(4-chlorophenyl)ethyl]-4-hydroxy-2-oxo-1-propyl-3-quinolinecarboxamide
SMILES: CCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NCCC3=CC=C(C=C3)Cl)O
Compound: 3,8-dimethyl-4-oxo-7,8,9,10-tetrahydro-6H-thieno[1,2]pyrimido[4,5-a]azepine-2-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(C2=C(S1)N=C3CCC(CCN3C2=O)C)C
Compound: 3-thiophen-2-ylimidazo[1,5-a]pyridine
SMILES: C1=CC2=CN=C(N2C=C1)C3=CC=CS3
Compound: 5-phenyl-2-(1,1,1-trifluoro-3-methoxy-3-oxopropan-2-ylidene)-1,3-oxathiole-4-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(OC(=C(C(=O)OC)C(F)(F)F)S1)C2=CC=CC=C2
Compound: 2,2,3,3-tetrafluoro-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILES: C1=NNC(=N1)NC(=O)C(C(F)F)(F)F
Compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-(2-furanylmethyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]acetamide
SMILES: C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(N3CC4=CC=CO4)COC5=CC=CC=C5
Compound: 8-[3-(3,4-dimethylphenoxy)propoxy]quinoline
SMILES: CC1=C(C=C(C=C1)OCCCOC2=CC=CC3=C2N=CC=C3)C
Compound: (3aS,5S,9aS)-5-[1-(2-methoxyphenyl)-4-pyrazolyl]-2-phenyl-3a,4,5,7,8,9-hexahydro-3H-pyrrolo[3,4-h]pyrrolizin-1-one
SMILES: COC1=CC=CC=C1N2C=C(C=N2)[C@@H]3C[C@H]4CN(C(=O)[C@@]45N3CCC5)C6=CC=CC=C6
Compound: 1-anilino-3-[4-(3-anilino-2-hydroxypropoxy)phenoxy]-2-propanol
SMILES: C1=CC=C(C=C1)NCC(COC2=CC=C(C=C2)OCC(CNC3=CC=CC=C3)O)O
Compound: 1-[1-(phenylmethyl)-4-piperidinyl]-3-(2,4,4-trimethylpentan-2-yl)thiourea
SMILES: CC(C)(C)CC(C)(C)NC(=S)NC1CCN(CC1)CC2=CC=CC=C2
Compound: N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
SMILES: CCOC1=C(C=C(C=C1Br)CNC2=CC3=C(C=C2)OCCO3)OC
Compound: 4-(2-furanylmethylidene)-2-methyl-5-oxo-1-prop-2-enyl-3-pyrrolecarboxylic acid methyl ester
SMILES: CC1=C(C(=CC2=CC=CO2)C(=O)N1CC=C)C(=O)OC
Compound: 1-[amino-[(6-methoxy-4-methyl-2-quinazolinyl)amino]methylidene]-3-phenylurea
SMILES: CC1=NC(=NC2=C1C=C(C=C2)OC)NC(=NC(=O)NC3=CC=CC=C3)N
Compound: N-[4-chloro-3-(4-morpholinylsulfonyl)phenyl]-4-(2-oxolanylmethoxy)benzamide
SMILES: C1CC(OC1)COC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4
Compound: 1-[4-[4-[[6-bromo-2-(3-pyridinyl)-4-quinolinyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone
SMILES: CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CN=CC=C5
Compound: 3-chloro-1-(2,4-dimethylphenyl)-4-(2-hydroxyethylamino)pyrrole-2,5-dione
SMILES: CC1=CC(=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NCCO)C
Compound: 3-[[(5-bromo-2-furanyl)-oxomethyl]amino]-2-methylbenzoic acid
SMILES: CC1=C(C=CC=C1NC(=O)C2=CC=C(O2)Br)C(=O)O
Compound: 1,3-benzothiazole-6-carboxylic acid (2-benzamido-2-oxoethyl) ester
SMILES: C1=CC=C(C=C1)C(=O)NC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3
Compound: 4-pyridin-4-yl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
SMILES: C1CCC2=C(C1)C(=C(C(=S)N2)C#N)C3=CC=NC=C3
Compound: LSM-32435
SMILES: CC1=CC(=CC=C1)N2C(=O)C3=C(N4C2=NNC4=S)SC5=C3CCC5
Compound: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-sulfanylidene-1H-quinazolin-4-one
SMILES: C1COC2=C(O1)C=CC(=C2)N3C(=O)C4=CC=CC=C4NC3=S
Compound: N-[2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]benzamide
SMILES: C1=CC=C(C=C1)C(=O)NN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=C(C=C4)Cl
Compound: 3-[(4-methoxyphenoxy)methyl]-N-(4-nitro-1-pyrazolyl)benzamide
SMILES: COC1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)NN3C=C(C=N3)[N+](=O)[O-]
Compound: 4-[[[2-(4-methoxyphenyl)-3-thiazolidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCSC2C3=CC=C(C=C3)OC
Compound: N-methyl-6-phenyl-3-(2-pyridinyl)-1,2,4-triazin-5-amine
SMILES: CNC1=C(N=NC(=N1)C2=CC=CC=N2)C3=CC=CC=C3
Compound: 3-(4-chlorophenoxy)-4-[(3-methoxypropylamino)methyl]-1-(2-methylphenyl)-2-azetidinone
SMILES: CC1=CC=CC=C1N2C(C(C2=O)OC3=CC=C(C=C3)Cl)CNCCCOC
Compound: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid methyl ester
SMILES: COC(=O)C1=CC(=NN1)C2=CC=C(C=C2)Br
Compound: 2-(3,4-dimethoxyphenyl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
SMILES: CC1=NN(C(C1)(C(F)(F)F)O)C(=O)CC2=CC(=C(C=C2)OC)OC
Compound: N-(2-pyridinyl)-2-[[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]thio]acetamide
SMILES: C1=CC=NC(=C1)NC(=O)CSC2=NN=C(O2)C3=CN=CC=C3
Compound: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoroacetamide
SMILES: C1CCC(CC1)NC(=O)C(C2=CC=NC=C2)N(CC3=CC4=C(C=C3)OCO4)C(=O)C(F)(F)F
Compound: 1-butyl-3-[[2-oxo-1-(phenylmethyl)-3-indolylidene]amino]thiourea
SMILES: CCCCNC(=S)NN=C1C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3
Compound: N-[4-(butylsulfamoyl)phenyl]-2-phenyl-2-(phenylthio)acetamide
SMILES: CCCCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3
Compound: N-(2-fluorophenyl)-4-phenylmethoxybenzamide
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3F
Compound: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-phenylpyrrolidine-2,5-dione
SMILES: C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4CC(=O)N(C4=O)C5=CC=CC=C5
Compound: 2,6-diphenyl-7-pyrazolo[1,5-a]pyrimidinamine
SMILES: C1=CC=C(C=C1)C2=NN3C(=C2)N=CC(=C3N)C4=CC=CC=C4
Compound: 2-[2-(2-furanyl)-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid methyl ester
SMILES: CC1=C(C(=O)N2C(=N1)N=C(N2)C3=CC=CO3)CC(=O)OC
Compound: 4,4,4-trifluoro-2-[(4-methylanilino)methylidene]-1-thiophen-2-ylbutane-1,3-dione
SMILES: CC1=CC=C(C=C1)NC=C(C(=O)C2=CC=CS2)C(=O)C(F)(F)F
Compound: N-(2-methylphenyl)-N'-[[4-oxo-4-(2-pyridinylamino)butan-2-ylidene]amino]oxamide
SMILES: CC1=CC=CC=C1NC(=O)C(=O)NN=C(C)CC(=O)NC2=CC=CC=N2
Compound: N-[4-(4-ethylphenyl)-2-thiazolyl]carbamic acid phenyl ester
SMILES: CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)OC3=CC=CC=C3
Compound: 2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]thio]-N-(2-chlorophenyl)acetamide
SMILES: CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC=CC=C3Cl
Compound: 2-cyano-N-(5-methyl-2-phenyl-3-pyrazolyl)-3-[5-[3-(trifluoromethyl)phenyl]-2-furanyl]-2-propenamide
SMILES: CC1=NN(C(=C1)NC(=O)C(=CC2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F)C#N)C4=CC=CC=C4
Compound: 3-(2,5-dioxo-1-pyrrolidinyl)-N-(1-ethyl-2-oxo-6-benzo[cd]indolyl)benzamide
SMILES: CCN1C2=C3C(=C(C=C2)NC(=O)C4=CC(=CC=C4)N5C(=O)CCC5=O)C=CC=C3C1=O
Compound: 2-[[2-(6-oxo-1-cyclohexa-2,4-dienylidene)-3H-1,3,4-oxadiazol-5-yl]thio]acetic acid (4-phenylmethoxyphenyl) ester
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)OC(=O)CSC3=NNC(=C4C=CC=CC4=O)O3
Compound: N-[1-[(4-chlorophenyl)methyl]-4-pyrazolyl]-2-pyrazinecarboxamide
SMILES: C1=CC(=CC=C1CN2C=C(C=N2)NC(=O)C3=NC=CN=C3)Cl
Compound: (2S)-2-[[(2-chlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester
SMILES: CC(C)[C@@H](C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)NC(=O)C3=CC=CC=C3Cl
Compound: 1-methyl-N-(thiophen-2-ylmethylideneamino)-3-indolecarboxamide
SMILES: CN1C=C(C2=CC=CC=C21)C(=O)NN=CC3=CC=CS3
Compound: 2-(2-hydroxyethylamino)-3-(4-methoxyanilino)naphthalene-1,4-dione
SMILES: COC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)NCCO
Compound: 4-(6-methyl-4-phenyl-2-quinazolinyl)-1-piperazinecarboxaldehyde
SMILES: CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)N4CCN(CC4)C=O
Compound: 2-(2-quinoxalinylthio)propanoic acid
SMILES: CC(C(=O)O)SC1=NC2=CC=CC=C2N=C1
Compound: 7-(2-methoxyphenyl)-5-phenyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILES: COC1=CC=CC=C1C2C=C(N=C3N2NN=N3)C4=CC=CC=C4
Compound: 1-(phenylmethyl)-3-(1-thiophen-2-ylethylideneamino)thiourea
SMILES: CC(=NNC(=S)NCC1=CC=CC=C1)C2=CC=CS2
Compound: 5-[1-[(4-fluorophenyl)methyl]-3-pyrazolyl]-2-phenylthiazole
SMILES: C1=CC=C(C=C1)C2=NC=C(S2)C3=NN(C=C3)CC4=CC=C(C=C4)F
Compound: 3-[[(2,4-dichlorophenyl)methylthio]methyl]-4-propan-2-yl-1H-1,2,4-triazole-5-thione
SMILES: CC(C)N1C(=NNC1=S)CSCC2=C(C=C(C=C2)Cl)Cl
Compound: LSM-32469
SMILES: C1=CC(=CC=C1C2=NOC(=C2NO)[NH2+][O-])[N+](=O)[O-]
Compound: (1R,2R)-2-[(R)-(diphenylphosphorylamino)-phenylmethyl]-N-(2-naphthalenyl)-1-cyclopropanecarboxamide
SMILES: C1[C@H]([C@@H]1C(=O)NC2=CC3=CC=CC=C3C=C2)[C@H](C4=CC=CC=C4)NP(=O)(C5=CC=CC=C5)C6=CC=CC=C6
Compound: 1-[5-(2-chlorophenyl)-2-furanyl]-N-(1,2,4-triazol-4-yl)methanimine
SMILES: C1=CC=C(C(=C1)C2=CC=C(O2)C=NN3C=NN=C3)Cl
Compound: 3-(4-ethylphenyl)-4-hydroxy-4-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-1H-quinazolin-2-one
SMILES: CCC1=CC=C(C=C1)N2C(=O)NC3=CC=CC=C3C2(C(=O)N4CCN(CC4)C5=CC=CC=N5)O
Compound: 4-[(2-chloro-6-fluorophenyl)-oxomethyl]-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILES: CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=CC=C3)C(=O)C4=C(C=CC=C4Cl)F
Compound: 6-tert-butyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILES: CC(C)(C)C1=CC(=C(C(=O)N1)C#N)C(F)(F)F
Compound: 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILES: C1=CC(=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC=NN3)Cl)Cl
Compound: 2'-amino-5',6'-dimethoxy-1'-spiro[cyclopentane-1,3'-indene]carbonitrile
SMILES: COC1=C(C=C2C(=C1)C(=C(C23CCCC3)N)C#N)OC
Compound: 2-amino-5-[(4-amino-3-methoxycarbonylphenyl)methyl]benzoic acid methyl ester
SMILES: COC(=O)C1=C(C=CC(=C1)CC2=CC(=C(C=C2)N)C(=O)OC)N
Compound: 2-[4-[2-(1-cyclohexenyl)ethylsulfamoyl]-2-methylphenoxy]acetic acid methyl ester
SMILES: CC1=C(C=CC(=C1)S(=O)(=O)NCCC2=CCCCC2)OCC(=O)OC
Compound: 1-[2-(3,4-dimethoxyphenyl)-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester
SMILES: COC1=C(C=C(C=C1)CC(=O)N2CCC(CC2)C(=O)OC)OC
Compound: 3-hydroxybenzoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester
SMILES: C1=CC=C2C(=C1)C(=CN2)C(=O)COC(=O)C3=CC(=CC=C3)O
Compound: 6-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SMILES: CCC1=NN2C(=N)C(=CC3=C(N(N=C3C)C4=CC=CC=C4)Cl)C(=O)N=C2S1
Compound: N-[2-(dimethylamino)ethyl]-2,2-diphenylacetamide
SMILES: CN(C)CCNC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2
Compound: 3-[5-[oxo-(3-pyridinylamino)methyl]-2-furanyl]-2-thiophenecarboxylic acid methyl ester
SMILES: COC(=O)C1=C(C=CS1)C2=CC=C(O2)C(=O)NC3=CN=CC=C3
Compound: N-butyl-5-methoxy-1H-indole-2-carboxamide
SMILES: CCCCNC(=O)C1=CC2=C(N1)C=CC(=C2)OC
Compound: 1-(benzenesulfonyl)indole
SMILES: C1=CC=C(C=C1)S(=O)(=O)N2C=CC3=CC=CC=C32
Compound: 2-(2,4-dichlorophenoxy)acetic acid [[amino(2-pyridinyl)methylidene]amino] ester
SMILES: C1=CC=NC(=C1)C(=NOC(=O)COC2=C(C=C(C=C2)Cl)Cl)N
Compound: 4-methyl-N-[2-(phenylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzenesulfonamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N4CCN(CC4=N3)CC5=CC=CC=C5
Compound: N-(1,3-benzodioxol-5-ylmethylideneamino)-2-phenylacetamide
SMILES: C1OC2=C(O1)C=C(C=C2)C=NNC(=O)CC3=CC=CC=C3
Compound: 4-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzoic acid methyl ester
SMILES: COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3
Compound: 2-(2,4-dibromophenoxy)-N-[oxo-(propan-2-ylamino)methyl]acetamide
SMILES: CC(C)NC(=O)NC(=O)COC1=C(C=C(C=C1)Br)Br
Compound: 4-(4,6-difluoro-1,3-benzothiazol-2-yl)morpholine
SMILES: C1COCCN1C2=NC3=C(C=C(C=C3S2)F)F
Compound: LSM-32492
SMILES: C1=CC2C3C(C1C4C2C(=O)N(C4=O)C5=CC=C(C=C5)O)C6C3C(=O)N(C6=O)C7=CC=C(C=C7)O
Compound: 3-(4-chlorophenyl)-2-methyl-3,3a,4,5-tetrahydrobenzo[g]indazole
SMILES: CN1C(C2CCC3=CC=CC=C3C2=N1)C4=CC=C(C=C4)Cl
Compound: 3-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-oxolanylmethyl)-5-tetrazolyl]methyl]-6-methyl-1H-quinolin-2-one
SMILES: CC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3CC4CCCO4)N5CCC6=CC=CC=C6C5
Compound: N-[[5-(4-nitrophenyl)-2-furanyl]methylideneamino]-1,3-benzodioxole-5-carboxamide
SMILES: C1OC2=C(O1)C=C(C=C2)C(=O)NN=CC3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]
Compound: N-[2-(cyclohexylamino)-1-(2-furanyl)-2-oxoethyl]-N-(2-furanylmethyl)-2-furancarboxamide
SMILES: C1CCC(CC1)NC(=O)C(C2=CC=CO2)N(CC3=CC=CO3)C(=O)C4=CC=CO4
Compound: 6-chloro-N4-[(3,4-dimethoxyphenyl)methylideneamino]pyrimidine-4,5-diamine
SMILES: COC1=C(C=C(C=C1)C=NNC2=C(C(=NC=N2)Cl)N)OC
Compound: 5-(2-furanylmethylamino)-2-(4-methoxyphenyl)-4-oxazolecarbonitrile
SMILES: COC1=CC=C(C=C1)C2=NC(=C(O2)NCC3=CC=CO3)C#N
Compound: 4-(4-methoxyphenyl)-3-(4-methylphenyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole
SMILES: CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC4=CC=C(C=C4)[N+](=O)[O-]
Compound: N-(3-chlorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide
SMILES: CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=CC=C3)Cl)F
Compound: 2-(2,4-dioxo-3-thiazolidinyl)-N-(2,3,4-trifluorophenyl)acetamide
SMILES: C1C(=O)N(C(=O)S1)CC(=O)NC2=C(C(=C(C=C2)F)F)F
Compound: 5-bromo-N-(2-fluorophenyl)-6-oxo-3-pyrancarboxamide
SMILES: C1=CC=C(C(=C1)NC(=O)C2=COC(=O)C(=C2)Br)F
Compound: 2-[[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide
SMILES: CC1=CC(=NO1)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3
Compound: 4,8-dimethyl-3-(phenylmethyl)-7-(2H-tetrazol-5-ylmethoxy)-1-benzopyran-2-one
SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=NNN=N3)CC4=CC=CC=C4
Compound: 2-chloro-12-(4-methoxyphenyl)sulfonylquinoxalino[2,3-b][1,4]benzoxazine
SMILES: COC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=CC(=C3)Cl)OC4=NC5=CC=CC=C5N=C42
Compound: 2-(2-fluoroanilino)-3-pyridinecarboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-methylamino]-2-oxoethyl] ester
SMILES: CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(N=CC=C2)NC3=CC=CC=C3F
Compound: 2-furancarboxylic acid [2-(cyclohexylamino)-2-oxo-1-phenylethyl] ester
SMILES: C1CCC(CC1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=CO3
Compound: N,N-bis(but-2-ynyl)-3-methoxy-4-(1-tetrazolyl)benzenesulfonamide
SMILES: CC#CCN(CC#CC)S(=O)(=O)C1=CC(=C(C=C1)N2C=NN=N2)OC
Compound: 3-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester
SMILES: COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5
Compound: 7-[(6,8-dichloro-4-quinazolinyl)oxymethyl]-5-thiazolo[3,2-a]pyrimidinone
SMILES: C1=CSC2=NC(=CC(=O)N21)COC3=NC=NC4=C(C=C(C=C43)Cl)Cl
Compound: 6-[4-(1-phenylethylamino)-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone
SMILES: CC(C1=CC=CC=C1)NC2=NC(=C3C=CC=CC3=O)NC4=CC=CC=C42
Compound: 2-amino-6-[3-(1-imidazolyl)propyl]-4-(2-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILES: CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3OC)C(=O)N1CCCN4C=CN=C4
Compound: 5-(4-chlorophenyl)-3-[(1-methyl-3-indolyl)methylideneamino]-4-thieno[2,3-d]pyrimidinone
SMILES: CN1C=C(C2=CC=CC=C21)C=NN3C=NC4=C(C3=O)C(=CS4)C5=CC=C(C=C5)Cl
Compound: 5,7-dimethoxy-4-methyl-1-benzopyran-2-one
SMILES: CC1=CC(=O)OC2=CC(=CC(=C12)OC)OC
Compound: (4-methylphenyl)-[4-[4-nitro-3-(3-pyridinylmethylamino)phenyl]-1-piperazinyl]methanone
SMILES: CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CN=CC=C4
Compound: 2-(4-bromophenoxy)-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]acetohydrazide
SMILES: CN1C=NN=C1SCC(=O)NNC(=O)COC2=CC=C(C=C2)Br
Compound: N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide
SMILES: CC(C)OC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)NC3=CC=C(C=C3)Cl
Compound: 2-[[3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-N-propan-2-ylbenzamide
SMILES: CC(C)NC(=O)C1=CC=CC=C1NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]
Compound: N-[4-[2-(2-ethyl-1-oxobutyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
SMILES: CCC(CC)C(=O)N1C(CC(=N1)C2=CC=C(C=C2)NS(=O)(=O)C)C3=CC=CC=C3
Compound: 3-(2-nitrophenyl)-N-(3-pyridinyl)-2-propenamide
SMILES: C1=CC=C(C(=C1)C=CC(=O)NC2=CN=CC=C2)[N+](=O)[O-]
Compound: N-(3,5-dimethylphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolecarboxamide
SMILES: CC1=CC(=CC(=C1)NC(=O)C2=C(N(C(=C2)C)CC3=CC=CS3)C)C
Compound: N-butyl-2-cyano-2-[5-[[2-(difluoromethoxy)phenyl]methylidene]-3-(3-methoxypropyl)-4-oxo-2-thiazolidinylidene]acetamide
SMILES: CCCCNC(=O)C(=C1N(C(=O)C(=CC2=CC=CC=C2OC(F)F)S1)CCCOC)C#N
Compound: 4-[2-[[1-(2-methoxyethyl)-2-benzimidazolyl]thio]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC3=CC=CC=C3N2CCOC)C)C
Compound: 3-cyclopentylpropanoic acid [[amino(phenyl)methylidene]amino] ester
SMILES: C1CCC(C1)CCC(=O)ON=C(C2=CC=CC=C2)N
Compound: 1-[(2,4-dichlorophenyl)methyl]-3-phenylthiourea
SMILES: C1=CC=C(C=C1)NC(=S)NCC2=C(C=C(C=C2)Cl)Cl
Compound: 2-[(2-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)thio]-N-(2-furanylmethyl)acetamide
SMILES: CCC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SCC(=O)NCC4=CC=CO4
Compound: 3-methoxy-4-[(4-nitrobenzyl)oxy]benzaldehyde oxime
SMILES: COC1=C(C=CC(=C1)C=NO)OCC2=CC=C(C=C2)[N+](=O)[O-]
Compound: 2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]thio]acetic acid ethyl ester
SMILES: CCOC(=O)CSC1=NN=C(O1)C2=C(C=C(C=C2)Cl)Cl
Compound: 1-ethyl-4-hydroxy-2-oxo-N-(3-pyridinylmethyl)-3-quinolinecarboxamide
SMILES: CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NCC3=CN=CC=C3)O
Compound: 2-[[4-(4-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)acetamide
SMILES: COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC3=CC=CC=C3)CCC4=CC=CC=C4
Compound: N-[2-(2-benzamidoethyl)-1-methyl-5-benzimidazolyl]-2-methoxybenzamide
SMILES: CN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3OC)N=C1CCNC(=O)C4=CC=CC=C4
Compound: 3-nitro-N-(2-phenylethyl)-2-pyridinamine
SMILES: C1=CC=C(C=C1)CCNC2=C(C=CC=N2)[N+](=O)[O-]
Compound: 5-aminolevulinate
SMILES: NCC(=O)CCC([O-])=O
Compound: 6-chloro-4-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-hydroxy-1-benzopyran-2-one
SMILES: CN(CC1=CC=CC=C1F)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)O
Compound: N-[5-[(2,2-dimethyl-1-oxopropyl)amino]-2-pyridinyl]-2-furancarboxamide
SMILES: CC(C)(C)C(=O)NC1=CN=C(C=C1)NC(=O)C2=CC=CO2
Compound: 6-amino-5-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-1-oxoethyl]-1,3-dimethylpyrimidine-2,4-dione
SMILES: CN1C(=C(C(=O)N(C1=O)C)C(=O)CN2CCN(CC2)C3=CC=CC=C3OC)N
Compound: 1-[(2-chlorophenyl)methylideneamino]-3-(2-phenylethyl)thiourea
SMILES: C1=CC=C(C=C1)CCNC(=S)NN=CC2=CC=CC=C2Cl
Compound: 2-[[[5-(3-chlorophenyl)-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole
SMILES: C1=CC=C2C(=C1)NC(=N2)CSC3=NN=C(N3CC4=CC=CO4)C5=CC(=CC=C5)Cl
Compound: 2-[3-(3-acetyl-5-oxo-2-sulfanylidene-4-imidazolidinylidene)-2-oxo-1-indolyl]-N-(3-methylphenyl)acetamide
SMILES: CC1=CC(=CC=C1)NC(=O)CN2C3=CC=CC=C3C(=C4C(=O)NC(=S)N4C(=O)C)C2=O
Compound: 4,5-dioxo-2-phenyl-1-(4-sulfamoylphenyl)-3-pyrrolidinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1C(N(C(=O)C1=O)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3
Compound: 2-(4-chlorophenyl)-N'-(2-pyrrolylidenemethyl)-4-quinolinecarbohydrazide
SMILES: C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)NNC=C4C=CC=N4
Compound: 3-[(4-benzoyl-1-piperazinyl)-oxomethyl]-8-methoxy-1-benzopyran-2-one
SMILES: COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4
Compound: 1,3-diphenyl-4-pyrazolecarbonitrile
SMILES: C1=CC=C(C=C1)C2=NN(C=C2C#N)C3=CC=CC=C3
Compound: 5-amino-4-(1,3-benzothiazol-6-ylhydrazinylidene)-2-phenyl-3-pyrazolone
SMILES: C1=CC=C(C=C1)N2C(=O)C(=NNC3=CC4=C(C=C3)N=CS4)C(=N2)N
Compound: N-(2-methoxyethyl)-5-(3-methoxyphenyl)-3-isoxazolecarboxamide
SMILES: COCCNC(=O)C1=NOC(=C1)C2=CC(=CC=C2)OC
Compound: 3-(ethylaminomethyl)-6-methyl-1H-quinolin-2-one
SMILES: CCNCC1=CC2=C(C=CC(=C2)C)NC1=O
Compound: N-[1-[1-[(3-chlorophenyl)methyl]-2-benzimidazolyl]ethyl]-3-(2-furanyl)-2-propenamide
SMILES: CC(C1=NC2=CC=CC=C2N1CC3=CC(=CC=C3)Cl)NC(=O)C=CC4=CC=CO4
Compound: N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethyl-3-pyrazolecarboxamide
SMILES: CC1=C(C=C(C=C1)N2C3=C(C=N2)C(CCC3)NC(=O)C4=CC(=NN4C)C)C
Compound: 2-[[[4-[bis(2-methoxyethyl)sulfamoyl]phenyl]-oxomethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
SMILES: COCCN(CCOC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N
Compound: 3-[di(propan-2-yl)phosphorylmethyl]benzonitrile
SMILES: CC(C)P(=O)(CC1=CC=CC(=C1)C#N)C(C)C
Compound: N2-[5-(4-chlorophenyl)-2-phenyl-3-pyrazolyl]benzene-1,2-diamine
SMILES: C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)Cl)NC4=CC=CC=C4N
Compound: 2-[(2,5-dimethylphenyl)methylthio]-5-(3-pyridinyl)-1,3,4-oxadiazole
SMILES: CC1=CC(=C(C=C1)C)CSC2=NN=C(O2)C3=CN=CC=C3
Compound: 1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-(1-phthalazinyloxy)ethanone
SMILES: CC1=CC(=C(N1CC=C)C)C(=O)COC2=NN=CC3=CC=CC=C32
Compound: N-[2-[1,3-benzodioxol-5-yl-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]-2-furancarboxamide
SMILES: CC(C)(C)NC(=O)C(C1=CC=NC=C1)N(C2=CC3=C(C=C2)OCO3)C(=O)CNC(=O)C4=CC=CO4
Compound: 3-[(2-chlorophenyl)methyl]-7-oxo-N-(thiophen-2-ylmethyl)-2H-triazolo[4,5-d]pyrimidine-5-carboxamide
SMILES: C1=CC=C(C(=C1)CN2C3=NC(=NC(=O)C3=NN2)C(=O)NCC4=CC=CS4)Cl
Compound: 2-phenylmethoxy-1-naphthalenecarboxaldehyde
SMILES: C1=CC=C(C=C1)COC2=C(C3=CC=CC=C3C=C2)C=O
Compound: 2-methyl-N-(4-oxo-2-sulfanylidene-3-thiazolidinyl)benzamide
SMILES: CC1=CC=CC=C1C(=O)NN2C(=O)CSC2=S
Compound: 1-[(4-methylphenyl)methyl]-4-(1-pyrrolidinyl)pyrazolo[3,4-d]pyrimidine
SMILES: CC1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)N4CCCC4
Compound: 5-[(4-fluorophenyl)methylsulfonylmethyl]-N-(2-oxolanylmethyl)-2-furancarboxamide
SMILES: C1CC(OC1)CNC(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=C(C=C3)F
Compound: N'-[(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-2-(phenylthio)acetohydrazide
SMILES: C1=CC=C(C=C1)SCC(=O)NNC=C2C=CC=CC2=O
Compound: N-[2-(methylthio)phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide
SMILES: CSC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OCCO3
Compound: N-phenyl-4-pyridin-4-yl-2-thiazolamine
SMILES: C1=CC=C(C=C1)NC2=NC(=CS2)C3=CC=NC=C3
Compound: 3-(2-benzo[cd]indolylamino)benzoic acid
SMILES: C1=CC2=C3C(=C1)C(=NC3=CC=C2)NC4=CC=CC(=C4)C(=O)O
Compound: 1-(1,3-benzodioxol-5-yl)-3-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]urea
SMILES: CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)NC3=CC4=C(C=C3)OCO4
Compound: N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-chloro-2-methyl-3-pyrazolecarboxamide
SMILES: CN1C(=C(C=N1)Cl)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)N
Compound: 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetic acid methyl ester
SMILES: COC(=O)COC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=NC=C2
Compound: 4-(2,5-dioxo-1-pyrrolidinyl)-N-[4-(4-methoxyphenyl)-2-thiazolyl]benzamide
SMILES: COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O
Compound: 1,2-dihydroacenaphthylen-5-yl-[1-(2-pyridinylmethyl)-3-piperidinyl]methanone
SMILES: C1CC(CN(C1)CC2=CC=CC=N2)C(=O)C3=C4C=CC=C5C4=C(CC5)C=C3
Compound: LSM-32568
SMILES: CCN1CCN(CC1)C2=NC3=C(C4=C(S3)CCC(C4)C)C5=NC=NN52
Compound: 7-(1-azepanyl)-2-oxoheptanal oxime
SMILES: C1CCCN(CC1)CCCCCC(=O)C=NO
Compound: 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(2-pyridinyl)-1,2,4-oxadiazole
SMILES: CCOC1=C(C=CC(=N1)C)C2=NOC(=N2)C3=CC=CC=N3
Compound: 7'-hydroxy-4'-(4-methoxyphenyl)-4,4,5'-trimethyl-2-spiro[1,3-diazinane-6,2'-3,4-dihydro-2H-1-benzopyran]thione
SMILES: CC1=CC(=CC2=C1C(CC3(O2)CC(NC(=S)N3)(C)C)C4=CC=C(C=C4)OC)O
Compound: 4,5-dimethyl-3-(2-oxolanylmethyl)-1H-imidazole-2-thione
SMILES: CC1=C(N(C(=S)N1)CC2CCCO2)C
Compound: 5-hydroxypenta-2,4-diene-1,2,5-tricarboxylate(3-)
SMILES: OC(=CC=C(CC([O-])=O)C([O-])=O)C([O-])=O
Compound: 2-methyl-N-[[[oxo-(3,4,5-trimethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide
SMILES: CC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC(=C(C(=C2)OC)OC)OC
Compound: 1-(4-fluorophenyl)-2-[[4-(2-furanylmethyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]ethanone
SMILES: C1=CC=C(C=C1)OCC2=NN=C(N2CC3=CC=CO3)SCC(=O)C4=CC=C(C=C4)F
Compound: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(8-quinolinylsulfonyl)-2-pyrrolidinyl]methanone
SMILES: C1CC(N(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)N4CCC5=CC=CC=C5C4
Compound: 4-amino-N5-[1-(2-furanyl)-2-(3-methylbutylamino)-2-oxoethyl]-N5-(2-methoxyphenyl)isothiazole-3,5-dicarboxamide
SMILES: CC(C)CCNC(=O)C(C1=CC=CO1)N(C2=CC=CC=C2OC)C(=O)C3=C(C(=NS3)C(=O)N)N
Compound: N-[(2-methoxyphenyl)methyl]-6H-indolo[2,3-b]quinoxaline-2-carboxamide
SMILES: COC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)N=C4C(=N3)C5=CC=CC=C5N4
Compound: 1-cyclopentyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea
SMILES: COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(C3CCCC3)C(=O)NC4=CC=CC=C4OC
Compound: 3-[5-(4-methoxyphenyl)-1-(2-oxolanylmethyl)-2-pyrrolyl]propanoic acid
SMILES: COC1=CC=C(C=C1)C2=CC=C(N2CC3CCCO3)CCC(=O)O
Compound: 1-(4-methylphenyl)sulfonyl-4-(2-naphthalenylsulfonyl)-1,4-diazepane
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3
Compound: N'-[2-(cyclopentylamino)-2-oxoethyl]-N'-(3,4-dimethylphenyl)-N-(2-pyridinyl)pentanediamide
SMILES: CC1=C(C=C(C=C1)N(CC(=O)NC2CCCC2)C(=O)CCCC(=O)NC3=CC=CC=N3)C
Compound: 4-[(4-oxo-3-phenyl-2-phenylimino-5-thiazolidinylidene)methyl]benzoic acid
SMILES: C1=CC=C(C=C1)N=C2N(C(=O)C(=CC3=CC=C(C=C3)C(=O)O)S2)C4=CC=CC=C4
Compound: 3-methyl-2-methylene-1,5-diphenylpentane-1,5-dione
SMILES: CC(CC(=O)C1=CC=CC=C1)C(=C)C(=O)C2=CC=CC=C2
Compound: 4-hydroxy-1,7,7-trimethyl-3-(2,4,6-trimethylphenyl)-6,8-dihydroquinoline-2,5-dione
SMILES: CC1=CC(=C(C(=C1)C)C2=C(C3=C(CC(CC3=O)(C)C)N(C2=O)C)O)C
Compound: 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(2-ethylphenyl)acetamide
SMILES: CCC1=CC=CC=C1NC(=O)CN(C)CC2=NC(=NC(=N2)NC3=CC=CC=C3C)N
Compound: 2-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-4-(3-methoxyphenyl)thiazole
SMILES: COC1=CC=CC(=C1)C2=CSC(=N2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F
Compound: N-[4-[oxo(1-piperidinyl)methyl]phenyl]-2-thiophenecarboxamide
SMILES: C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3
Compound: 2-(4-methylphenyl)sulfonyl-1-(4,6,7-trimethyl-2-quinazolinyl)guanidine
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N=C(N)NC2=NC3=CC(=C(C=C3C(=N2)C)C)C
Compound: 4-[[(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methylidene]-1-cyclohexa-2,5-dienone
SMILES: C1=CC=C(C=C1)C2=NNC(=S)N2NC=C3C=CC(=O)C=C3
Compound: 2-phenoxyacetic acid (8-methyl-2-oxo-1H-quinolin-3-yl)methyl ester
SMILES: CC1=CC=CC2=C1NC(=O)C(=C2)COC(=O)COC3=CC=CC=C3
Compound: 2-[1-[2-(diethylamino)-2-oxoethyl]-3-indolyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoacetamide
SMILES: CCN(CC)C(=O)CN1C=C(C2=CC=CC=C21)C(=O)C(=O)NC3=CC4=C(C=C3)OCCO4
Compound: 5,6-dichloro-4-(4-methylphenyl)-1H-pyrazine-2,3-dione
SMILES: CC1=CC=C(C=C1)N2C(=C(NC(=O)C2=O)Cl)Cl
Compound: benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester
SMILES: C1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=CS2
Compound: LSM-32594
SMILES: CC1=CC(=C(C=C1)N=C2CC(=O)CC(C2)(C)C)N
Compound: LSM-32595
SMILES: CCOC1=C(C=C(C=C1)C2C(C(=O)C(=O)N2C3=NOC(=C3)C)C(=O)C4=CC(=CC=C4)OC)OC
Compound: 3-(4-chlorophenyl)-5-[(phenylthio)methyl]isoxazole
SMILES: C1=CC=C(C=C1)SCC2=CC(=NO2)C3=CC=C(C=C3)Cl
Compound: 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
SMILES: C1OC2=C(O1)C=C(C=C2)CNC=C3C(=O)NC(=S)N(C3=O)CC4=CC=C(C=C4)F
Compound: 5-(2-fluorophenyl)-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
SMILES: CC1CC2=C(O1)C=CC(=C2)C(=O)C3C(N(C(=O)C3=O)CCN4CCOCC4)C5=CC=CC=C5F
Compound: 1-(4-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
SMILES: COC1=CC=C(C=C1)NC(=O)NC2=NC3=C(S2)CCCC3
Compound: N-(4-benzamido-3-methylphenyl)-1,3-benzodioxole-5-carboxamide
SMILES: CC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CC=C4
Compound: 2-chloro-N-[2-[2-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILES: CC1=NN(C(=C1C=NNC(=O)CNC(=O)C2=CC=CC=C2Cl)Cl)C3=CC=CC=C3
Compound: 5-(4-bromophenyl)-N,N-diethyl-3-isoxazolecarboxamide
SMILES: CCN(CC)C(=O)C1=NOC(=C1)C2=CC=C(C=C2)Br
Compound: N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester
SMILES: COC(=O)NC1=NN=C(S1)CC2=CC=CC=C2
Compound: [9-(benzenesulfonyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl]-(4-methylphenyl)methanone
SMILES: CC1=CC=C(C=C1)C(=O)C2=C(C3=CC4=C(C=C3N=C2)OCCO4)S(=O)(=O)C5=CC=CC=C5
Compound: 1-(3-chlorophenyl)-N-[4-(2-methoxyphenyl)-1-piperazinyl]methanimine
SMILES: COC1=CC=CC=C1N2CCN(CC2)N=CC3=CC(=CC=C3)Cl
Compound: N-[[(5-chloro-2-pyridinyl)amino]-sulfanylidenemethyl]-3-methylbutanamide
SMILES: CC(C)CC(=O)NC(=S)NC1=NC=C(C=C1)Cl
Compound: 2-cyano-3-(4,5-dimethoxy-2-nitrophenyl)-N-(2-oxolanylmethyl)-2-propenamide
SMILES: COC1=C(C=C(C(=C1)C=C(C#N)C(=O)NCC2CCCO2)[N+](=O)[O-])OC
Compound: N-(2-ethoxyphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILES: CCOC1=CC=CC=C1NS(=O)(=O)C2=CC=CC3=NSN=C32
Compound: 4-[[1-(2-furanylmethyl)-2,4,6-trioxo-3-propan-2-yl-1,3-diazinan-5-ylidene]methylamino]benzenesulfonamide
SMILES: CC(C)N1C(=O)C(=CNC2=CC=C(C=C2)S(=O)(=O)N)C(=O)N(C1=O)CC3=CC=CO3
Compound: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(1-ethyl-2-pyrrolidinyl)methyl]-3-(2-methoxyphenyl)urea
SMILES: CCN1CCCC1CN(CC2=CC3=C(C(=C(C=C3)C)C)NC2=O)C(=O)NC4=CC=CC=C4OC
Compound: N-[5-ethyl-3-[(4-fluorophenyl)-(4-morpholinyl)methyl]-2-thiophenyl]benzamide
SMILES: CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC=C(C=C3)F)N4CCOCC4
Compound: N-[2-[2-[2-(4-ethoxyanilino)-2-oxoethyl]-5-tetrazolyl]phenyl]-2-thiophenecarboxamide
SMILES: CCOC1=CC=C(C=C1)NC(=O)CN2N=C(N=N2)C3=CC=CC=C3NC(=O)C4=CC=CS4
Compound: 2-[4-chloro-5-(cyclopentylsulfamoyl)-2-methylphenoxy]-N-cyclohexylacetamide
SMILES: CC1=CC(=C(C=C1OCC(=O)NC2CCCCC2)S(=O)(=O)NC3CCCC3)Cl
Compound: LSM-32614
SMILES: COCCN1C=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2N=CC5=CC(=CC=C5)OC
Compound: [3-fluoro-4-(4-morpholinyl)phenyl]-(4-methylphenyl)methanone
SMILES: CC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)N3CCOCC3)F
Compound: N-[1-[4-(1-imidazolyl)phenyl]ethylideneamino]-2-(4-methoxyphenoxy)acetamide
SMILES: CC(=NNC(=O)COC1=CC=C(C=C1)OC)C2=CC=C(C=C2)N3C=CN=C3
Compound: 1-(phenylmethyl)-N'-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarbohydrazide
SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)NNC(=O)C2CCN(CC2)CC3=CC=CC=C3)C
Compound: 1'-methyl-2'-spiro[12H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]one
SMILES: CN1C2=CC=CC=C2C3(C1=O)N=C4C=CC=CC4=C5N3C6=CC=CC=C6N5
Compound: 6,7-dimethoxy-3-propoxy-3H-isobenzofuran-1-one
SMILES: CCCOC1C2=C(C(=C(C=C2)OC)OC)C(=O)O1
Compound: 3-oxo-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)thio]butanoic acid ethyl ester
SMILES: CCOC(=O)C(C(=O)C)SC1=CC(=NC2=NC=NN12)C3=CC=CC=C3
Compound: N-[2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]carbamic acid ethyl ester
SMILES: CCOC(=O)NN1C(NC2=CC=CC=C2C1=O)C3=CC=C(C=C3)OC
Compound: N-[(6-chloro-4-oxo-1-benzopyran-3-yl)methylideneamino]-4-hydroxy-3-methoxybenzamide
SMILES: COC1=C(C=CC(=C1)C(=O)NN=CC2=COC3=C(C2=O)C=C(C=C3)Cl)O
Compound: 2-(4-methoxyphenyl)-3-(3-pyridinyl)-4-quinazolinone
SMILES: COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2C4=CN=CC=C4