MonarchInit/C3PO huggingface dataset:
Compound: N-[[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]-4-pyridinecarboxamide
SMILES: C1=CC=C(C=C1)C(=NNC(=O)C2=CC=NC=C2)CC3=NC=CN3
Compound: (4,7-dichloro-1,3-benzothiazol-2-yl)hydrazine
SMILES: C1=CC(=C2C(=C1Cl)N=C(S2)NN)Cl
Compound: 4-[methyl-(4-thiophen-2-yl-2-thiazolyl)amino]phenol
SMILES: CN(C1=CC=C(C=C1)O)C2=NC(=CS2)C3=CC=CS3
Compound: 7-(3-hydroxyphenyl)-5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(N=C2N=CNN2C1C3=CC(=CC=C3)O)C4=CC=CC=C4
Compound: 4-[(7-methyl-2-phenyl-3-imidazo[1,2-a]pyridinyl)methyl]morpholine
SMILES: CC1=CC2=NC(=C(N2C=C1)CN3CCOCC3)C4=CC=CC=C4
Compound: 2,3-dihydro-1,4-dioxin-5-carboxylic acid (2-oxo-2-thiophen-2-ylethyl) ester
SMILES: C1COC(=CO1)C(=O)OCC(=O)C2=CC=CS2
Compound: 3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
SMILES: CC(C)OC1=CC=C(C=C1)CNC(=O)CC(C2=CC=CC=C2)C3=C(C=CC(=C3)Cl)O
Compound: 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]-N-(2-pyridinyl)acetamide
SMILES: C1=CC=NC(=C1)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]
Compound: LSM-28160
SMILES: C1CN2C3=C(C=CC=C31)C(=C(C2=O)C4=CC=CC=C4)OC(=O)C5=CC=C(C=C5)Cl
Compound: 2-chloro-N-[5-ethyl-3-[(4-methylphenyl)-oxomethyl]-2-thiophenyl]acetamide
SMILES: CCC1=CC(=C(S1)NC(=O)CCl)C(=O)C2=CC=C(C=C2)C
Compound: 5-tert-butyl-2-methyl-3-phenyl-N-(2-pyridinylmethyl)-7-pyrazolo[1,5-a]pyrimidinamine
SMILES: CC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C(C)(C)C)NCC4=CC=CC=N4
Compound: 1-(3,5-dichlorophenyl)-3-phenylurea
SMILES: C1=CC=C(C=C1)NC(=O)NC2=CC(=CC(=C2)Cl)Cl
Compound: N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester
SMILES: COC1=CC=CC=C1C2=NN=C(S2)NC(=O)OC
Compound: 2-(2-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-5-(1-piperidinyl)oxazole
SMILES: C1CCN(CC1)C2=C(N=C(O2)C3=CC=CC=C3F)S(=O)(=O)C4=CC=C(C=C4)F
Compound: 5-ethoxy-2-[(prop-2-enylamino)methylidene]-1-benzothiophen-3-one
SMILES: CCOC1=CC2=C(C=C1)SC(=CNCC=C)C2=O
Compound: 3-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one
SMILES: CC1=CC=CC=C1N2C(=NNC2=S)C3=NNC(=O)C=C3
Compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(3-methyl-2-imidazo[4,5-b]pyridinyl)thio]acetamide
SMILES: CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(N3C)N=CC=C4
Compound: 2-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-4-propan-2-ylphenol
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(C=CC(=C3)C(C)C)O
Compound: 2-[[1-oxo-2-(2-oxo-1,3-benzothiazol-3-yl)ethyl]amino]benzoic acid
SMILES: C1=CC=C(C(=C1)C(=O)O)NC(=O)CN2C3=CC=CC=C3SC2=O
Compound: 2-[[(4-chlorophenyl)thio]methyl]imidazo[1,2-a]pyridine
SMILES: C1=CC2=NC(=CN2C=C1)CSC3=CC=C(C=C3)Cl
Compound: LSM-28172
SMILES: CC1CN(CC(O1)C)C(=O)C2=CC3=C(N2CCCOC)N=C4C=CC=CN4C3=O
Compound: N-[(1,3-dioxo-2-phenyl-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl)methyl]-4-methylbenzenesulfonamide
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC23C=CC(O2)C4C3C(=O)N(C4=O)C5=CC=CC=C5
Compound: 3-(4-ethoxyphenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione
SMILES: CCOC1=CC=C(C=C1)C2=NNC(=S)N2CC3=CC=CC=C3
Compound: N-[2-(2-chlorophenyl)-5-hydroxy-4-oxo-1-benzopyran-8-yl]-2-(trifluoromethoxy)benzenesulfonamide
SMILES: C1=CC=C(C(=C1)C2=CC(=O)C3=C(C=CC(=C3O2)NS(=O)(=O)C4=CC=CC=C4OC(F)(F)F)O)Cl
Compound: 5-[[3-(1,5-dimethyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-propan-2-yl ester
SMILES: CCOC(=O)C1=C(C(=C(S1)NC(=O)C=CC2=C(N(N=C2)C)C)C(=O)OC(C)C)C
Compound: 2-[5-(3,4-diethoxyphenyl)-2-tetrazolyl]-N-(3-methoxyphenyl)acetamide
SMILES: CCOC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)NC3=CC(=CC=C3)OC)OCC
Compound: 6,7-dimethoxy-2-(2-thiazolyl)-3H-isoindol-1-one
SMILES: COC1=C(C2=C(CN(C2=O)C3=NC=CS3)C=C1)OC
Compound: N-(4-acetamidophenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILES: CC1CCC2=NN(C=C2C1)CC(=O)NC3=CC=C(C=C3)NC(=O)C
Compound: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILES: C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3=NN=C(S3)C(F)(F)F)C#N
Compound: 2-(2-bromophenyl)-3-[3-(4-morpholinyl)propyl]-1,2-dihydroquinazolin-4-one
SMILES: C1COCCN1CCCN2C(NC3=CC=CC=C3C2=O)C4=CC=CC=C4Br
Compound: N-(4-fluorophenyl)-4-(2-oxolanylmethylsulfamoyl)benzamide
SMILES: C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)F
Compound: 2-[(2-acetamido-1-oxoethyl)amino]-N-(4-methoxyphenyl)-2-(4-methylphenyl)acetamide
SMILES: CC1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)OC)NC(=O)CNC(=O)C
Compound: 6-amino-4-(2,5-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
SMILES: CC1=CC=C(C=C1)N2C3=C(C(C(=C(O3)N)C#N)C4=C(C=CC(=C4)OC)OC)C(=N2)C
Compound: (3R,3aS,7R,7aS)-3-[3-(4-acetylphenyl)-4-fluorophenyl]-7-methyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
SMILES: C[C@@H]1CC=C[C@H]2[C@H]1C(=O)N([C@H]2C3=CC(=C(C=C3)F)C4=CC=C(C=C4)C(=O)C)CC5=CC=CC=C5
Compound: 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(2-fluorophenoxy)ethanone
SMILES: CCC1=C(C=C(C(=C1)C(=O)COC2=CC=CC=C2F)O)O
Compound: LSM-28187
SMILES: CC1(CC2=C3C4=C(C(=NC=N4)NCC5CCCO5)SC3=NC(=C2CO1)C6=CC=CO6)C
Compound: benzocaine
SMILES: CCOC(=O)c1ccc(N)cc1
Compound: 2'-deoxycytidine dimer
SMILES: C12C(C3C1N(C(N=C3N)=O)[C@@H]4O[C@@H]([C@H](C4)O)CO)C(=NC(N2[C@@H]5O[C@@H]([C@H](C5)O)CO)=O)N
Compound: N-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-2-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]acetamide
SMILES: C1CN(CCN1CCCNC(=O)CNC(=O)CN2C=CC3=CC=CC=C3C2=O)C4=CC(=CC=C4)Cl
Compound: 8-methyl-N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILES: CC1=CC=C(C=C1)CNC2=NC3=C(C=C(C=C3)C)N4C2=NN=C4
Compound: 1-(2-methyl-6-propan-2-ylphenyl)-5-phenyltetrazole
SMILES: CC1=C(C(=CC=C1)C(C)C)N2C(=NN=N2)C3=CC=CC=C3
Compound: N-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]-5-(3,4-dimethoxyphenyl)-3-isoxazolecarboxamide
SMILES: CC1=CC(=NN1CC2=CC=C(C=C2)Cl)NC(=O)C3=NOC(=C3)C4=CC(=C(C=C4)OC)OC
Compound: 4-(4-methylphenyl)-2-[[3-(4-morpholinyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)CCN3CCOCC3
Compound: 6-amino-3-(methoxymethyl)-5-spiro[2H-pyrano[2,3-c]pyrazole-4,4'-thiane]carbonitrile
SMILES: COCC1=C2C(=NN1)OC(=C(C23CCSCC3)C#N)N
Compound: 1-[2-(dimethylamino)ethyl]-5-methoxy-N-methyl-2-indolecarboxamide
SMILES: CNC(=O)C1=CC2=C(N1CCN(C)C)C=CC(=C2)OC
Compound: 2-chloro-5-[[1-oxo-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)thio]ethyl]amino]benzoic acid
SMILES: C1=CC(=C(C=C1NC(=O)CSC2=NN=C(S2)C3=CC=NC=C3)C(=O)O)Cl
Compound: 5-(2-ethoxyphenyl)-3H-1,3,4-oxadiazole-2-thione
SMILES: CCOC1=CC=CC=C1C2=NNC(=S)O2
Compound: 2-[[[3-(2,5-dioxo-1-pyrrolidinyl)phenyl]-oxomethyl]amino]-4-(4-phenylphenyl)-3-thiophenecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)N5C(=O)CCC5=O
Compound: 2-[[2-(2-methylphenoxy)ethylthio]methyl]-1H-benzimidazole
SMILES: CC1=CC=CC=C1OCCSCC2=NC3=CC=CC=C3N2
Compound: 9-hydroxy-4-[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-2,3-dihydro-1H-[1]benzopyrano[3,4-b]pyridin-5-one
SMILES: C1CC2=C(C(=O)OC3=C2C=C(C=C3)O)N(C1)C(=O)CN4CCN(CC4)CC5=CC=CC=C5
Compound: 4-methyl-N-[(5-nitro-2-furanyl)methylideneamino]-2-quinolinamine
SMILES: CC1=CC(=NC2=CC=CC=C12)NN=CC3=CC=C(O3)[N+](=O)[O-]
Compound: 2-[(1,3-dimethyl-2,6-dioxo-7-propyl-8-purinyl)thio]-N-[2-(1-piperidinyl)phenyl]acetamide
SMILES: CCCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3N4CCCCC4)N(C(=O)N(C2=O)C)C
Compound: 1,1-dimethyl-3-[3-(4-morpholinyl)propyl]-3-(1-naphthalenylmethyl)urea
SMILES: CN(C)C(=O)N(CCCN1CCOCC1)CC2=CC=CC3=CC=CC=C32
Compound: 1-[(4-fluorophenyl)-oxomethyl]-3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]-2-azepanone
SMILES: CC1=CC2=NN=C(N2C3=CC=CC=C13)SC4CCCCN(C4=O)C(=O)C5=CC=C(C=C5)F
Compound: 5-amino-1-(3,5-dimethylphenyl)-N-(phenylmethyl)-4-triazolecarboxamide
SMILES: CC1=CC(=CC(=C1)N2C(=C(N=N2)C(=O)NCC3=CC=CC=C3)N)C
Compound: acetic acid [2-[2-(2-acetyloxy-5-methoxy-3-nitrophenyl)ethenyl]-4-quinolinyl] ester
SMILES: CC(=O)OC1=CC(=NC2=CC=CC=C21)C=CC3=CC(=CC(=C3OC(=O)C)[N+](=O)[O-])OC
Compound: 3-methoxy-N-[4-methyl-2-(4-morpholinyl)-6-quinolinyl]benzamide
SMILES: CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C3=CC(=CC=C3)OC)N4CCOCC4
Compound: 2-[[5-cyano-2-(3,4-dimethoxyphenyl)-4-oxo-2,3-dihydro-1,3-thiazin-6-yl]thio]acetic acid ethyl ester
SMILES: CCOC(=O)CSC1=C(C(=O)NC(S1)C2=CC(=C(C=C2)OC)OC)C#N
Compound: 4-amino-5-[(3-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-3H-thiazol-2-one
SMILES: CCOC1=CC(=CC2=C(NC(=O)S2)N)C=CC1=O
Compound: 2-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-(4-fluoro-3-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILES: CCN1C=C(C(=N1)C)CN2CCC3=C(C2C4=CC(=C(C=C4)F)OC)NC5=CC=CC=C35
Compound: 2-[[3-cyano-4-(5-methyl-2-furanyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]acetic acid methyl ester
SMILES: CC1=CC=C(O1)C2=C(C(=NC3=C2CCCC3)SCC(=O)OC)C#N
Compound: 2-[5-(anilinomethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid
SMILES: C1=CC=C(C=C1)NC=C2C(=O)N(C(=S)S2)CC(=O)O
Compound: 1-(4-fluorophenyl)-4-[[1-(2-phenylethyl)-5-tetrazolyl]-thiophen-2-ylmethyl]piperazine
SMILES: C1CN(CCN1C2=CC=C(C=C2)F)C(C3=CC=CS3)C4=NN=NN4CCC5=CC=CC=C5
Compound: 4-(2,4-dichlorophenoxy)-N-[1-(5-methyl-3-nitro-1-pyrazolyl)propan-2-ylideneamino]butanamide
SMILES: CC1=CC(=NN1CC(=NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl)C)[N+](=O)[O-]
Compound: N-(4-chlorophenyl)-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]propanamide
SMILES: C1=CC(=CC=C1NC(=O)CCSC2=NN=C(O2)C3=CC=NC=C3)Cl
Compound: N-[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]cyclohexanecarboxamide
SMILES: C1CCC(CC1)C(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)C4=CC=C(C=C4)F
Compound: N-(1,3-benzodioxol-5-yl)-2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfinylacetamide
SMILES: CC1=C(C=C(C=C1)NC(=O)CS(=O)CC(=O)NC2=CC3=C(C=C2)OCO3)Cl
Compound: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-8-methyl-4-oxo-2-thieno[3,2-c][1]benzopyrancarboxamide
SMILES: CC1=CC2=C(C=C1)OC(=O)C3=C2SC(=C3)C(=O)NCCN4CCC5=CC=CC=C5C4
Compound: 2,5-bis[(3,4-dimethoxyphenyl)methylidene]-1-cyclopentanone
SMILES: COC1=C(C=C(C=C1)C=C2CCC(=CC3=CC(=C(C=C3)OC)OC)C2=O)OC
Compound: N,N-dimethyl-4-[[3-[3-(5-methyl-2-furanyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]sulfonyl]benzenesulfonamide
SMILES: CC1=CC=C(O1)C2=NOC(=N2)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)N(C)C
Compound: 2-thiophenecarboxylic acid [3-methyl-1-oxo-1-(thiophen-2-ylmethylamino)butan-2-yl] ester
SMILES: CC(C)C(C(=O)NCC1=CC=CS1)OC(=O)C2=CC=CS2
Compound: 7-cyclohexyl-3-(4-morpholinyl)-1-(1-piperidinyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILES: C1CCC(CC1)N2CCC3=C(C(=NC(=C3C2)N4CCCCC4)N5CCOCC5)C#N
Compound: N-[(3-benzamidoanilino)-sulfanylidenemethyl]-2-thiophenecarboxamide
SMILES: C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=CS3
Compound: 8-(9-methyl-5H-pyrimido[5,4-b]indol-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILES: CC1=C2C(=CC=C1)NC3=C2N=CN=C3N4CCC5(CC4)OCCO5
Compound: 2-[(1-methyl-2-imidazolyl)thio]-1-(2-naphthalenyl)ethanone
SMILES: CN1C=CN=C1SCC(=O)C2=CC3=CC=CC=C3C=C2
Compound: 2-amino-6-[4-(6-chloro-2-pyridinyl)-1-piperazinyl]pyridine-3,5-dicarbonitrile
SMILES: C1CN(CCN1C2=NC(=CC=C2)Cl)C3=NC(=C(C=C3C#N)C#N)N
Compound: 1-(1,3-benzodioxol-5-yl)-3-[4-(4-hydroxyphenyl)-1-piperazinyl]pyrrolidine-2,5-dione
SMILES: C1CN(CCN1C2CC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)O
Compound: N2-(4-fluorophenyl)-6-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-1,3,5-triazine-2,4-diamine
SMILES: C1CN(CCN1CC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N)C4=CC=CC=N4
Compound: 4-[4-[(5,6-dimethyl-1-benzimidazolyl)sulfonyl]phenyl]sulfonylmorpholine
SMILES: CC1=CC2=C(C=C1C)N(C=N2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4
Compound: 3-bromo-N-(4-methyl-2-oxo-1-benzopyran-7-yl)benzamide
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C3=CC(=CC=C3)Br
Compound: LSM-28231
SMILES: CCC1=NN2C=NC3=C(C2=N1)C=NN3C4=C(C=CC(=C4)Cl)C
Compound: 2-(3,5-dimethylphenoxy)-N-[3-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
SMILES: CC1=CC(=CC(=C1)OCC(=O)NC2=CC=CC(=C2)C3=NN=C(O3)C4=CC=CO4)C
Compound: 3-(3,4,5-trimethoxyphenyl)-2-propenoic acid [2-oxo-2-(2-phenylethylamino)ethyl] ester
SMILES: COC1=CC(=CC(=C1OC)OC)C=CC(=O)OCC(=O)NCCC2=CC=CC=C2
Compound: 2-[(6-methyl-4-spiro[3,4-dihydro-2H-1-benzopyran-2,1'-cyclopentane]yl)thio]-N-(2-phenylethyl)acetamide
SMILES: CC1=CC2=C(C=C1)OC3(CCCC3)CC2SCC(=O)NCCC4=CC=CC=C4
Compound: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester
SMILES: CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C
Compound: 2-[4-[1-[1-[(4-methylphenyl)sulfonylmethyl]-5-tetrazolyl]propyl]-1-piperazinyl]-1,3-benzothiazole
SMILES: CCC(C1=NN=NN1CS(=O)(=O)C2=CC=C(C=C2)C)N3CCN(CC3)C4=NC5=CC=CC=C5S4
Compound: 2-(2,4-dichlorophenyl)-3-(phenylmethyl)-1,2-dihydroquinazolin-4-one
SMILES: C1=CC=C(C=C1)CN2C(NC3=CC=CC=C3C2=O)C4=C(C=C(C=C4)Cl)Cl
Compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethyl-1-pyrazolyl)benzamide
SMILES: CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCCO4)C
Compound: 2-[5-[(4-hydroxy-3-nitrophenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]-N-(3-methylphenyl)acetamide
SMILES: CC1=CC(=CC=C1)NC(=O)CN2C(=O)C(=CC3=CC(=C(C=C3)O)[N+](=O)[O-])SC2=O
Compound: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[2-[2-(4-morpholinyl)-2-oxoethyl]-1-benzimidazolyl]acetamide
SMILES: C1COCCN1C(=O)CC2=NC3=CC=CC=C3N2CC(=O)NC4=CC5=C(C=C4)OC(O5)(F)F
Compound: 4-[2-[(2-chloro-3-quinolinyl)methylidene]hydrazinyl]benzoic acid
SMILES: C1=CC=C2C(=C1)C=C(C(=N2)Cl)C=NNC3=CC=C(C=C3)C(=O)O
Compound: 3-[1-azepanyl-[1-[(4-fluorophenyl)methyl]-5-tetrazolyl]methyl]-6,7-dimethoxy-1H-quinolin-2-one
SMILES: COC1=C(C=C2C(=C1)C=C(C(=O)N2)C(C3=NN=NN3CC4=CC=C(C=C4)F)N5CCCCCC5)OC
Compound: 3-amino-N-tert-butyl-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILES: CC(C)(C)NC(=O)C1=C(C2=CC3=C(CCN(C3)C)N=C2S1)N
Compound: 4-[ethyl-(phenylmethyl)sulfamoyl]-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILES: CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4=CC=CC=C4OC
Compound: 3-[[2-(4-methyl-1-piperazinyl)-1-oxoethyl]amino]-2-benzofurancarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)CN3CCN(CC3)C
Compound: 1-(3,5-dichlorophenyl)-3-(4-morpholinyl)pyrrolidine-2,5-dione
SMILES: C1COCCN1C2CC(=O)N(C2=O)C3=CC(=CC(=C3)Cl)Cl
Compound: N-[4-(5-bromo-2-thiophenyl)-2-thiazolyl]acetamide
SMILES: CC(=O)NC1=NC(=CS1)C2=CC=C(S2)Br
Compound: 1,5-dimethyl-4-oxo-N-[3-(4-propyl-1-piperazinyl)propyl]-2-pyrrolo[3,2-c]quinolinecarboxamide
SMILES: CCCN1CCN(CC1)CCCNC(=O)C2=CC3=C(N2C)C4=CC=CC=C4N(C3=O)C
Compound: N-[4-[(4-methyl-1-piperidinyl)methyl]phenyl]-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide
SMILES: CC1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3CCN(CC3)C4=NN=C(S4)N5C=CC=C5
Compound: 4-(2-fluorophenyl)-5-(2-furanylmethyl)-3-(6-oxo-1-cyclohexa-2,4-dienylidene)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one
SMILES: C1=CC=C(C(=C1)C2C3=C(C(=O)N2CC4=CC=CO4)NNC3=C5C=CC=CC5=O)F
Compound: N-(4-methoxyphenyl)-2-(2-methylpropyl)-4-quinolinecarboxamide
SMILES: CC(C)CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC=C(C=C3)OC
Compound: 2-phenyl-5-sulfanylidene-3,7,8,9,10,11-hexahydropyrazolo[4,5]pyrimido[3,5-a]azepin-1-one
SMILES: C1CCC2=C3C(=NC(=S)N2CC1)NN(C3=O)C4=CC=CC=C4
Compound: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(2-methylphenoxy)propanamide
SMILES: CC1=CC=CC=C1OCCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C
Compound: 1-(3-methoxyphenyl)-2-[[4-methyl-5-[[(4-phenyl-2-thiazolyl)amino]methyl]-1,2,4-triazol-3-yl]thio]ethanone
SMILES: CN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)OC)CNC3=NC(=CS3)C4=CC=CC=C4
Compound: 3-[[2-benzofuranyl(oxo)methyl]amino]benzoic acid ethyl ester
SMILES: CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=CC=CC=C3O2
Compound: 5-(1-naphthalenylamino)-3H-1,3,4-thiadiazole-2-thione
SMILES: C1=CC=C2C(=C1)C=CC=C2NC3=NNC(=S)S3
Compound: 4-amino-N-(4-methoxyphenyl)-2-(methylthio)-5-thiazolecarboxamide
SMILES: COC1=CC=C(C=C1)NC(=O)C2=C(N=C(S2)SC)N
Compound: N-[1-oxo-1-[[4-(2-pyridinyl)-2-thiazolyl]amino]propan-2-yl]-2-furancarboxamide
SMILES: CC(C(=O)NC1=NC(=CS1)C2=CC=CC=N2)NC(=O)C3=CC=CO3
Compound: 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]-3-methylbutanoic acid
SMILES: CC(C)C(C(=O)O)SC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C#N
Compound: 4-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]benzoic acid methyl ester
SMILES: COC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=N2
Compound: 2'-deoxycytidine-thymidine dimer
SMILES: C12C(C3(C1N(C(NC3=O)=O)[C@@H]4O[C@@H]([C@H](C4)O)CO)C)C(=NC(N2[C@@H]5O[C@@H]([C@H](C5)O)CO)=O)N
Compound: N-(2,4-dimethylphenyl)-1-methyl-4-pyrazolo[3,4-d]pyrimidinamine
SMILES: CC1=CC(=C(C=C1)NC2=NC=NC3=C2C=NN3C)C
Compound: N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-thiophenecarboxamide
SMILES: C1=CC=C(C=C1)N2C(=NC(=N2)NC(=O)C3=CC=CS3)N
Compound: (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]methanone
SMILES: C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N4CCN(CC4)C(=O)C5=CC=CO5
Compound: 2-[[(4-ethoxyphenyl)-oxomethyl]amino]acetic acid [2-(9H-fluoren-3-yl)-2-oxoethyl] ester
SMILES: CCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)C2=CC3=C(CC4=CC=CC=C43)C=C2
Compound: 3-methylbenzoic acid [[amino-(4-bromophenyl)methylidene]amino] ester
SMILES: CC1=CC=CC(=C1)C(=O)ON=C(C2=CC=C(C=C2)Br)N
Compound: N'-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-2-(1-naphthalenyl)acetohydrazide
SMILES: CN1C2=C(C=N1)C(=NC=N2)NNC(=O)CC3=CC=CC4=CC=CC=C43
Compound: 4-(4-propan-2-yl-1-piperazinyl)phenol
SMILES: CC(C)N1CCN(CC1)C2=CC=C(C=C2)O
Compound: 5-[(3-methyl-2-thiophenyl)methylidene]-3-(2-oxolanylmethyl)-2-sulfanylidene-4-thiazolidinone
SMILES: CC1=C(SC=C1)C=C2C(=O)N(C(=S)S2)CC3CCCO3
Compound: N-(3-acetylphenyl)-3-(1-ethyl-3-methyl-4-pyrazolyl)-4,5-dihydroisoxazole-5-carboxamide
SMILES: CCN1C=C(C(=N1)C)C2=NOC(C2)C(=O)NC3=CC=CC(=C3)C(=O)C
Compound: 6-bromo-3-(3-chloroprop-2-enyl)-2-methyl-1H-quinoline-4-thione
SMILES: CC1=C(C(=S)C2=C(N1)C=CC(=C2)Br)CC=CCl
Compound: N-[2-(3-fluorophenyl)-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-N',N'-dimethylpropane-1,3-diamine
SMILES: CN(C)CCCNC1=CC(=NC2=CC(=NN21)C3=CC(=CC=C3)F)C4=CC=CC=C4
Compound: LSM-28273
SMILES: COC1=CC=C(C=C1)C2=NN3C(=C2)N=C4CCCC4=C3N5CCC6(CC5)OCCO6
Compound: 7-methoxy-2-phenylimino-1-benzopyran-3-carboxamide
SMILES: COC1=CC2=C(C=C1)C=C(C(=NC3=CC=CC=C3)O2)C(=O)N
Compound: LSM-28275
SMILES: COC1=CC=CC(=C1)C2C3C(=NC4=NC(=NN24)C5=CC(=C(C(=C5)OC)OC)OC)CCCC3=O
Compound: N-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-2-[(1-ethyl-2-oxo-4-quinolinyl)oxy]acetamide
SMILES: CCN1C2=CC=CC=C2C(=CC1=O)OCC(=O)NCCCN3CCN(CC3)C4=CC(=CC=C4)Cl
Compound: 6-[(2-chlorophenyl)methyl]-3-(3-methoxyphenyl)-7-triazolo[4,5-d]pyrimidinone
SMILES: COC1=CC=CC(=C1)N2C3=C(C(=O)N(C=N3)CC4=CC=CC=C4Cl)N=N2
Compound: LSM-28278
SMILES: C1CSC2=CC=CC3=C2C(=CC=C3)NC1=O
Compound: 2-(4-methoxyphenyl)-5-(2-methylpropylthio)-1,3,4-oxadiazole
SMILES: CC(C)CSC1=NN=C(O1)C2=CC=C(C=C2)OC
Compound: 1-[4-[3-[4-(4-fluorophenyl)-1-piperazinyl]-2-hydroxypropoxy]phenyl]-1-propanone
SMILES: CCC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=C(C=C3)F)O
Compound: 3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(3-fluoro-4-methylphenyl)propanamide
SMILES: CC1=C(C=C(C=C1)NC(=O)CCN2C(=O)C3=C(C=CS3)NC2=O)F
Compound: 2-(butylamino)-3-(3-chlorophenyl)-7-methyl-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-4-one
SMILES: CCCCNC1=NC2=C(C3=C(S2)CN(CC3)C)C(=O)N1C4=CC(=CC=C4)Cl
Compound: 2-acetamido-5-propyl-3-thiophenecarboxamide
SMILES: CCCC1=CC(=C(S1)NC(=O)C)C(=O)N
Compound: N-(4-methyl-2-nitrophenyl)-2-furancarboxamide
SMILES: CC1=CC(=C(C=C1)NC(=O)C2=CC=CO2)[N+](=O)[O-]
Compound: 3,5-dichloro-N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-pyridinamine
SMILES: CC(=NNC1=C(C=C(C=N1)Cl)Cl)C2=CC=C(C=C2)OC(F)F
Compound: N-[3-[butyl(ethyl)amino]propyl]-2-[6-(4-morpholinylsulfonyl)-3-oxo-1,4-benzothiazin-4-yl]acetamide
SMILES: CCCCN(CC)CCCNC(=O)CN1C(=O)CSC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3
Compound: 2-(4-benzoyl-1-piperazinyl)-N-(2-phenylphenyl)propanamide
SMILES: CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4
Compound: N-cycloheptyl-3-(2-quinoxalinyl)-2-propenamide
SMILES: C1CCCC(CC1)NC(=O)C=CC2=NC3=CC=CC=C3N=C2
Compound: 2-[5-(2-fluorophenyl)-2-tetrazolyl]-N-[2-oxo-2-[(phenylmethyl)amino]ethyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
SMILES: C1CCC2=C(C1)C=CC=C2N(CC(=O)NCC3=CC=CC=C3)C(=O)CN4N=C(N=N4)C5=CC=CC=C5F
Compound: 2-[(2-cyclopropyl-2-oxoethyl)thio]-4,6-dimethyl-3-pyridinecarbonitrile
SMILES: CC1=CC(=NC(=C1C#N)SCC(=O)C2CC2)C
Compound: 3,3',5'-triiodo-L-thyronine
SMILES: N[C@@H](Cc1ccc(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O
Compound: 5-[(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)methylidene]-2-sulfanylidene-4-thiazolidinone
SMILES: CC1=CC(=C(N1C2CC2)C)C=C3C(=O)NC(=S)S3
Compound: 2-(4-fluoro-3-nitrophenyl)-4,4-dimethyl-5H-oxazole
SMILES: CC1(COC(=N1)C2=CC(=C(C=C2)F)[N+](=O)[O-])C
Compound: 2-[(3-ethyl-7-methyl-4-oxo-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-2-yl)thio]-N-(2-phenylethyl)acetamide
SMILES: CCN1C(=O)C2=C(N=C1SCC(=O)NCCC3=CC=CC=C3)SC4=C2CCN(C4)C
Compound: 2-[4-(4-fluorophenyl)-2-thiazolyl]-5-methyl-4H-pyrazol-3-one
SMILES: CC1=NN(C(=O)C1)C2=NC(=CS2)C3=CC=C(C=C3)F
Compound: 2,4-dimethyl-6-oxo-N-[(2,4,6-trifluorophenyl)methyl]-3-pyrancarboxamide
SMILES: CC1=CC(=O)OC(=C1C(=O)NCC2=C(C=C(C=C2F)F)F)C
Compound: 6-amino-4-(2-ethoxy-4-hydroxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILES: CCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=C(C=C(C=C3)O)OCC
Compound: 2-(N-ethylanilino)-4-thieno[3,2-d][1,3]thiazinone
SMILES: CCN(C1=CC=CC=C1)C2=NC3=C(C(=O)S2)SC=C3
Compound: 2'-deoxycytidine 5'-monophosphate dimer
SMILES: C12C(C3C1N(C(N=C3N)=O)[C@@H]4O[C@@H]([C@H](C4)O)COP(=O)(O)O)C(=NC(N2[C@@H]5O[C@@H]([C@H](C5)O)COP(=O)(O)O)=O)N
Compound: 2-[2-(1,4-dimethyl-2-quinolinylidene)ethylidene]propanedinitrile
SMILES: CC1=CC(=CC=C(C#N)C#N)N(C2=CC=CC=C12)C
Compound: 6-[oxo-[2-[oxo-(2-phenylethylamino)methyl]anilino]methyl]-1-cyclohex-3-enecarboxylic acid
SMILES: C1C=CCC(C1C(=O)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3)C(=O)O
Compound: 2-cyclohexyl-9-methyl-1-oxo-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-4-pyrido[3,4-b]indolecarboxamide
SMILES: CN1C2=CC=CC=C2C3=C1C(=O)N(C=C3C(=O)NCCCN4CCCC4=O)C5CCCCC5
Compound: 2-[(2-furanylmethylthio)methyl]imidazo[1,2-a]pyrimidine
SMILES: C1=CN2C=C(N=C2N=C1)CSCC3=CC=CO3
Compound: 5-(3,4-dimethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]-4-pyrazolyl]-3-isoxazolecarboxamide
SMILES: CC1=CC=CC=C1CN2C=C(C=N2)NC(=O)C3=NOC(=C3)C4=CC(=C(C=C4)OC)OC
Compound: 4-[(3-methoxyphenyl)methylidene]-2-(3-methylphenyl)isoquinoline-1,3-dione
SMILES: CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3C(=CC4=CC(=CC=C4)OC)C2=O
Compound: 2-[3-(2-methylphenyl)-4-oxo-2-thiazolidinylidene]propanedinitrile
SMILES: CC1=CC=CC=C1N2C(=O)CSC2=C(C#N)C#N
Compound: 1-(2,1,3-benzothiadiazol-4-yl)-3-[(3,4-dimethoxyphenyl)methylideneamino]urea
SMILES: COC1=C(C=C(C=C1)C=NNC(=O)NC2=CC=CC3=NSN=C32)OC
Compound: 5-methyl-6-pyridin-4-yl-6H-benzimidazolo[1,2-c]quinazoline
SMILES: CN1C(N2C3=CC=CC=C3N=C2C4=CC=CC=C41)C5=CC=NC=C5
Compound: 1-[oxo-[4-oxo-6-[(4-propan-2-ylphenyl)sulfamoyl]-1H-quinolin-3-yl]methyl]-4-piperidinecarboxamide
SMILES: CC(C)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCC(CC4)C(=O)N
Compound: 5-(4-fluorophenyl)-2-thiophen-2-yloxazole
SMILES: C1=CSC(=C1)C2=NC=C(O2)C3=CC=C(C=C3)F
Compound: 4-[2-(1-methyl-2-benzimidazolyl)ethyl]aniline
SMILES: CN1C2=CC=CC=C2N=C1CCC3=CC=C(C=C3)N
Compound: 2,5-dimethoxy-N-(4-phenoxyphenyl)benzenesulfonamide
SMILES: COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3
Compound: 6-[6-(3-methoxyphenyl)-2,7-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-ylidene]-1-cyclohexa-2,4-dienone
SMILES: COC1=CC=CC(=C1)C2=NN3C(=C4C=CC=CC4=O)NN=C3SC2
Compound: 2-[(4-fluorophenoxy)methyl]-5-(1-piperidinyl)-4-oxazolecarbonitrile
SMILES: C1CCN(CC1)C2=C(N=C(O2)COC3=CC=C(C=C3)F)C#N
Compound: 2-[(7-methyl-4-oxo-3-phenyl-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-2-yl)thio]acetic acid methyl ester
SMILES: CN1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)OC)C4=CC=CC=C4
Compound: 4-[[3-[[(4-nitrophenyl)-oxomethyl]amino]-1-oxopropyl]amino]benzoic acid ethyl ester
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Compound: 4-(dimethylamino)-3-[(phenylmethoxyamino)methylideneamino]-2-thieno[2,3-b]pyridinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(C2=C(C=CN=C2S1)N(C)C)N=CNOCC3=CC=CC=C3
Compound: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-N-phenylacetamide
SMILES: C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3=CC=CC=C3)C#N
Compound: 4-[(5-bromo-2-thiophenyl)methylideneamino]-3-cyclohexyl-1H-1,2,4-triazole-5-thione
SMILES: C1CCC(CC1)C2=NNC(=S)N2N=CC3=CC=C(S3)Br
Compound: N-[2-[2-(dibutylamino)ethylamino]-2-oxoethyl]-2-thiophenecarboxamide
SMILES: CCCCN(CCCC)CCNC(=O)CNC(=O)C1=CC=CS1
Compound: 3-nitro-4-(2-oxolanylmethylamino)-N-(2-phenylethyl)benzamide
SMILES: C1CC(OC1)CNC2=C(C=C(C=C2)C(=O)NCCC3=CC=CC=C3)[N+](=O)[O-]
Compound: 3-(5,8-dinitro-1,3-dioxo-2-benzo[de]isoquinolinyl)benzoic acid
SMILES: C1=CC(=CC(=C1)N2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-])[N+](=O)[O-])C(=O)O
Compound: 2-[[2-(2-ethyl-1-piperidinyl)-2-oxoethyl]thio]-3-methyl-5H-pyrimido[5,4-b]indol-4-one
SMILES: CCC1CCCCN1C(=O)CSC2=NC3=C(C(=O)N2C)NC4=CC=CC=C43
Compound: N-[(4S)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]benzamide
SMILES: C[C@H]1C2CC(C2(C)C)CC1NC(=O)C3=CC=CC=C3
Compound: 5-methyl-4-[(5-oxo-2-sulfanylidene-4-imidazolidinylidene)methyl]-2-phenyl-4H-pyrazol-3-one
SMILES: CC1=NN(C(=O)C1C=C2C(=O)NC(=S)N2)C3=CC=CC=C3
Compound: N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-oxolanecarboxamide
SMILES: C1CC(OC1)C(=O)NC2=NN=C(S2)COC3=CC=C(C=C3)Cl
Compound: 2-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]-N-[3-(2-nitrophenyl)prop-2-enylideneamino]acetamide
SMILES: C1CN(CCN1CC2=CC=CC=C2Cl)CC(=O)NN=CC=CC3=CC=CC=C3[N+](=O)[O-]
Compound: 1-(4-tert-butylphenyl)-3-(3-pyridinylmethyl)thiourea
SMILES: CC(C)(C)C1=CC=C(C=C1)NC(=S)NCC2=CN=CC=C2
Compound: 5-(2-amino-4-thiazolyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester
SMILES: CC1=C(NC(=C1C(=O)OC)C)C2=CSC(=N2)N
Compound: 1-cyclopentyl-2-imino-10-methyl-5-oxo-N-(2-oxolanylmethyl)-3-dipyrido[3,4-c:1',2'-f]pyrimidinecarboxamide
SMILES: CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3C4CCCC4)C(=O)NCC5CCCO5
Compound: N-[6-[[cyclohexyl(oxo)methyl]amino]-3-pyridinyl]-2-pyridinecarboxamide
SMILES: C1CCC(CC1)C(=O)NC2=NC=C(C=C2)NC(=O)C3=CC=CC=N3
Compound: 2-[[6-amino-2-[3-(dimethylamino)propylamino]-5-nitro-4-pyrimidinyl]amino]ethanol
SMILES: CN(C)CCCNC1=NC(=C(C(=N1)NCCO)[N+](=O)[O-])N
Compound: N-[[4-(dimethylamino)phenyl]methyl]-3-ethyl-N-(2-furanylmethyl)-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide
SMILES: CCN1C=NC2=C(C1=O)C(=C(S2)C(=O)N(CC3=CC=C(C=C3)N(C)C)CC4=CC=CO4)C
Compound: 1-[1-[4-[(4-chlorophenyl)methoxy]phenyl]-2,5-dimethyl-3-pyrrolyl]-N-(1,2,4-triazol-4-yl)methanimine
SMILES: CC1=CC(=C(N1C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl)C)C=NN4C=NN=C4
Compound: 4-methoxy-N-(3-methylbutyl)-3-(4-morpholinylsulfonyl)benzamide
SMILES: CC(C)CCNC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCOCC2
Compound: 4-(2-oxo-1-benzopyran-3-yl)-N-(3-pyridinylmethyl)benzamide
SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4
Compound: 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxyphenyl)benzamide
SMILES: COC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C3=NC(=NO3)C4=CC=C(C=C4)F
Compound: N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[methyl-(1-methyl-4-piperidinyl)amino]acetamide
SMILES: CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN(C)C3CCN(CC3)C
Compound: 2-[[2-(3,4-dimethylanilino)-2-oxoethyl]thio]acetamide
SMILES: CC1=C(C=C(C=C1)NC(=O)CSCC(=O)N)C
Compound: 3-(3,4-dimethoxyphenyl)-5,7-dihydroxy-2-methyl-1-benzopyran-4-one
SMILES: CC1=C(C(=O)C2=C(C=C(C=C2O1)O)O)C3=CC(=C(C=C3)OC)OC
Compound: N-[4-(4-fluorophenyl)-2-thiazolyl]-3-methoxy-4-[2-(4-morpholinyl)-2-oxoethoxy]benzamide
SMILES: COC1=C(C=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)F)OCC(=O)N4CCOCC4
Compound: 3-(3-methylphenyl)-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-one
SMILES: CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4O3)NC2=S
Compound: N2,N4-bis(4-methoxyphenyl)pyrimidine-2,4-diamine
SMILES: COC1=CC=C(C=C1)NC2=NC(=NC=C2)NC3=CC=C(C=C3)OC
Compound: 4-acetyl-N-[4-(4-chlorophenyl)-2-thiazolyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILES: CC1=C(NC(=C1C(=O)C)C)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Cl
Compound: 3-(4-chlorophenyl)-6-(4-methyl-1-piperazinyl)-1H-pyrimidine-2,4-dione
SMILES: CN1CCN(CC1)C2=CC(=O)N(C(=O)N2)C3=CC=C(C=C3)Cl
Compound: 2-furanyl-[4-[(6-hydroxy-2-methyl-5-thiazolo[3,2-b][1,2,4]triazolyl)-thiophen-2-ylmethyl]-1-piperazinyl]methanone
SMILES: CC1=NN2C(=C(SC2=N1)C(C3=CC=CS3)N4CCN(CC4)C(=O)C5=CC=CO5)O
Compound: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(6-methoxy-3-benzofuranyl)-N-methylacetamide
SMILES: CN(CC1COC2=CC=CC=C2O1)C(=O)CC3=COC4=C3C=CC(=C4)OC
Compound: 2-[1-(4-tert-butylphenyl)sulfonyl-4-piperidinyl]-6-chloro-1H-benzimidazole
SMILES: CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=NC4=C(N3)C=C(C=C4)Cl
Compound: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
SMILES: CC1=C(C=C(C=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)S(=O)(=O)NC4=CC=C(C=C4)OC
Compound: 3-(1,3-benzothiazol-2-ylhydrazo)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
SMILES: CCC1=CC=C(C=C1)N2C(=O)CC(C2=O)NNC3=NC4=CC=CC=C4S3
Compound: N-(1,3-benzodioxol-5-yl)-2-[(1-ethyl-2-oxo-4-quinolinyl)thio]acetamide
SMILES: CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NC3=CC4=C(C=C3)OCO4
Compound: 1-[5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-1-propanone
SMILES: CCC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)OC)N
Compound: (3S,3'aR,8'aS,8'bS)-5-ethyl-2'-(phenylmethyl)spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
SMILES: CCC1=CC2=C(C=C1)NC(=O)[C@]23[C@H]4[C@@H]([C@H]5N3CCC5)C(=O)N(C4=O)CC6=CC=CC=C6
Compound: N-(1-adamantyl)-2-[(1-methyl-2-imidazolyl)thio]acetamide
SMILES: CN1C=CN=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3
Compound: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-fluorophenoxy)ethanone
SMILES: C1CN(CC2=CC=CC=C21)C(=O)COC3=CC=CC=C3F
Compound: 3-[(2-fluorophenyl)methyl]-5-[[1-(4-fluorophenyl)-2-pyrrolyl]methylidene]imidazolidine-2,4-dione
SMILES: C1=CC=C(C(=C1)CN2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)F)NC2=O)F
Compound: N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]butanamide
SMILES: CCCC(=O)NC1=CC2=C(C=C1)OC(=N2)C3=CC(=CN=C3)Br
Compound: N3-[4-(difluoromethoxy)phenyl]-1-(3,4-dimethylphenyl)-N7-(2-hydroxyethyl)-2-mercaptoimidazo[1,2-a]pyridin-4-ium-3,7-dicarboxamide
SMILES: CC1=C(C=C(C=C1)N2C3=[N+](C=CC(=C3)C(=O)NCCO)C(=C2S)C(=O)NC4=CC=C(C=C4)OC(F)F)C
Compound: N-[3-chloro-4-[4-[oxo-(4-propoxyphenyl)methyl]-1-piperazinyl]phenyl]propanamide
SMILES: CCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)CC)Cl
Compound: [2-(4-methoxyphenyl)-6-methyl-4-quinolinyl]-(4-morpholinyl)methanone
SMILES: CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCOCC3)C4=CC=C(C=C4)OC
Compound: N-[4-(3,4-dimethylphenyl)-2-thiazolyl]-2-furancarboxamide
SMILES: CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CO3)C
Compound: 2-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1,3-benzothiazole
SMILES: CCN1C(=NN=C1SCC2=NC3=CC=CC=C3S2)C4=CC=CC=C4
Compound: N-[1-(4-methyl-6-oxo-1-pyrimidinyl)-2-oxo-2-phenylethyl]benzamide
SMILES: CC1=CC(=O)N(C=N1)C(C(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3
Compound: [1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-(2-phenylethyl)-4-piperidinyl]methanol
SMILES: C1CN(CCC1(CCC2=CC=CC=C2)CO)CC3=CC4=NSN=C4C=C3
Compound: 3-(1,3-benzodioxol-5-yl)-N-[2-[(4-chlorophenyl)methylthio]ethyl]-2-propenamide
SMILES: C1OC2=C(O1)C=C(C=C2)C=CC(=O)NCCSCC3=CC=C(C=C3)Cl
Compound: 4-chloroacetanilide
SMILES: CC(=O)Nc1ccc(Cl)cc1
Compound: dCMP-dTMP
SMILES: C12C(C3(C1N(C(NC3=O)=O)[C@@H]4O[C@@H]([C@H](C4)O)COP(=O)(O)O)C)C(=NC(N2[C@@H]5O[C@@H]([C@H](C5)O)COP(=O)(O)O)=O)N
Compound: 4-[4-[(5-chloro-2-hydroxyphenyl)-oxomethyl]-1-pyrazolyl]-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide
SMILES: COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3C=C(C=N3)C(=O)C4=C(C=CC(=C4)Cl)O)[N+](=O)[O-]
Compound: 1-[5-(4-chloro-3-nitrophenyl)-2-furanyl]-N-[3-(2-furanyl)-2-imidazo[1,2-a]pyridinyl]methanimine
SMILES: C1=CC2=NC(=C(N2C=C1)C3=CC=CO3)N=CC4=CC=C(O4)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]
Compound: 5-(4-methoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILES: COC1=CC=C(C=C1)C2=NC3=NC(=NN3C(=C2)C(F)(F)F)C(=O)O
Compound: N-[2-(2-furanylmethylthio)ethyl]-4-methoxybenzenesulfonamide
SMILES: COC1=CC=C(C=C1)S(=O)(=O)NCCSCC2=CC=CO2
Compound: 5-ethyl-1-(phenylmethyl)-1,3,5-triazinane-2-thione
SMILES: CCN1CNC(=S)N(C1)CC2=CC=CC=C2
Compound: 3-amino-5-[3-(methylamino)propyl]-1H-pyrazole-4-carbonitrile
SMILES: CNCCCC1=C(C(=NN1)N)C#N
Compound: 1-[4-[2-(2,5-dimethyl-1-pyrrolyl)ethyl]-1-piperazinyl]-2-[[3-(4-morpholinyl)-2-quinoxalinyl]thio]ethanone
SMILES: CC1=CC=C(N1CCN2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N=C3N5CCOCC5)C
Compound: 6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILES: CC1=CC(=C(C(=O)N1)C#N)C(F)(F)F
Compound: 8-(4-methoxyphenyl)-7-methyl-3-(phenylmethyl)purine-2,6-dione
SMILES: CN1C2=C(N=C1C3=CC=C(C=C3)OC)N(C(=O)NC2=O)CC4=CC=CC=C4
Compound: 4-[1-(4-fluorophenyl)ethyl]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
SMILES: CC(C1=CC=C(C=C1)F)N2C(=NNC2=S)C3=CC=CS3
Compound: 5-nitro-2-thiophenecarboxylic acid [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] ester
SMILES: CC(C(=O)NC1=C(C=C(C=N1)Cl)Cl)OC(=O)C2=CC=C(S2)[N+](=O)[O-]
Compound: 2,4-dichloro-6-[1-(4-morpholinyl)-3-phenylprop-2-ynyl]phenol
SMILES: C1COCCN1C(C#CC2=CC=CC=C2)C3=CC(=CC(=C3O)Cl)Cl
Compound: 4-[5-(2-methyl-3-phenylprop-2-enylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoic acid
SMILES: CC(=CC1=CC=CC=C1)C=C2C(=O)N(C(=S)S2)C3=CC=C(C=C3)C(=O)O
Compound: 4,6-dimethyl-3-[1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]-1H-pyridin-2-one
SMILES: CC1=CC(=C(C(=O)N1)C(=O)C=CC2=CC=C(C=C2)C(C)C)C
Compound: nipecotic acid
SMILES: OC(=O)C1CCCNC1
Compound: N-tricosanoyl-14-methylhexadecasphingosine-1-phosphocholine
SMILES: C(CCCCCC(CC)C)CC\C=C\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)(=O)[O-]
Compound: 1-(1-tert-butyl-5-tetrazolyl)-N-(phenylmethyl)-1-(3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine
SMILES: CC(C)(C)N1C(=NN=N1)C(C2=CN=CC=C2)N(CC3=CC=CC=C3)CC4=CC=CS4
Compound: LSM-28383
SMILES: COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)CN3C(=O)C4C5CC(C4C3=O)C=C5)OC)OC
Compound: N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)-2-oxolanecarboxamide
SMILES: CC1=CC=C(C=C1)N(CC2=CC3=C(C=CC(=C3)OC)NC2=O)C(=O)C4CCCO4
Compound: 2,6-diamino-4-(1-phenylethyl)-4H-thiopyran-3,5-dicarbonitrile
SMILES: CC(C1C(=C(SC(=C1C#N)N)N)C#N)C2=CC=CC=C2
Compound: 5-tert-butyl-N-[[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-1H-pyrazole-3-carboxamide
SMILES: CC(C)(C)C1=CC(=NN1)C(=O)NN=CC2=CC(=C(C=C2)OC)COC3=C(C=C(C=C3)F)F
Compound: 1-(3,4-dichlorophenyl)-3-(dimethylaminomethylidene)thiourea
SMILES: CN(C)C=NC(=S)NC1=CC(=C(C=C1)Cl)Cl
Compound: 1-(3,4-dichlorophenyl)-3-[1-(4-morpholinyl)-1-phenylpropan-2-yl]urea
SMILES: CC(C(C1=CC=CC=C1)N2CCOCC2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl
Compound: LSM-28389
SMILES: CC1=NN(C2=C1C(N3C4=CC=CC=C4NC(=O)C3=N2)C5=CC(=CC=C5)OC)C6=CC=C(C=C6)[N+](=O)[O-]
Compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-quinolinecarboxamide
SMILES: CC1=NN=C(S1)NC(=O)C2=NC3=CC=CC=C3C=C2
Compound: 1-(4-bromophenyl)-3-(3-methylbutyl)thiourea
SMILES: CC(C)CCNC(=S)NC1=CC=C(C=C1)Br
Compound: 5-amino-3-ethyl-1-phenyl-4-pyrazolecarbonitrile
SMILES: CCC1=NN(C(=C1C#N)N)C2=CC=CC=C2
Compound: 4-morpholinecarboxylic acid [4-[6-amino-5-cyano-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] ester
SMILES: CC1=CC=C(C=C1)C2=C3C(C(=C(OC3=NN2)N)C#N)C4=CC=C(C=C4)OC(=O)N5CCOCC5
Compound: 2-(3-chlorophenyl)-9-[4-(2-pyrazinyl)-1-piperazinyl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
SMILES: C1CCC2=NC3=CC(=NN3C(=C2C1)N4CCN(CC4)C5=NC=CN=C5)C6=CC(=CC=C6)Cl
Compound: N2-(2-methoxyphenyl)-6-(3-methyl-2-benzofuranyl)-1,3,5-triazine-2,4-diamine
SMILES: CC1=C(OC2=CC=CC=C12)C3=NC(=NC(=N3)NC4=CC=CC=C4OC)N
Compound: 1-(4-ethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one
SMILES: CCOC1=CC=C(C=C1)C(=O)C=CC2=CC(=C(C(=C2)OC)OC)OC
Compound: N-(2-furanylmethyl)-2-[(4-methoxyphenyl)sulfonylamino]benzamide
SMILES: COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CO3
Compound: N-[3-(N-ethylanilino)propyl]-2,4-dimethyl-6-oxo-3-pyrancarboxamide
SMILES: CCN(CCCNC(=O)C1=C(OC(=O)C=C1C)C)C2=CC=CC=C2
Compound: N-[(1-ethyl-2-oxo-6-benzo[cd]indolyl)sulfonyl]-N-(4-methoxyphenyl)-3-pyridinecarboxamide
SMILES: CCN1C2=C3C(=C(C=C2)S(=O)(=O)N(C4=CC=C(C=C4)OC)C(=O)C5=CN=CC=C5)C=CC=C3C1=O
Compound: 5-[(4-methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
SMILES: CC1=CC=C(C=C1)OCC2=NC(=NO2)C3=CC=CC=C3
Compound: 4-[[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid ethyl ester
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3
Compound: 3-bromo-5-[[4-[hydroxy(diphenyl)methyl]-1-piperidinyl]-oxomethyl]-2-pyranone
SMILES: C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(=O)C4=COC(=O)C(=C4)Br
Compound: 1-azepanyl-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-isoxazolyl]methanone
SMILES: CC1=CC(=CC(=C1Cl)C)OCC2=CC(=NO2)C(=O)N3CCCCCC3
Compound: 6-[5-chloro-3-methyl-1-(4-methylphenyl)-4-pyrazolyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(N(C(=O)NC1C2=C(N(N=C2C)C3=CC=C(C=C3)C)Cl)C)C
Compound: 2-(3-chloro-4-methylphenyl)isoindole-1,3-dione
SMILES: CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O)Cl
Compound: 4,6,8-trimethyl-1H-quinoline-2-thione
SMILES: CC1=CC(=C2C(=C1)C(=CC(=S)N2)C)C
Compound: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-4-nitro-3-isoxazolecarboxamide
SMILES: CC1=C(C(=NO1)C(=O)NC2=C(C3=C(S2)CCCC3)C#N)[N+](=O)[O-]
Compound: 2-(4,6-dimethyl-2-pyrimidinyl)-1-(2-phenylphenyl)guanidine
SMILES: CC1=CC(=NC(=N1)N=C(N)NC2=CC=CC=C2C3=CC=CC=C3)C
Compound: 2-(6-amino-5-cyano-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoic acid
SMILES: C1=CC=C(C(=C1)C2C(=C(OC3=NNC(=C23)C4=CC=CS4)N)C#N)C(=O)O
Compound: [4-(2-pyrimidinyl)-1-piperazinyl]-[1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-isoquinolinyl]methanone
SMILES: C1CN(CCN1C2=NC=C(C3=CC=CC=C32)C(=O)N4CCN(CC4)C5=NC=CC=N5)C6=NC=CC=N6
Compound: fosinoprilat
SMILES: [H][C@]1(C[C@H](N(C1)C(=O)CP(O)(=O)CCCCc1ccccc1)C(O)=O)C1CCCCC1
Compound: N-hexadecanoyl-15-methylhexadecasphingosine-1-phosphocholine
SMILES: C(CCCCCCC(C)C)CC\C=C\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)(=O)[O-]
Compound: N-(1,3-dioxo-5-isoindolyl)-3-methoxybenzamide
SMILES: COC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)C(=O)NC3=O
Compound: 2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]-N-(4-methylphenyl)acetamide
SMILES: CC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C)NC4=CC=CC=C43
Compound: LSM-28414
SMILES: C1=CC=C(C=C1)CN=CC2C(=O)C(=CC3=CC=C(C=C3)O)NC2=O
Compound: N-(3-pyridinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide
SMILES: C1CCC2=C(CC1)ON=C2C(=O)NC3=CN=CC=C3
Compound: 2-[[5-(4-fluorophenyl)-1-methyl-2-imidazolyl]thio]-N-[2-(4-morpholinyl)phenyl]acetamide
SMILES: CN1C(=CN=C1SCC(=O)NC2=CC=CC=C2N3CCOCC3)C4=CC=C(C=C4)F
Compound: N-[5-[2-(2-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]heptanamide
SMILES: CCCCCCC(=O)NC1=NC(=C(S1)C2=CSC(=N2)NC3=CC=CC=C3OC)C
Compound: 2-[[5-(1-benzotriazolylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(2-fluorophenyl)ethanone
SMILES: CN1C(=NN=C1SCC(=O)C2=CC=CC=C2F)CN3C4=CC=CC=C4N=N3
Compound: 2-[[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester
SMILES: CN1CCN(CC1)C(=S)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC
Compound: 2-(4-anilinophenoxy)acetic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
SMILES: C1=CC=C(C=C1)NC2=CC=C(C=C2)OCC(=O)OCC(=O)NCC3=CC=CO3
Compound: 4-[1-(4-hydroxyphenyl)ethenyl]phenol
SMILES: C=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
Compound: 3-(2,5-dioxo-1-pyrrolidinyl)-N-(5-methyl-3-isoxazolyl)benzamide
SMILES: CC1=CC(=NO1)NC(=O)C2=CC(=CC=C2)N3C(=O)CCC3=O
Compound: N-[(4-fluoroanilino)-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide
SMILES: C1COC2=C(O1)C=CC(=C2)C(=O)NC(=S)NC3=CC=C(C=C3)F
Compound: 4-amino-N-(4-ethoxyphenyl)benzenesulfonamide
SMILES: CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N
Compound: N-(1,2,4-triazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
SMILES: C1CCC2=C(CC1)SC(=C2)C(=O)NN3C=NN=C3
Compound: LSM-28426
SMILES: C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)NC(=O)NC5=NN=CS5
Compound: N'-[(4-chlorophenyl)-oxomethyl]-2-pyrazinecarbohydrazide
SMILES: C1=CC(=CC=C1C(=O)NNC(=O)C2=NC=CN=C2)Cl
Compound: N-(2-furanylmethyl)-1-[2-(2-hydroxyethoxy)ethyl]-2-imino-10-methyl-5-oxo-3-dipyrido[3,4-c:1',2'-f]pyrimidinecarboxamide
SMILES: CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCOCCO)C(=O)NCC4=CC=CO4
Compound: 2-methyl-1-cyclopropanecarboxylic acid [5-[2-(3,4-dimethoxyphenyl)-4-quinolinyl]-1,3,4-oxadiazol-2-yl]methyl ester
SMILES: CC1CC1C(=O)OCC2=NN=C(O2)C3=CC(=NC4=CC=CC=C43)C5=CC(=C(C=C5)OC)OC
Compound: 1,3-dimethyl-8-[methyl-(phenylmethyl)amino]-7-[2-(2-pyrimidinylthio)ethyl]purine-2,6-dione
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)CC3=CC=CC=C3)CCSC4=NC=CC=N4
Compound: 4-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide
SMILES: CC1=CC=C(C=C1)C(=O)NC2=CC=C(N(C2=O)C)C(F)(F)F
Compound: 3-amino-2-[(4-methoxyanilino)-oxomethyl]-4-(4-methoxyphenyl)-6-methyl-5-thieno[2,3-b]pyridinecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(N=C2C(=C1C3=CC=C(C=C3)OC)C(=C(S2)C(=O)NC4=CC=C(C=C4)OC)N)C
Compound: 3-(2-methyl-3-furanyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
SMILES: CC1=CC=CC=C1N2C(=NNC2=S)C3=C(OC=C3)C
Compound: N'-(4,6-difluoro-1,3-benzothiazol-2-yl)propanehydrazide
SMILES: CCC(=O)NNC1=NC2=C(C=C(C=C2S1)F)F
Compound: 5-[1-[(2-chlorophenyl)methyl]-2,5-dimethyl-3-pyrrolyl]-N-(1-methoxypropan-2-yl)-6H-1,3,4-thiadiazin-2-amine
SMILES: CC1=CC(=C(N1CC2=CC=CC=C2Cl)C)C3=NN=C(SC3)NC(C)COC
Compound: 1-[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]-3-[3-(trifluoromethyl)phenyl]thiourea
SMILES: CCOC1=CC=C(C=C1)NC(=S)NNC(=S)NC2=CC=CC(=C2)C(F)(F)F
Compound: 4-[1-(4-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-2,6-dimethylmorpholine
SMILES: CC1CN(CC(O1)C)C2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl
Compound: N-(4-ethylphenyl)-2-(2-furanylmethyl)-1,3-dioxo-5-isoindolecarboxamide
SMILES: CCC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CO4
Compound: 7-chloro-5-(4-fluorophenyl)-4-(1-oxopropyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILES: CCC(=O)N1CC(=O)NC2=C(C1C3=CC=C(C=C3)F)C=C(C=C2)Cl
Compound: 1-cyclohexyl-3-(2-ethylphenyl)urea
SMILES: CCC1=CC=CC=C1NC(=O)NC2CCCCC2
Compound: N-[4-[[2-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]phenyl]acetamide
SMILES: CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)CSC3=CC=C(C=C3)NC(=O)C
Compound: LSM-28442
SMILES: CC(=O)C1C(N(C(=O)C1=O)CCOC)C2=CC=C(C=C2)F
Compound: 2-(thiophen-2-ylsulfonylamino)benzoic acid [2-(cyclohexylamino)-2-oxoethyl] ester
SMILES: C1CCC(CC1)NC(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CS3
Compound: 2-(methanesulfonamido)-N-[2-(phenylmethylthio)ethyl]benzamide
SMILES: CS(=O)(=O)NC1=CC=CC=C1C(=O)NCCSCC2=CC=CC=C2
Compound: 2-cyano-2-cyclohexylideneacetamide
SMILES: C1CCC(=C(C#N)C(=O)N)CC1
Compound: 2-chloro-3-pyridinecarboxylic acid [2-(4-fluorophenyl)-2-oxoethyl] ester
SMILES: C1=CC(=C(N=C1)Cl)C(=O)OCC(=O)C2=CC=C(C=C2)F
Compound: [4,5-bis[(4-methoxyphenyl)imino]-3-phenyl-2-sulfanylidene-1-imidazolidinyl]-(4-chlorophenyl)methanone
SMILES: COC1=CC=C(C=C1)N=C2C(=NC3=CC=C(C=C3)OC)N(C(=S)N2C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)Cl
Compound: 2-[[2-(2-amino-4-oxo-5-thiazolyl)-1-oxoethyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester
SMILES: CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CC3C(=O)N=C(S3)N
Compound: N-(5-methyl-3-isoxazolyl)-3-(4-methylphenyl)-2-propenamide
SMILES: CC1=CC=C(C=C1)C=CC(=O)NC2=NOC(=C2)C
Compound: 4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-(3-methoxypropyl)benzamide
SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NCCCOC
Compound: [4-(3-methoxyphenyl)-1-piperazinyl]-[2-(1-piperidinyl)-1,3-benzothiazol-6-yl]methanone
SMILES: COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=C(S4)N5CCCCC5
Compound: 3-[[2-[[6-fluoro-2-(4-fluorophenyl)-4-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid
SMILES: C1=CC(=CC(=C1)NC(=O)CSC2=NC(=NC3=C2C=C(C=C3)F)C4=CC=C(C=C4)F)C(=O)O
Compound: 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio]-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
SMILES: C1CC2=C(C1)N=C(C(=C2)C#N)SCC(=O)NC3=C(C4=C(S3)CCC4)C#N
Compound: 1-(1-azepanyl)-2-(4-bromophenyl)ethanone
SMILES: C1CCCN(CC1)C(=O)CC2=CC=C(C=C2)Br
Compound: 2-methyl-3,7-diphenylpyrazolo[1,5-a]pyrimidine
SMILES: CC1=NN2C(=CC=NC2=C1C3=CC=CC=C3)C4=CC=CC=C4
Compound: 4-(3,4-dimethoxyphenyl)-2-thiophen-2-ylthiazole
SMILES: COC1=C(C=C(C=C1)C2=CSC(=N2)C3=CC=CS3)OC
Compound: 4-acetamido-N-(2-methoxyethyl)benzamide
SMILES: CC(=O)NC1=CC=C(C=C1)C(=O)NCCOC
Compound: N-[2-methyl-5-(2-thiazolo[5,4-b]pyridinyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide
SMILES: CC1=C(C=C(C=C1)C2=NC3=C(S2)N=CC=C3)NS(=O)(=O)C4=CC5=C(C=C4)OCCO5
Compound: 2-(5-fluoro-2-oxo-3-indolyl)-2-(4-methyl-3H-thiazol-2-ylidene)acetonitrile
SMILES: CC1=CSC(=C(C#N)C2=C3C=C(C=CC3=NC2=O)F)N1
Compound: N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-oxolanecarboxamide
SMILES: C1CC(OC1)C(=O)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)Cl
Compound: 9-(3-bromo-4-hydroxyphenyl)-10-phenyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SMILES: C1CC2=C(C(C3=C(N2C4=CC=CC=C4)CCCC3=O)C5=CC(=C(C=C5)O)Br)C(=O)C1
Compound: 3-bromo-4-methyl-N-[(2-oxolanylmethylamino)-sulfanylidenemethyl]benzamide
SMILES: CC1=C(C=C(C=C1)C(=O)NC(=S)NCC2CCCO2)Br
Compound: 7-methyl-3-(phenylhydrazo)-1,5-benzodiazepin-2-one
SMILES: CC1=CC2=NC=C(C(=O)N=C2C=C1)NNC3=CC=CC=C3
Compound: 2-[(3-methoxyphenyl)-oxomethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester
SMILES: CCOC(=O)C1=C(N(C(=NC(=O)C2=CC(=CC=C2)OC)S1)C)C
Compound: N-(4-methylphenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b]thiazol-2-yl)acetamide
SMILES: CC1=CC=C(C=C1)NC(=O)CC2C(=O)N3CCN=C3S2
Compound: 3-(benzenesulfonyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILES: C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=NN=C(S2)C(F)(F)F
Compound: 10-(4-methoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SMILES: COC1=CC=C(C=C1)N2C3=C(CC4=C2CCCC4=O)C(=O)CCC3
Compound: 2-(2-chlorophenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide
SMILES: CC1=CC(=CC=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC=CC=C4Cl
Compound: 5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-3-tert-butyl-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one
SMILES: CC(C)(C)C1=C2C=C(C(=O)N=C2N(N1)C3=CC=CC=C3)CNCC4=CC5=C(C=C4)OCO5
Compound: 3-chloro-4,5-dimethoxy-N-(1-naphthalenylmethyl)benzamide
SMILES: COC1=C(C(=CC(=C1)C(=O)NCC2=CC=CC3=CC=CC=C32)Cl)OC
Compound: 10-[3-(dibutylamino)-2-hydroxypropyl]-9-acridinone
SMILES: CCCCN(CCCC)CC(CN1C2=CC=CC=C2C(=O)C3=CC=CC=C31)O
Compound: [4-[(2-chlorophenyl)methyl]-1-piperazinyl]-(6,8-dimethyl-2-pyridin-4-yl-4-quinolinyl)methanone
SMILES: CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5Cl)C
Compound: 5-amino-2-phenyl-3H-triazolo[4,5-d]pyrimidin-7-one
SMILES: C1=CC=C(C=C1)N2NC3=NC(=NC(=O)C3=N2)N
Compound: 4-butyl-3-(3-methyl-2-thiophenyl)-1H-1,2,4-triazole-5-thione
SMILES: CCCCN1C(=NNC1=S)C2=C(C=CS2)C
Compound: 2-hydroxy-N-[1-(5-nitro-2-tetrazolyl)propan-2-ylideneamino]benzamide
SMILES: CC(=NNC(=O)C1=CC=CC=C1O)CN2N=C(N=N2)[N+](=O)[O-]
Compound: N-[3,5-dimethyl-1-(1-oxopropyl)-4-pyrazolyl]propanamide
SMILES: CCC(=O)NC1=C(N(N=C1C)C(=O)CC)C
Compound: N-(3-chlorophenyl)carbamic acid 2-pyridinylmethyl ester
SMILES: C1=CC=NC(=C1)COC(=O)NC2=CC(=CC=C2)Cl
Compound: 2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-pyridinylmethyl)acetamide
SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)N(C)CC(=O)NCC2=CC=CC=N2)C
Compound: N-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]-4-(1-pyrrolidinylsulfonyl)benzamide
SMILES: C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NN=C(O3)C4=CC=CO4
Compound: 8-(1,3-benzothiazol-2-ylthio)-3-methyl-7-pentylpurine-2,6-dione
SMILES: CCCCCN1C2=C(N=C1SC3=NC4=CC=CC=C4S3)N(C(=O)NC2=O)C
Compound: 3-[[cyclopentyl-[[1-(phenylmethyl)-5-tetrazolyl]methyl]amino]methyl]-8-methyl-1H-quinolin-2-one
SMILES: CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC3=NN=NN3CC4=CC=CC=C4)C5CCCC5
Compound: LSM-28482
SMILES: CC1=CC(=NO1)N2C(C(C(=O)C2=O)C(=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4OC
Compound: 2-[[(3-amino-4-carbamoyl-5-cyclohexylimino-2H-thiophen-2-yl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester
SMILES: COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3C(=C(C(=NC4CCCCC4)S3)C(=O)N)N
Compound: 2-cyano-3-(2,5-dimethyl-1H-pyrrol-3-yl)-N-(2-fluorophenyl)-2-propenamide
SMILES: CC1=CC(=C(N1)C)C=C(C#N)C(=O)NC2=CC=CC=C2F
Compound: 4-[3-(1,3-dioxo-2-isoindolyl)propylamino]-2-methylisoindole-1,3-dione
SMILES: CN1C(=O)C2=C(C1=O)C(=CC=C2)NCCCN3C(=O)C4=CC=CC=C4C3=O
Compound: LSM-28486
SMILES: CC(C)(C)C1=CC2=NC3=C(CN(C3=O)CC4=CC=CC=C4)C(=O)N2N1
Compound: N-cyclohexyl-1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolecarboxamide
SMILES: CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)NC3CCCCC3
Compound: 5-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-pyridinecarboxamide
SMILES: C1=CC=C(C(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC(=CN=C4)Br)Cl
Compound: LSM-28489
SMILES: CN1CC2=CC3=CC=CC=C3OC24C(=CC5=CC=CC=C5O4)C1
Compound: 1-(2,4-dichlorophenyl)-3-(1-methyl-3-pyrazolyl)urea
SMILES: CN1C=CC(=N1)NC(=O)NC2=C(C=C(C=C2)Cl)Cl
Compound: 6-amino-4-(3-furanyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILES: CCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=COC=C3
Compound: LSM-28492
SMILES: C=CCN1C(=O)C2=C(N3C1=NN=C3NC4=CC=CC=C4)SC5=C2CCCC5