FULL DB

Total number of items: 1633432
Total number of pages: 1634 ( 1000 items on each page )

STK576106
Synonyms: N~2~-{[trans-4-({[N-(tert-butoxycarbonyl)-D-valyl]amino}methyl)cyclohexyl]carbonyl}-D-asparagine
Smiles: NC(=O)C[C@H](C(=O)O)NC(=O)[C@@H]1CC[C@H](CC1)CNC(=O)[C@@H](C(C)C)NC(=O)OC(C)(C)C

STK576107
Synonyms: 2-{[4-amino-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(benzyloxy)phenyl]acetamide
Smiles: O=C(Nc1ccc(cc1)OCc1ccccc1)CSc1nnc(n1N)c1n[nH]c(c1)c1ccccc1

STK576108
Synonyms: (5E)-3-benzyl-6-hydroxy-5-(1-{[3-(morpholin-4-yl)propyl]amino}propylidene)pyrimidine-2,4(3H,5H)-dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)Cc1ccccc1)O)/NCCCN1CCOCC1

STK576109
Synonyms: N-[(2Z)-6-methoxy-1,3-benzothiazol-2(3H)-ylidene]-2-phenylquinoline-4-carboxamide
Smiles: COc1ccc2c(c1)s/c(=N\C(=O)c1cc(nc3c1cccc3)c1ccccc1)/[nH]2

STK576110
Synonyms: 3-(1H-benzimidazol-1-yl)-N-(1-phenylethyl)propanamide
Smiles: O=C(NC(c1ccccc1)C)CCn1cnc2c1cccc2

STK576112
Synonyms: (3a'S,6a'R)-5-bromo-5'-(butan-2-yl)-3'-methyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2C)C(=O)Nc2c1cc(Br)cc2)C

STK576114
Synonyms: 10-methyl-3-phenyl-2-(thiophen-2-yl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: O=c1n(c2ccccc2)c(nc2c1c(=O)c1ccccc1n2C)c1cccs1

STK576115
Synonyms: 2-{[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CSc1nnc(n1Cc1ccco1)c1cccc(c1)C

STK576118
Synonyms: ethyl2-amino-1-(2-{[(4-methylphenyl)carbonyl]amino}ethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Smiles: CCOC(=O)c1c(N)n(c2c1nc1ccccc1n2)CCNC(=O)c1ccc(cc1)C

STK576119
Synonyms: N-(3,4-dimethoxybenzyl)-6-methoxy-N-(prop-2-en-1-yl)-1H-indole-2-carboxamide
Smiles: C=CCN(C(=O)c1cc2c([nH]1)cc(cc2)OC)Cc1ccc(c(c1)OC)OC

STK576121
Synonyms: 4-{[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl}-2-oxo-7-phenyl-2H-chromen-6-olate
Smiles: Clc1cccc(c1)N1CC[NH+](CC1)Cc1cc(=O)oc2c1cc([O-])c(c2)c1ccccc1

STK576122
Synonyms: 2-(9-methoxy-6H-indolo[2,3-b]quinoxalin-6-yl)ethylphenoxyacetate
Smiles: COc1ccc2c(c1)c1nc3ccccc3nc1n2CCOC(=O)COc1ccccc1

STK576123
Synonyms: N-[1-(1H-benzimidazol-2-yl)-3-methyl-1H-pyrazol-5-yl]-3-bromobenzamide
Smiles: Brc1cccc(c1)C(=O)Nc1cc(nn1c1nc2c([nH]1)cccc2)C

STK576126
Synonyms: 2-({4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-sulfamoylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)N)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)C

STK576129
Synonyms: 8-[4-(4-fluorobenzyl)piperazin-1-yl]-6-hydroxy-3-methyl-7-(2-methylpropyl)-3,7-dihydro-2H-purin-2-one
Smiles: Fc1ccc(cc1)CN1CCN(CC1)c1nc2c(n1CC(C)C)c(O)nc(=O)n2C

STK576130
Synonyms: N,N-diethyl-2-(6-oxo-3,4-dihydro-2H-[1,3]thiazino[3',2':1,2]pyrimido[5,4-b]indol-7(6H)-yl)acetamide
Smiles: CCN(C(=O)Cn1c2ccccc2c2c1c(=O)n1CCCSc1n2)CC

STK576131
Synonyms: 5-(3-ethoxyphenyl)-4-{[(E)-(2-fluorophenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccccc1F

STK576132
Synonyms: (5Z)-4-hydroxy-5-({3-[2-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-1,3-thiazole-2(5H)-thione
Smiles: CC(COc1ccc(c(c1)C)c1nn(cc1/C=C/1\SC(=S)N=C1O)c1ccccc1)C

STK576133
Synonyms: N-(3-chloro-4-methoxyphenyl)-2-{[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)Cl)OC)nnc1COc1ccccc1

STK576135
Synonyms: (2E)-N-[(2Z)-5-(ethylsulfonyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3-(4-methylphenyl)prop-2-enamide
Smiles: CCS(=O)(=O)c1n[nH]/c(=N/C(=O)/C=C/c2ccc(cc2)C)/s1

STK576136
Synonyms: (1Z)-6,7-dimethoxy-1-{[(4-methylphenyl)sulfonyl]methylidene}-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc2c(cc1OC)CCN/C/2=C\S(=O)(=O)c1ccc(cc1)C

STK576137
Synonyms: N'-[3-(4-chlorophenyl)-4-phenylbutyl]-N,N-dimethylethane-1,2-diamine
Smiles: CN(CCNCCC(c1ccc(cc1)Cl)Cc1ccccc1)C

STK576138
Synonyms: methyl4-{(E)-[(3-cyclohexyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]methyl}benzoate
Smiles: COC(=O)c1ccc(cc1)/C=N/n1c(n[nH]c1=S)C1CCCCC1

STK576139
Synonyms: 5-(4-chlorophenyl)-4-{[(E)-(2-hydroxynaphthalen-1-yl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1c(O)ccc2c1cccc2

STK576140
Synonyms: (5Z)-5-{2-[(2-chlorobenzyl)oxy]-5-nitrobenzylidene}-4-hydroxy-1,3-thiazol-2(5H)-one
Smiles: O=C1N=C(/C(=C/c2cc(ccc2OCc2ccccc2Cl)[N+](=O)[O-])/S1)O

STK576141
Synonyms: N-(3,5-dimethoxyphenyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
Smiles: COc1cc(cc(c1)OC)NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C

STK576142
Synonyms: 3-(4-methoxybenzyl)-2-(2-methylphenyl)-4H-chromeno[2,3-d]pyrimidine-4,5(3H)-dione
Smiles: COc1ccc(cc1)Cn1c(nc2c(c1=O)c(=O)c1c(o2)cccc1)c1ccccc1C

STK576143
Synonyms: 9-(4-ethylphenyl)-3-(3-hydroxypropyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: OCCCn1c(=O)n(C)c2c(c1=O)n1CC(C)CN(c1n2)c1ccc(cc1)CC

STK576145
Synonyms: 5-(2-chlorophenyl)-4-{[(E)-(3,4-dichlorophenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1cc(ccc1Cl)/C=N/n1c(=S)[nH]nc1c1ccccc1Cl

STK576149
Synonyms: 3-(2-{2-[(4-chloronaphthalen-1-yl)oxy]ethoxy}ethyl)-2-(4-chlorophenyl)quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOCCOc1ccc(c2c1cccc2)Cl

STK576151
Synonyms: 3-[(4-chlorophenoxy)methyl]-5-[(2,6-dichlorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Smiles: C=CCn1c(nnc1SCc1c(Cl)cccc1Cl)COc1ccc(cc1)Cl

STK576153
Synonyms: 2-{[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dichlorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1Cl)Cl)CSc1nnc(n1N)c1n[nH]c(c1)C

STK576155
Synonyms: 4-chloro-N-(furan-2-ylmethyl)-2-(methylsulfanyl)pyrimidine-5-carboxamide
Smiles: CSc1ncc(c(n1)Cl)C(=O)NCc1ccco1

STK576156
Synonyms: 3-[(2S)-3-methyl-1-oxo-1-(4-phenylpiperazin-1-yl)butan-2-yl]quinazolin-4(3H)-one
Smiles: O=c1n(cnc2c1cccc2)[C@H](C(=O)N1CCN(CC1)c1ccccc1)C(C)C

STK576157
Synonyms: N-[(2E)-3-(5-chloro-2-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-methoxyacetamide
Smiles: COCC(=O)/N=C\1/SC2C(N1c1cc(Cl)ccc1OC)CS(=O)(=O)C2

STK576159
Synonyms: (4E)-1-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[4-(propan-2-yl)phenyl]pyrrolidine-2,3-dione
Smiles: Clc1ccc(c(c1)Cl)CSc1nnc(s1)N1C(c2ccc(cc2)C(C)C)/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C1=O

STK576160
Synonyms: 2-{[5-(3-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamide
Smiles: O=C(Nc1ccccc1C(C)C)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)Cl

STK576161
Synonyms: (4E)-5-(3-chlorophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Smiles: Clc1cccc(c1)C1N(c2nnc(s2)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK576164
Synonyms: (4E)-5-(4-bromophenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
Smiles: CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Br)c1nccs1)/O

STK576165
Synonyms: (2S)-2-amino-N'-[(E)-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methylidene]propanehydrazide(non-preferredname)
Smiles: O=C([C@@H](N)C)N/N=C/c1c(C)[nH]c(=O)[nH]c1=O

STK576166
Synonyms: (2'S,3S,3'S,10b'R)-2'-[(2-ethoxyphenyl)carbonyl]-3'-[(4-methoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: CCOc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)OC)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK576167
Synonyms: 3-cyclohexyl-10-methyl-2-(2-methylphenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
Smiles: Cn1c2nc(c3ccccc3C)n(c(=O)c2c(=O)c2c1cccc2)C1CCCCC1

STK576168
Synonyms: (5Z)-3-(4-fluorophenyl)-6-hydroxy-5-{[1-(3-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}pyrimidine-2,4(3H,5H)-dione
Smiles: Fc1ccc(cc1)N1C(=O)N=C(/C(=C/c2cc(n(c2C)c2cccc(c2)O)C)/C1=O)O

STK576169
Synonyms: 2-{3-[(E)-(2-cyclopropyl-5-iminio-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}phenolate
Smiles: O=C1N=c2sc(nn2C(=[NH2+])/C/1=C\c1cc(n(c1C)c1ccccc1[O-])C)C1CC1

STK576170
Synonyms: N-[(2E)-3-(3,4-dichlorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-methoxyacetamide
Smiles: COCC(=O)/N=C\1/SC2C(N1c1ccc(c(c1)Cl)Cl)CS(=O)(=O)C2

STK576171
Synonyms: N-(4-methylphenyl)-2-(7-methyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)acetamide
Smiles: O=C(Nc1ccc(cc1)C)CN1CCc2c(C1C)cc1c(c2)OCCCO1

STK576172
Synonyms: N-cyclohexyl-4-methoxy-N-[(6-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzenesulfonamide
Smiles: COc1ccc(cc1)S(=O)(=O)N(C1CCCCC1)Cc1cc2cc(OC)ccc2[nH]c1=O

STK576174
Synonyms: 7-[(4-methoxybenzyl)sulfanyl]-2,12,12-trimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine
Smiles: COc1ccc(cc1)CSc1nnc2n1c1sc3c(c1c1n2nc(n1)C)CC(OC3)(C)C

STK576175
Synonyms: 2-[4-(5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-yl)piperazin-1-yl]ethanol
Smiles: CCCc1nc2oc3c(c2c2c1CCCC2)ncnc3N1CCN(CC1)CCO

STK576176
Synonyms: 2-{[5-(3-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
Smiles: O=C(Nc1cc(C)cc(c1)C)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)Cl

STK576177
Synonyms: 2-[(7,7-dimethyl-2-phenyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)sulfanyl]-N,N-dimethylethanamine
Smiles: CN(CCSc1nc(nc2c1COC(C2)(C)C)c1ccccc1)C

STK576180
Synonyms: N-(4-bromophenyl)-2-{[5-(3-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Br)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)Cl

STK576181
Synonyms: 2,2'-(1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diyldimethanediyl)bis(1-methyl-1H-benzimidazole)
Smiles: Cn1c(CN2CCOCCOCCN(CCOCCOCC2)Cc2nc3c(n2C)cccc3)nc2c1cccc2

STK576182
Synonyms: 3-(2-methoxyethyl)-3,4-dihydro-2H,6H-benzo[3,4]chromeno[8,7-e][1,3]oxazin-6-one
Smiles: COCCN1COc2c(C1)c1oc(=O)c3c(c1cc2)cccc3

STK576183
Synonyms: (E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-methyl-1'-[3-(morpholin-4-ium-4-yl)propyl]-2,4',5'-trioxo-1,2-dihydro-3'H-spiro[indole-3,2'-pyrrolidin]-3'-ylidene}methanolate
Smiles: O=C1C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/[O-])/C2(N1CCC[NH+]1CCOCC1)C(=O)N(c1c2cccc1)C

STK576184
Synonyms: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-(morpholin-4-ylmethyl)-4H-chromen-4-one
Smiles: COc1cc(ccc1OC)c1coc2c(c1=O)ccc(c2CN1CCOCC1)O

STK576185
Synonyms: 2-{[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl

STK576186
Synonyms: (3S,3a'R,8a'S,8b'S)-2'-(2,6-dimethylphenyl)-7-ethyl-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: CCc1cccc2c1NC(=O)[C@]12N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1c(C)cccc1C

STK576188
Synonyms: N-[(2Z)-1,3-benzothiazol-2(3H)-ylidene]-5-bromo-6-chloropyridine-3-sulfonamide
Smiles: Clc1ncc(cc1Br)S(=O)(=O)/N=c/1\sc2c([nH]1)cccc2

STK576189
Synonyms: (4E)-4-[hydroxy(phenyl)methylidene]-5-(3-methoxyphenyl)-1-(2-phenylethyl)pyrrolidine-2,3-dione
Smiles: COc1cccc(c1)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1CCc1ccccc1

STK576190
Synonyms: 5-(4-chlorophenyl)-10-(furan-2-yl)-1,3-dimethyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
Smiles: Clc1ccc(cc1)c1n2CCOC(c2c2c1c(=O)n(C)c(=O)n2C)c1ccco1

STK576191
Synonyms: ethyl4-(3,4-dihydroxyphenyl)-2-methyl-4,10-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
Smiles: CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)O)O)c1ccccc1[nH]2

STK576192
Synonyms: 6-chloro-4-phenyl-9-(pyridin-2-ylmethyl)-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-2-one
Smiles: O=c1oc2c3CN(COc3c(cc2c(c1)c1ccccc1)Cl)Cc1ccccn1

STK576193
Synonyms: 2-(1,3-benzothiazol-2-yl)-4-hydroxy-6-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
Smiles: Cc1ccnc(n1)SCc1cc(O)c2c(n1)[nH]n(c2=O)c1nc2c(s1)cccc2

STK576196
Synonyms: N-(biphenyl-2-yl)-2-{[5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1c1ccccc1)CSc1nnc(n1Cc1ccco1)c1ccccc1F

STK576200
Synonyms: N-[(2Z)-3-(3-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-phenylacetamide
Smiles: COc1cccc(c1)N1/C(=N/C(=O)Cc2ccccc2)/SC2C1CS(=O)(=O)C2

STK576201
Synonyms: 3-(furan-2-ylmethyl)-2-[(2-hydroxypropyl)amino]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: CC(CNc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCCC3)O

STK576205
Synonyms: (E)-{2-(3,4-diethoxyphenyl)-1-[2-(diethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Smiles: CCOc1cc(ccc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CC[NH+](CC)CC

STK576207
Synonyms: 1-(3-ethoxyphenyl)-2-(4-methylpyridin-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1cccc(c1)C1N(c2nccc(c2)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK576208
Synonyms: 2-[11-(2-chlorophenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]phenol
Smiles: Clc1ccccc1C1c2c(C)nn(c2Oc2c1c1nc(nn1cn2)c1ccccc1O)c1ccccc1

STK576210
Synonyms: 1-(4-ethoxy-3-methoxyphenyl)-2-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCOc1ccc(cc1OC)C1N(c2nc3c(s2)cc(cc3)C(C)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK576213
Synonyms: 7'-amino-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione
Smiles: Nc1ccc2c(c1)CC1(C3N2CCC3)C(=O)N(C)C(=O)N(C1=O)C

STK576214
Synonyms: 5-(4-methoxybenzyl)-N-[(2E)-4,6,8-trimethylquinazolin-2(1H)-ylidene]-1,4,5,6-tetrahydro-1,3,5-triazin-2-amine
Smiles: COc1ccc(cc1)CN1CNC(=NC1)/N=c\1/nc(C)c2c([nH]1)c(C)cc(c2)C

STK576216
Synonyms: 7,7-dimethyl-2-(4-methylphenyl)-4-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
Smiles: Cc1ccc(cc1)c1nc(SCCN2CCCC2)c2c(n1)CC(OC2)(C)C

STK576217
Synonyms: 2-(4-methoxyphenyl)-7,7-dimethyl-4-{[2-(piperidin-1-yl)ethyl]sulfanyl}-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
Smiles: COc1ccc(cc1)c1nc(SCCN2CCCCC2)c2c(n1)CC(OC2)(C)C

STK576219
Synonyms: N-[(2Z)-5-(benzylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-6-chloro-7-methyl-4-oxo-4H-chromene-2-carboxamide
Smiles: O=C(c1cc(=O)c2c(o1)cc(c(c2)Cl)C)/N=c\1/[nH]nc(s1)SCc1ccccc1

STK576220
Synonyms: 7-(4-chlorobenzyl)-3,4-dihydro-2H-[1,3]thiazino[3',2':1,2]pyrimido[5,4-b]indol-6(7H)-one
Smiles: Clc1ccc(cc1)Cn1c2ccccc2c2c1c(=O)n1CCCSc1n2

STK576222
Synonyms: 7'-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione
Smiles: S=C1N(C)C(=O)C(=Cc2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)C(=O)N1C

STK576223
Synonyms: N-(3-ethoxypropyl)-8-ethyl-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine
Smiles: CCOCCCNc1nc2nnnn2c2c1c1CCN(Cc1s2)CC

STK576225
Synonyms: N-[(2Z)-6-methyl-1,3-benzothiazol-2(3H)-ylidene]-2-phenylquinoline-4-carboxamide
Smiles: Cc1ccc2c(c1)s/c(=N\C(=O)c1cc(nc3c1cccc3)c1ccccc1)/[nH]2

STK576226
Synonyms: N'-[(E)-(4-ethoxyphenyl)methylidene]-5,6,7-trimethoxy-1H-indole-2-carbohydrazide
Smiles: CCOc1ccc(cc1)/C=N/NC(=O)c1cc2c([nH]1)c(OC)c(c(c2)OC)OC

STK576227
Synonyms: N-[(2Z)-3-(3-fluorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-phenylacetamide
Smiles: O=C(/N=C/1\SC2C(N1c1cccc(c1)F)CS(=O)(=O)C2)Cc1ccccc1

STK576228
Synonyms: N-[(2Z)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]-2-{[4-(morpholin-4-yl)-6-(phenylamino)-1,3,5-triazin-2-yl]sulfanyl}acetamide
Smiles: CCc1n[nH]/c(=N/C(=O)CSc2nc(Nc3ccccc3)nc(n2)N2CCOCC2)/s1

STK576229
Synonyms: methyl3-{[(2,4-dimethoxyphenyl)sulfonyl]amino}-5-methyl-1H-indole-2-carboxylate
Smiles: COc1ccc(c(c1)OC)S(=O)(=O)Nc1c([nH]c2c1cc(C)cc2)C(=O)OC

STK576230
Synonyms: N-[(3Z)-7-methyl-1-(2-methylpropyl)-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]methanesulfonamide
Smiles: CC(Cn1[nH]/c(=N\S(=O)(=O)C)/c2c1nc1cc(C)ccc1c2)C

STK576231
Synonyms: N-(3-chloro-4-methoxyphenyl)-2-({5-[(4-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(c(c2)Cl)OC)nnc1COc1ccc(cc1)C

STK576232
Synonyms: N-(furan-2-ylmethyl)-N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]methanesulfonamide
Smiles: O=c1[nH]c2c(C)cccc2cc1CN(S(=O)(=O)C)Cc1ccco1

STK576233
Synonyms: N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(2-methylphenyl)benzenesulfonamide
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)CN(S(=O)(=O)c1ccccc1)c1ccccc1C

STK576234
Synonyms: N-[3-(4-chlorophenyl)-4-oxo-4H-thiochromen-2-yl]-2-phenylacetamide
Smiles: O=C(Nc1sc2ccccc2c(=O)c1c1ccc(cc1)Cl)Cc1ccccc1

STK576236
Synonyms: N,N-dimethyl-4-[(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-ylacetyl)amino]benzamide
Smiles: O=C(Nc1ccc(cc1)C(=O)N(C)C)CN1CCc2c(C1)cc1c(c2)OCCCO1

STK576238
Synonyms: ethyl2-{[3-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)quinoxalin-2-yl]amino}-4,5-dimethylthiophene-3-carboxylate
Smiles: CCOC(=O)c1c(Nc2nc3ccccc3nc2N2CCc3c(C2)cc(c(c3)OC)OC)sc(c1C)C

STK576239
Synonyms: N-[(2E)-5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2(3H)-ylidene]-3-methylbutanamide
Smiles: CC(CC(=O)/N=c/1\[nH]nc(s1)COc1ccc(cc1)F)C

STK576240
Synonyms: 8-(4-butylphenyl)-1,3-dimethyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: CCCCc1ccc(cc1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)C

STK576241
Synonyms: 3-(3,4-dihydroxyphenyl)-5-(2-fluorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: Fc1ccccc1N1C(=O)C2C(C1=O)ON(C2c1ccc(c(c1)O)O)c1ccccc1

STK576243
Synonyms: N-(4-chlorophenyl)-2-fluoro-N-(furan-2-ylmethyl)benzamide
Smiles: Clc1ccc(cc1)N(C(=O)c1ccccc1F)Cc1ccco1

STK576244
Synonyms: N-(2,4-dichlorophenyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamide
Smiles: COc1cc2CN(CCc2cc1OC)CC(=O)Nc1ccc(cc1Cl)Cl

STK576245
Synonyms: 8-fluoro-3-(4-methoxybenzyl)-5-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc(cc1)Cn1cnc2c(c1=O)n(C)c1c2cc(cc1)F

STK576246
Synonyms: N-[(2E)-3-(1,3-benzodioxol-5-yl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]propanamide
Smiles: CCC(=O)/N=C\1/SC2C(N1c1ccc3c(c1)OCO3)CS(=O)(=O)C2

STK576247
Synonyms: ethylN-[3-(1H-indol-3-yl)propanoyl]tyrosinate
Smiles: CCOC(=O)C(Cc1ccc(cc1)O)NC(=O)CCc1c[nH]c2c1cccc2

STK576249
Synonyms: 4-{[(E)-anthracen-9-ylmethylidene]amino}-5-(3-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1c2ccccc2cc2c1cccc2

STK576251
Synonyms: 5-{[(2',6'-dihydroxy-4'-oxo-3-phenyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)amino]methylidene}-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: OC1=NC(=O)C2(C(=N1)O)Cc1cc(NC=C3C(=O)N(C)C(=O)N(C3=O)C)ccc1N1C2CN(CC1)c1ccccc1

STK576254
Synonyms: N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)tetrahydrofuran-2-carboxamide
Smiles: Cc1ccc2c(c1)cc(c(=O)[nH]2)CN(C(=O)C1CCCO1)Cc1cccnc1

STK576256
Synonyms: methylN-[(4-chlorophenyl)carbamoyl]-D-methioninate
Smiles: CSCC[C@H](C(=O)OC)NC(=O)Nc1ccc(cc1)Cl

STK576257
Synonyms: 3-(1,3-benzodioxol-5-ylmethyl)-1'-butyl-2'-hydroxy-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H)-dione
Smiles: CCCCN1C(=NC(=O)C2(C1=O)Cc1cc(ccc1N1C2CN(CC1)Cc1ccc2c(c1)OCO2)[N+](=O)[O-])O

STK576258
Synonyms: 2-(6-ethyl-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1ccc(cc1)C1N(c2nc3c(s2)cc(cc3)CC)C(=O)c2c1c(=O)c1c(o2)cccc1

STK576261
Synonyms: 9-(3-fluorophenyl)-6-methyl-2,3,9,10-tetrahydro-8H-cyclopenta[3,4]chromeno[6,7-e][1,3]oxazin-4(1H)-one
Smiles: Fc1cccc(c1)N1COc2c(C1)cc1c(c2C)oc(=O)c2c1CCC2

STK576262
Synonyms: 1-(3-fluorophenyl)-2-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Fc1cccc(c1)C1N(C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK576263
Synonyms: S-benzyl-N-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-L-cysteinyl-beta-alanine
Smiles: O=C(N[C@H](C(=O)NCCC(=O)O)CSCc1ccccc1)CCc1c(=O)oc2c(c1C)cc1c(c2C)occ1C

STK576265
Synonyms: 3-butyl-2,6-dihydroxy-5-[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]pyrimidin-4(3H)-one
Smiles: CCCCn1c(O)nc(c(c1=O)C(=O)/C=C/c1ccc(cc1)OC)O

STK576267
Synonyms: [1-hydroxy-3-phenyl-11-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl](thiophen-2-yl)methanone
Smiles: OC1=C2C(=Nc3c(N(C2c2cccs2)C(=O)c2cccs2)cccc3)CC(C1)c1ccccc1

STK576268
Synonyms: (3S,3a'S,8a'S,8b'R)-5-chloro-2'-(tetrahydrofuran-2-ylmethyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: Clc1ccc2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)CC1CCCO1

STK576269
Synonyms: 4-{[(E)-(2-chloro-6-fluorophenyl)methylidene]amino}-5-(3-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1c(F)cccc1Cl

STK576270
Synonyms: 2-{[4-(4-chlorophenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dichlorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1Cl)Cl)CSc1nnc(n1c1ccc(cc1)Cl)COc1ccccc1

STK576271
Synonyms: 7-[(4-bromobenzyl)sulfanyl]-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine
Smiles: Brc1ccc(cc1)CSc1nnc2n1c1sc3c(c1c1n2ncn1)CCCC3

STK576273
Synonyms: 2-chloro-N'-[(E)-(1-cyclohexyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]benzohydrazide
Smiles: O=C1N=C(S)N(C(=O)/C/1=C/NNC(=O)c1ccccc1Cl)C1CCCCC1

STK576275
Synonyms: 8-(4-ethylphenyl)-1,6,7-trimethyl-3-[2-(piperidin-1-yl)ethyl]-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: CCc1ccc(cc1)n1c2nc3c(n2c(c1C)C)c(=O)n(c(=O)n3C)CCN1CCCCC1

STK576276
Synonyms: 2-(5,7-dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(pyridin-3-ylmethyl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)c(O)cc(c2)O)NCc1cccnc1

STK576277
Synonyms: 4-(4-chlorophenyl)-1-(4-ethoxyphenyl)-N-(3-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: CCOc1ccc(cc1)c1c(C(=O)Nc2cccc(c2)OC)n2c3c1CCCCn3c(c2)c1ccc(cc1)Cl

STK576279
Synonyms: 4-{[({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)N)nnc1COc1ccc(cc1)Cl

STK576280
Synonyms: methyl4-[7-methyl-3,9-dioxo-2-(1,3,4-thiadiazol-2-yl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1N(c2nncs2)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C

STK576282
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)-6-(1,3-benzodioxol-5-yl)-3-[4-(prop-2-en-1-yloxy)phenyl]-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: C=CCOc1ccc(cc1)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2

STK576283
Synonyms: N-{4-[(3a'S,6a'R)-3'-(1H-indol-3-ylmethyl)-5,7-dimethyl-2,4',6'-trioxo-1,2,2',3',3a',4',6',6a'-octahydro-5'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2c[nH]c3c2cccc3)C(=O)Nc2c1cc(C)cc2C

STK576285
Synonyms: 5-bromo-2-{5-[(Z)-(6-hydroxy-4-oxo-2-sulfanylpyrimidin-5(4H)-ylidene)methyl]furan-2-yl}benzoicacid
Smiles: SC1=NC(=O)/C(=C\c2ccc(o2)c2ccc(cc2C(=O)O)Br)/C(=N1)O

STK576286
Synonyms: 3-(furan-2-ylmethyl)-2-(morpholin-4-yl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: O=c1c2c(sc3c2CCCCC3)nc(n1Cc1ccco1)N1CCOCC1

STK576287
Synonyms: N-(2,3-dimethoxybenzyl)-6-methoxy-N-(prop-2-en-1-yl)-1H-indole-2-carboxamide
Smiles: C=CCN(C(=O)c1cc2c([nH]1)cc(cc2)OC)Cc1cccc(c1OC)OC

STK576289
Synonyms: 2-{[5-(3-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)F)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)Cl

STK576290
Synonyms: 4-hydroxy-1,7-dimethyl-8-(2-methylphenyl)-1H-imidazo[2,1-f]purin-2(8H)-one
Smiles: Cc1ccccc1n1c(C)cn2c1nc1c2c(O)nc(=O)n1C

STK576291
Synonyms: N-(2,6-dimethylphenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1c(C)cccc1C)CSc1nnc(n1c1ccccc1)c1cnccn1

STK576293
Synonyms: (5Z)-5-{[1-(4-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one
Smiles: Oc1ccc(cc1)n1c(C)cc(c1C)/C=C/1\SC(=S)N(C1=O)C

STK576294
Synonyms: N-[(2Z)-3-(4-bromo-2-chlorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]cyclopropanecarboxamide
Smiles: Brc1ccc(c(c1)Cl)N1/C(=N/C(=O)C2CC2)/SC2C1CS(=O)(=O)C2

STK576295
Synonyms: methylN-[(3-chloro-4-methylphenyl)carbamoyl]-D-alaninate
Smiles: COC(=O)[C@H](NC(=O)Nc1ccc(c(c1)Cl)C)C

STK576296
Synonyms: N-[(2Z)-3-(1,3-benzodioxol-5-yl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-3-cyclopentylpropanamide
Smiles: O=C(/N=C/1\SC2C(N1c1ccc3c(c1)OCO3)CS(=O)(=O)C2)CCC1CCCC1

STK576297
Synonyms: (3a'S,6a'R)-5'-tert-butyl-5-fluoro-3'-(2-methylpropyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CC(CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C(C)(C)C)C(=O)Nc1c2cc(F)cc1)C

STK576300
Synonyms: (1'S,3R,3'S,7a'S)-7''-chloro-1'-[(2,4-dichlorophenyl)carbonyl]-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Smiles: Clc1ccc(c(c1)Cl)C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cccc1Cl

STK576302
Synonyms: (3a'S,6a'R)-5-bromo-5'-butyl-3'-(2-methylpropyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CC(C)C)C(=O)Nc2c1cc(Br)cc2

STK576303
Synonyms: methyl4-{[7-(2-amino-2-oxoethoxy)-2-methyl-4-oxo-4H-chromen-3-yl]oxy}benzoate
Smiles: COC(=O)c1ccc(cc1)Oc1c(C)oc2c(c1=O)ccc(c2)OCC(=O)N

STK576304
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(3-nitrophenyl)carbonyl]-2'-{[4-(propan-2-yloxy)phenyl]carbonyl}-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: CC(Oc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2cccc(c2)[N+](=O)[O-])N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2)C

STK576306
Synonyms: methyl({6-cyano-8,8-dimethyl-5-[(4-methylphenyl)amino]-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridin-3-yl}sulfanyl)acetate
Smiles: COC(=O)CSc1nnc2n1c(Nc1ccc(cc1)C)c(C#N)c1c2COC(C1)(C)C

STK576307
Synonyms: 4-{[(E)-(4-ethoxyphenyl)methylidene]amino}-5-(3-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1cccc(c1)C

STK576309
Synonyms: 9-(3-hydroxy-4-methoxyphenyl)-6-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: COc1ccc(cc1O)C1C2=C(O)CC(CC2=Nc2n1ncn2)c1ccccc1

STK576311
Synonyms: N-[(1Z)-1-{1-cyano-2-[(3-methoxypropyl)amino]-2-oxoethylidene}-1H-isoindol-3-yl]-3,4-dimethoxybenzamide
Smiles: COCCCNC(=O)/C(=C/1\N=C(c2c1cccc2)NC(=O)c1ccc(c(c1)OC)OC)/C#N

STK576312
Synonyms: ethyl4-[1-methyl-2,4-dioxo-3-(2-phenylethyl)-1,2,3,4,6,7-hexahydro-8H-imidazo[2,1-f]purin-8-yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)CCc1ccccc1

STK576313
Synonyms: 2-[(2-fluorobenzyl)sulfanyl]-7-methyl-3-phenyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c(n1)SCc1ccccc1F)c1ccccc1

STK576314
Synonyms: 5-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}pentan-1-amine
Smiles: NCCCCCc1nnc(o1)SCc1ccc(cc1)C

STK576315
Synonyms: 2-(4,6-dimethylpyrimidin-2-yl)-4-hydroxy-6-(4-methoxyphenyl)-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
Smiles: COc1ccc(cc1)c1cc(O)c2c(n1)[nH]n(c2=O)c1nc(C)cc(n1)C

STK576317
Synonyms: 4-{[(E)-(4-tert-butylphenyl)methylidene]amino}-5-(pyridin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: S=c1[nH]nc(n1/N=C/c1ccc(cc1)C(C)(C)C)c1ccccn1

STK576318
Synonyms: 4-{[(1E,2Z)-2-chloro-3-phenylprop-2-en-1-ylidene]amino}-5-cyclohexyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cl/C(=C\c1ccccc1)/C=N/n1c(n[nH]c1=S)C1CCCCC1

STK576319
Synonyms: 5-hydroxy-4-(4-hydroxyphenyl)-2,7-dimethyl-N-(pyridin-2-yl)-4,6,7,8-tetrahydroquinoline-3-carboxamide
Smiles: CC1CC(=C2C(=NC(=C(C2c2ccc(cc2)O)C(=O)Nc2ccccn2)C)C1)O

STK576320
Synonyms: 2-[(3,4-dimethylphenyl)sulfonyl]-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc2CCN(C(c2cc1OC)C)S(=O)(=O)c1ccc(c(c1)C)C

STK576322
Synonyms: 2-{[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chlorophenyl)acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1nnc(n1N)c1n[nH]c(c1)C

STK576324
Synonyms: 8-[4-(2,6-dichlorobenzyl)piperazin-1-yl]-6-hydroxy-3-methyl-7-(2-methylpropyl)-3,7-dihydro-2H-purin-2-one
Smiles: CC(Cn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)Cc1c(Cl)cccc1Cl)C

STK576325
Synonyms: 2-[(3-hydroxyquinoxalin-2-yl)(phenyl)methyl]-1,3-diphenylpropane-1,3-dione
Smiles: O=C(C(C(=O)c1ccccc1)C(c1nc2ccccc2nc1O)c1ccccc1)c1ccccc1

STK576326
Synonyms: 2,2-dimethyl-8-(morpholin-4-yl)-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine
Smiles: CC(c1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3N1CCOCC1)C

STK576327
Synonyms: (4E)-2-(2,5-dimethoxyphenyl)-4-{[(4-methoxyphenyl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione
Smiles: COc1ccc(cc1)N/C=C/1\c2ccccc2C(=O)N(C1=O)c1cc(OC)ccc1OC

STK576328
Synonyms: 2-{[4-amino-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chlorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nnc(n1N)c1[nH]nc2c1CCC2

STK576329
Synonyms: 3-(4-tert-butylphenyl)-5-[(2-fluorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole
Smiles: Fc1ccccc1CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C

STK576330
Synonyms: 2-[10-(4-chlorophenyl)-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]propanoicacid
Smiles: OC(=O)C(N1C(=O)C2C(C1=O)C1CC2C2C1Sc1c(C2c2ccc(cc2)Cl)sc(=O)[nH]1)C

STK576332
Synonyms: (4Z)-4-[(2,4-dimethylphenyl)imino]-6-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: COc1ccccc1N1CCN(CC1)Cc1nc(N)n/c(=N\c2ccc(cc2C)C)/[nH]1

STK576333
Synonyms: 8-[(2-aminoethyl)amino]-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: NCCNc1nc2c(n1CC(COc1cccc(c1)C)O)c(=O)n(c(=O)n2C)C

STK576334
Synonyms: 4-({2-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}amino)-2-hydroxybenzoicacid
Smiles: O=C(C(N1C(=S)S/C(=C/c2ccco2)/C1=O)C)Nc1ccc(c(c1)O)C(=O)O

STK576335
Synonyms: N-[(2Z)-3-(3,4-dimethoxybenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-3,3-dimethylbutanamide
Smiles: COc1cc(ccc1OC)CN1/C(=N/C(=O)CC(C)(C)C)/SC2C1CS(=O)(=O)C2

STK576336
Synonyms: (5E)-5-{1-[(3,3-diphenylpropyl)amino]ethylidene}-6-hydroxy-3-(4-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: Cc1ccc(cc1)N1C(=O)N=C(/C(=C(\NCCC(c2ccccc2)c2ccccc2)/C)/C1=O)O

STK576337
Synonyms: 2-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)-N-(2-methoxyethyl)acetamide
Smiles: COCCNC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)occ1C(C)(C)C

STK576339
Synonyms: 2-({4-amino-5-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dichlorophenyl)acetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1cc(Cl)ccc1Cl

STK576340
Synonyms: 3-[(3a'S,6a'R)-5'-butyl-5-chloro-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanamide
Smiles: CCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)N)C(=O)Nc2c1cc(Cl)cc2

STK576341
Synonyms: methylN-(pentylcarbamoyl)-L-phenylalaninate
Smiles: CCCCCNC(=O)N[C@H](C(=O)OC)Cc1ccccc1

STK576343
Synonyms: 4-[(4-ethylpiperazin-1-yl)methyl]-7,8-dihydrocyclopenta[g]chromen-2(6H)-one
Smiles: CCN1CCN(CC1)Cc1cc(=O)oc2c1cc1CCCc1c2

STK576345
Synonyms: ethyl6-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(2-fluorophenyl)-2-hydroxy-3,4-dihydropyridine-3-carboxylate
Smiles: CCOC(=O)C1C(=NC(=C(C1c1ccccc1F)C#N)SCC(=O)Nc1ccc(cc1)Br)O

STK576346
Synonyms: 6-hydroxy-3-(propan-2-yl)-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4(3H)-dione
Smiles: CC(N1C(=O)N=C(C2(C1=O)Cc1ccccc1N1C2CCC1)O)C

STK576349
Synonyms: 6,7-dimethoxy-3-[2-(morpholin-4-yl)ethyl]-2-sulfanylquinazolin-4(3H)-one
Smiles: COc1cc2c(cc1OC)nc(n(c2=O)CCN1CCOCC1)S

STK576350
Synonyms: 2-{[5-(3-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
Smiles: CCc1ccccc1NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)Cl

STK576352
Synonyms: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]acetamide
Smiles: COc1cc2CN(CCc2cc1OC)CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC1

STK576353
Synonyms: 2-({5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N,N-dimethylacetamide
Smiles: CC([C@@H](c1nnc(o1)SCC(=O)N(C)C)N)C

STK576354
Synonyms: N-(3-fluorophenyl)-2-{[5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)F)CSc1nnc(n1Cc1ccco1)c1ccccc1F

STK576356
Synonyms: 9-(4-fluorophenyl)-1-methyl-3-(prop-2-en-1-yl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: C=CCn1c(=O)n(C)c2c(c1=O)n1CCCN(c1n2)c1ccc(cc1)F

STK576357
Synonyms: 9-hydroxy-7,7-dimethyl-10-(2,3,4-trimethoxyphenyl)-6,7,8,10-tetrahydro-11H-indeno[1,2-b]quinolin-11-one
Smiles: COc1ccc(c(c1OC)OC)C1C2=C(O)CC(CC2=NC2=C1C(=O)c1c2cccc1)(C)C

STK576358
Synonyms: 3-(furan-2-ylmethyl)-2-[(3-methoxypropyl)amino]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: COCCCNc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCCC3

STK576360
Synonyms: N-[(3E)-1-ethyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-4-nitrobenzenesulfonamide
Smiles: CCn1[nH]/c(=N/S(=O)(=O)c2ccc(cc2)[N+](=O)[O-])/c2c1nc1ccccc1c2

STK576362
Synonyms: 3-[2-(4-chloro-2-methylphenoxy)ethyl]-2-(4-chlorophenyl)quinazolin-4(3H)-one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOc1ccc(cc1C)Cl

STK576363
Synonyms: 1-{[5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-yl]amino}propan-2-ol
Smiles: CC(CNc1ncnc2c1oc1c2c2CCCCc2c(n1)CC(C)C)O

STK576364
Synonyms: 3-(3-chlorophenyl)-1-[3-(propan-2-yloxy)propyl]-1-(pyridin-2-ylmethyl)urea
Smiles: CC(OCCCN(C(=O)Nc1cccc(c1)Cl)Cc1ccccn1)C

STK576365
Synonyms: 1-benzyl-6-butyl-2-hydroxy-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: CCCCN1CNc2c(C1)c(=O)nc(n2Cc1ccccc1)O

STK576366
Synonyms: N-[(1S)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-phenoxybenzamide
Smiles: CSCC[C@@H](c1nnc2n1cccc2)NC(=O)c1ccc(cc1)Oc1ccccc1

STK576368
Synonyms: N,1-bis(4-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: COc1ccc(cc1)c1c(C(=O)Nc2ccc(cc2)OC)n2c3c1CCCCn3c(c2)c1ccc(cc1)C

STK576370
Synonyms: N'-[2,2-dimethyl-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-yl]-N,N-diethylpropane-1,3-diamine
Smiles: CCN(CCCNc1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C(C)C)CC

STK576371
Synonyms: N-[4-(3,4-dimethoxyphenyl)-1,2,5-oxadiazol-3-yl]-4-propoxybenzamide
Smiles: CCCOc1ccc(cc1)C(=O)Nc1nonc1c1ccc(c(c1)OC)OC

STK576372
Synonyms: methyl6-hydroxy-2-methyl-4-(phenylcarbamoyl)-4,5-dihydropyridine-3-carboxylate
Smiles: COC(=O)C1=C(C)N=C(CC1C(=O)Nc1ccccc1)O

STK576373
Synonyms: 2-ethyl-3-methyl-1-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(c1N/N=C/c1ccncc1)c1ccccc1n2

STK576374
Synonyms: 7-(4-bromobenzyl)-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)amino]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CN1CCN(CC1)Nc1nc2c(n1Cc1ccc(cc1)Br)c(=O)n(c(=O)n2C)C

STK576375
Synonyms: 4-{[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]amino}-5-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1cc(Br)cc(c1O)Br

STK576377
Synonyms: 1-(4-ethylphenyl)-4-(4-methoxyphenyl)-N-(3-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: CCc1ccc(cc1)c1c(C(=O)Nc2cccc(c2)C)n2c3c1CCCCn3c(c2)c1ccc(cc1)OC

STK576378
Synonyms: 9-[4-(propan-2-yl)phenyl]-6-(thiophen-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CC(c1ccc(cc1)C1C2=C(O)CC(CC2=Nc2n1ncn2)c1cccs1)C

STK576379
Synonyms: (3a'S,6a'R)-5-chloro-5'-(2-chlorobenzyl)-7-methyl-3'-(propan-2-yl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CC(C1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccccc1Cl)C(=O)Nc1c2cc(Cl)cc1C)C

STK576382
Synonyms: 1-benzyl-N-(3-hydroxypropyl)-9-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: OCCCNC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1C

STK576384
Synonyms: 2-[(3a'S,6a'R)-7-chloro-5'-(4-fluorobenzyl)-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]acetamide
Smiles: NC(=O)CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccc(cc1)F)C(=O)Nc1c2cccc1Cl

STK576386
Synonyms: 3-(1,3-benzothiazol-2-yl)-8-[(3-methylpiperidinium-1-yl)methyl]-4-oxo-4H-chromen-7-olate
Smiles: CC1CCC[NH+](C1)Cc1c([O-])ccc2c1occ(c2=O)c1nc2c(s1)cccc2

STK576387
Synonyms: (3S,3a'R,8a'S,8b'S)-7-chloro-2'-(3-chlorophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: Clc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cccc2Cl

STK576388
Synonyms: 4-methyl-9-(pyridin-2-ylmethyl)-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-2-one
Smiles: O=c1cc(C)c2c(o1)c1CN(COc1cc2)Cc1ccccn1

STK576389
Synonyms: 1-cyclopentyl-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine
Smiles: Nc1n(C2CCCC2)c2c(c1S(=O)(=O)c1ccccc1)nc1c(n2)cccc1

STK576391
Synonyms: N-[(2Z)-3-(3,4-dimethoxybenzyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]acetamide
Smiles: COc1cc(ccc1OC)CN1/C(=N/C(=O)C)/SC2C1CS(=O)(=O)C2

STK576392
Synonyms: 5-(4-ethoxyphenyl)-4-{[(E)-thiophen-2-ylmethylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1cccs1

STK576393
Synonyms: (3R,3'S,5'S)-5-bromo-N-(4-methoxyphenyl)-5'-(2-methylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,2'-pyrrolidine]-3'-carboxamide
Smiles: COc1ccc(cc1)NC(=O)[C@H]1C[C@@H](N[C@@]21C(=O)Nc1c2cc(Br)cc1)CC(C)C

STK576394
Synonyms: 4-{[(E)-(2,3-dimethoxyphenyl)methylidene]amino}-5-(3-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1cccc(c1OC)OC

STK576395
Synonyms: {(2E)-4-oxo-2-[(2Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl}aceticacid
Smiles: OC(=O)CC1S/C(=N/N=C/2\C(=O)Nc3c2cccc3)/NC1=O

STK576396
Synonyms: N-[5-(diethylsulfamoyl)-2-methylphenyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Smiles: CCN(S(=O)(=O)c1ccc(c(c1)NC(=S)N1CCc2c(C1)cc(c(c2)OC)OC)C)CC

STK576397
Synonyms: 1-(3-fluorophenyl)-7-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Fc1cccc(c1)C1N(c2nnc(s2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C

STK576398
Synonyms: 1-(3-chlorophenyl)-6-(3-phenylpropyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: Clc1cccc(c1)n1c(S)nc(=O)c2c1NCN(C2)CCCc1ccccc1

STK576400
Synonyms: 4-[(2E)-2-(2,3,4-trimethoxybenzylidene)hydrazinyl]-5H-pyrimido[5,4-b]indole
Smiles: COc1c(OC)ccc(c1OC)/C=N/Nc1ncnc2c1[nH]c1c2cccc1

STK576401
Synonyms: (3'E)-3'-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-ethyl-1'-(2-methoxyethyl)spiro[indole-3,2'-pyrrolidine]-2,4',5'(1H)-trione
Smiles: COCCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C21C(=O)N(c1c2cccc1)CC

STK576402
Synonyms: 6-(3-chlorophenyl)-9-(2-fluorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: Clc1cccc(c1)C1CC(=C2C(=Nc3n(C2c2ccccc2F)ncn3)C1)O

STK576403
Synonyms: 2-[(2,4-dimethylphenyl)amino]-6-methyl-5-(3-methylbutyl)pyrimidin-4-ol
Smiles: CC(CCc1c(C)nc(nc1O)Nc1ccc(cc1C)C)C

STK576405
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[methyl(phenyl)amino]methyl}-N'-[(2E)-4-phenylbutan-2-ylidene]-1H-1,2,3-triazole-4-carbohydrazide
Smiles: C/C(=N\NC(=O)c1nnn(c1CN(c1ccccc1)C)c1nonc1N)/CCc1ccccc1

STK576406
Synonyms: N-(3-fluoro-4-methylphenyl)-2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)F)C)nnc1c1ccccc1F

STK576407
Synonyms: 3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H,6H-benzo[3,4]chromeno[8,7-e][1,3]oxazin-6-one
Smiles: COc1cc(cc(c1OC)OC)N1COc2c(C1)c1oc(=O)c3c(c1cc2)cccc3

STK576408
Synonyms: 2-ethyl-3-methyl-1-[(2E)-2-(quinolin-6-ylmethylidene)hydrazinyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(c1N/N=C/c1ccc3c(c1)cccn3)c1ccccc1n2

STK576409
Synonyms: 3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-ol
Smiles: Oc1c2CCCCc2nc2n1ncc2c1ccccc1

STK576412
Synonyms: 5,6-dimethoxy-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-indole-2-carboxamide
Smiles: COc1cc2[nH]c(cc2cc1OC)C(=O)NC12CC3CC(C2)CC(C1)C3

STK576414
Synonyms: N-{(2S)-1-oxo-3-phenyl-1-[(1-phenylethyl)amino]propan-2-yl}-2,3-dihydro-1H-imidazo[1,2-a]benzimidazole-1-carboxamide
Smiles: O=C([C@@H](NC(=O)N1CCn2c1nc1c2cccc1)Cc1ccccc1)NC(c1ccccc1)C

STK576416
Synonyms: 4-{[(E)-(4-tert-butylphenyl)methylidene]amino}-5-(2-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Fc1ccccc1c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C(C)(C)C

STK576417
Synonyms: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-{(2S)-1-oxo-1-[(1-phenylethyl)amino]propan-2-yl}pyrrolidine-3-carboxamide
Smiles: O=C([C@@H](NC(=O)C1CC(=O)N(C1)c1ccc2c(c1)OCCO2)C)NC(c1ccccc1)C

STK576418
Synonyms: 2-(9-methoxy-5-oxo-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-6(5H)-yl)acetamide
Smiles: COc1ccc2c(c1)c1nc3SCCn3c(=O)c1n2CC(=O)N

STK576419
Synonyms: 2-(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc(c(c2)O)Cl)NC1CC(C)(C)NC(C1)(C)C

STK576421
Synonyms: N-(3-chloro-4-methoxyphenyl)-2-{[4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)Cl)OC)nnc1c1cccc(c1)C

STK576423
Synonyms: 2-{[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(COc2ccccc2)nnc1SCC(=O)N

STK576424
Synonyms: 1-(4-chlorophenyl)-N-(4-methoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1n2cc(n3c2c(c1c1ccc(cc1)Cl)CCCC3)c1ccccc1

STK576425
Synonyms: (3a'S,6a'R)-5'-butyl-5-fluoro-3'-(propan-2-yl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2C(C)C)C(=O)Nc2c1cc(F)cc2

STK576426
Synonyms: N-(2-methoxydibenzo[b,d]furan-3-yl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Smiles: COc1cc2c(cc1NC(=O)c1nn3c(n1)nc(cc3C)C)oc1c2cccc1

STK576427
Synonyms: (4E)-2-(5-chloro-2-methylphenyl)-4-({[3-(morpholin-4-yl)propyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione
Smiles: Clc1ccc(c(c1)N1C(=O)/C(=C/NCCCN2CCOCC2)/c2c(C1=O)cccc2)C

STK576428
Synonyms: 2-{[5-(3-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1H-indazol-6-yl)acetamide
Smiles: O=C(Nc1ccc2c(c1)[nH]nc2)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)Cl

STK576429
Synonyms: 3-(2-chlorobenzyl)-1,6,7,8-tetramethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Clc1ccccc1Cn1c(=O)n(C)c2c(c1=O)n1c(n2)n(c(c1C)C)C

STK576431
Synonyms: N-[(2Z)-3-[4-(dimethylamino)phenyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]tetrahydrofuran-2-carboxamide
Smiles: O=C(C1CCCO1)/N=C/1\SC2C(N1c1ccc(cc1)N(C)C)CS(=O)(=O)C2

STK576432
Synonyms: 5-hydroxy-4-(4-methoxyphenyl)-7,7-dimethyl-2-(methylsulfanyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: COc1ccc(cc1)C1C(=C(SC)N=C2C1=C(O)CC(C2)(C)C)C#N

STK576434
Synonyms: 2-(benzylsulfanyl)-6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: CCc1c(C)nc2n(c1O)nc(n2)SCc1ccccc1

STK576435
Synonyms: 2-{[5-(3-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)Cl)C

STK576436
Synonyms: 9-(3,4-dimethoxyphenyl)-6-(2-methylphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: COc1ccc(cc1OC)C1C2=C(O)CC(CC2=Nc2n1ncn2)c1ccccc1C

STK576437
Synonyms: 3-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-ol
Smiles: COc1cc(ccc1OC)c1cnn2c1nc1CCCCc1c2O

STK576439
Synonyms: N-{(2S)-1-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-3-methyl-1-oxobutan-2-yl}-1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxamide
Smiles: CC([C@@H](C(=O)NC1CCS(=O)(=O)C1)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C)C

STK576440
Synonyms: 2-[3-(4-chlorophenyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]-N-(2-methoxyethyl)acetamide
Smiles: COCCNC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1c1ccc(cc1)Cl

STK576441
Synonyms: (2Z)-2-(2-bromobenzylidene)-3-oxo-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Smiles: O=C1/C(=C/c2ccccc2Br)/Oc2c1ccc(c2C[NH+]1CCCC1)[O-]

STK576443
Synonyms: (5Z)-3-benzyl-5-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-ylidene]-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: COc1cc(OC)ccc1C1NN/C(=C\2/C(=NC(=O)N(C2=O)Cc2ccccc2)O)/C1

STK576444
Synonyms: 3,6-diamino-5-cyano-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxamide
Smiles: N#Cc1cc2c(nc1N)sc(c2N)C(=O)Nc1ccc(cc1)OC(F)(F)F

STK576446
Synonyms: 5-{2-[(2-chlorobenzyl)oxy]phenyl}-N'-[(E)-(4-fluorophenyl)methylidene]-1H-pyrazole-3-carbohydrazide
Smiles: Fc1ccc(cc1)/C=N/NC(=O)c1n[nH]c(c1)c1ccccc1OCc1ccccc1Cl

STK576447
Synonyms: 2-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)-N-(propan-2-yl)acetamide
Smiles: CC(NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)occ1C(C)(C)C)C

STK576448
Synonyms: 3-(3-chlorobenzyl)-8-(4-methoxyphenyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: COc1ccc(cc1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1cccc(c1)Cl

STK576449
Synonyms: 3-[(2-methylbenzyl)sulfanyl]-5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Smiles: C=CCn1c(SCc2ccccc2C)nnc1c1cccc(c1)C

STK576450
Synonyms: 9-(3-chloro-4-methoxyphenyl)-6-methyl-2,3,9,10-tetrahydro-8H-cyclopenta[3,4]chromeno[6,7-e][1,3]oxazin-4(1H)-one
Smiles: COc1ccc(cc1Cl)N1COc2c(C1)cc1c(c2C)oc(=O)c2c1CCC2

STK576452
Synonyms: N-[(2Z)-3-(4-chloro-2-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]butanamide
Smiles: CCCC(=O)/N=C/1\SC2C(N1c1ccc(cc1OC)Cl)CS(=O)(=O)C2

STK576453
Synonyms: N-{[4-(trifluoromethoxy)phenyl]carbamoyl}-L-methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)Nc1ccc(cc1)OC(F)(F)F

STK576454
Synonyms: (4E)-1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]pyrrolidine-2,3-dione
Smiles: C=CCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)C

STK576455
Synonyms: (3R)-N-{(2S)-1-[(2-methoxybenzyl)amino]-1-oxopropan-2-yl}-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Smiles: COc1ccccc1CNC(=O)[C@@H](NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)C

STK576456
Synonyms: N-(3-chloro-4-fluorophenyl)-2-({4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)Cl)F)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)C

STK576457
Synonyms: 4-{[(E)-(3-fluorophenyl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1cccc(c1)F

STK576459
Synonyms: 7-(2,3-dihydroxypropyl)-8-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCC(Cn1c(CN2CC(C)OC(C2)C)nc2c1c(=O)n(c(=O)n2C)C)O

STK576461
Synonyms: N-(2-hydroxypropyl)-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: CC(CNC(=O)c1nn2c(n1)c1c(nc2C)sc2c1CC(C)(C)OC2)O

STK576463
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)C)C)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)Cl

STK576465
Synonyms: (5E)-5-{1-[(2,5-dimethoxyphenyl)amino]propylidene}-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
Smiles: C=CCN1C(=O)N=C(/C(=C(\Nc2cc(OC)ccc2OC)/CC)/C1=O)O

STK576466
Synonyms: methylN-[(2,3-dimethylphenyl)carbamoyl]-D-phenylalaninate
Smiles: COC(=O)[C@H](NC(=O)Nc1cccc(c1C)C)Cc1ccccc1

STK576467
Synonyms: N-(4-bromo-3-methylphenyl)-2-{[5-(3-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)C)Br)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)Cl

STK576468
Synonyms: (4E)-4-[furan-2-yl(hydroxy)methylidene]-5-(4-methoxyphenyl)-1-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)C1/C(=C(/c2ccco2)\O)/C(=O)C(=O)N1c1nnc(s1)SC

STK576469
Synonyms: 4-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1c(c2ccccc2)c2c3n1cc(n3CCCC2)c1ccc(cc1)Cl

STK576470
Synonyms: 2-(ethylsulfanyl)-9-(3-fluorophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CCSc1nn2c(n1)N=C1C(=C(O)CCC1)C2c1cccc(c1)F

STK576471
Synonyms: 5-(2-fluorophenyl)-4-{[(E)-furan-2-ylmethylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Fc1ccccc1c1n[nH]c(=S)n1/N=C/c1ccco1

STK576472
Synonyms: 4-{(2E)-2-[(6-methoxy-1H-indol-3-yl)methylidene]hydrazinyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Smiles: COc1ccc2c(c1)[nH]cc2/C=N/Nc1ncnc2c1c1CCCCc1s2

STK576474
Synonyms: 1-benzyl-4-hydroxy-2-oxo-N-[(2E)-4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,3-thiazol-2(3H)-ylidene]-1,2-dihydroquinoline-3-carboxamide
Smiles: O=C(c1c(O)c2ccccc2n(c1=O)Cc1ccccc1)/N=c\1/scc([nH]1)C12CC3CC(C2)CC(C1)C3

STK576475
Synonyms: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
Smiles: O=C(Nc1ccc(c(c1)C(F)(F)F)Cl)CCCn1nnc2c(c1=O)cccc2

STK576477
Synonyms: 5-{[2-(4-benzylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1N(C)C(=O)C(=Cc2c(nc3n(c2=O)cccc3)N2CCN(CC2)Cc2ccccc2)C(=O)N1C

STK576478
Synonyms: N-[5-(diethylsulfamoyl)-2-methylphenyl]-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline-8(7H)-carbothioamide
Smiles: CCN(S(=O)(=O)c1ccc(c(c1)NC(=S)N1CCc2c(C1)cc1c(c2)OCCCO1)C)CC

STK576482
Synonyms: N-[(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]norleucyl-D-phenylalanine
Smiles: CCCCC(C(=O)N[C@@H](C(=O)O)Cc1ccccc1)NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)oc2c1CCCC2

STK576483
Synonyms: 6-(1-phenylethyl)-1-(prop-2-en-1-yl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: C=CCn1c(S)nc(=O)c2c1NCN(C2)C(c1ccccc1)C

STK576484
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(3,4-dimethoxyphenyl)carbonyl]-2'-{[3-(prop-2-en-1-yloxy)phenyl]carbonyl}-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: C=CCOc1cccc(c1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(c(c2)OC)OC)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK576485
Synonyms: (1'S,3R,3'S,7a'S)-6'',7''-dimethyl-1'-(naphthalen-2-ylcarbonyl)-5',6',7',7a'-tetrahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''(1H,1''H)-dione
Smiles: O=C([C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2ccc(c1C)C)c1ccc2c(c1)cccc2

STK576486
Synonyms: 3-(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)-N-[3-(1H-imidazol-1-yl)propyl]propanamide
Smiles: O=C(CCc1c(=O)oc2c(c1C)cc1c(c2C)occ1C(C)(C)C)NCCCn1cncc1

STK576487
Synonyms: (2Z)-2-[(2E)-(furan-2-ylmethylidene)hydrazinylidene]-4-hydroxy-N-(3-methylphenyl)-5,6-dihydro-2H-1,3-thiazine-6-carboxamide
Smiles: O=C(C1CC(=N/C(=N/N=C/c2ccco2)/S1)O)Nc1cccc(c1)C

STK576488
Synonyms: tert-butyl{1-[4-({2-[(4-fluorophenyl)amino]-2-oxoethyl}carbamoyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl}carbamate
Smiles: O=C(OC(C)(C)C)NC(C(=O)N1CCC(CC1)C(=O)NCC(=O)Nc1ccc(cc1)F)Cc1ccccc1

STK576490
Synonyms: N,4-dimethyl-N-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: Cc1ccc(cc1)C(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)C

STK576492
Synonyms: 2,7-dimethyl-4-[2-(piperidin-1-yl)ethyl]-4H-[1,3]thiazolo[5,4-b]indole
Smiles: Cc1ccc2c(c1)c1nc(sc1n2CCN1CCCCC1)C

STK576493
Synonyms: 2-(3-hydroxy-5-methyl-4H-pyrazol-4-yl)-N'-[(E)-(2-hydroxyphenyl)methylidene]acetohydrazide
Smiles: O=C(CC1C(=NN=C1O)C)N/N=C/c1ccccc1O

STK576494
Synonyms: (4E)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-[3-(prop-2-en-1-yloxy)phenyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
Smiles: C=CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1nccs1

STK576495
Synonyms: 7'-[(E)-(4-hydroxy-2,6-dioxo-1-phenyl-1,6-dihydropyrimidin-5(2H)-ylidene)methyl]-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione
Smiles: OC1=NC(=O)N(C(=O)/C/1=C/c1ccc2c(c1)CC1(C3N2CCC3)C(=O)N(C)C(=O)N(C1=O)C)c1ccccc1

STK576496
Synonyms: 3-(9-methyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenol
Smiles: CN1CCc2c(C1)sc1c2c2nc(nn2cn1)c1cccc(c1)O

STK576497
Synonyms: [2-({(2'S,3S,3'S,10b'R)-2'-[(2-chlorophenyl)carbonyl]-2-oxo-1,2,2',3'-tetrahydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-3'-yl}carbonyl)phenoxy]acetonitrile
Smiles: N#CCOc1ccccc1C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccccc1Cl)C(=O)Nc1c2cccc1)cccc3

STK576498
Synonyms: N-[4,6-dioxo-1-(2-phenylethyl)-2-sulfanyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-fluorobenzamide
Smiles: Fc1ccc(cc1)C(=O)NC1(C(=O)Nc2c1c(=O)nc(n2CCc1ccccc1)S)C(F)(F)F

STK576499
Synonyms: 6-[(2E)-2-benzylidene-1-methylhydrazinyl]-2-hydroxy-3-methylpyrimidin-4(3H)-one
Smiles: CN(c1nc(O)n(c(=O)c1)C)/N=C/c1ccccc1

STK576500
Synonyms: 2-(6-fluoro-1,3-benzothiazol-2-yl)-7-methyl-1-(3-propoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: CCCOc1cccc(c1)C1N(c2sc3c(n2)ccc(c3)F)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C

STK576502
Synonyms: 3-benzyl-1,7-dimethyl-8-(tetrahydrofuran-2-ylmethyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc1n2cc(n1CC1CCCO1)C

STK576503
Synonyms: N-(3-methylphenyl)-2-{[4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1nnc(n1c1ccc(cc1)C)Cc1cccs1

STK576504
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(2-chlorophenyl)carbonyl]-2'-(phenylcarbonyl)-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: Clc1ccccc1C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccccc1)C(=O)Nc1c2cccc1)cccc3

STK576505
Synonyms: ethyl{1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Smiles: CCOC(=O)Cn1c(CN2CCN(CC2)c2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK576508
Synonyms: (4E)-4-({1-[3-(benzylamino)-2-hydroxypropyl]-1H-indol-3-yl}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: OC(Cn1cc(c2c1cccc2)/C=C/1\C(=NN(C1=O)c1ccccc1)C)CNCc1ccccc1

STK576509
Synonyms: ethyl[(3,4-dimethoxyphenyl)(phenylamino)methyl][4-(dimethylamino)phenyl]phosphinate
Smiles: CCOP(=O)(C(c1ccc(c(c1)OC)OC)Nc1ccccc1)c1ccc(cc1)N(C)C

STK576510
Synonyms: 3-{(Z)-[4-oxo-3-(3-phenylpropyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(pyrrolidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: S=C1S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCCC2)/C(=O)N1CCCc1ccccc1

STK576511
Synonyms: (3a'S,6a'R)-3'-(butan-2-yl)-5'-(4-fluorobenzyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CCC(C1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccc(cc1)F)C(=O)Nc1c2cccc1)C

STK576513
Synonyms: 3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCN(CC2)c2ccccc2F)/C1=O

STK576514
Synonyms: N-(3,4-dimethoxyphenyl)-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)acetamide
Smiles: COc1cc(ccc1OC)NC(=O)Cn1c(O)nc2c(c1=O)cccc2

STK576518
Synonyms: (5Z)-3-(4-chlorophenyl)-6-hydroxy-5-{[1-(2-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}pyrimidine-2,4(3H,5H)-dione
Smiles: Clc1ccc(cc1)N1C(=O)N=C(/C(=C/c2cc(n(c2C)c2ccccc2O)C)/C1=O)O

STK576519
Synonyms: 4,5,6-trimethoxy-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-indole-2-carboxamide
Smiles: COc1cc2[nH]c(cc2c(c1OC)OC)C(=O)NC12CC3CC(C2)CC(C1)C3

STK576523
Synonyms: 6,7-dimethoxy-1-methyl-2-[(2-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc2c(cc1OC)CCN(C2C)S(=O)(=O)c1ccccc1[N+](=O)[O-]

STK576525
Synonyms: 2-bromo-N'-{4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}benzohydrazide
Smiles: O=C(NNC(=O)c1ccccc1Br)CCCN1C(=S)S/C(=C\c2ccccc2Cl)/C1=O

STK576526
Synonyms: N-benzyl-8-chloro[1]benzofuro[3,2-d]pyrimidin-4-amine
Smiles: Clc1ccc2c(c1)c1ncnc(c1o2)NCc1ccccc1

STK576528
Synonyms: (4E)-4-[hydroxy(4-methylphenyl)methylidene]-5-(4-methylphenyl)-1-(2-phenylethyl)pyrrolidine-2,3-dione
Smiles: Cc1ccc(cc1)C1/C(=C(/c2ccc(cc2)C)\O)/C(=O)C(=O)N1CCc1ccccc1

STK576530
Synonyms: N-[(3Z)-6-methyl-1-propyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-2-nitrobenzenesulfonamide
Smiles: CCCn1[nH]/c(=N\S(=O)(=O)c2ccccc2[N+](=O)[O-])/c2c1nc1ccc(cc1c2)C

STK576532
Synonyms: N,N-dimethyl-N'-[4-(propan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-7-yl]ethane-1,2-diamine
Smiles: CN(CCNc1ncnc2c1oc1c2c2CCCc2c(n1)C(C)C)C

STK576534
Synonyms: N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-(2-methylpropyl)benzenesulfonamide
Smiles: CC(CN(S(=O)(=O)c1ccccc1)Cc1cc2cccc(c2[nH]c1=O)C)C

STK576535
Synonyms: 3-(2-ethoxyethyl)-9-(4-fluorophenyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Smiles: CCOCCn1c(=O)n(C)c2c(c1=O)n1CC(C)CN(c1n2)c1ccc(cc1)F

STK576537
Synonyms: 3-chloro-1,2-benzothiazole
Smiles: Clc1nsc2c1cccc2

STK576539
Synonyms: (3R,3'S,5'S)-N-(4-methoxyphenyl)-7-methyl-5'-(2-methylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,2'-pyrrolidine]-3'-carboxamide
Smiles: COc1ccc(cc1)NC(=O)[C@H]1C[C@@H](N[C@@]21C(=O)Nc1c2cccc1C)CC(C)C

STK576541
Synonyms: (3a'R,8b'S)-5-bromo-2'-tert-butyl-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: Brc1ccc2c(c1)C1(C(=O)N2)N2CCCC2[C@@H]2[C@H]1C(=O)N(C2=O)C(C)(C)C

STK576545
Synonyms: 5-{[3-(diethylamino)propyl]amino}-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile
Smiles: CCN(CCCNc1oc(nc1C#N)c1ccccc1[N+](=O)[O-])CC

STK576546
Synonyms: 2-(3-tert-butyl-4,9-dimethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl)-N-(3-hydroxypropyl)acetamide
Smiles: OCCCNC(=O)Cc1c(=O)oc2c(c1C)c1occ(c1c(c2)C)C(C)(C)C

STK576547
Synonyms: 4-hydroxy-6-(4-methoxyphenyl)-2-phenyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
Smiles: COc1ccc(cc1)c1cc(O)c2c(n1)[nH]n(c2=O)c1ccccc1

STK576548
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)-6-(1,3-benzodioxol-5-yl)-3-[4-(benzyloxy)phenyl]-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Smiles: O=C1N(c2ccc3c(c2)OCO3)C(=O)[C@@H]2[C@H]1[C@H]1C[C@@H]2[C@@H]2[C@H]1C(=NO2)c1ccc(cc1)OCc1ccccc1

STK576549
Synonyms: 8-bromo-3-methyl-7-[2-(3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)[nH]c(=O)c2c1ncn2CCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C

STK576550
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(4-chlorophenyl)carbonyl]-2'-[(3-nitrophenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: Clc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1cccc(c1)[N+](=O)[O-])C(=O)Nc1c2cccc1)cccc3

STK576552
Synonyms: (3a'R,8b'S)-2'-butyl-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Smiles: CCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(N3C2CCC3)C(=O)Nc2c1cccc2

STK576556
Synonyms: 9,10-dimethoxy-3,3-dimethyl-13-(4-nitrophenyl)-2,3,4,6,7,13-hexahydro-1H-isoquino[2,1-a]quinolin-1-one
Smiles: COc1cc2c(cc1OC)CCN1C2=CC(c2ccc(cc2)[N+](=O)[O-])C2=C1CC(CC2=O)(C)C

STK576558
Synonyms: 1,4-bis(4-chlorophenyl)-N-(2-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: COc1ccccc1NC(=O)c1n2cc(n3c2c(c1c1ccc(cc1)Cl)CCCC3)c1ccc(cc1)Cl

STK576559
Synonyms: N-(2-methoxyethyl)-5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-amine
Smiles: COCCNc1ncnc2c1oc1c2c2CCCCc2c(n1)CC(C)C

STK576560
Synonyms: methyl{[9-(3,5-difluorophenyl)-8-hydroxy-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-2-yl]sulfanyl}acetate
Smiles: COC(=O)CSc1nn2c(n1)N=C1C(=C(O)CC(C1)(C)C)C2c1cc(F)cc(c1)F

STK576561
Synonyms: (5E)-2-[4-(3-chlorophenyl)piperazin-1-yl]-5-{[5-(2,5-dichlorophenyl)furan-2-yl]methylidene}-1,3-thiazol-4(5H)-one
Smiles: Clc1cccc(c1)N1CCN(CC1)C1=NC(=O)/C(=C\c2ccc(o2)c2cc(Cl)ccc2Cl)/S1

STK576565
Synonyms: N-[(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]glycyl-L-isoleucyl-L-phenylalanine
Smiles: CC[C@H]([C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)NC(=O)CNC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C(C)(C)C)C

STK576567
Synonyms: N,N-dimethyl-N'-(2,8,10-trimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-4-yl)propane-1,3-diamine
Smiles: CN(CCCNc1cc(C)nc2n1nc1c2c(C)cc(n1)C)C

STK576570
Synonyms: 3-(2,4-dimethoxyphenyl)-7-(naphthalen-2-yl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
Smiles: COc1ccc(c(c1)OC)C1=NOC2(C1)CC(=O)N(C2=O)c1ccc2c(c1)cccc2

STK576571
Synonyms: 3,4,5-trimethoxy-N-{[(2Z)-4-phenyl-1,3-thiazol-2(3H)-ylidene]carbamothioyl}benzamide
Smiles: COc1cc(cc(c1OC)OC)C(=O)NC(=S)/N=c/1\scc([nH]1)c1ccccc1

STK576574
Synonyms: 1-(3,4-dichlorophenyl)-2-{[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)c2ccc(c(c2)Cl)Cl)nnc1COc1ccccc1

STK576575
Synonyms: (4Z)-6-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-4-(phenylimino)-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: Nc1nc(CN2CCN(CC2)C(c2ccccc2)c2ccccc2)[nH]/c(=N/c2ccccc2)/n1

STK576578
Synonyms: 2-(6-oxo-3,4-dihydro-2H-[1,3]thiazino[3',2':1,2]pyrimido[5,4-b]indol-7(6H)-yl)-N-phenylacetamide
Smiles: O=C(Cn1c2ccccc2c2c1c(=O)n1CCCSc1n2)Nc1ccccc1

STK576579
Synonyms: 5-(4-chlorophenyl)-6-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Smiles: OCC(n1cc2c(c1c1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C)(C)C

STK576580
Synonyms: N-(furan-2-ylmethyl)-2-methyl-N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]propanamide
Smiles: O=C(N(Cc1cc2cccc(c2[nH]c1=O)C)Cc1ccco1)C(C)C

STK576581
Synonyms: methyl2-({(E)-[2-(6-methylpyridin-2-yl)-1,3-dioxo-2,3-dihydroisoquinolin-4(1H)-ylidene]methyl}amino)benzoate
Smiles: COC(=O)c1ccccc1N/C=C\1/C(=O)N(c2cccc(n2)C)C(=O)c2c1cccc2

STK576582
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(4-chlorophenyl)carbonyl]-2'-[(3,4-dimethoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1ccc(cc1OC)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)Cl)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK576583
Synonyms: (2-{[(2'S,3S,3'S,10b'R)-2-oxo-2'-(pyridin-3-ylcarbonyl)-1,2,2',3'-tetrahydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-3'-yl]carbonyl}phenoxy)acetonitrile
Smiles: N#CCOc1ccccc1C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1cccnc1)C(=O)Nc1c2cccc1)cccc3

STK576584
Synonyms: 4-[7-(3-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]phenol
Smiles: Oc1ccc(cc1)c1nnc2n1cnc1c2cnn1c1cccc(c1)C

STK576586
Synonyms: 7-ethyl-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1ccc(cc1)N1CCN(CC1)Cc1nc2c(n1CC)c(=O)n(c(=O)n2C)C

STK576589
Synonyms: 3-{3-[bis(2-hydroxyethyl)amino]propyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: OCCN(CCCn1cnc2c(c1=O)[nH]c1c2cccc1)CCO

STK576592
Synonyms: (5E)-5-(1-{[3-(dimethylamino)propyl]amino}propylidene)-6-hydroxy-3-(4-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)C)O)/NCCCN(C)C

STK576593
Synonyms: 4-{[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]amino}-5-(2-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1ccc(cc1OC)/C=N/n1c(=S)[nH]nc1c1ccccc1F

STK576594
Synonyms: (4E)-5-(3,4-dichlorophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Smiles: Cc1nnc(s1)N1C(c2ccc(c(c2)Cl)Cl)/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C1=O

STK576596
Synonyms: 3-{1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxobutan-2-yl}quinazolin-4(3H)-one
Smiles: CCC(n1cnc2c(c1=O)cccc2)C(=O)N1CCN(CC1)c1cccc(c1C)C

STK576597
Synonyms: 2-(1,3-benzodioxol-5-yl)-9-chloro-5-(2-ethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Smiles: CCOc1ccccc1C1Oc2ccc(cc2C2N1N=C(C2)c1ccc2c(c1)OCO2)Cl

STK576598
Synonyms: N-[(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]norvalyl-D-tryptophan
Smiles: CCCC(C(=O)N[C@@H](C(=O)O)Cc1c[nH]c2c1cccc2)NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)oc2c1CCCC2

STK576599
Synonyms: 2-(diethylamino)ethyl4-{[(E)-(4-hydroxy-1-methyl-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate
Smiles: CCN(CCOC(=O)c1ccc(cc1)N/C=C/1\C(=NC(=O)N(C1=O)C)O)CC

STK576601
Synonyms: (4E)-5-(2-fluorophenyl)-4-[hydroxy(4-methoxyphenyl)methylidene]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)/C(=C\1/C(c2ccccc2F)N(C(=O)C1=O)c1cccc(c1)C(F)(F)F)/O

STK576602
Synonyms: (5Z)-1-benzyl-5-[5-(4-ethoxyphenyl)pyrazolidin-3-ylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CCOc1ccc(cc1)C1NN/C(=C\2/C(=O)NC(=O)N(C2=O)Cc2ccccc2)/C1

STK576604
Synonyms: 6-methoxy-N'-[(E)-(2,3,4-trimethoxyphenyl)methylidene]-1H-indole-2-carbohydrazide
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)N/N=C/c1ccc(c(c1OC)OC)OC

STK576605
Synonyms: (4Z)-2-(4-methylphenyl)-4-[2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-ylidene]-1,3-oxazol-5(4H)-one
Smiles: COc1cc(cc(c1OC)OC)C1=C/C(=C\2/N=C(OC2=O)c2ccc(cc2)C)/c2c(O1)cccc2

STK576606
Synonyms: 3-bromo-4-(4-fluorophenyl)-4-oxobutanoicacid
Smiles: BrC(C(=O)c1ccc(cc1)F)CC(=O)O

STK576607
Synonyms: 2-(6-fluoro-1,3-benzothiazol-2-yl)-1-(3-hydroxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Oc1cccc(c1)C1N(c2nc3c(s2)cc(cc3)F)C(=O)c2c1c(=O)c1c(o2)cccc1

STK576608
Synonyms: N-{[6-chloro-8-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}-2-(2,4-dichlorophenoxy)propanamide
Smiles: O=C(C(Oc1ccc(cc1Cl)Cl)C)NCc1nnc2n1cc(Cl)cc2C(F)(F)F

STK576609
Synonyms: N'-[(E)-(5-methoxy-1H-indol-3-yl)methylidene]-4-methylbenzenesulfonohydrazide
Smiles: COc1ccc2c(c1)c(/C=N/NS(=O)(=O)c1ccc(cc1)C)c[nH]2

STK576610
Synonyms: 2-{[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl

STK576611
Synonyms: (2Z)-7-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1cccc(c1)[N+](=O)[O-])/C2=O

STK576613
Synonyms: 2-{[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Smiles: O=C(Nc1ccccc1F)CSc1nnc(n1N)c1n[nH]c(c1)C

STK576614
Synonyms: 4-[(Z)-(4-iminio-7,8-dimethyl-2-oxo-2H-pyrimido[2,1-b][1,3]benzothiazol-3(4H)-ylidene)methyl]-2-methoxyphenolate
Smiles: COc1cc(ccc1[O-])/C=C/1\C(=O)N=c2n(C1=[NH2+])c1cc(C)c(cc1s2)C

STK576615
Synonyms: 2-({4-amino-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
Smiles: O=C(Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)F

STK576616
Synonyms: 3-(benzylsulfanyl)-5-(3-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazole
Smiles: Clc1ccc(cc1)n1c(SCc2ccccc2)nnc1c1cccc(c1)Cl

STK576617
Synonyms: (2S)-N-(3-chloro-4-fluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
Smiles: O=C([C@@H](n1nnc2c(c1=O)cccc2)C)Nc1ccc(c(c1)Cl)F

STK576618
Synonyms: 2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)OC)nnc1c1ccccc1F

STK576619
Synonyms: 7-chloro-6-methyl-1-phenyl-2-(pyridin-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Cc1cc2oc3C(=O)N(C(c3c(=O)c2cc1Cl)c1ccccc1)c1ccccn1

STK576620
Synonyms: N-[4-(butan-2-yl)phenyl]-2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: CCn1c(SCC(=O)Nc2ccc(cc2)C(CC)C)nnc1COc1ccc(cc1)Cl

STK576621
Synonyms: 3-benzyl-1',3'-bis(2-methylpropyl)-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Smiles: CC(CN1C(=O)N(CC(C)C)C(=O)C2(C1=O)Cc1ccccc1N1C2CN(CC1)Cc1ccccc1)C

STK576622
Synonyms: 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)CSc1nncs1

STK576623
Synonyms: 7-(1H-benzimidazol-1-yl)-5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
Smiles: Clc1ccc(cc1)c1c(C)nn2c1nc(cc2n1cnc2c1cccc2)C(C)(C)C

STK576624
Synonyms: N-(1,3-benzodioxol-5-yl)-2-{[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccccc1c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1ccc2c(c1)OCO2

STK576626
Synonyms: 5-(3-chlorophenyl)-4-{[(E)-(3-methylthiophen-2-yl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1sccc1C

STK576627
Synonyms: (3a'S,6a'R)-5'-(butan-2-yl)-3'-(3,4-dihydroxybenzyl)-5-fluoro-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(c(c2)O)O)C(=O)Nc2c1cc(F)cc2)C

STK576629
Synonyms: 3-acetyl-8-{[(E)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)methyl]amino}-1',3'-dimethyl-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Smiles: OC1=NC(=O)/C(=C/Nc2ccc3c(c2)CC2(C4N3CCN(C4)C(=O)C)C(=O)N(C)C(=O)N(C2=O)C)/C(=N1)O

STK576630
Synonyms: 8-methyl-2-oxo-4-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-ium-1-yl}methyl)-2H-chromen-7-olate
Smiles: O=c1cc(C[NH+]2CCN(CC2)C/C=C/c2ccccc2)c2c(o1)c(C)c(cc2)[O-]

STK576631
Synonyms: 4-tert-butyl-N-[3-(4-chlorophenyl)-1-ethyl-4-oxo-1,4-dihydroquinolin-2-yl]benzamide
Smiles: CCn1c(NC(=O)c2ccc(cc2)C(C)(C)C)c(c2ccc(cc2)Cl)c(=O)c2c1cccc2

STK576633
Synonyms: (3a'S,6a'R)-5'-butyl-5-chloro-3'-(1-hydroxyethyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2C(O)C)C(=O)Nc2c1cc(Cl)cc2

STK576635
Synonyms: 5-benzyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-ol
Smiles: Clc1ccc(cc1)c1c(C)nn2c1nc(Cc1ccccc1)cc2O

STK576636
Synonyms: 4-butyl-6-chloro-2-oxo-2H-chromen-7-yltrans-4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexanecarboxylate
Smiles: CCCCc1cc(=O)oc2c1cc(Cl)c(c2)OC(=O)[C@@H]1CC[C@H](CC1)CNC(=O)OCc1ccccc1

STK576637
Synonyms: 1-tert-butyl4-(6-chloro-3,4-dimethyl-2-oxo-2H-chromen-7-yl)piperidine-1,4-dicarboxylate
Smiles: O=C(C1CCN(CC1)C(=O)OC(C)(C)C)Oc1cc2oc(=O)c(c(c2cc1Cl)C)C

STK576640
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(3,4-dichlorophenyl)ethylidene]-5-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: CCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C(/c1ccc(c(c1)Cl)Cl)\C

STK576642
Synonyms: 3,4-dimethyl-9-(pyridin-2-ylmethyl)-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-2-one
Smiles: O=c1oc2c3CN(COc3ccc2c(c1C)C)Cc1ccccn1

STK576643
Synonyms: N-{[(3S)-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonyl}-D-valine
Smiles: CC([C@H](C(=O)O)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C

STK576646
Synonyms: N-(4-ethoxyphenyl)-2-{[2-(3-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nc(nc2c1COC(C2)(C)C)c1cccc(c1)OC

STK576647
Synonyms: 3-{[(E)-(2-chlorophenyl)methylidene]amino}-2-hydroxy-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: COc1ccc2c(c1)[nH]c1c2nc(n(c1=O)/N=C/c1ccccc1Cl)O

STK576648
Synonyms: 3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-2-yltrans-4-{[(tert-butoxycarbonyl)amino]methyl}cyclohexanecarboxylate
Smiles: O=C(OC(C)(C)C)NC[C@@H]1CC[C@H](CC1)C(=O)Oc1cc2c(cc1C)oc(=O)c1c2CCCC1

STK576650
Synonyms: 2-(3-tert-butyl-4,9-dimethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl)-N-(2-methoxyethyl)acetamide
Smiles: COCCNC(=O)Cc1c(=O)oc2c(c1C)c1occ(c1c(c2)C)C(C)(C)C

STK576651
Synonyms: 2-{[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(3-nitrophenyl)ethanone
Smiles: Clc1ccc(c(c1)Cl)c1nnc(o1)SCC(=O)c1cccc(c1)[N+](=O)[O-]

STK576652
Synonyms: (3a'S,6a'R)-5'-tert-butyl-5-fluoro-3'-(1H-indol-3-ylmethyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Fc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)C(C)(C)C)Cc1c[nH]c3c1cccc3)C(=O)N2

STK576653
Synonyms: 6-(3-methoxybenzyl)-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-5(6H)-one
Smiles: COc1cccc(c1)Cn1c2ccccc2c2c1c(=O)n1c(n2)SCC1

STK576654
Synonyms: (3S)-N-[(2S)-4-(methylsulfanyl)-1-oxo-1-(propylamino)butan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: CSCC[C@@H](C(=O)NCCC)NC(=O)[C@H]1NCc2c(C1)cccc2

STK576655
Synonyms: N-[(2Z)-3-(2-methoxyphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]cyclopropanecarboxamide
Smiles: COc1ccccc1N1/C(=N/C(=O)C2CC2)/SC2C1CS(=O)(=O)C2

STK576656
Synonyms: N-[4-(acetylamino)phenyl]-2-{[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)c1nnc(n1Cc1ccco1)SCC(=O)Nc1ccc(cc1)NC(=O)C

STK576657
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[2-(propan-2-yl)phenyl]acetamide
Smiles: O=C(Nc1ccccc1C(C)C)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)Cl

STK576658
Synonyms: 1-(4-chlorophenyl)-6-(4-methoxybenzyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: COc1ccc(cc1)CN1CNc2c(C1)c(=O)nc(n2c1ccc(cc1)Cl)S

STK576660
Synonyms: 4-[(2E)-2-(2-methoxybenzylidene)hydrazinyl]-5-phenylthieno[2,3-d]pyrimidine
Smiles: COc1ccccc1/C=N/Nc1ncnc2c1c(cs2)c1ccccc1

STK576661
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(2,5-dimethoxyphenyl)carbonyl]-2'-[(4-methoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2cc(OC)ccc2OC)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK576662
Synonyms: 2-({4-amino-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[2-methyl-6-(propan-2-yl)phenyl]acetamide
Smiles: O=C(Nc1c(C)cccc1C(C)C)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)F

STK576663
Synonyms: 2-{[4-(4-chlorophenyl)-3-cyano-5-hydroxy-7,7-dimethyl-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2c(C)cc(cc2C)C)N=C2C(=C(O)CC(C2)(C)C)C1c1ccc(cc1)Cl

STK576664
Synonyms: N-cyclopentyl-N~2~-{[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbonyl}-L-valinamide
Smiles: COc1ccc(cc1)N1CC(CC1=O)C(=O)N[C@H](C(=O)NC1CCCC1)C(C)C

STK576666
Synonyms: N-(2,4-difluorophenyl)-2-(4-oxoquinazolin-3(4H)-yl)butanamide
Smiles: CCC(n1cnc2c(c1=O)cccc2)C(=O)Nc1ccc(cc1F)F

STK576667
Synonyms: methyl3-[8-(2-methoxyphenyl)-1,6,7-trimethyl-2,4-dioxo-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl]propanoate
Smiles: COC(=O)CCn1c(=O)c2c(n(c1=O)C)nc1n2c(C)c(n1c1ccccc1OC)C

STK576668
Synonyms: 9-(3,5-difluorophenyl)-6-(furan-2-yl)-2-methyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: Fc1cc(F)cc(c1)C1C2=C(O)CC(CC2=Nc2n1nc(n2)C)c1ccco1

STK576669
Synonyms: 9-(3,4-dimethoxyphenyl)-6,6-dimethyl-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: CSc1nc2n(n1)C(c1ccc(c(c1)OC)OC)C1=C(O)CC(CC1=N2)(C)C

STK576670
Synonyms: 3-[(4-tert-butylbenzyl)sulfanyl]-5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazole
Smiles: Clc1cccc(c1)c1nnc(n1c1ccccc1)SCc1ccc(cc1)C(C)(C)C

STK576671
Synonyms: 5-{4-[(2-chlorobenzyl)oxy]phenyl}-N'-[(1E,2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-1H-pyrazole-3-carbohydrazide
Smiles: COc1ccccc1/C=C/C=N/NC(=O)c1n[nH]c(c1)c1ccc(cc1)OCc1ccccc1Cl

STK576673
Synonyms: 3-(3-bromo-4-fluorophenyl)-5-(2-ethoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCOc1ccccc1N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(c(c1)Br)F

STK576676
Synonyms: N-(2,4-dichlorophenyl)-2-[(2-oxo-2H-chromen-7-yl)oxy]acetamide
Smiles: O=C(Nc1ccc(cc1Cl)Cl)COc1ccc2c(c1)oc(=O)cc2

STK576679
Synonyms: (5E)-5-(1-{[4-(diethylamino)phenyl]amino}ethylidene)-6-hydroxy-3-(4-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: CCN(c1ccc(cc1)N/C(=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)C)O)/C)CC

STK576680
Synonyms: 3-{3-[(E)-(2-cyclopropyl-5-iminio-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}phenolate
Smiles: [O-]c1cccc(c1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=[NH2+])nc(s2)C1CC1

STK576681
Synonyms: (3a'S,6a'R)-5-fluoro-3'-(4-hydroxybenzyl)-5'-(2-methoxyethyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: COCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(cc2)O)C(=O)Nc2c1cc(F)cc2

STK576682
Synonyms: methyl4-[({[5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)C

STK576683
Synonyms: (5Z)-2-[(2,3-dichlorophenyl)amino]-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C\C=C\c1ccco1)Nc1cccc(c1Cl)Cl

STK576686
Synonyms: 4-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-N-(4-phenoxyphenyl)benzamide
Smiles: O=C(c1ccc(cc1)N1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1)Nc1ccc(cc1)Oc1ccccc1

STK576687
Synonyms: 8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-7-(3-hydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCCn1c(CN2CCN(CC2)C(c2ccccc2)c2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK576689
Synonyms: 3-{(Z)-[3-(3-methylbutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-phenylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CC(CCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCN(CC2)c2ccccc2)/C1=O)C

STK576690
Synonyms: 2-({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methoxy-5-methylphenyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1COc1ccc(cc1)Cl

STK576691
Synonyms: 2,2,5-trimethyl-8-(4-methylpiperazin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine
Smiles: CN1CCN(CC1)c1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C

STK576692
Synonyms: 10,10-dimethyl-2-(pyridin-2-yl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: CC1(C)OCc2c(C1)c1c(s2)ncn2c1nc(n2)c1ccccn1

STK576693
Synonyms: methylN-[(3-methylphenyl)carbamoyl]-D-valinate
Smiles: COC(=O)[C@@H](C(C)C)NC(=O)Nc1cccc(c1)C

STK576694
Synonyms: 8-[4-(3-chlorobenzyl)piperazin-1-yl]-6-hydroxy-3-methyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: CC(=C)Cn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)Cc1cccc(c1)Cl

STK576696
Synonyms: (E)-2,3-dihydro-1,4-benzodioxin-6-yl{1'-[3-(dimethylammonio)propyl]-2,4',5'-trioxo-1-propyl-1,2-dihydro-3'H-spiro[indole-3,2'-pyrrolidin]-3'-ylidene}methanolate
Smiles: CCCN1c2ccccc2C2(C1=O)/C(=C(/c1ccc3c(c1)OCCO3)\[O-])/C(=O)C(=O)N2CCC[NH+](C)C

STK576697
Synonyms: 3-{(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}quinazolin-4(3H)-one
Smiles: CC([C@H](n1cnc2c(c1=O)cccc2)C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)C

STK576698
Synonyms: 3-[(3a'S,6a'R)-6-chloro-5'-(4-chlorophenyl)-7-methyl-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanamide
Smiles: NC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc(cc1)Cl)C(=O)Nc1c2ccc(c1C)Cl

STK576699
Synonyms: 7-(2-fluorobenzyl)-6-hydroxy-3-methyl-8-[4-(2-methylpropyl)piperazin-1-yl]-3,7-dihydro-2H-purin-2-one
Smiles: CC(CN1CCN(CC1)c1nc2c(n1Cc1ccccc1F)c(O)nc(=O)n2C)C

STK576700
Synonyms: 4-[4-(4-chlorobenzyl)piperazin-1-yl]-2-phenyl[1]benzofuro[3,2-d]pyrimidine
Smiles: Clc1ccc(cc1)CN1CCN(CC1)c1nc(nc2c1oc1c2cccc1)c1ccccc1

STK576701
Synonyms: 2-({4-amino-5-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-chloro-2-methylphenyl)acetamide
Smiles: COc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1ccc(cc1C)Cl

STK576702
Synonyms: N-[4-(4-chlorophenyl)-6-methyl-2-(4-methylphenyl)-5-oxo-2,5-dihydropyridazin-3-yl]-2-methylbenzamide
Smiles: Cc1ccc(cc1)n1nc(C)c(=O)c(c1NC(=O)c1ccccc1C)c1ccc(cc1)Cl

STK576703
Synonyms: 3-benzyl-2',6'-dihydroxy-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one
Smiles: OC1=NC(=O)C2(C(=N1)O)Cc1cc(ccc1N1C2CN(CC1)Cc1ccccc1)[N+](=O)[O-]

STK576705
Synonyms: 8-[(4-benzylpiperidin-1-yl)methyl]-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccccc1Cn1c(CN2CCC(CC2)Cc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK576708
Synonyms: (2'S,3S,3'S,10b'R)-3'-[(2-chlorophenyl)carbonyl]-2'-[(2-ethoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: CCOc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2Cl)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK576709
Synonyms: 5-phenyl-4-{(2E)-2-[(1-phenyl-1H-pyrrol-2-yl)methylidene]hydrazinyl}thieno[2,3-d]pyrimidine
Smiles: c1ccc(cc1)n1cccc1/C=N/Nc1ncnc2c1c(cs2)c1ccccc1

STK576710
Synonyms: (4E)-1-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-(3-chlorophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione
Smiles: Clc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK576711
Synonyms: 6-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-N-(2-phenylethyl)hexanamide
Smiles: O=C(NCCc1ccccc1)CCCCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK576712
Synonyms: 7-(3-chlorophenyl)-2-(4-chlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Clc1ccc(cc1)c1nc2n(n1)cnc1c2cnn1c1cccc(c1)Cl

STK576713
Synonyms: 1-(2,3-dimethylphenyl)-6-(3-phenylpropyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Smiles: Sc1nc(=O)c2c(n1c1cccc(c1C)C)NCN(C2)CCCc1ccccc1

STK576714
Synonyms: 5-(3-chlorophenyl)-4-{[(E)-(5-methylthiophen-2-yl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(s1)C

STK576716
Synonyms: 4-nitro-N-(4-oxo-3-phenyl-4H-thiochromen-2-yl)benzamide
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])Nc1sc2ccccc2c(=O)c1c1ccccc1

STK576718
Synonyms: 4-[(2E)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoicacid
Smiles: OC(=O)c1ccc(cc1)N/N=C/c1ccnc2c1cccc2

STK576719
Synonyms: 6-chloro-2-oxo-4-propyl-2H-chromen-7-yl{[(4-methylphenyl)sulfonyl]amino}(phenyl)acetate
Smiles: CCCc1cc(=O)oc2c1cc(Cl)c(c2)OC(=O)C(c1ccccc1)NS(=O)(=O)c1ccc(cc1)C

STK576720
Synonyms: (6Z)-6-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-7-imino-2-methyl-6,7-dihydro-5H-[1,2]oxazolo[2,3-a]pyrimidin-5-one
Smiles: Cc1on2c(=NC(=O)/C(=C\c3cc(n(c3C)c3ccc4c(c3)OCO4)C)/C2=N)c1

STK576722
Synonyms: (4E)-4-[furan-2-yl(hydroxy)methylidene]-1-[2-(2-hydroxyethoxy)ethyl]-5-(pyridin-2-yl)pyrrolidine-2,3-dione
Smiles: OCCOCCN1C(c2ccccn2)/C(=C(/c2ccco2)\O)/C(=O)C1=O

STK576723
Synonyms: 3-[(3a'S,6a'R)-5'-(3-bromophenyl)-6-chloro-7-methyl-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanamide
Smiles: NC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)c1cccc(c1)Br)C(=O)Nc1c2ccc(c1C)Cl

STK576724
Synonyms: 4-{[(E)-(4-nitrophenyl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)[N+](=O)[O-]

STK576725
Synonyms: 3-(4-chlorophenyl)-4-phenyl-N-(pyridin-2-ylmethyl)butan-1-amine
Smiles: Clc1ccc(cc1)C(Cc1ccccc1)CCNCc1ccccn1

STK576727
Synonyms: 8-[(2E)-2-(2-chlorobenzylidene)hydrazinyl]-7-(4-fluorobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: Fc1ccc(cc1)Cn1c(N/N=C/c2ccccc2Cl)nc2c1c(O)nc(=O)n2C

STK576728
Synonyms: ethyl4-[(3a'S,6a'R)-5-chloro-3'-(1H-indol-3-ylmethyl)-2,4',6'-trioxo-1,2,2',3',3a',4',6',6a'-octahydro-5'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2c[nH]c3c2cccc3)C(=O)Nc2c1cc(Cl)cc2

STK576729
Synonyms: 6-(4-fluorophenyl)-9-(2,3,4-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: COc1ccc(c(c1OC)OC)C1C2=C(O)CC(CC2=Nc2n1ncn2)c1ccc(cc1)F

STK576730
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nnc(n1C)c1cccc(c1)Cl)C

STK576731
Synonyms: 5-fluoro-N,N-bis(2-methoxyethyl)-1H-indole-2-carboxamide
Smiles: COCCN(C(=O)c1cc2c([nH]1)ccc(c2)F)CCOC

STK576732
Synonyms: (2Z,5Z)-2-[(4-hydroxyphenyl)imino]-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2,5-dihydro-1,3-thiazol-4-ol
Smiles: Oc1ccc(cc1)/N=C/1\S/C(=C\C=C\c2ccccc2)/C(=N1)O

STK576733
Synonyms: 10-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
Smiles: COc1ccc(cc1)c1n2CCOC(c2c2c1c(=O)n(C)c(=O)n2C)c1cc(OC)c(c(c1)OC)O

STK576734
Synonyms: (4E)-4-{[(3-chloro-4-methoxyphenyl)amino]methylidene}-2-(6-methylpyridin-2-yl)isoquinoline-1,3(2H,4H)-dione
Smiles: COc1ccc(cc1Cl)N/C=C\1/C(=O)N(c2cccc(n2)C)C(=O)c2c1cccc2

STK576737
Synonyms: (5Z)-5-[5-(4-chlorophenyl)pyrazolidin-3-ylidene]-1-(2-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccccc1N1C(=O)NC(=O)/C(=C\2/NNC(C2)c2ccc(cc2)Cl)/C1=O

STK576743
Synonyms: (3R)-N-[(2S)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]-2,2-dimethyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Smiles: CC(C[C@@H](C(=O)NC1CCCCC1)NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)C

STK576744
Synonyms: 2-{[4-(4-chlorophenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Smiles: Clc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1c1ccccn1

STK576745
Synonyms: 8-(4-butylphenyl)-3-(2-ethoxyethyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Smiles: CCCCc1ccc(cc1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)CCOCC

STK576747
Synonyms: 6-[(E)-(1,3-dihydro-2H-benzimidazol-2-ylidenehydrazinylidene)methyl]quinoline
Smiles: N(=C\c1ccc2c(c1)cccn2)/N=c/1\[nH]c2c([nH]1)cccc2

STK576750
Synonyms: (2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-oxo-2-[(2E)-3-phenylprop-2-en-1-ylidene]-2,3-dihydro-1-benzofuran-6-olate
Smiles: CCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\C=C\c1ccccc1)/C2=O

STK576752
Synonyms: N-[2-(2-hydroxyethoxy)ethyl]-5,10-dimethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide
Smiles: OCCOCCNC(=O)c1nn2c(n1)c1c(nc2C)sc2c1CC(C)CC2

STK576754
Synonyms: 4-butyl-N-[(2E)-5-(ethylsulfonyl)-1,3,4-thiadiazol-2(3H)-ylidene]cyclohexanecarboxamide
Smiles: CCCCC1CCC(CC1)C(=O)/N=c/1\[nH]nc(s1)S(=O)(=O)CC

STK576755
Synonyms: 2-chloro-7-methoxy-3-{(E)-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl}quinoline
Smiles: COc1ccc2c(c1)nc(c(c2)/C=N/Nc1ncnc2c1c(cs2)c1ccccc1)Cl

STK576756
Synonyms: 2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: COc1cccc(c1)C1N(c2sc3c(n2)c(C)cc(c3)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK576758
Synonyms: 4-(5-hydroxy-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-6-yl)-2-methoxyphenylacetate
Smiles: COc1cc(ccc1OC(=O)C)C1Sc2ccccc2N=C2C1=C(O)c1c2cccc1

STK576759
Synonyms: 3-(4-methylphenyl)-5-propyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-ylbutanoate
Smiles: CCCC(=O)Oc1cn(c2c1c1nc3c(n1c(n2)CCC)cccc3)c1ccc(cc1)C

STK576760
Synonyms: (3E)-3-[(5-bromofuran-2-yl)methylidene]-4-imino-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one
Smiles: Brc1ccc(o1)/C=C\1/C(=O)N=c2n(C1=N)c1ccccc1s2

STK576761
Synonyms: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-1H-indole-2-carboxamide
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)Nc1ccc2c(c1)OCCO2

STK576762
Synonyms: N-[(1Z)-1-{1-cyano-2-[(2-methoxyethyl)amino]-2-oxoethylidene}-1H-isoindol-3-yl]-4-methoxybenzamide
Smiles: COCCNC(=O)/C(=C/1\N=C(c2c1cccc2)NC(=O)c1ccc(cc1)OC)/C#N

STK576763
Synonyms: 3,4,7-trimethyl-2-oxo-2H-chromen-5-ylN-[(benzyloxy)carbonyl]-L-leucinate
Smiles: CC(C[C@@H](C(=O)Oc1cc(C)cc2c1c(C)c(c(=O)o2)C)NC(=O)OCc1ccccc1)C

STK576764
Synonyms: 5-(3-methylphenyl)-4-{[(E)-(3-methylthiophen-2-yl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Cc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1sccc1C

STK576765
Synonyms: N-[4-(diethylamino)phenyl]-2-{[5-(3-methylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCN(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)C)CC

STK576766
Synonyms: N-(5-chloro-2-methoxyphenyl)-2-hydroxy-5-oxo-7-phenyl-3,4,5,6,7,8-hexahydroquinoline-4-carboxamide
Smiles: COc1ccc(cc1NC(=O)C1CC(=NC2=C1C(=O)CC(C2)c1ccccc1)O)Cl

STK576767
Synonyms: N-(5-chloro-2-methylphenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1COc1ccc(cc1)Cl

STK576768
Synonyms: (3a'S,6a'R)-5'-butyl-7-chloro-3'-[2-(methylsulfanyl)ethyl]-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CSCCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)CCCC)C(=O)Nc1c2cccc1Cl

STK576769
Synonyms: 2-[4-(diphenylmethyl)piperazin-1-yl]-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-4-ol
Smiles: Oc1cc(CSc2ccc(cc2)C)nc(n1)N1CCN(CC1)C(c1ccccc1)c1ccccc1

STK576770
Synonyms: 5-(4-ethoxyphenyl)-4-{[(1E,2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1ccc(cc1)c1n[nH]c(=S)n1/N=C/C=C/c1ccccc1OC

STK576772
Synonyms: (3Z)-4-imino-3-(1H-indol-3-ylmethylidene)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one
Smiles: O=C1N=c2sc3c(n2C(=N)/C/1=C/c1c[nH]c2c1cccc2)cccc3

STK576773
Synonyms: 6-chloro-4-ethyl-9-[2-methyl-6-(propan-2-yl)phenyl]-9,10-dihydro-2H,8H-chromeno[8,7-e][1,3]oxazin-2-one
Smiles: CCc1cc(=O)oc2c1cc(Cl)c1c2CN(CO1)c1c(C)cccc1C(C)C

STK576775
Synonyms: 4-[(2-{[(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]amino}butanoyl)amino]butanoicacid
Smiles: CCC(C(=O)NCCCC(=O)O)NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C

STK576776
Synonyms: 6,7-dimethoxy-2-(4-nitrobenzyl)-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc2CN(CCc2cc1OC)Cc1ccc(cc1)[N+](=O)[O-]

STK576777
Synonyms: 6-(2-chlorobenzyl)-9-methyl-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-5(6H)-one
Smiles: Cc1ccc2c(c1)c1nc3SCCn3c(=O)c1n2Cc1ccccc1Cl

STK576778
Synonyms: (3S,3'S,3a'R,6a'S)-5-chloro-3'-(3,4-dihydroxybenzyl)-5'-(tetrahydrofuran-2-ylmethyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Clc1ccc2c(c1)[C@]1(N[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)CC1CCCO1)Cc1ccc(c(c1)O)O)C(=O)N2

STK576779
Synonyms: 3-(2-chloro-6-fluorobenzyl)-8-(3-methoxypropyl)-1,6,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COCCCn1c(C)c(n2c1nc1c2c(=O)n(c(=O)n1C)Cc1c(F)cccc1Cl)C

STK576780
Synonyms: (3S)-N-{(2S)-4-methyl-1-[(3-methylphenyl)amino]-1-oxopentan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: CC(C[C@@H](C(=O)Nc1cccc(c1)C)NC(=O)[C@H]1NCc2c(C1)cccc2)C

STK576786
Synonyms: N-[(2-hydroxyquinolin-4-yl)methyl]-N-(2-methoxyphenyl)-3-nitrobenzamide
Smiles: COc1ccccc1N(C(=O)c1cccc(c1)[N+](=O)[O-])Cc1cc(O)nc2c1cccc2

STK576787
Synonyms: N-[(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]glycyl-D-valyl-S-benzyl-D-cysteine
Smiles: O=C(N[C@@H](C(=O)N[C@@H](C(=O)O)CSCc1ccccc1)C(C)C)CNC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C

STK576788
Synonyms: N-(2-bromophenyl)-2-{[5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1Br)CSc1nnc(n1c1ccccc1)c1cccc(c1)Cl

STK576789
Synonyms: N'-[(E)-(2-hydroxyphenyl)methylidene]-4,5,6-trimethoxy-1H-indole-2-carbohydrazide
Smiles: COc1cc2[nH]c(cc2c(c1OC)OC)C(=O)N/N=C/c1ccccc1O

STK576790
Synonyms: (1'R,2'R)-1'-[(3-methoxyphenyl)carbonyl]-7'-methyl-2'-phenyl-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione
Smiles: COc1cccc(c1)C(=O)[C@@H]1N2c3ccc(cc3C=CC2[C@@]2([C@H]1c1ccccc1)C(=O)c1c(C2=O)cccc1)C

STK576791
Synonyms: (2'S,3S,3'S,10b'R)-2'-[(4-fluorophenyl)carbonyl]-3'-[(3-methoxyphenyl)carbonyl]-2',3'-dihydro-10b'H-spiro[indole-3,1'-pyrrolo[2,1-a]isoquinolin]-2(1H)-one
Smiles: COc1cccc(c1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1)F)C(=O)Nc1c2cccc1)cccc3

STK576792
Synonyms: 8-(4-fluorophenyl)-9-(5-methyl-1,2-oxazol-3-yl)-8,9-dihydrobenzo[7,8]chromeno[2,3-c]pyrrole-7,10-dione
Smiles: Fc1ccc(cc1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)c2ccccc2cc1

STK576793
Synonyms: 1'-[2-(3,4-dimethoxyphenyl)ethyl]-2'-hydroxy-12-methyl-15,16-dihydro-4'H,4bH,6H,7H-spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1-a]isoquinoline-5,5'-pyrimidine]-4',6',7(1'H)-trione
Smiles: COc1ccc(cc1OC)CCN1C(=NC(=O)C2(C1=O)Cc1c(N3C2c2ccccc2CC3)nc2n(c1=O)cccc2C)O

STK576794
Synonyms: 2-[(3-chlorobenzyl)amino]-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Smiles: Clc1cccc(c1)CNc1nc2n(n1)c(O)c(c(n2)C)C

STK576795
Synonyms: 3-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[4-(2-fluorophenyl)piperazin-1-yl]-4H-pyrido[1,2-a]pyrimidin-4-one
Smiles: CCC(N1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCN(CC2)c2ccccc2F)/C1=O)C

STK576796
Synonyms: 8-(4-benzylpiperidin-1-yl)-7-(4-chlorobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: Clc1ccc(cc1)Cn1c(nc2c1c(O)nc(=O)n2C)N1CCC(CC1)Cc1ccccc1

STK576797
Synonyms: tert-butyl[(1S)-1-{5-[(2,5-dimethylbenzyl)sulfonyl]-1,3,4-oxadiazol-2-yl}-2-methylpropyl]carbamate
Smiles: O=C(OC(C)(C)C)N[C@H](c1nnc(o1)S(=O)(=O)Cc1cc(C)ccc1C)C(C)C

STK576798
Synonyms: 3-(3-chlorophenyl)-7-methyl-2-(piperidin-1-yl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c(n1)N1CCCCC1)c1cccc(c1)Cl

STK576799
Synonyms: 2-{(2E)-[3-(naphthalen-1-ylmethoxy)benzylidene]hydrazinylidene}-2,3-dihydro-1H-benzimidazole
Smiles: c1cc(/C=N/N=c/2\[nH]c3c([nH]2)cccc3)cc(c1)OCc1cccc2c1cccc2

STK576800
Synonyms: 5-{[4-(dimethylamino)-2-oxo-3-phenyl-2,3-dihydro-1,3-thiazol-5-yl]methylidene}-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: CN(c1c(C=C2C(=O)N(C)C(=O)N(C2=O)C)sc(=O)n1c1ccccc1)C

STK576803
Synonyms: (3R,3'S,3a'S,6a'R)-3',5'-dibenzyl-6-chloro-7-methyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: Clc1ccc2c(c1C)NC(=O)[C@@]12N[C@H]([C@@H]2[C@H]1C(=O)N(C2=O)Cc1ccccc1)Cc1ccccc1

STK576804
Synonyms: methylN-({4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}carbamoyl)-L-leucinate
Smiles: COC(=O)[C@@H](NC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C)CC(C)C

STK576805
Synonyms: 7-bromo-2-(furan-2-ylmethyl)-1-(pyridin-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
Smiles: Brc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1cccnc1)Cc1ccco1

STK576806
Synonyms: 3-(3-chlorophenyl)-5-[(2,6-difluorobenzyl)sulfanyl]-4-(furan-2-ylmethyl)-4H-1,2,4-triazole
Smiles: Clc1cccc(c1)c1nnc(n1Cc1ccco1)SCc1c(F)cccc1F

STK576807
Synonyms: N,N-diethyl-2-(10-methoxy-6-oxo-3,4-dihydro-2H-[1,3]thiazino[3',2':1,2]pyrimido[5,4-b]indol-7(6H)-yl)acetamide
Smiles: CCN(C(=O)Cn1c2ccc(cc2c2c1c(=O)n1CCCSc1n2)OC)CC

STK576808
Synonyms: 2,2-dimethyl-N-[3-(morpholin-4-yl)propyl]-5-propyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-amine
Smiles: CCCc1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3NCCCN1CCOCC1

STK576810
Synonyms: 5-(biphenyl-4-yl)-7-(2,6-dichlorophenyl)-3,7-dihydrotetrazolo[1,5-a]pyrimidine
Smiles: Clc1cccc(c1C1C=C(N=c2n1nn[nH]2)c1ccc(cc1)c1ccccc1)Cl

STK576811
Synonyms: 4-[(2E)-2-(4-chlorobenzylidene)hydrazinyl]-5-phenylthieno[2,3-d]pyrimidine
Smiles: Clc1ccc(cc1)/C=N/Nc1ncnc2c1c(cs2)c1ccccc1

STK576812
Synonyms: 2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1nccnc1

STK576814
Synonyms: N'-(7-benzyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N,N-dimethylpropane-1,3-diamine
Smiles: CN(CCCNc1ncnc2c1c(C)c(n2Cc1ccccc1)C)C

STK576817
Synonyms: (3S,3'S,3a'R,6a'S)-7-chloro-3'-(propan-2-yl)-5'-(tetrahydrofuran-2-ylmethyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: CC([C@@H]1N[C@]2([C@@H]3[C@H]1C(=O)N(C3=O)CC1CCCO1)C(=O)Nc1c2cccc1Cl)C

STK576818
Synonyms: N-[(2E)-3-(1,3-benzodioxol-5-yl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]cyclohexanecarboxamide
Smiles: O=C(C1CCCCC1)/N=C\1/SC2C(N1c1ccc3c(c1)OCO3)CS(=O)(=O)C2

STK576819
Synonyms: 6-butyl-10-methyl-3-[2-(morpholin-4-yl)ethyl]-3,4-dihydro-2H,8H-chromeno[6,7-e][1,3]oxazin-8-one
Smiles: CCCCc1cc(=O)oc2c1cc1CN(CCN3CCOCC3)COc1c2C

STK576820
Synonyms: 3-{[4-(azepan-1-ylcarbonyl)cyclohexyl]methyl}-1,2,3-benzotriazin-4(3H)-one
Smiles: O=C(N1CCCCCC1)C1CCC(CC1)Cn1nnc2c(c1=O)cccc2

STK576821
Synonyms: 9-(2-chlorophenyl)-6-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: COc1ccc(cc1)C1CC(=C2C(=Nc3n(C2c2ccccc2Cl)ncn3)C1)O

STK576822
Synonyms: (4E)-1-hexyl-4-[hydroxy(4-methylphenyl)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione
Smiles: CCCCCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)C)/O)/C1c1ccc(cc1)C

STK576824
Synonyms: 8-[(2-ethylpiperidin-1-yl)methyl]-1,3-dimethyl-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCC1CCCCN1Cc1nc2c(n1C(C(=O)C)C)c(=O)n(c(=O)n2C)C

STK576825
Synonyms: ethyl4-[3-(3-cyano-4-imino-6,7,11,12-tetrahydro-4H,10H-[1,4]dioxepino[2,3-g]pyrido[2,1-a]isoquinolin-2-yl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)c1cc2c3cc4OCCCOc4cc3CCn2c(=N)c1C#N

STK576826
Synonyms: methylN-[(6-methoxy-1H-indol-2-yl)carbonyl]glycinate
Smiles: COC(=O)CNC(=O)c1[nH]c2c(c1)ccc(c2)OC

STK576828
Synonyms: 4-(4-methoxyphenyl)-N-{4-[(2Z)-1,3,4-thiadiazol-2(3H)-ylidenecarbamoyl]phenyl}tetrahydro-2H-pyran-4-carboxamide
Smiles: COc1ccc(cc1)C1(CCOCC1)C(=O)Nc1ccc(cc1)C(=O)/N=c/1\scn[nH]1

STK576829
Synonyms: 2-({4-amino-5-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(morpholin-4-yl)ethanone
Smiles: Clc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)N1CCOCC1

STK576831
Synonyms: 8-bromo-4-(piperidin-1-yl)[1]benzofuro[3,2-d]pyrimidine
Smiles: Brc1ccc2c(c1)c1ncnc(c1o2)N1CCCCC1

STK576832
Synonyms: N-[(2Z)-3-(2-fluorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]propanamide
Smiles: CCC(=O)/N=C/1\SC2C(N1c1ccccc1F)CS(=O)(=O)C2

STK576835
Synonyms: 1-hydroxy-9-oxo-9H-xanthen-3-ylN-[(benzyloxy)carbonyl]norvalinate
Smiles: CCCC(C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1)NC(=O)OCc1ccccc1

STK576837
Synonyms: 3,7-bis(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
Smiles: Cc1ccc(cc1)C1=NOC2(C1)CC(=O)N(C2=O)c1ccc(cc1)C

STK576838
Synonyms: 4-{[(1E,2E)-3-(furan-2-yl)-2-methylprop-2-en-1-ylidene]amino}-5-(2-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: C/C(=C\c1ccco1)/C=N/n1c(=S)[nH]nc1c1ccccc1C

STK576839
Synonyms: 2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]-N-(3-methoxypropyl)propanamide
Smiles: COCCCNC(=O)C(Oc1cc(C)cc2c1c(C)c(c(=O)o2)Cc1ccccc1)C

STK576840
Synonyms: N-(2,3-dimethylphenyl)-2-{[4-(furan-2-ylmethyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1C)C)CSc1nnc(n1Cc1ccco1)COc1ccccc1

STK576841
Synonyms: 2-{[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-[(2E)-4-methyl-1,3-thiazol-2(3H)-ylidene]acetamide
Smiles: Oc1ccc(cc1)c1nnc(o1)SCC(=O)/N=c\1/scc([nH]1)C

STK576842
Synonyms: N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-N'-(2,4-dimethoxyphenyl)ethanediamide
Smiles: COc1cc(OC)ccc1NC(=O)C(=O)NCC1COc2c(O1)cccc2

STK576844
Synonyms: 7-(4-methoxybenzyl)-8-(morpholin-4-yl)-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one
Smiles: COc1ccc(cc1)Cc1c(nc2n(c1=O)CCCS2)N1CCOCC1

STK576845
Synonyms: 1-benzyl-N-(2-methylphenyl)-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
Smiles: Cc1ccccc1NC(=O)c1cc2c(n1Cc1ccccc1)nc1n(c2=O)cccc1

STK576846
Synonyms: 2-[(3,4-dimethylphenyl)sulfonyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Smiles: COc1cc2CCN(Cc2cc1OC)S(=O)(=O)c1ccc(c(c1)C)C

STK576848
Synonyms: 2-(benzylsulfanyl)-9-(3,4-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
Smiles: COc1cc(ccc1OC)C1C2=C(O)CCCC2=Nc2n1nc(n2)SCc1ccccc1

STK576849
Synonyms: 4-[(2E)-2-(3,4-dimethoxybenzylidene)hydrazinyl]-5-phenylthieno[2,3-d]pyrimidine
Smiles: COc1cc(/C=N/Nc2ncnc3c2c(cs3)c2ccccc2)ccc1OC

STK576850
Synonyms: N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[(6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]acetamide
Smiles: O=C(COc1ccc2c(c1)oc(=O)c1c2CCCC1)NCCCN1CCCC1=O

STK576855
Synonyms: 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2-methoxyphenyl)ethanone
Smiles: COc1ccccc1C(=O)CSc1nnc(n1C)c1cccc(c1)Cl

STK576856
Synonyms: 4-({S-benzyl-N-[(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]-L-cysteinyl}amino)butanoicacid
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C)N[C@H](C(=O)NCCCC(=O)O)CSCc1ccccc1

STK576859
Synonyms: (4E)-1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-ethoxy-4-(pentyloxy)phenyl]pyrrolidine-2,3-dione
Smiles: CCCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)C

STK576860
Synonyms: N-[2-(furan-2-yl)-5-hydroxy[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]hexanamide
Smiles: CCCCCC(=O)Nc1cc(O)nc2n1nc(n2)c1ccco1

STK576861
Synonyms: N-[(2Z)-3-(2-fluorophenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-3-methylbutanamide
Smiles: CC(CC(=O)/N=C/1\SC2C(N1c1ccccc1F)CS(=O)(=O)C2)C

STK576862
Synonyms: 2,2'-{[4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-7-yl]imino}diethanol
Smiles: OCCN(c1ncnc2c1oc1c2c2CCCc2c(n1)CC(C)C)CCO

STK576863
Synonyms: 1-(4-chlorophenyl)-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: Clc1ccc(cc1)C(=O)CSc1nnc(n1C)c1cccc(c1)Cl

STK576864
Synonyms: 3-[(5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]furo[2,3-c]isoquinolin-8-yl)amino]propan-1-ol
Smiles: CCCc1nc2oc3c(c2c2c1CCCC2)ncnc3NCCCO

STK576865
Synonyms: N'-{(1E)-1-[4-hydroxy-1-(2-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]ethyl}heptanehydrazide
Smiles: CCCCCCC(=O)NN/C(=C/1\C(=NC(=O)N(C1=O)c1ccccc1C)O)/C

STK576866
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-methoxyphenyl)-1H-1,2,3-triazole-4-carboxylicacid
Smiles: COc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)O

STK576867
Synonyms: 5-bromo-N-[(2E)-4-chloro-1,3-benzothiazol-2(3H)-ylidene]furan-2-carboxamide
Smiles: Brc1ccc(o1)C(=O)/N=c\1/sc2c([nH]1)c(Cl)ccc2

STK576868
Synonyms: (3S)-N-{(2S)-1-[(4-ethylphenyl)amino]-3-methyl-1-oxobutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Smiles: CCc1ccc(cc1)NC(=O)[C@H](C(C)C)NC(=O)[C@H]1NCc2c(C1)cccc2

STK576869
Synonyms: 2-{[4-(4-methoxyphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethanone
Smiles: COc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)C)nnc1c1ccccn1

STK576870
Synonyms: (2E)-N-[5,7-bis(4-chlorophenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(3-nitrophenyl)prop-2-enamide
Smiles: O=C(Nc1[nH]c2=NC(=CC(n2n1)c1ccc(cc1)Cl)c1ccc(cc1)Cl)/C=C/c1cccc(c1)[N+](=O)[O-]

STK576872
Synonyms: N'-[1-(3-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(phenylacetyl)pyridine-4-carbohydrazide
Smiles: O=C(N(C1CC(=O)N(C1=O)c1cccc(c1)[N+](=O)[O-])NC(=O)c1ccncc1)Cc1ccccc1

STK576875
Synonyms: 4-{[(2R)-2-{[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)propanoyl]amino}-2-phenylacetyl]amino}butanoicacid
Smiles: O=C(N[C@H](c1ccccc1)C(=O)NCCCC(=O)O)CCc1c(=O)oc2c(c1C)cc1c(c2)oc2c1CCCC2

STK576876
Synonyms: 7-(2-fluorobenzyl)-6-hydroxy-3-methyl-8-[4-(2-methylprop-2-en-1-yl)piperazin-1-yl]-3,7-dihydro-2H-purin-2-one
Smiles: CC(=C)CN1CCN(CC1)c1nc2c(n1Cc1ccccc1F)c(O)nc(=O)n2C

STK576878
Synonyms: 7-(2-chlorophenyl)-2-(2-phenylethyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: Clc1ccccc1n1ncc2c1ncn1c2nc(n1)CCc1ccccc1

STK576879
Synonyms: 6-[({1-[(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetyl]-4-phenylpiperidin-4-yl}carbonyl)amino]hexanoicacid
Smiles: OC(=O)CCCCCNC(=O)C1(CCN(CC1)C(=O)Cc1c(=O)oc2c(c1C)ccc(c2C)O)c1ccccc1

STK576880
Synonyms: 4-{[(E)-(4-ethoxyphenyl)methylidene]amino}-5-(2-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCOc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccccc1F

STK576881
Synonyms: (3a'S,6a'R)-3'-(3,4-dihydroxybenzyl)-5-fluoro-5'-(2-methoxyethyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Smiles: COCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(c(c2)O)O)C(=O)Nc2c1cc(F)cc2

STK576882
Synonyms: 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-(piperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1cccc(c1)OCC(Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCNCC1)O

STK576883
Synonyms: 2-(3-methoxyphenyl)-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Smiles: COc1cccc(c1)c1nn2c(n1)c1c(nc2C)sc2c1CC(C)(C)OC2

STK576884
Synonyms: 2-{[5-(2-fluorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1c1ccccc1F

STK576887
Synonyms: (1'R,2'R)-7'-chloro-2'-(furan-2-yl)-1'-(thiophen-2-ylcarbonyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione
Smiles: Clc1ccc2c(c1)C=CC1N2[C@@H](C(=O)c2cccs2)[C@@H]([C@@]21C(=O)c1c(C2=O)cccc1)c1ccco1

STK576888
Synonyms: 3-(2-chloro-6-fluorobenzyl)-8-(2-methoxyethyl)-1,6,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Smiles: COCCn1c(C)c(n2c1nc1c2c(=O)n(c(=O)n1C)Cc1c(F)cccc1Cl)C

STK576889
Synonyms: N-{(1Z)-1-[1-cyano-2-(morpholin-4-yl)-2-oxoethylidene]-1H-isoindol-3-yl}-4-methylbenzamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccc(cc1)C)/C(=O)N1CCOCC1

STK576891
Synonyms: 6-methyl-2-(morpholin-4-yl)-5-pentylpyrimidin-4-ol
Smiles: CCCCCc1c(C)nc(nc1O)N1CCOCC1

STK576892
Synonyms: (3aR,6aS)-3-(2,3-dimethoxyphenyl)-5-(2,6-dimethylphenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: COc1c(OC)cccc1C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1c(C)cccc1C

STK576896
Synonyms: 7-methyl-10-(pyridin-2-yl)-10,11-dihydro-5H,9H-benzo[3,4]chromeno[6,7-e][1,3]oxazin-5-one
Smiles: Cc1c2OCN(Cc2cc2c1oc(=O)c1c2cccc1)c1ccccn1

STK576897
Synonyms: 1-(4-ethylphenyl)-N-(3-methylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Smiles: CCc1ccc(cc1)c1c(C(=O)Nc2cccc(c2)C)n2c3c1CCCCn3c(c2)c1ccccc1

STK576898
Synonyms: (4E)-1-(3-chlorophenyl)-4-[hydroxy(phenyl)methylidene]-5-[4-(propan-2-yl)phenyl]pyrrolidine-2,3-dione
Smiles: Clc1cccc(c1)N1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1ccc(cc1)C(C)C

STK576899
Synonyms: N-[3-(2-methoxyphenyl)-3-methylpentyl]cyclohexanecarboxamide
Smiles: CCC(c1ccccc1OC)(CCNC(=O)C1CCCCC1)C

STK576900
Synonyms: methyl4-[7-fluoro-2-(2-hydroxyethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
Smiles: OCCN1C(=O)c2c(C1c1ccc(cc1)C(=O)OC)c(=O)c1c(o2)ccc(c1)F

STK576904
Synonyms: (2Z)-2-(4-ethylbenzylidene)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: CCc1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCN(CC1)C)[O-]

STK576905
Synonyms: 3-[2-(dimethylamino)ethyl]-2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Smiles: CN(CCn1c(C)nc2c(c1=O)sc1c2cc2c(n1)CC(OC2)(C)C)C

STK576906
Synonyms: methylN-(cyclohexylcarbamoyl)-D-methioninate
Smiles: COC(=O)[C@H](NC(=O)NC1CCCCC1)CCSC

STK576908
Synonyms: 4-{[(E)-(2,6-dichlorophenyl)methylidene]amino}-5-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1ccccc1c1n[nH]c(=S)n1/N=C/c1c(Cl)cccc1Cl

STK576909
Synonyms: 3-(3-chlorophenyl)-2-(piperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: Clc1cccc(c1)n1c(nc2c(c1=O)c1CCCCCc1s2)N1CCNCC1

STK576910
Synonyms: 3-(2-methylpropyl)-5-propyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-ylbutanoate
Smiles: CCCC(=O)Oc1cn(c2c1c1nc3c(n1c(n2)CCC)cccc3)CC(C)C

STK576912
Synonyms: (5E)-6-hydroxy-3-(2-methylphenyl)-5-[1-(morpholin-4-ylamino)propylidene]pyrimidine-2,4(3H,5H)-dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1C)O)/NN1CCOCC1

STK576913
Synonyms: (2S)-N-(3-chloro-4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3(4H)-yl)butanamide
Smiles: CC([C@H](n1cnc2c(c1=O)cccc2)C(=O)Nc1ccc(c(c1)Cl)F)C