FULL DB

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

STL050120
Synonyms: 2-{[(E)-{1-[2-(cyclohex-1-en-1-yl)ethyl]-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene}methyl]amino}benzoicacid
Smiles: SC1=NC(=O)/C(=C\Nc2ccccc2C(=O)O)/C(=O)N1CCC1=CCCCC1

STL050121
Synonyms: N-[(2Z)-5-(furan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-(4-methylphenoxy)acetamide
Smiles: Cc1ccc(cc1)OCC(=O)/N=c\1/[nH]nc(s1)c1ccco1

STL050126
Synonyms: 1-(4-chlorophenyl)-N-(2-methoxyphenyl)-4-oxo-2-(thiophen-2-yl)azetidine-2-carboxamide
Smiles: COc1ccccc1NC(=O)C1(CC(=O)N1c1ccc(cc1)Cl)c1cccs1

STL050132
Synonyms: N-(3,4-difluorophenyl)-2-{[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)F)F)nnc1c1cccc(c1)OC

STL050137
Synonyms: N-[(3Z)-1,7-dimethyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-3-methylbenzamide
Smiles: Cc1cccc(c1)C(=O)/N=c/1\[nH]n(c2c1cc1ccc(cc1n2)C)C

STL050156
Synonyms: (2S)-2-amino-4-(methylsulfanyl)-N'-[(E)-quinoxalin-5-ylmethylidene]butanehydrazide(non-preferredname)
Smiles: CSCC[C@@H](C(=O)N/N=C/c1cccc2c1nccn2)N

STL050158
Synonyms: 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-2-ium-4-yl)propanoate
Smiles: [O-]C(=O)CCC1C(=[NH+]NC1=O)C

STL050182
Synonyms: N'-{(1E)-1-[4-hydroxy-2,6-dioxo-1-(prop-2-en-1-yl)-1,6-dihydropyrimidin-5(2H)-ylidene]ethyl}heptanehydrazide
Smiles: CCCCCCC(=O)NN/C(=C/1\C(=NC(=O)N(C1=O)CC=C)O)/C

STL050187
Synonyms: 2-hydroxy-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide
Smiles: NNC(=O)C12CCC(C2(C)C)(C(=O)C1O)C

STL050192
Synonyms: 2-[4-(4-tert-butylphenoxy)quinazolin-1-ium-2-yl]phenolate
Smiles: [O-]c1ccccc1c1nc(Oc2ccc(cc2)C(C)(C)C)c2c([nH+]1)cccc2

STL050194
Synonyms: N-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]-N-phenylpropanamide
Smiles: CCC(=O)N(c1ccccc1)Cc1cc(=O)[nH]c2c1cccc2

STL050197
Synonyms: 2-[4-(4-ethoxyphenoxy)quinazolin-1-ium-2-yl]phenolate
Smiles: CCOc1ccc(cc1)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STL050208
Synonyms: 8-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-6-hydroxy-3-methyl-7-(propan-2-yl)-3,7-dihydro-2H-purin-2-one
Smiles: Fc1ccc(cc1)/C=N/Nc1nc2c(n1C(C)C)c(O)nc(=O)n2C

STL050215
Synonyms: N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[4-ethyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)c1nnc(n1CC)SCC(=O)Nc1cc(C)c(cc1OC)Cl

STL050217
Synonyms: 1',6'-dimethyl-1-(3-methylphenyl)-2,6-dioxo-1,1',4',6-tetrahydro-2H,2'H-spiro[pyrimidine-5,3'-quinolinium]-4-olate
Smiles: Cc1cccc(c1)N1C(=O)N=C(C2(C1=O)Cc1cc(C)ccc1[NH+](C2)C)[O-]

STL050224
Synonyms: (5E)-6-hydroxy-5-(1-{[2-(1H-indol-3-yl)ethyl]amino}ethylidene)-3-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
Smiles: C=CCN1C(=O)N=C(/C(=C(\NCCc2c[nH]c3c2cccc3)/C)/C1=O)O

STL050230
Synonyms: 2-({5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide
Smiles: N[C@H](c1nnc(o1)SCC(=O)N)Cc1ccccc1

STL050234
Synonyms: (2Z)-2-[(4-ethylphenyl)imino]-7-(4-methoxyphenyl)-2,6,7,8-tetrahydroquinazolin-5(1H)-one
Smiles: CCc1ccc(cc1)/N=c/1\ncc2c([nH]1)CC(CC2=O)c1ccc(cc1)OC

STL050246
Synonyms: N-[(2,5-dichlorophenyl)carbamoyl]-D-methionine
Smiles: CSCC[C@H](C(=O)O)NC(=O)Nc1cc(Cl)ccc1Cl

STL050256
Synonyms: 6-{[4-(butan-2-ylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy}pyridazin-3(2H)-one
Smiles: CCC(Nc1nc(nc(n1)OC)Oc1ccc(=O)[nH]n1)C

STL050265
Synonyms: (2Z)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: CCOc1cc(/C=C(/C(=O)[O-])\Sc2[nH]nc([nH+]2)C)cc(c1OC)Cl

STL050267
Synonyms: (3S,3a'R,8a'S,8b'S)-2'-(2-methoxy-4-nitrophenyl)-5,7-dimethyl-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: COc1cc(ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cc(C)cc2C)[N+](=O)[O-]

STL050284
Synonyms: N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butanamide
Smiles: CC(Cc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)c2cccc(c2)C(F)(F)F)/s1)C

STL050285
Synonyms: (5E)-6-hydroxy-5-(1-{[3-(1H-imidazol-1-yl)propyl]amino}ethylidene)-3-(4-methylphenyl)pyrimidine-2,4(3H,5H)-dione
Smiles: Cc1ccc(cc1)N1C(=O)N=C(/C(=C(\NCCCn2cncc2)/C)/C1=O)O

STL050286
Synonyms: (2Z)-3-(3-chloro-4-ethoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: CCOc1ccc(cc1Cl)/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C

STL050287
Synonyms: (1S)-1-[5-(ethylsulfanyl)-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethanamine
Smiles: CCSc1nnc(o1)[C@H](Cc1c[nH]c2c1cccc2)N

STL050291
Synonyms: azepan-1-yl[1-(2,5-dimethoxybenzyl)piperidin-3-yl]methanone
Smiles: COc1ccc(cc1CN1CCCC(C1)C(=O)N1CCCCCC1)OC

STL050296
Synonyms: 1-[2-(4-chlorophenyl)-2-oxoethyl]-3-(3,4-dichlorophenyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: Clc1ccc(cc1)C(=O)Cn1cc([n+]2c1CCC2)c1ccc(c(c1)Cl)Cl

STL050310
Synonyms: 2-[4-(2-chloro-4-methylphenoxy)quinazolin-1-ium-2-yl]phenolate
Smiles: Cc1ccc(c(c1)Cl)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STL050311
Synonyms: 1-(4-ethoxyphenyl)-1',6'-dimethyl-2,6-dioxo-1,1',4',6-tetrahydro-2H,2'H-spiro[pyrimidine-5,3'-quinolinium]-4-olate
Smiles: CCOc1ccc(cc1)N1C(=O)N=C(C2(C1=O)Cc1cc(C)ccc1[NH+](C2)C)[O-]

STL050316
Synonyms: N-(3,5-dimethylphenyl)-N'-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
Smiles: CCCc1n[nH]/c(=N/C(=O)CCC(=O)Nc2cc(C)cc(c2)C)/s1

STL050322
Synonyms: 2-(4-methoxyphenyl)-N-[(3Z)-7-methyl-1-propyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]acetamide
Smiles: CCCn1[nH]/c(=N\C(=O)Cc2ccc(cc2)OC)/c2c1nc1cc(C)ccc1c2

STL050324
Synonyms: N-[1-(4-fluorophenyl)-4-hydroxy-2,6-dioxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]thiophene-2-carboxamide
Smiles: Fc1ccc(cc1)n1c(=O)nc(c2c1NC(=O)C2(NC(=O)c1cccs1)C(F)(F)F)O

STL050353
Synonyms: 4-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzenesulfonamide
Smiles: CC(=O)C1=C(O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])c1ccc(cc1)S(=O)(=O)N

STL050358
Synonyms: 2-[1,3-dimethyl-7-(4-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-9-ium-8-yl]phenolate
Smiles: Cc1ccc(cc1)c1cn2c(n1c1ccccc1[O-])[nH+]c1c2c(=O)n(C)c(=O)n1C

STL050359
Synonyms: 2-[(E)-{[3-(5-methyl-1H-pyrazol-3-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoicacid
Smiles: OC(=O)c1ccccc1/C=N/n1c(=S)[nH]nc1c1n[nH]c(c1)C

STL050365
Synonyms: 1-(3-benzyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
Smiles: COc1ccccc1OCC(Cn1c(=N)n(c2c1cccc2)Cc1ccccc1)O

STL050371
Synonyms: 4-{[(3Z)-3-{[(2,5-dichlorophenyl)sulfonyl]imino}-3,4-dihydroquinoxalin-2-yl]amino}benzoicacid
Smiles: Clc1ccc(c(c1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1ccc(cc1)C(=O)O)Cl

STL050372
Synonyms: 3-{[(1E)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)propyl]amino}benzoicacid
Smiles: CC/C(=C\1/C(=NC(=NC1=O)O)O)/Nc1cccc(c1)C(=O)O

STL050374
Synonyms: (5Z)-5-({[3-(diethylammonio)propyl]amino}methylidene)-1-(2,3-dimethylphenyl)-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: CC[NH+](CCCN/C=C\1/C(=NC(=O)N(C1=O)c1cccc(c1C)C)[O-])CC

STL050376
Synonyms: 2-[4-(4-chloro-2,3-dimethylphenoxy)quinazolin-1-ium-2-yl]phenolate
Smiles: [O-]c1ccccc1c1nc(Oc2ccc(c(c2C)C)Cl)c2c([nH+]1)cccc2

STL050380
Synonyms: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-cyclohexylmethylidene]-5-(4-methylphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Smiles: O=C(c1nnn(c1c1ccc(cc1)C)c1nonc1N)N/N=C/C1CCCCC1

STL050389
Synonyms: 2-[(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]pentanoicacid
Smiles: CCCC(N1C(=S)S/C(=C\c2nc3c([nH]2)cccc3)/C1=O)C(=O)O

STL050401
Synonyms: 4-{[(E)-1H-indol-3-ylmethylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Smiles: Sc1nnc(n1/N=C/c1c[nH]c2c1cccc2)c1n[nH]c(c1)c1ccccc1

STL050404
Synonyms: (E)-{1'-[3-(dimethylammonio)propyl]-1-methyl-2,4',5'-trioxo-1,2-dihydro-3'H-spiro[indole-3,2'-pyrrolidin]-3'-ylidene}(5-methylfuran-2-yl)methanolate
Smiles: Cc1ccc(o1)/C(=C/1\C(=O)C(=O)N(C21C(=O)N(c1c2cccc1)C)CCC[NH+](C)C)/[O-]

STL050409
Synonyms: 9-(4-chlorophenyl)-4-hydroxy-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purin-2(1H)-one
Smiles: Clc1ccc(cc1)N1CCCn2c1nc1c2c(O)nc(=O)n1C

STL050433
Synonyms: 4-(4-bromophenyl)-5-hydroxyindeno[1,2-d][1,3]thiazin-2(4H)-one
Smiles: Brc1ccc(cc1)C1SC(=O)N=C2C1=C(O)c1c2cccc1

STL050438
Synonyms: 3-(4-chlorophenyl)-7-ethoxy-2-methyl-4H-chromen-4-one
Smiles: CCOc1ccc2c(c1)oc(c(c2=O)c1ccc(cc1)Cl)C

STL050441
Synonyms: 6-hydroxy-3-(2-methylphenyl)-5-[(E)-(morpholin-4-ylimino)methyl]-1-phenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Smiles: Cc1ccccc1n1c(=O)c(/C=N/N2CCOCC2)c(n(c1=S)c1ccccc1)O

STL050442
Synonyms: 6-{[4-(dimethylamino)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}pyridazin-3(2H)-one
Smiles: O=c1ccc(n[nH]1)Oc1nc(nc(n1)N1CCOCC1)N(C)C

STL050449
Synonyms: 2-[(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]butan-1-ol
Smiles: CCC(Nc1nc(C)nc2c1oc1c2cccc1)CO

STL050463
Synonyms: 4-fluoro-N-[(2E)-6-(morpholin-4-ylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]benzamide
Smiles: Fc1ccc(cc1)C(=O)/N=c\1/sc2c([nH]1)ccc(c2)S(=O)(=O)N1CCOCC1

STL050465
Synonyms: 2-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinazolin-4-olate
Smiles: [O-]c1nc(C[NH+]2CCN(CC2)c2ccccc2)nc2c1cccc2

STL050467
Synonyms: (7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methylfuran-2-carboxylate
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)COC(=O)c1ccco1

STL050468
Synonyms: N-[4-hydroxy-2,6-dioxo-1-phenyl-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]cyclopropanecarboxamide
Smiles: O=C(C1CC1)NC1(C(=O)Nc2c1c(O)nc(=O)n2c1ccccc1)C(F)(F)F

STL050469
Synonyms: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-4H-chromen-7-olate
Smiles: CN1CC[NH+](CC1)Cc1c([O-])ccc2c1occ(c2=O)c1ccc2c(c1)OCCO2

STL050513
Synonyms: 9-methyl-4-[4-(4-nitrophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole
Smiles: [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)c1ncnc2c1[nH]c1c2c(C)ccc1

STL050528
Synonyms: (2E)-3-{2-[(4-chlorobenzyl)oxy]phenyl}-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: Clc1ccc(cc1)COc1ccccc1/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C

STL050544
Synonyms: 6-chloro-4-phenyl-3-{[4-(2-phenylethyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}quinolin-2-ol
Smiles: Clc1ccc2c(c1)c(c1ccccc1)c(c(n2)O)Sc1nnc(n1CCc1ccccc1)c1cccs1

STL050545
Synonyms: (5E)-5-{amino[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-2,6-dihydroxypyrimidin-4(5H)-one
Smiles: OC1=NC(=O)/C(=C(/Nc2nc(C)cc(n2)C)\N)/C(=N1)O

STL050551
Synonyms: N-[(2Z)-3-[(2-ethylphenyl)amino]quinoxalin-2(1H)-ylidene]thiophene-2-sulfonamide
Smiles: CCc1ccccc1Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccs1

STL050569
Synonyms: (2Z)-2-[(4-methoxyphenyl)imino]-7-(4-methylphenyl)-2,6,7,8-tetrahydroquinazolin-5(1H)-one
Smiles: COc1ccc(cc1)/N=c/1\ncc2c([nH]1)CC(CC2=O)c1ccc(cc1)C

STL050574
Synonyms: 2-{[4-amino-5-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-tribromophenyl)acetamide
Smiles: CCOc1ccc(cc1)c1nnc(n1N)SCC(=O)Nc1c(Br)cc(cc1Br)Br

STL050580
Synonyms: (2S)-2-amino-4-methyl-N'-[(E)-quinoxalin-5-ylmethylidene]pentanehydrazide(non-preferredname)
Smiles: CC(C[C@@H](C(=O)N/N=C/c1cccc2c1nccn2)N)C

STL050582
Synonyms: 4-{[(2Z)-3-(3-chloro-2-methylphenyl)-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]amino}-4-oxobutanoicacid
Smiles: OC(=O)CCC(=O)/N=C/1\SC2C(N1c1cccc(c1C)Cl)CS(=O)(=O)C2

STL050587
Synonyms: ethyl1-(2-ethyl[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate
Smiles: CCOC(=O)C1CCCN(C1)c1nc(CC)nc2c1oc1c2cccc1

STL050589
Synonyms: 4-[(2,6-dimethylmorpholin-4-ium-4-yl)methyl]-8-hydroxy-2-oxo-2H-chromen-7-olate
Smiles: CC1C[NH+](CC(O1)C)Cc1cc(=O)oc2c1ccc(c2O)[O-]

STL050596
Synonyms: 4-chloro-N-(4-hydroxyquinazolin-2-yl)benzamide
Smiles: Clc1ccc(cc1)C(=O)Nc1nc(O)c2c(n1)cccc2

STL050605
Synonyms: 9-methoxy-5H-pyrimido[5,4-b]indol-4-ol
Smiles: COc1cccc2c1c1ncnc(c1[nH]2)O

STL050606
Synonyms: (3Z,5E,6E)-5,6-bis(hydroxyimino)-3-(2-oxo-2-phenylethylidene)piperazin-2-one
Smiles: O/N=C\1/N/C(=C\C(=O)c2ccccc2)/C(=O)N/C1=N/O

STL050620
Synonyms: 3-{[(4-fluorophenyl)sulfonyl]amino}-5-methoxy-1H-indole-2-carboxylicacid
Smiles: COc1ccc2c(c1)c(NS(=O)(=O)c1ccc(cc1)F)c([nH]2)C(=O)O

STL050622
Synonyms: (5E)-5-{[1-(3-chloropropyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione
Smiles: ClCCCN1CCc2c1ccc(c2)/C=C/1\C(=NC(=O)N(C1=O)C)O

STL050629
Synonyms: (5E)-5-{1-[(1,3-benzodioxol-5-ylmethyl)amino]propylidene}-2,6-dihydroxypyrimidin-4(5H)-one
Smiles: CC/C(=C\1/C(=NC(=NC1=O)O)O)/NCc1ccc2c(c1)OCO2

STL050633
Synonyms: 4,4'-(piperazine-1,4-diyldisulfonyl)dibenzoicacid
Smiles: OC(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)O

STL050642
Synonyms: 2-({(2Z)-6-amino-2-[(2,5-dimethoxyphenyl)imino]-5-nitro-2,3-dihydropyrimidin-4-yl}amino)ethanol
Smiles: OCCNc1[nH]/c(=N/c2cc(OC)ccc2OC)/nc(c1[N+](=O)[O-])N

STL050646
Synonyms: 4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: OC1=Nc2c(C(SC1)c1ccc3c(c1)OCO3)c(nn2C1CCCC1)C

STL050647
Synonyms: methyl3-[(propylsulfonyl)amino]-1H-indole-2-carboxylate
Smiles: CCCS(=O)(=O)Nc1c([nH]c2c1cccc2)C(=O)OC

STL050658
Synonyms: (2E)-2-[(2-methoxyphenyl)imino]-7-methyl-2,6,7,8-tetrahydroquinazolin-5(1H)-one
Smiles: COc1ccccc1/N=c\1/ncc2c([nH]1)CC(CC2=O)C

STL050668
Synonyms: methyl{3-(3,4-dichlorophenyl)-4-[4-(3,4-dichlorophenyl)-3,5-dioxo-1,2,4-oxadiazolidin-2-yl]-5,5-dimethyl-2-oxoimidazolidin-1-yl}acetate
Smiles: COC(=O)CN1C(=O)N(C(C1(C)C)n1oc(=O)n(c1=O)c1ccc(c(c1)Cl)Cl)c1ccc(c(c1)Cl)Cl

STL050669
Synonyms: 4-[4-(4-chlorobenzyl)piperazin-1-yl][1]benzofuro[3,2-d]pyrimidine
Smiles: Clc1ccc(cc1)CN1CCN(CC1)c1ncnc2c1oc1c2cccc1

STL050673
Synonyms: (5E)-3-(4-bromophenyl)-5-({[3-chloro-4-(morpholin-4-yl)phenyl]amino}methylidene)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: Brc1ccc(cc1)N1C(=O)N=C(/C(=C\Nc2ccc(c(c2)Cl)N2CCOCC2)/C1=O)O

STL050679
Synonyms: N-[4-hydroxy-2,6-dioxo-1-(2-phenylethyl)-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-phenylpropanamide
Smiles: O=C(NC1(C(=O)Nc2c1c(O)nc(=O)n2CCc1ccccc1)C(F)(F)F)CCc1ccccc1

STL050695
Synonyms: 4-{[(E)-(2,4-dihydroxyphenyl)methylidene]amino}-5-(2-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Oc1ccc(c(c1)O)/C=N/n1c(=S)[nH]nc1c1ccccc1F

STL050706
Synonyms: 4-[3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzenesulfonamide
Smiles: COc1ccc(c(c1)OC)C1C(=C(C(=O)N1c1ccc(cc1)S(=O)(=O)N)O)C(=O)C

STL050707
Synonyms: 4-[4-(diphenylmethyl)piperazin-1-yl]-N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
Smiles: CC(Cc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)C(c2ccccc2)c2ccccc2)/s1)C

STL050723
Synonyms: 2-[(Z)-(3-{[bis(2-methoxy-2-oxoethyl)amino]methyl}-4-hydroxy-5-methylphenyl)(3-{[bis(2-methoxy-2-oxoethyl)amino]methyl}-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonicacid
Smiles: COC(=O)CN(CC1=C/C(=C(\c2ccccc2S(=O)(=O)O)/c2cc(C)c(c(c2)CN(CC(=O)OC)CC(=O)OC)O)/C=C(C1=O)C)CC(=O)OC

STL050724
Synonyms: N-[(2Z)-5-cyclohexyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanamide
Smiles: CC1CC(C)CN(C1)C(=O)CCC(=O)/N=c\1/[nH]nc(s1)C1CCCCC1

STL050743
Synonyms: (4Z)-6-[(4-methoxyphenoxy)methyl]-4-[(4-methoxyphenyl)imino]-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: COc1ccc(cc1)OCc1nc(N)n/c(=N\c2ccc(cc2)OC)/[nH]1

STL050744
Synonyms: (2Z)-3-(2,4-dichlorophenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: Clc1ccc(c(c1)Cl)/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C

STL050759
Synonyms: 2-{[(2E)-6-ethoxy-4-methylquinazolin-2(1H)-ylidene]amino}-7-(furan-2-yl)-7,8-dihydroquinazolin-5(6H)-one
Smiles: CCOc1ccc2c(c1)c(C)n/c(=N/c1ncc3c(n1)CC(CC3=O)c1ccco1)/[nH]2

STL050777
Synonyms: (2Z)-3-(3-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)imino]-6-hydroxy-2,3,4,5-tetrahydropyrimidine-4-carboxylicacid
Smiles: OC(=O)C1CC(=N/C(=N\c2nc(C)cc(n2)C)/N1c1cccc(c1)Cl)O

STL050790
Synonyms: 2-chloro-N-(3-fluorophenyl)-5-nitropyrimidine-4,6-diamine
Smiles: Fc1cccc(c1)Nc1nc(Cl)nc(c1[N+](=O)[O-])N

STL050796
Synonyms: (2E)-N-{[(2E)-4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene]carbamothioyl}-3-(furan-2-yl)prop-2-enamide
Smiles: COc1ccc(cc1Br)c1cs/c(=N/C(=S)NC(=O)/C=C/c2ccco2)/[nH]1

STL050799
Synonyms: 7-methyl-3-[5-(tetrahydrofuran-2-yl)-1,2,4-oxadiazol-3-yl]quinolin-2(1H)-one
Smiles: Cc1ccc2c(c1)[nH]c(=O)c(c2)c1noc(n1)C1CCCO1

STL050811
Synonyms: 1-[2-(morpholin-4-yl)ethyl]-N-(naphthalen-1-ylmethyl)-1H-benzimidazol-2-amine
Smiles: O1CCN(CC1)CCn1c(NCc2cccc3c2cccc3)nc2c1cccc2

STL050814
Synonyms: (2Z)-2-[(4-methylphenyl)imino]-6-(morpholin-4-yl)-5-nitro-1,2-dihydropyrimidin-4-amine
Smiles: Cc1ccc(cc1)/N=c/1\nc(N)c(c([nH]1)N1CCOCC1)[N+](=O)[O-]

STL050822
Synonyms: N-[7-(4-chlorophenyl)-5-oxo-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide
Smiles: Clc1ccc(cc1)C1CC(=O)N=c2n1nc([nH]2)NC(=O)c1ccco1

STL050827
Synonyms: (2E)-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl](2-oxo-1,2-dihydro-3H-indol-3-ylidene)ethanoate
Smiles: [O-]C(=O)/C(=C/1\C(=O)Nc2c1cccc2)/Sc1[nH]nc([nH+]1)C

STL050835
Synonyms: (5Z)-5-{[5-(2,5-dichlorophenyl)-1H-pyrrol-2-yl]methylidene}-2,6-dihydroxypyrimidin-4(5H)-one
Smiles: OC1=NC(=O)/C(=C\c2ccc([nH]2)c2cc(Cl)ccc2Cl)/C(=N1)O

STL050846
Synonyms: (5E)-1-(prop-2-en-1-yl)-5-[(1-propyl-1H-indol-3-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: C=CCN1C(=NC(=O)/C(=C\c2cn(c3c2cccc3)CCC)/C1=O)S

STL050847
Synonyms: N-[(2E)-4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene]-2-fluorobenzamide
Smiles: COc1ccc(cc1Br)c1cs/c(=N/C(=O)c2ccccc2F)/[nH]1

STL050850
Synonyms: (2E)-3-(3-{5-[(2-fluorobenzyl)sulfanyl]-1H-tetrazol-1-yl}phenyl)prop-2-enoicacid
Smiles: OC(=O)/C=C/c1cccc(c1)n1nnnc1SCc1ccccc1F

STL050858
Synonyms: 7-methoxy-4-[4-(4-nitrophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole
Smiles: COc1ccc2c(c1)[nH]c1c2ncnc1N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]

STL050862
Synonyms: 4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N-[(2Z)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
Smiles: Fc1ccc(cc1)N1CCN(CC1)C(=O)CCC(=O)/N=c\1/[nH]nc(s1)C(F)(F)F

STL050863
Synonyms: N-[(3-chloro-4-methoxyphenyl)carbamoyl]-L-phenylalanine
Smiles: COc1ccc(cc1Cl)NC(=O)N[C@H](C(=O)O)Cc1ccccc1

STL050876
Synonyms: N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}-2-({4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)Nc1cc(C)nc(n1)C)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)C

STL050908
Synonyms: N,N-diethyl-2-[(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)oxy]ethanamine
Smiles: CCN(CCOc1nc(C)nc2c1oc1c2cccc1)CC

STL050913
Synonyms: (E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-methyl-1'-[2-(morpholin-4-ium-4-yl)ethyl]-2,4',5'-trioxo-1,2-dihydro-3'H-spiro[indole-3,2'-pyrrolidin]-3'-ylidene}methanolate
Smiles: [O-]/C(=C\1/C(=O)C(=O)N(C21C(=O)N(c1c2cccc1)C)CC[NH+]1CCOCC1)/c1ccc2c(c1)OCCO2

STL050915
Synonyms: 2-(4-methoxybenzyl)-12-phenyl-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3-ium-9-olate
Smiles: COc1ccc(cc1)Cc1[nH+]n2c(n1)c1c(nc2)Oc2c(C1c1ccccc1)ccc(c2)[O-]

STL050918
Synonyms: 2-propylpyrimido[1,2-a]benzimidazol-4-ol
Smiles: CCCc1cc(O)n2c(n1)nc1c2cccc1

STL050920
Synonyms: 4-[(E)-({2-amino-3-[(3-chlorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]quinoxalin-1-yl}imino)methyl]benzene-1,2-diol
Smiles: Clc1cccc(c1)S(=O)(=O)c1c(N)n(c2c1nc1ccccc1n2)/N=C/c1ccc(c(c1)O)O

STL050923
Synonyms: (2E)-6-(4-benzylpiperazin-1-yl)-2-[(3-chlorophenyl)imino]-5-nitro-1,2-dihydropyrimidin-4-amine
Smiles: Clc1cccc(c1)/N=c\1/nc(N)c(c([nH]1)N1CCN(CC1)Cc1ccccc1)[N+](=O)[O-]

STL050926
Synonyms: 2-[(1E)-1-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)ethyl]benzoate
Smiles: CCCOc1ccc(cc1)c1c(nnn1c1nonc1[NH3+])C(=O)N/N=C(/c1ccccc1C(=O)[O-])\C

STL050928
Synonyms: 6-hydroxy-3-methyl-8-(methylamino)-7-(2-phenoxyethyl)-3,7-dihydro-2H-purin-2-one
Smiles: CNc1nc2c(n1CCOc1ccccc1)c(O)nc(=O)n2C

STL050936
Synonyms: (5E)-5-[1-(hexylamino)propylidene]-2,6-dihydroxypyrimidin-4(5H)-one
Smiles: CCCCCCN/C(=C/1\C(=NC(=NC1=O)O)O)/CC

STL050937
Synonyms: (7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl(4-methoxyphenyl)acetate
Smiles: COc1ccc(cc1)CC(=O)OCc1cc2ccc(cc2[nH]c1=O)C

STL050938
Synonyms: 5-(2,4-dimethoxybenzyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: COc1cc(OC)ccc1CC1C(=O)NC(=O)N=C1O

STL050939
Synonyms: 2-(2-chlorophenyl)-12-(3,4-dimethoxyphenyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3-ium-9-olate
Smiles: COc1ccc(cc1OC)C1c2ccc(cc2Oc2c1c1nc([nH+]n1cn2)c1ccccc1Cl)[O-]

STL050941
Synonyms: 6-methyl-5-(3-methylbutyl)-2-[(tetrahydrofuran-2-ylmethyl)amino]pyrimidin-4-ol
Smiles: CC(CCc1c(C)nc(nc1O)NCC1CCCO1)C

STL050942
Synonyms: (1S)-1-[5-(ethylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine
Smiles: CCSc1nnc(o1)[C@@H](N)C

STL050943
Synonyms: 7-(furan-2-yl)-2-{[(2E)-6-methoxy-4-methylquinazolin-2(1H)-ylidene]amino}-7,8-dihydroquinazolin-5(6H)-one
Smiles: COc1ccc2c(c1)c(C)n/c(=N/c1ncc3c(n1)CC(CC3=O)c1ccco1)/[nH]2

STL050951
Synonyms: 2-[(2Z)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2(3H)-ylidenecarbamoyl]benzoicacid
Smiles: OC(=O)c1ccccc1C(=O)/N=c\1/[nH]c2c(s1)CCCCCCCCCC2

STL050963
Synonyms: 4-({(1E)-1-[4-hydroxy-1-(4-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]ethyl}amino)benzoicacid
Smiles: Cc1ccc(cc1)N1C(=O)N=C(/C(=C(\Nc2ccc(cc2)C(=O)O)/C)/C1=O)O

STL050978
Synonyms: 8-[bis(2-hydroxyethyl)amino]-6-hydroxy-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-2H-purin-2-one
Smiles: OCCN(c1nc2c(n1CCOc1ccccc1)c(O)nc(=O)n2C)CCO

STL051000
Synonyms: 2-[4-(2-amino-2-iminoethyl)phenoxy]acetamide
Smiles: NC(=O)COc1ccc(cc1)CC(=N)N

STL051011
Synonyms: 4-(1,3-benzodioxol-5-yl)-2-phenyl-4,6,7,8-tetrahydro-2H-pyrazolo[3,4-b]quinoline-3,5-diol
Smiles: OC1=C2C(=Nc3c(C2c2ccc4c(c2)OCO4)c(O)n(n3)c2ccccc2)CCC1

STL051013
Synonyms: 1-[2-(3,4-dichlorophenyl)-2-oxoethyl]-3-(4-fluorophenyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: Fc1ccc(cc1)c1cn(c2[n+]1CCC2)CC(=O)c1ccc(c(c1)Cl)Cl

STL051017
Synonyms: {[5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetate
Smiles: CCn1c(SCC(=O)[O-])[nH+]nc1c1cccc(c1)Cl

STL051023
Synonyms: 3-[5-(4-bromophenyl)furan-2-yl]-2-phenyl-5-(4-propoxyphenyl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Smiles: CCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(o1)c1ccc(cc1)Br

STL051026
Synonyms: 5-methoxy-2-(7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)phenol
Smiles: COc1ccc(c(c1)O)c1nnc2n1cnc1c2cnn1c1ccccc1

STL051034
Synonyms: 5-(7,9-dichloro-1,3-dimethyl-2,4-dioxo-1,3,4,5-tetrahydro-2H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: Clc1cc(Cl)c2c(c1)C(c1c([O-])n(C)c(=O)n(c1=O)C)c1c(O2)n(C)c(=O)n(c1=O)C

STL051036
Synonyms: 3-{[(4-methoxyphenyl)sulfonyl]amino}-1H-indole-2-carboxylicacid
Smiles: COc1ccc(cc1)S(=O)(=O)Nc1c([nH]c2c1cccc2)C(=O)O

STL051050
Synonyms: (5E)-5-[1-(cyclopropylamino)propylidene]-2,6-dihydroxypyrimidin-4(5H)-one
Smiles: CC/C(=C\1/C(=NC(=NC1=O)O)O)/NC1CC1

STL051054
Synonyms: N-(4-{[(1E)-1-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethylidene]amino}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)/N=C(/c1c(O)n(C)c(=O)n(c1=O)C)\C

STL051062
Synonyms: 5-methoxy-1,2-dimethyl-N'-[(E)-(3-nitrophenyl)methylidene]-1H-indole-3-carbohydrazide
Smiles: COc1ccc2c(c1)c(C(=O)N/N=C/c1cccc(c1)[N+](=O)[O-])c(n2C)C

STL051064
Synonyms: N-{(E)-[1-(4-chlorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}alanylasparagine
Smiles: NC(=O)CC(C(=O)O)NC(=O)C(N/C=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)Cl)O)C

STL051068
Synonyms: N-[(2Z)-3-(cyclopentylamino)quinoxalin-2(1H)-ylidene]-2,4-dimethylbenzenesulfonamide
Smiles: Cc1ccc(c(c1)C)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1NC1CCCC1

STL051080
Synonyms: 2-{[(2E)-6-chloro-4-phenylquinazolin-2(1H)-ylidene]amino}-7,8-dihydroquinazolin-5(6H)-one
Smiles: Clc1ccc2c(c1)c(n/c(=N/c1ncc3c(n1)CCCC3=O)/[nH]2)c1ccccc1

STL051081
Synonyms: 2-(4-chlorophenoxy)-N-[(2E)-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]acetamide
Smiles: COc1cc(ccc1OC)c1n[nH]/c(=N\C(=O)COc2ccc(cc2)Cl)/s1

STL051082
Synonyms: 3-[(E)-(5-cyano-2,6-dihydroxy-4-methylpyridin-3-yl)diazenyl]benzoicacid
Smiles: N#Cc1c(O)nc(c(c1C)/N=N/c1cccc(c1)C(=O)O)O

STL051083
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)NCCc1ccc(cc1)Cl)C

STL051088
Synonyms: 3-(4-chlorophenyl)-7-[(2-methylprop-2-en-1-yl)oxy]-4H-chromen-4-one
Smiles: CC(=C)COc1ccc2c(c1)occ(c2=O)c1ccc(cc1)Cl

STL051093
Synonyms: methylN-{(E)-[1-(4-ethoxyphenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}tryptophanate
Smiles: CCOc1ccc(cc1)N1C(=O)N=C(/C(=C\NC(C(=O)OC)Cc2c[nH]c3c2cccc3)/C1=O)O

STL051105
Synonyms: (1S)-1-[5-(butylsulfanyl)-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethanamine
Smiles: CCCCSc1nnc(o1)[C@H](Cc1c[nH]c2c1cccc2)N

STL051124
Synonyms: 6-chloro-3-{[5-(4-methoxyphenyl)-4-(4-phenoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-4-phenylquinolin-2-ol
Smiles: COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Oc1ccccc1)Sc1c(O)nc2c(c1c1ccccc1)cc(cc2)Cl

STL051126
Synonyms: 1-{2-[(2-chlorophenyl)amino]-2-oxoethyl}-3-phenyl-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: O=C(Nc1ccccc1Cl)Cn1cc([n+]2c1CCC2)c1ccccc1

STL051127
Synonyms: {[3-cyano-6-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}(phenyl)aceticacid
Smiles: N#Cc1c(nc(cc1C(F)(F)F)c1ccc(cc1OC)OC)SC(c1ccccc1)C(=O)O

STL051130
Synonyms: N-benzyl-6-hydroxy-2-(morpholin-4-yl)-4,5-dihydropyrimidine-4-carboxamide
Smiles: O=C(C1CC(=NC(=N1)N1CCOCC1)O)NCc1ccccc1

STL051159
Synonyms: N'-[(1E)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)ethyl]pentanehydrazide
Smiles: CCCCC(=O)NN/C(=C/1\C(=NC(=NC1=O)O)O)/C

STL051161
Synonyms: 1-[4-(4-chlorophenyl)-6-hydroxy-3,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-5-yl]ethanone
Smiles: CC(=O)C1C(c2ccc(cc2)Cl)c2c(CC1(C)O)[nH]nc2C

STL051167
Synonyms: 1-{2-imino-3-[2-(piperidin-1-yl)ethyl]-2,3-dihydro-1H-benzimidazol-1-yl}-3-(3-methylphenoxy)propan-2-ol
Smiles: OC(Cn1c(=N)n(c2c1cccc2)CCN1CCCCC1)COc1cccc(c1)C

STL051174
Synonyms: 3-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol
Smiles: COc1cccc2c1nc(C)cc2Nc1cccc(c1)O

STL051179
Synonyms: N-cyclopentyl-N'-[(2Z)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
Smiles: CCc1n[nH]/c(=N/C(=O)CCC(=O)NC2CCCC2)/s1

STL051190
Synonyms: (E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(pyridin-4-yl)pyrrolidin-3-ylidene][4-(2-methylpropoxy)phenyl]methanolate
Smiles: CC(COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)Cc1ccc[nH+]c1)/[O-])C

STL051202
Synonyms: 1-methyl-1H-benzimidazol-3-ium-2-sulfonate
Smiles: Cn1c2ccccc2[nH+]c1S(=O)(=O)[O-]

STL051204
Synonyms: {2-[(E)-{[3-(5-phenyl-1H-pyrazol-3-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]phenoxy}aceticacid
Smiles: OC(=O)COc1ccccc1/C=N/n1c(=S)[nH]nc1c1n[nH]c(c1)c1ccccc1

STL051228
Synonyms: N-[(3Z)-6-methoxy-1-(2-methylpropyl)-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]acetamide
Smiles: COc1ccc2c(c1)cc1c(n2)n([nH]/c/1=N\C(=O)C)CC(C)C

STL051254
Synonyms: (5Z)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-1-methyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: Cc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=C(N(C1=O)C)S

STL051258
Synonyms: 3-chloro-N-[(2Z)-3-[(4-fluorophenyl)amino]quinoxalin-2(1H)-ylidene]benzenesulfonamide
Smiles: Fc1ccc(cc1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccc(c1)Cl

STL051267
Synonyms: (2E)-3-(2-ethoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: CCOc1ccccc1/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C

STL051273
Synonyms: 5-[({5-[(1S)-1-amino-3-methylbutyl]-1,3,4-oxadiazol-2-yl}sulfanyl)methyl]-6-methylpyrimidine-2,4(1H,3H)-dione
Smiles: CC(C[C@@H](c1nnc(o1)SCc1c(C)[nH]c(=O)[nH]c1=O)N)C

STL051274
Synonyms: N'-[(1Z)-1-(1-cyclohexyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)propyl]pentanehydrazide
Smiles: CCCCC(=O)NN/C(=C\1/C(=NC(=O)N(C1=O)C1CCCCC1)O)/CC

STL051280
Synonyms: 4-(3,4-dihydroisoquinolin-2(1H)-yl)-2-ethyl[1]benzofuro[3,2-d]pyrimidine
Smiles: CCc1nc(N2CCc3c(C2)cccc3)c2c(n1)c1ccccc1o2

STL051281
Synonyms: N'-[(1E)-1-(4-hydroxy-3-methoxyphenyl)ethylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetohydrazide
Smiles: COc1cc(ccc1O)/C(=N/NC(=O)CSc1nnc(s1)C)/C

STL051282
Synonyms: 2-{4-[3-(acetylamino)phenoxy]quinazolin-1-ium-2-yl}phenolate
Smiles: CC(=O)Nc1cccc(c1)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STL051286
Synonyms: ethyl4-{[(4E)-2-ethyl[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylidene]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)/N=c\1/[nH]c(CC)nc2c1oc1c2cccc1

STL051290
Synonyms: 3-[(benzylsulfonyl)amino]-1H-indole-2-carboxylicacid
Smiles: OC(=O)c1[nH]c2c(c1NS(=O)(=O)Cc1ccccc1)cccc2

STL051302
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)Nc1ccc(cc1C)C)C

STL051307
Synonyms: N-[(2Z)-3-(pentylamino)quinoxalin-2(1H)-ylidene]thiophene-2-sulfonamide
Smiles: CCCCCNc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccs1

STL051326
Synonyms: (5E)-5-(1-{[2-(dimethylammonio)ethyl]amino}ethylidene)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: C=CCN1C(=O)N=C(/C(=C(\NCC[NH+](C)C)/C)/C1=O)[O-]

STL051329
Synonyms: methylN-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}-L-phenylalaninate
Smiles: COC(=O)[C@H](Cc1ccccc1)NC(=O)NCCc1ccc(cc1)S(=O)(=O)N

STL051330
Synonyms: N-[(2Z)-3-[(3,5-dimethoxyphenyl)amino]quinoxalin-2(1H)-ylidene]-2,4-dimethylbenzenesulfonamide
Smiles: COc1cc(cc(c1)OC)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(cc1C)C

STL051331
Synonyms: N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-3-bromo-2-oxo-2H-pyran-5-carboxamide
Smiles: O=C(c1coc(=O)c(c1)Br)/N=c\1/sc2c([nH]1)cccc2

STL051345
Synonyms: tert-butyl[(1S)-1-(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)-3-methylbutyl]carbamate
Smiles: CC(C[C@@H](c1nnc(o1)SCC(=O)c1ccc(cc1)Cl)NC(=O)OC(C)(C)C)C

STL051352
Synonyms: 1-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylurea
Smiles: O=C(NC1(C)CCS(=O)(=O)C1)Nc1ccccc1

STL051366
Synonyms: 1-(4-hydroxy-1-methyl-3-phenylpyrrolo[1,2-a]quinoxalin-2-yl)ethanone
Smiles: CC(=O)c1c(c2ccccc2)c2n(c1C)c1ccccc1nc2O

STL051372
Synonyms: (2E)-2-[(2E)-benzylidenehydrazinylidene]-3-(2-methylpropoxy)-2,3-dihydroquinazolin-4(1H)-one
Smiles: CC(COn1/c(=N/N=C/c2ccccc2)/[nH]c2c(c1=O)cccc2)C

STL051374
Synonyms: 1-[3-butoxy-5-(piperidin-1-ylmethyl)phenyl]ethanone
Smiles: CCCCOc1cc(CN2CCCCC2)cc(c1)C(=O)C

STL051384
Synonyms: 1-(4-methylbenzyl)-1H-benzimidazol-3-ium-2-sulfonate
Smiles: Cc1ccc(cc1)Cn1c2ccccc2[nH+]c1S(=O)(=O)[O-]

STL051387
Synonyms: 3-(4-methylphenyl)-1-(2-phenylethyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: Cc1ccc(cc1)c1cn(c2[n+]1CCC2)CCc1ccccc1

STL051393
Synonyms: 3-{[(3-methoxyphenyl)amino]methyl}-8-methylquinolin-2(1H)-one
Smiles: COc1cccc(c1)NCc1cc2cccc(c2[nH]c1=O)C

STL051398
Synonyms: methyl3-{[(3,4-dimethylphenyl)sulfonyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NS(=O)(=O)c1ccc(c(c1)C)C)cccc2

STL051408
Synonyms: 4-(4-methylpiperidin-1-yl)-N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
Smiles: CC(Cc1n[nH]/c(=N/C(=O)CCC(=O)N2CCC(CC2)C)/s1)C

STL051422
Synonyms: (4E)-1-[2-(2-hydroxyethoxy)ethyl]-4-[hydroxy(3-nitrophenyl)methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Smiles: OCCOCCN1C(=O)C(=O)/C(=C(\c2cccc(c2)[N+](=O)[O-])/O)/C1c1ccc(cc1)[N+](=O)[O-]

STL051425
Synonyms: 5-ethyl-6-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]pyrimidin-4-ol
Smiles: CCc1c(C)nc(nc1O)Nc1nc(C)c2c(n1)cc(c(c2)C)C

STL051442
Synonyms: 3-(9-propyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-1-ium-2-yl)naphthalen-2-olate
Smiles: CCCN1CCc2c(C1)sc1c2c2[nH+]c(nn2cn1)c1cc2ccccc2cc1[O-]

STL051448
Synonyms: 3-benzyltetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-imine5,5-dioxide
Smiles: N=C1SC2C(N1Cc1ccccc1)CS(=O)(=O)C2

STL051452
Synonyms: [3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl2,4-dichlorobenzoate
Smiles: COc1ccc(cc1)C1=NOC(C1)COC(=O)c1ccc(cc1Cl)Cl

STL051466
Synonyms: 1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-3-(4-fluorophenyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: Fc1ccc(cc1)c1cn(c2[n+]1CCC2)CC(=O)c1ccc(c(c1)C)C

STL051472
Synonyms: N-[4-hydroxy-1-methyl-2,6-dioxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]furan-2-carboxamide
Smiles: O=C1Nc2c(C1(NC(=O)c1ccco1)C(F)(F)F)c(O)nc(=O)n2C

STL051476
Synonyms: (E)-{1'-[3-(dimethylammonio)propyl]-1-ethyl-2,4',5'-trioxo-1,2-dihydro-3'H-spiro[indole-3,2'-pyrrolidin]-3'-ylidene}(5-methylfuran-2-yl)methanolate
Smiles: CCN1c2ccccc2C2(C1=O)N(CCC[NH+](C)C)C(=O)C(=O)/C/2=C(\c1ccc(o1)C)/[O-]

STL051478
Synonyms: N-(2-ethyl[1]benzofuro[3,2-d]pyrimidin-4-yl)-L-phenylalanine
Smiles: CCc1nc(N[C@H](C(=O)O)Cc2ccccc2)c2c(n1)c1ccccc1o2

STL051494
Synonyms: 1-[4-(4-bromophenyl)quinazolin-2-yl]guanidine
Smiles: NC(=N)Nc1nc2ccccc2c(n1)c1ccc(cc1)Br

STL051521
Synonyms: 1-(4-fluorophenyl)-1',6'-dimethyl-2,6-dioxo-1,1',4',6-tetrahydro-2H,2'H-spiro[pyrimidine-5,3'-quinolinium]-4-olate
Smiles: Fc1ccc(cc1)N1C(=O)N=C(C2(C1=O)C[NH+](C)c1c(C2)cc(cc1)C)[O-]

STL051532
Synonyms: 2-{4-[2-(prop-2-en-1-yl)phenoxy]quinazolin-1-ium-2-yl}phenolate
Smiles: C=CCc1ccccc1Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STL051542
Synonyms: N-{[3-(trifluoromethyl)phenyl]carbamoyl}-L-valine
Smiles: O=C(N[C@H](C(=O)O)C(C)C)Nc1cccc(c1)C(F)(F)F

STL051554
Synonyms: 4-(4-bromophenyl)-1-cyclopentyl-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: Brc1ccc(cc1)C1SCC(=Nc2c1c(C)nn2C1CCCC1)O

STL051562
Synonyms: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-L-leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)Nc1ccc2c(c1)OCCO2)C

STL051565
Synonyms: 6-hydroxy-3-(2-methoxyphenyl)-1',6'-dimethyl-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4(3H)-dione
Smiles: COc1ccccc1N1C(=O)N=C(C2(C1=O)CN(C)c1c(C2)cc(cc1)C)O

STL051603
Synonyms: (4Z)-4-[(4-methylphenyl)imino]-6-[(quinolin-8-yloxy)methyl]-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: Cc1ccc(cc1)/N=c\1/[nH]c(COc2cccc3c2nccc3)nc(n1)N

STL051605
Synonyms: (5Z)-1-cyclopropyl-5-({[4-(propan-2-yl)phenyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CC(c1ccc(cc1)N/C=C\1/C(=O)N=C(N(C1=O)C1CC1)S)C

STL051607
Synonyms: 6,6'-disulfanediylbis[3,3-dimethyl-8-(morpholin-4-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile]
Smiles: N#Cc1c(SSc2nc(N3CCOCC3)c3c(c2C#N)CC(OC3)(C)C)nc(c2c1CC(C)(C)OC2)N1CCOCC1

STL051626
Synonyms: (E)-(5-methylfuran-2-yl){1'-[2-(morpholin-4-ium-4-yl)ethyl]-2,4',5'-trioxo-1-propyl-1,2-dihydro-3'H-spiro[indole-3,2'-pyrrolidin]-3'-ylidene}methanolate
Smiles: CCCN1c2ccccc2C2(C1=O)N(CC[NH+]1CCOCC1)C(=O)C(=O)/C/2=C(\c1ccc(o1)C)/[O-]

STL051628
Synonyms: 2-{[(E)-(1-cycloheptyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)methyl]amino}benzoicacid
Smiles: O=C1N=C(O)/C(=C\Nc2ccccc2C(=O)O)/C(=O)N1C1CCCCCC1

STL051631
Synonyms: N-[(2Z)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-[4-(9H-fluoren-9-yl)piperazin-1-yl]-4-oxobutanamide
Smiles: CCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)C2c3ccccc3c3c2cccc3)/s1

STL051632
Synonyms: N-[7-(4-chlorophenyl)-5-oxo-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methoxyacetamide
Smiles: COCC(=O)Nc1[nH]c2=NC(=O)CC(n2n1)c1ccc(cc1)Cl

STL051633
Synonyms: 1-(pentan-3-yl)-4-(2-propoxyphenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol
Smiles: CCCOc1ccccc1C1SCC(=Nc2c1c(O)nn2C(CC)CC)O

STL051656
Synonyms: 1-(heptan-4-yl)-4-methyl-1H-pyrazolo[3,4-b]pyridine-3,6-diol
Smiles: CCCC(n1nc(c2c1nc(O)cc2C)O)CCC

STL051665
Synonyms: 8-[(dimethylammonio)methyl]-4-oxo-3-[4-(propoxycarbonyl)phenoxy]-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: CCCOC(=O)c1ccc(cc1)Oc1c(=O)c2ccc(c(c2oc1C(F)(F)F)C[NH+](C)C)[O-]

STL051671
Synonyms: 2-amino-N-(butan-2-yl)-1-{[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]amino}-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Smiles: CCOc1cc(ccc1O)/C=N/n1c(N)c(c2c1nc1ccccc1n2)C(=O)NC(CC)C

STL051682
Synonyms: (E)-{2-[4-(benzyloxy)-3-ethoxyphenyl]-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Smiles: CCOc1cc(ccc1OCc1ccccc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CC[NH+]1CCOCC1

STL051685
Synonyms: N-[(2Z)-3-[(2-methoxyethyl)amino]quinoxalin-2(1H)-ylidene]-2,4-dimethylbenzenesulfonamide
Smiles: COCCNc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(cc1C)C

STL051686
Synonyms: 4-fluoro-N-[(2Z)-3-[(3-methylbutyl)amino]quinoxalin-2(1H)-ylidene]benzenesulfonamide
Smiles: CC(CCNc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(cc1)F)C

STL051700
Synonyms: (5E)-5-[(5-nitrofuran-2-yl)methylidene]-2-sulfanyl-1,3-thiazol-4(5H)-one
Smiles: [O-][N+](=O)c1ccc(o1)/C=C\1/SC(=NC1=O)S

STL051704
Synonyms: 5-(5-phenyl-1H-pyrazol-3-yl)-4-{[(E)-(2,3,4-trimethoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Smiles: COc1ccc(c(c1OC)OC)/C=N/n1c(S)nnc1c1n[nH]c(c1)c1ccccc1

STL051706
Synonyms: ethyl1-({(6Z)-4-amino-6-[(2-methoxyphenyl)imino]-1,6-dihydro-1,3,5-triazin-2-yl}methyl)piperidine-3-carboxylate
Smiles: CCOC(=O)C1CCCN(C1)Cc1nc(N)n/c(=N\c2ccccc2OC)/[nH]1

STL051729
Synonyms: N-[(2E)-5-(2-methoxyethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-nitrobenzamide
Smiles: COCCc1n[nH]/c(=N\C(=O)c2ccccc2[N+](=O)[O-])/s1

STL051730
Synonyms: [(3Z)-3-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(thiophen-2-yl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetate
Smiles: [O-]C(=O)CN1c2ccccc2/C(=N/NC(=O)c2nnn(c2c2cccs2)c2nonc2[NH3+])/C1=O

STL051732
Synonyms: 6-amino-3-(4-propoxyphenyl)-4-(pyridin-3-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: CCCOc1ccc(cc1)c1[nH]nc2c1C(c1cccnc1)C(=C(O2)N)C#N

STL051736
Synonyms: 4-oxo-3-[4-(propoxycarbonyl)phenoxy]-8-(pyrrolidinium-1-ylmethyl)-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: CCCOC(=O)c1ccc(cc1)Oc1c(=O)c2ccc(c(c2oc1C(F)(F)F)C[NH+]1CCCC1)[O-]

STL051738
Synonyms: 2-[(4-fluorophenyl)amino]-6-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidin-4-ol
Smiles: Fc1ccc(cc1)Nc1nc(CSc2nnnn2c2ccccc2)cc(n1)O

STL051745
Synonyms: 5-(diethylammonio)-2-[(E)-{2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetyl]hydrazinylidene}methyl]phenolate
Smiles: CC[NH+](c1ccc(c(c1)[O-])/C=N/NC(=O)Cn1nc(c(c1C)[N+](=O)[O-])C)CC

STL051756
Synonyms: (5E)-5-{1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]propylidene}-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
Smiles: C=CCN1C(=O)N=C(/C(=C(\Nc2c(C)n(n(c2=O)c2ccccc2)C)/CC)/C1=O)O

STL051757
Synonyms: (5E)-1-(4-fluorophenyl)-5-{[5-(morpholin-4-yl)furan-2-yl]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: Fc1ccc(cc1)N1C(=NC(=O)/C(=C\c2ccc(o2)N2CCOCC2)/C1=O)S

STL051769
Synonyms: 2-{4-[3-(trifluoromethyl)phenoxy]quinazolin-1-ium-2-yl}phenolate
Smiles: [O-]c1ccccc1c1nc(Oc2cccc(c2)C(F)(F)F)c2c([nH+]1)cccc2

STL051781
Synonyms: 6-(4-chlorophenyl)-3-(5-phenyl-1H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: Clc1ccc(cc1)C1=Nn2c(SC1)nnc2c1n[nH]c(c1)c1ccccc1

STL051786
Synonyms: 4-{[(3-hydroxypropyl)amino]methyl}quinolin-2(1H)-one
Smiles: OCCCNCc1cc(=O)[nH]c2c1cccc2

STL051789
Synonyms: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-ethyl[1]benzofuro[3,2-d]pyrimidin-4-amine
Smiles: CCc1nc(NCCC2=CCCCC2)c2c(n1)c1ccccc1o2

STL051803
Synonyms: 5-(2,3-dichlorobenzyl)-6-hydroxy-3-(4-methylphenyl)-5-[2-(pyridin-4-yl)ethyl]pyrimidine-2,4(3H,5H)-dione
Smiles: Cc1ccc(cc1)N1C(=O)N=C(C(C1=O)(CCc1ccncc1)Cc1cccc(c1Cl)Cl)O

STL051813
Synonyms: 7-(4-fluorobenzyl)-8-[(2Z)-2-(4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)hydrazinyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Fc1ccc(cc1)Cn1c(N/N=C/2\C(=O)NC(=O)N=C2O)nc2c1c(=O)n(c(=O)n2C)C

STL051818
Synonyms: (5E)-1-ethyl-5-[(1-propyl-1H-indol-3-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CCCn1cc(c2c1cccc2)/C=C/1\C(=O)N=C(N(C1=O)CC)S

STL051836
Synonyms: 4-{[(E)-(3-phenoxyphenyl)methylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Smiles: Sc1nnc(n1/N=C/c1cccc(c1)Oc1ccccc1)c1n[nH]c(c1)c1ccccc1

STL051839
Synonyms: (8E)-8-[(2Z)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)hydrazinylidene]-7-(2,3-dihydroxypropyl)-1,3-dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: OCC(Cn1/c(=N/N=C\2/C(=NC(=NC2=O)O)O)/[nH]c2c1c(=O)n(c(=O)n2C)C)O

STL051849
Synonyms: 4-bromo-N-[(2Z)-3-[(4-phenylquinolin-8-yl)amino]quinoxalin-2(1H)-ylidene]benzenesulfonamide
Smiles: Brc1ccc(cc1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1cccc2c1nccc2c1ccccc1

STL051852
Synonyms: 6-(biphenyl-4-yl)-3-(5-phenyl-1H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: c1ccc(cc1)c1ccc(cc1)C1=Nn2c(SC1)nnc2c1n[nH]c(c1)c1ccccc1

STL051869
Synonyms: 3-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(2,5-dimethoxyphenyl)-4,5-dioxopyrrolidin-1-yl]propanoicacid
Smiles: COc1ccc(cc1C1N(CCC(=O)O)C(=O)C(=O)/C/1=C(\c1ccc(cc1)Cl)/O)OC

STL051890
Synonyms: 4-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-[(2E)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
Smiles: O=C(/N=c/1\[nH]nc(s1)C)CCC(=O)N1CCN(CC1)C1c2ccccc2c2c1cccc2

STL051904
Synonyms: 3,3'-(biphenyl-4,4'-diyldiimino)bis(2-butanoyl-5,5-dimethylcyclohex-2-en-1-one)
Smiles: CCCC(=O)C1=C(Nc2ccc(cc2)c2ccc(cc2)NC2=C(C(=O)CCC)C(=O)CC(C2)(C)C)CC(CC1=O)(C)C

STL051907
Synonyms: 3-[(1Z)-1-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-{[(2-carbamoylphenyl)amino]methyl}-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)ethyl]phenolate
Smiles: [O-]c1cccc(c1)/C(=N\NC(=O)c1nnn(c1CNc1ccccc1C(=O)N)c1nonc1[NH3+])/C

STL051943
Synonyms: 6-hydroxy-3-methyl-8-(piperidin-1-yl)-7-[2-(pyrimidin-2-ylsulfanyl)ethyl]-3,7-dihydro-2H-purin-2-one
Smiles: Oc1nc(=O)n(c2c1n(CCSc1ncccn1)c(n2)N1CCCCC1)C

STL051949
Synonyms: N-cyclooctyl-N'-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
Smiles: CCCc1n[nH]/c(=N/C(=O)CCC(=O)NC2CCCCCCC2)/s1

STL051961
Synonyms: (4Z)-6-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}-4-[(4-methylphenyl)imino]-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: Cc1ccc(cc1)/N=c/1\nc(N)nc([nH]1)CSc1nccn1C

STL051962
Synonyms: 3-(4-methoxyphenyl)-1-[2-(4-methylphenyl)-2-oxoethyl]-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: COc1ccc(cc1)c1cn(c2[n+]1CCC2)CC(=O)c1ccc(cc1)C

STL051965
Synonyms: 4-{[(E)-furan-2-ylmethylidene]amino}-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Smiles: Cc1[nH]nc(c1)c1nnc(n1/N=C/c1ccco1)S

STL051967
Synonyms: 8-nitro-2',6'-dioxo-1',2,3,4,4a,6'-hexahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinolinium-5,5'-pyrimidin]-4'-olate
Smiles: O=C1NC(=O)C2(C(=N1)[O-])Cc1cc(ccc1[NH+]1C2CCCC1)[N+](=O)[O-]

STL051971
Synonyms: ethyl2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-[(4-methoxy-2-nitrophenyl)amino]pyrimidine-5-carboxylate
Smiles: CCOC(=O)c1cnc(nc1Nc1ccc(cc1[N+](=O)[O-])OC)n1nc(cc1C)C

STL051977
Synonyms: methylN-[(tetrahydrofuran-2-ylmethyl)carbamoyl]-L-phenylalaninate
Smiles: COC(=O)[C@H](Cc1ccccc1)NC(=O)NCC1CCCO1

STL051980
Synonyms: 2-{4-[4-(acetylamino)phenoxy]quinazolin-1-ium-2-yl}phenolate
Smiles: CC(=O)Nc1ccc(cc1)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STL051989
Synonyms: (2E)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]-3-(thiophen-2-yl)prop-2-enoate
Smiles: [O-]C(=O)/C(=C\c1cccs1)/Sc1[nH]nc([nH+]1)C

STL052016
Synonyms: 2-[4-(4-chloro-3-ethylphenoxy)quinazolin-1-ium-2-yl]phenolate
Smiles: CCc1cc(ccc1Cl)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STL052019
Synonyms: {(3E)-3-[hydroxy(phenyl)methylidene]-4,5-dioxo-2-phenylpyrrolidin-1-yl}aceticacid
Smiles: OC(=O)CN1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1ccccc1

STL052021
Synonyms: 4-[(5E)-5-(2,4-dimethoxybenzylidene)-4-hydroxy-2,6-dioxo-5,6-dihydropyrimidin-1(2H)-yl]benzoicacid
Smiles: COc1ccc(c(c1)OC)/C=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)C(=O)O)O

STL052028
Synonyms: N-[(3Z)-1-ethyl-6-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]propanamide
Smiles: CCC(=O)/N=c/1\[nH]n(c2c1cc1cc(C)ccc1n2)CC

STL052034
Synonyms: 5-(3-chloro-4-methylbenzyl)-4-hydroxy-1,3-thiazol-2(5H)-one
Smiles: O=C1N=C(C(S1)Cc1ccc(c(c1)Cl)C)O

STL052043
Synonyms: propyl{[3-cyano-6-hydroxy-4-(4-hydroxyphenyl)-4,5-dihydropyridin-2-yl]sulfanyl}acetate
Smiles: CCCOC(=O)CSC1=C(C#N)C(CC(=N1)O)c1ccc(cc1)O

STL052055
Synonyms: butyl[(2E)-5-(2-methoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
Smiles: CCCCOC(=O)/N=c/1\[nH]nc(s1)c1ccccc1OC

STL052057
Synonyms: (6Z)-6-[(2-methoxyphenyl)imino]-4-(trifluoromethyl)-1,6-dihydro-1,3,5-triazin-2-amine
Smiles: COc1ccccc1/N=c/1\nc(nc([nH]1)N)C(F)(F)F

STL052059
Synonyms: {[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetate
Smiles: COc1ccc(cc1)n1c(SCC(=O)[O-])[nH+]nc1c1ccc(cc1)Cl

STL052075
Synonyms: (3R)-N-cyclohexyl-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Smiles: O=C([C@@H]1CSC2N1C(=O)c1c2cccc1)NC1CCCCC1

STL052077
Synonyms: 4-hydroxy-6-oxo-1-[4-(propan-2-yl)phenyl]-5-(1,2,3,4-tetrahydroisoquinolinium-1-yl)-1,6-dihydropyrimidine-2-thiolate
Smiles: Oc1nc([S-])n(c(=O)c1C1[NH2+]CCc2c1cccc2)c1ccc(cc1)C(C)C

STL052078
Synonyms: (5E)-5-[(azepan-1-ylamino)methylidene]-1-(4-fluorophenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: Fc1ccc(cc1)N1C(=NC(=O)/C(=C\NN2CCCCCC2)/C1=O)S

STL052079
Synonyms: 4-fluoro-N-[(7E)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-ylidene]aniline
Smiles: Fc1ccc(cc1)/N=c/1\cc(C)[nH]c2n1ncn2

STL052087
Synonyms: 3-(4-chlorophenyl)-2-methyl-4-oxo-8-(pyrrolidinium-1-ylmethyl)-4H-chromen-7-olate
Smiles: Clc1ccc(cc1)c1c(C)oc2c(c1=O)ccc(c2C[NH+]1CCCC1)[O-]

STL052089
Synonyms: N-[(2Z)-5-(furan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-phenoxyacetamide
Smiles: O=C(/N=c\1/[nH]nc(s1)c1ccco1)COc1ccccc1

STL052095
Synonyms: 4-(furan-2-yl)-5-hydroxy-7,7-dimethyl-2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(SCC(=O)N2CCOCC2)N=C2C(=C(O)CC(C2)(C)C)C1c1ccco1

STL052098
Synonyms: ethyl4-[(4E)-[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylideneamino]benzoate
Smiles: CCOC(=O)c1ccc(cc1)/N=c\1/[nH]cnc2c1oc1c2cccc1

STL052099
Synonyms: N-[(2E)-5-(3-methoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-methylpropanamide
Smiles: COc1cccc(c1)c1n[nH]/c(=N\C(=O)C(C)C)/s1

STL052132
Synonyms: 2-[(2Z)-2-(2-amino-6-hydroxy-4-oxopyrimidin-5(4H)-ylidene)hydrazinyl]benzoicacid
Smiles: NC1=NC(=O)/C(=N\Nc2ccccc2C(=O)O)/C(=N1)O

STL052143
Synonyms: N-[(2Z)-5-cyclohexyl-1,3,4-thiadiazol-2(3H)-ylidene]-N'-(thiophen-2-ylmethyl)butanediamide
Smiles: O=C(NCc1cccs1)CCC(=O)/N=c\1/[nH]nc(s1)C1CCCCC1

STL052145
Synonyms: 6'-amino-3'-butyl-5-fluoro-2-oxo-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Smiles: CCCCc1[nH]nc2c1C1(C(=O)Nc3c1cc(F)cc3)C(=C(O2)N)C#N

STL052154
Synonyms: 4-hydroxy-5-[(2-phenylethyl)amino]pyrimidin-2(1H)-one
Smiles: Oc1nc(=O)[nH]cc1NCCc1ccccc1

STL052157
Synonyms: 5-[(1E)-N-(azepan-1-yl)ethanimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
Smiles: C/C(=N\N1CCCCCC1)/c1c(O)n(C)c(=O)n(c1=O)C

STL052158
Synonyms: (4Z)-6-[(3,5-dimethylpiperidin-1-yl)methyl]-4-(phenylimino)-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: CC1CN(CC(C1)C)Cc1nc(N)n/c(=N\c2ccccc2)/[nH]1

STL052163
Synonyms: 2-chloro-N-(4-methoxyphenyl)-N-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]acetamide
Smiles: ClCC(=O)N(c1ccc(cc1)OC)Cc1cc(=O)[nH]c2c1cccc2

STL052164
Synonyms: (1S)-3-methyl-1-{5-[(4-methylbenzyl)sulfonyl]-1,3,4-oxadiazol-2-yl}butan-1-amine
Smiles: CC(C[C@@H](c1nnc(o1)S(=O)(=O)Cc1ccc(cc1)C)N)C

STL052173
Synonyms: 3-{[(E)-(2-hydroxy-3-methyl-5-nitrophenyl)methylidene]amino}-2-methylquinazolin-4(3H)-one
Smiles: Cc1cc(cc(c1O)/C=N/n1c(C)nc2c(c1=O)cccc2)[N+](=O)[O-]

STL052181
Synonyms: 2-amino-7-(4-chlorophenyl)-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5(3H)-one
Smiles: Clc1ccc(cc1)C1CC(=O)N=c2n1nc([nH]2)N

STL052185
Synonyms: 3-(4-ethoxyphenyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine
Smiles: CCOc1ccc(cc1)c1nnc(n1N)SCc1ccc(cc1)[N+](=O)[O-]

STL052187
Synonyms: N,N'-propane-1,3-diylbis(5-hydroxypyridine-3-carboxamide)
Smiles: Oc1cncc(c1)C(=O)NCCCNC(=O)c1cncc(c1)O

STL052192
Synonyms: 4-[(2-phenyl[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]butanoicacid
Smiles: OC(=O)CCCNc1nc(nc2c1oc1c2cccc1)c1ccccc1

STL052203
Synonyms: [(6-{[(2Z)-4,6-di(morpholin-4-yl)-1,3,5-triazin-2(1H)-ylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetonitrile
Smiles: N#CCSc1nc2c(s1)cc(cc2)/N=c/1\nc(nc([nH]1)N1CCOCC1)N1CCOCC1

STL052212
Synonyms: N-[(2E)-5-(2-methoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]pentanamide
Smiles: CCCCC(=O)/N=c/1\[nH]nc(s1)c1ccccc1OC

STL052230
Synonyms: N-tert-butyl-N-[(2-oxo-1,2-dihydroquinolin-3-yl)methyl]furan-2-carboxamide
Smiles: O=C(N(C(C)(C)C)Cc1cc2ccccc2[nH]c1=O)c1ccco1

STL052232
Synonyms: 2-(4-fluorophenyl)-12-(4-methoxyphenyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3-ium-9-olate
Smiles: COc1ccc(cc1)C1c2ccc(cc2Oc2c1c1nc([nH+]n1cn2)c1ccc(cc1)F)[O-]

STL052235
Synonyms: 2-(3-methylphenyl)-12-phenyl-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3-ium-9-olate
Smiles: [O-]c1ccc2c(c1)Oc1c(C2c2ccccc2)c2nc([nH+]n2cn1)c1cccc(c1)C

STL052237
Synonyms: 1',2'-bis[(4-chlorophenyl)carbonyl]-5'-methyl-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one
Smiles: Clc1ccc(cc1)C(=O)C1N2c3ccccc3C(=CC2C2(C1C(=O)c1ccc(cc1)Cl)C(=O)Nc1c2cccc1)C

STL052248
Synonyms: 4,6-dichloro-3-hydroxy-3-[2-oxo-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]-1,3-dihydro-2H-indol-2-one
Smiles: Clc1cc(Cl)c2c(c1)NC(=O)C2(O)CC(=O)C12CC3CC(C2)CC(C1)C3

STL052252
Synonyms: tert-butyl{(1S)-1-[6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-2-methylpropyl}carbamate
Smiles: O=C(OC(C)(C)C)N[C@H](c1nnc2n1N=C(CS2)c1ccc(cc1)Cl)C(C)C

STL052264
Synonyms: (5E)-1-(3-chloro-4-methylphenyl)-5-({[3-(morpholin-4-ium-4-yl)propyl]amino}methylidene)-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: O=C1N=C([O-])/C(=C\NCCC[NH+]2CCOCC2)/C(=O)N1c1ccc(c(c1)Cl)C

STL052265
Synonyms: 2-{[4-(4-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)CSc1nnc(n1c1ccc(cc1)Cl)c1cccnc1

STL052278
Synonyms: 1-(1-ethoxy-4-hydroxy-3-phenylpyrrolo[1,2-a]quinoxalin-2-yl)ethanone
Smiles: CCOc1n2c(c(c1C(=O)C)c1ccccc1)c(O)nc1c2cccc1

STL052299
Synonyms: 2-[(2-methylphenoxy)methyl]-12-phenyl-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3-ium-9-olate
Smiles: [O-]c1ccc2c(c1)Oc1c(C2c2ccccc2)c2nc([nH+]n2cn1)COc1ccccc1C

STL052308
Synonyms: 4-(2-methoxyphenyl)-1,3-diphenyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: COc1ccccc1C1SCC(=Nc2c1c(nn2c1ccccc1)c1ccccc1)O

STL052319
Synonyms: (2Z)-3-(2,5-dimethoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: COc1ccc(cc1/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C)OC

STL052320
Synonyms: 2-ethyl-4-(4-phenylpiperazin-1-yl)[1]benzofuro[3,2-d]pyrimidine
Smiles: CCc1nc(N2CCN(CC2)c2ccccc2)c2c(n1)c1ccccc1o2

STL052323
Synonyms: 3-{[(3Z)-3-{[(3-methylphenyl)sulfonyl]imino}-3,4-dihydroquinoxalin-2-yl]amino}benzoicacid
Smiles: Cc1cccc(c1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1cccc(c1)C(=O)O

STL052324
Synonyms: methylN-[(2,3-dimethylphenyl)carbamoyl]-L-valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)Nc1cccc(c1C)C

STL052338
Synonyms: (2E)-2-[(4-methoxyphenyl)imino]-6-(4-methylpiperazin-1-yl)-5-nitro-1,2-dihydropyrimidin-4-amine
Smiles: COc1ccc(cc1)/N=c\1/nc(N)c(c([nH]1)N1CCN(CC1)C)[N+](=O)[O-]

STL052339
Synonyms: N-[(2-methylpropyl)carbamoyl]-D-phenylalanine
Smiles: CC(CNC(=O)N[C@@H](C(=O)O)Cc1ccccc1)C

STL052348
Synonyms: 2-methyl-4-(2-methylpiperidin-1-yl)[1]benzofuro[3,2-d]pyrimidine
Smiles: Cc1nc(N2CCCCC2C)c2c(n1)c1ccccc1o2

STL052355
Synonyms: (5E)-2-hydroxy-6-oxo-5-(1-{[2-(piperazin-1-ium-1-yl)ethyl]amino}ethylidene)-5,6-dihydropyrimidin-4-olate
Smiles: OC1=NC(=O)/C(=C(/NCC[NH+]2CCNCC2)\C)/C(=N1)[O-]

STL052356
Synonyms: 2-{[2-(diethylamino)ethyl]sulfanyl}-6-hydroxy-3-(2-methylphenyl)pyrimidin-4(3H)-one
Smiles: CCN(CCSc1nc(O)cc(=O)n1c1ccccc1C)CC

STL052360
Synonyms: (2E)-3-[3-(benzyloxy)phenyl]-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: [O-]C(=O)/C(=C\c1cccc(c1)OCc1ccccc1)/Sc1[nH]nc([nH+]1)C

STL052362
Synonyms: N-[(8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-propylacetamide
Smiles: CCCN(C(=O)C)Cc1cc2cccc(c2[nH]c1=O)C

STL052367
Synonyms: N-[(2Z)-5-(2-ethoxyethyl)-1,3,4-thiadiazol-2(3H)-ylidene]cyclohexanecarboxamide
Smiles: CCOCCc1n[nH]/c(=N/C(=O)C2CCCCC2)/s1

STL052374
Synonyms: 4-[4-(2-fluorophenyl)piperazin-1-yl]-2-methyl[1]benzofuro[3,2-d]pyrimidine
Smiles: Cc1nc(N2CCN(CC2)c2ccccc2F)c2c(n1)c1ccccc1o2

STL052379
Synonyms: 6-hydroxy-7-(2-hydroxyethyl)-3-methyl-8-[(4-methylphenyl)amino]-3,7-dihydro-2H-purin-2-one
Smiles: OCCn1c(Nc2ccc(cc2)C)nc2c1c(O)nc(=O)n2C

STL052389
Synonyms: (2E)-1-(3-bromophenyl)-2-(3-hydroxyquinoxalin-2(1H)-ylidene)ethanone
Smiles: Brc1cccc(c1)C(=O)/C=c\1/[nH]c2ccccc2nc1O

STL052399
Synonyms: 6-amino-N'-[(E)-(2-chloro-7-methylquinolin-3-yl)methylidene]hexanehydrazide
Smiles: NCCCCCC(=O)N/N=C/c1cc2ccc(cc2nc1Cl)C

STL052401
Synonyms: 2-[7-(4-chlorophenyl)-5-oxo-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-1H-isoindole-1,3(2H)-dione
Smiles: O=C1CC(c2ccc(cc2)Cl)n2c(=N1)[nH]c(n2)N1C(=O)c2c(C1=O)cccc2

STL052405
Synonyms: (8E)-7-[(2E)-3-chlorobut-2-en-1-yl]-1,3-dimethyl-8-{(2E)-[(3E)-4-phenylbut-3-en-2-ylidene]hydrazinylidene}-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: C/C(=C\Cn1/c(=N/N=C(/C=C/c2ccccc2)\C)/[nH]c2c1c(=O)n(c(=O)n2C)C)/Cl

STL052416
Synonyms: 1-(butan-2-yl)-4-(2-methoxyphenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol
Smiles: CCC(n1nc(c2c1N=C(O)CSC2c1ccccc1OC)O)C

STL052418
Synonyms: 4-[4-(5-chloro-2-methoxybenzyl)piperazin-1-yl]-N-[(2Z)-5-cyclohexyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
Smiles: COc1ccc(cc1CN1CCN(CC1)C(=O)CCC(=O)/N=c\1/[nH]nc(s1)C1CCCCC1)Cl

STL052425
Synonyms: 3-(4-chlorophenyl)-1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: Clc1ccc(cc1)c1cn(c2[n+]1CCC2)CC(=O)c1ccc(c(c1)C)C

STL052432
Synonyms: 3-[(ethylamino)methyl]-6-methoxyquinolin-2(1H)-one
Smiles: CCNCc1cc2cc(OC)ccc2[nH]c1=O

STL052433
Synonyms: (8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl2-ethoxybenzoate
Smiles: CCOc1ccccc1C(=O)OCc1cc2cccc(c2[nH]c1=O)C

STL052437
Synonyms: 5-[(1E)-N-(4-fluorophenyl)propanimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
Smiles: CC/C(=N\c1ccc(cc1)F)/c1c(O)n(C)c(=O)n(c1=O)C

STL052442
Synonyms: 2-ethyl-N-(morpholin-4-yl)[1]benzofuro[3,2-d]pyrimidin-4-amine
Smiles: CCc1nc(NN2CCOCC2)c2c(n1)c1ccccc1o2

STL052446
Synonyms: (2Z)-2-[(4-methoxyphenyl)imino]-7-methyl-2,6,7,8-tetrahydroquinazolin-5(1H)-one
Smiles: COc1ccc(cc1)/N=c/1\ncc2c([nH]1)CC(CC2=O)C

STL052453
Synonyms: 2-[(4-methylbenzyl)sulfanyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole
Smiles: Cc1ccc(cc1)CSc1nnc(o1)[C@@H]1CCCN1

STL052473
Synonyms: (5E)-1-(4-fluorobenzyl)-5-({[2-(morpholin-4-ium-4-yl)ethyl]amino}methylidene)-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate
Smiles: Fc1ccc(cc1)CN1C(=NC(=O)/C(=C\NCC[NH+]2CCOCC2)/C1=O)[S-]

STL052484
Synonyms: 6-(2,6-dimethoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1cccc(c1c1sc2n(n1)c(nn2)c1n[nH]c(c1)c1ccccc1)OC

STL052485
Synonyms: N-[(2-hydroxyquinolin-4-yl)methyl]-N,2-dimethylpropanamide
Smiles: O=C(N(Cc1cc(O)nc2c1cccc2)C)C(C)C

STL052486
Synonyms: (5E)-3-butyl-5-{1-[(2,4-dimethoxyphenyl)amino]propylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: CCCCN1C(=O)N=C(/C(=C(\Nc2ccc(cc2OC)OC)/CC)/C1=O)O

STL052487
Synonyms: 2-(2-methoxyphenoxy)-N-[(2Z)-5-(4-methoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]acetamide
Smiles: COc1ccc(cc1)c1n[nH]/c(=N/C(=O)COc2ccccc2OC)/s1

STL052496
Synonyms: (2Z)-2-[(3,5-dichlorophenyl)imino]-7-phenyl-2,6,7,8-tetrahydroquinazolin-5(1H)-one
Smiles: Clc1cc(Cl)cc(c1)/N=c/1\ncc2c([nH]1)CC(CC2=O)c1ccccc1

STL052500
Synonyms: 1-(3-chloro-4-methylphenyl)-1',6'-dimethyl-2,6-dioxo-1,1',4',6-tetrahydro-2H,2'H-spiro[pyrimidine-5,3'-quinolinium]-4-olate
Smiles: Cc1ccc2c(c1)CC1(C[NH+]2C)C(=NC(=O)N(C1=O)c1ccc(c(c1)Cl)C)[O-]

STL052508
Synonyms: 4-{[(E)-(2-methoxyphenyl)methylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Smiles: COc1ccccc1/C=N/n1c(S)nnc1c1n[nH]c(c1)c1ccccc1

STL052509
Synonyms: 2-chloro-N-[(3Z)-1-ethyl-6-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]benzamide
Smiles: CCn1[nH]/c(=N\C(=O)c2ccccc2Cl)/c2c1nc1ccc(cc1c2)C

STL052511
Synonyms: 3-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-6-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Smiles: COc1cc(cc(c1OC)OC)c1nn2c(s1)nnc2c1[nH]nc2c1CCC2

STL052521
Synonyms: 5-(3-chlorophenyl)-4-{[(E)-(3-hydroxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Oc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1cccc(c1)Cl

STL052524
Synonyms: 2-({5-[(1S)-1-amino-3-(methylsulfanyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(2,6-dimethylphenyl)acetamide
Smiles: CSCC[C@@H](c1nnc(o1)SCC(=O)Nc1c(C)cccc1C)N

STL052531
Synonyms: N-(3,4-dimethylphenyl)-N'-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
Smiles: CCCc1n[nH]/c(=N/C(=O)CCC(=O)Nc2ccc(c(c2)C)C)/s1

STL052532
Synonyms: 2-[(7-methoxy-4-methylquinazolin-2-yl)amino]-6-propylpyrimidin-4-ol
Smiles: CCCc1nc(nc(c1)O)Nc1nc(C)c2c(n1)cc(cc2)OC

STL052539
Synonyms: ethylN-({[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate
Smiles: C=CCn1c(SCC(=O)NCC(=O)OCC)nnc1c1cccc(c1)Cl

STL052541
Synonyms: 2-{[(2E)-6-[(2-carboxylatophenyl)amino]pyrimidin-2(1H)-ylidene]amino}benzoate
Smiles: [O-]C(=O)c1ccccc1Nc1ccn/c(=N/c2ccccc2C(=O)[O-])/[nH]1

STL052548
Synonyms: 3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2(1H)-one
Smiles: Cc1onc(n1)c1cc2ccccc2[nH]c1=O

STL052549
Synonyms: 2,2'-{[2-(3-chloro-1-benzothiophen-2-yl)imidazolidinediium-1,3-diyl]dimethanediyl}diphenolate
Smiles: [O-]c1ccccc1C[NH+]1CC[NH+](C1c1sc2c(c1Cl)cccc2)Cc1ccccc1[O-]

STL052552
Synonyms: 6-(3,5-dimethylpiperidin-1-yl)-N~2~,N~2~-dimethyl-5-nitropyrimidine-2,4-diamine
Smiles: CC1CC(C)CN(C1)c1nc(nc(c1[N+](=O)[O-])N)N(C)C

STL052555
Synonyms: N-(3,4-difluorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)F)F)CSc1nnc(n1Cc1ccco1)c1cccc(c1)C

STL052558
Synonyms: N-(4-{[(1E)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)propyl]amino}phenyl)acetamide
Smiles: CC/C(=C\1/C(=NC(=NC1=O)O)O)/Nc1ccc(cc1)NC(=O)C

STL052582
Synonyms: (2Z)-2-[(2-methoxyphenyl)imino]-7-phenyl-2,6,7,8-tetrahydroquinazolin-5(1H)-one
Smiles: COc1ccccc1/N=c/1\ncc2c([nH]1)CC(CC2=O)c1ccccc1

STL052608
Synonyms: 2-hydroxy-1,9-dimethyl-8-propyl-1,9-dihydro-6H-purin-6-one
Smiles: CCCc1nc2c(n1C)nc(n(c2=O)C)O

STL052610
Synonyms: 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-(phenylcarbamothioyl)piperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylicacid
Smiles: COc1c(N2CCN(C(C2)C)C(=S)Nc2ccccc2)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1

STL052630
Synonyms: 4-[2-(4-chlorophenyl)-5-(4-fluorophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]-2-methoxyphenylbenzoate
Smiles: COc1cc(ccc1OC(=O)c1ccccc1)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)F)c1ccc(cc1)Cl

STL052632
Synonyms: (2Z)-3-{3-[(4-chlorobenzyl)oxy]phenyl}-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: Clc1ccc(cc1)COc1cccc(c1)/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C

STL052642
Synonyms: 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-(3-nitrophenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol
Smiles: OC1=Nc2c(C(SC1)c1cccc(c1)[N+](=O)[O-])c(nn2C1CCOC(C1)(C)C)O

STL052657
Synonyms: 2-[4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
Smiles: OCCN1CCN(CC1)c1ncnc2c1oc1c2cccc1

STL052658
Synonyms: N'-[(E)-(5-chloro-2-hydroxyphenyl)methylidene]-2-[(2-methyl-4-oxoquinazolin-3(4H)-yl)oxy]acetohydrazide
Smiles: O=C(COn1c(C)nc2c(c1=O)cccc2)N/N=C/c1cc(Cl)ccc1O

STL052659
Synonyms: N-[(2E)-5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2(3H)-ylidene]furan-2-carboxamide
Smiles: Fc1ccc(cc1)OCc1n[nH]/c(=N\C(=O)c2ccco2)/s1

STL052666
Synonyms: 1-(pentan-2-yl)-4-(2-propoxyphenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol
Smiles: CCCOc1ccccc1C1SCC(=Nc2c1c(O)nn2C(CCC)C)O

STL052680
Synonyms: (5E)-1-(2-fluorophenyl)-5-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CC1=NN(C(=O)C1/C=C/1\C(=O)N=C(N(C1=O)c1ccccc1F)S)c1ccccc1

STL052686
Synonyms: 2-methyl-N-[(2E)-5-(pyridin-3-yl)-1,3,4-thiadiazol-2(3H)-ylidene]propanamide
Smiles: O=C(C(C)C)/N=c/1\[nH]nc(s1)c1cccnc1

STL052693
Synonyms: 6-(4-methoxyphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: COc1ccc(cc1)C1=Nn2c(SC1)nnc2c1n[nH]c(c1)c1ccccc1

STL052697
Synonyms: 2-{4-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]quinazolin-1-ium-2-yl}phenolate
Smiles: C=CCc1ccc(c(c1)OC)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STL052701
Synonyms: N-(5-oxo-7-phenyl-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyridine-4-carboxamide
Smiles: O=C1N=c2[nH]c(nn2C(C1)c1ccccc1)NC(=O)c1ccncc1

STL052705
Synonyms: (5Z)-5-{1-[(2,4-dimethoxyphenyl)amino]ethylidene}-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
Smiles: C=CCN1C(=O)N=C(/C(=C(/Nc2ccc(cc2OC)OC)\C)/C1=O)O

STL052709
Synonyms: 3-(4-bromophenyl)tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-imine5,5-dioxide
Smiles: N=C1SC2C(N1c1ccc(cc1)Br)CS(=O)(=O)C2

STL052718
Synonyms: (2Z)-3-(3-methoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: COc1cccc(c1)/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C

STL052721
Synonyms: N-(2-{2-[(Z)-(1-cyclohexyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)methyl]-1H-indol-3-yl}ethyl)acetamide
Smiles: CC(=O)NCCc1c(/C=C\2/C(=NC(=O)N(C2=O)C2CCCCC2)O)[nH]c2c1cccc2

STL052724
Synonyms: 4-[4-(5-fluoro-2-methoxybenzyl)piperazin-1-yl]-N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
Smiles: COc1ccc(cc1CN1CCN(CC1)C(=O)CCC(=O)/N=c\1/[nH]nc(s1)CC(C)C)F

STL052725
Synonyms: 1-[2-(4-fluorophenyl)ethyl]-1',6'-dimethyl-2,6-dioxo-1,1',4',6-tetrahydro-2H,2'H-spiro[pyrimidine-5,3'-quinolinium]-4-olate
Smiles: Fc1ccc(cc1)CCN1C(=O)N=C(C2(C1=O)Cc1cc(C)ccc1[NH+](C2)C)[O-]

STL052736
Synonyms: (E)-{2-[4-(dimethylamino)phenyl]-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)N(C)C)CCCn1c[nH+]cc1)/[O-]

STL052744
Synonyms: ethyl{(5Z)-5-[(phenylcarbonyl)imino]-4,5-dihydro-1,3,4-thiadiazol-2-yl}acetate
Smiles: CCOC(=O)Cc1n[nH]/c(=N/C(=O)c2ccccc2)/s1

STL052752
Synonyms:
Smiles: CCCCOCCCNC(=O)N[C@@H](C(CC)C)C(=O)O

STL052756
Synonyms: 3-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6,6-dimethyl-1-phenyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione
Smiles: O=C1CC(C)(C)CC2=C1C(C(=O)N2c1ccccc1)(c1c(C)nn(c1O)c1ccccc1)C(F)(F)F

STL052768
Synonyms: 6-amino-4-(2,5-dimethoxyphenyl)-3-(4-ethoxy-3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Smiles: CCOc1ccc(cc1OC)c1[nH]nc2c1C(C(=C(O2)N)C#N)c1cc(OC)ccc1OC

STL052782
Synonyms: N-(4-methoxyphenyl)-4-{[(3Z)-3-{[(4-nitrophenyl)sulfonyl]imino}-3,4-dihydroquinoxalin-2-yl]amino}benzamide
Smiles: COc1ccc(cc1)NC(=O)c1ccc(cc1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]

STL052789
Synonyms: 4-[(4Z)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-ylideneamino]benzamide
Smiles: NC(=O)c1ccc(cc1)/N=c/1\[nH]cnc2c1c1CCCCc1s2

STL052812
Synonyms: tert-butyl[(1S)-1-{5-[(4-methylbenzyl)sulfonyl]-1,3,4-oxadiazol-2-yl}ethyl]carbamate
Smiles: O=C(OC(C)(C)C)N[C@H](c1nnc(o1)S(=O)(=O)Cc1ccc(cc1)C)C

STL052825
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)Nc1ccc(c(c1)Cl)C)C

STL052840
Synonyms: methyl6'-amino-1-(2-chlorobenzyl)-3'-methyl-2-oxo-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate
Smiles: COC(=O)C1=C(N)Oc2c(C31C(=O)N(c1c3cccc1)Cc1ccccc1Cl)c(C)[nH]n2

STL052857
Synonyms: 4-{[(E)-(2-methylphenyl)methylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Smiles: Cc1ccccc1/C=N/n1c(S)nnc1c1n[nH]c(c1)c1ccccc1

STL052877
Synonyms: (5Z)-3-tert-butyl-5-{[(2,5-dimethoxyphenyl)amino]methylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: COc1ccc(cc1N/C=C\1/C(=NC(=O)N(C1=O)C(C)(C)C)O)OC

STL052879
Synonyms: N-[(2-methoxyethyl)carbamoyl]-D-phenylalanine
Smiles: COCCNC(=O)N[C@@H](C(=O)O)Cc1ccccc1

STL052887
Synonyms: (2Z)-2-[(4,6-dimethylpyrimidin-2-yl)imino]-6-hydroxy-3-(4-methoxyphenyl)-2,3,4,5-tetrahydropyrimidine-4-carboxylicacid
Smiles: COc1ccc(cc1)N1/C(=N/c2nc(C)cc(n2)C)/N=C(CC1C(=O)O)O

STL052891
Synonyms: 2-(5-methyl-2-oxotetrahydrofuran-3-yl)-N-[(2E)-4-phenyl-1,3-thiazol-2(3H)-ylidene]acetamide
Smiles: CC1CC(C(=O)O1)CC(=O)/N=c\1/scc([nH]1)c1ccccc1

STL052903
Synonyms: 6-methoxy-3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]quinolin-2(1H)-one
Smiles: COc1cccc(c1)c1onc(n1)c1cc2cc(OC)ccc2[nH]c1=O

STL052906
Synonyms: (2E)-7-(4-methoxyphenyl)-2-[(4-methoxyphenyl)imino]-2,6,7,8-tetrahydroquinazolin-5(1H)-one
Smiles: COc1ccc(cc1)/N=c\1/ncc2c([nH]1)CC(CC2=O)c1ccc(cc1)OC

STL052918
Synonyms: (E)-[4,5-dioxo-1-(pyridinium-3-ylmethyl)-2-(pyridin-4-yl)pyrrolidin-3-ylidene][4-(prop-2-en-1-yloxy)phenyl]methanolate
Smiles: C=CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccncc1)Cc1ccc[nH+]c1)/[O-]

STL052921
Synonyms: 4-(4-methylphenyl)-1-(pentan-2-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol
Smiles: CCCC(n1nc(c2c1N=C(O)CSC2c1ccc(cc1)C)O)C

STL052932
Synonyms: 4-{[7-(4-chlorophenyl)-5-oxo-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino}-4-oxobutanoicacid
Smiles: O=C(Nc1nn2c(=NC(=O)CC2c2ccc(cc2)Cl)[nH]1)CCC(=O)O

STL052946
Synonyms: 4-(6-ethyl-1,3-dimethyl-2,4-dioxo-7-phenyl-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-9-ium-8-yl)phenolate
Smiles: CCc1c(c2ccccc2)n(c2n1c1c([nH+]2)n(C)c(=O)n(c1=O)C)c1ccc(cc1)[O-]

STL052948
Synonyms: (2Z)-3-oxo-2-(pyridinium-4-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Smiles: [O-]c1ccc2c(c1)O/C(=C\c1cc[nH+]cc1)/C2=O

STL052950
Synonyms: methylN-[(4-phenylbutan-2-yl)carbamoyl]-L-phenylalaninate
Smiles: COC(=O)[C@H](Cc1ccccc1)NC(=O)NC(CCc1ccccc1)C

STL052966
Synonyms: N-[(2Z)-3-(cyclohexylamino)quinoxalin-2(1H)-ylidene]thiophene-2-sulfonamide
Smiles: O=S(=O)(c1cccs1)/N=c/1\[nH]c2ccccc2nc1NC1CCCCC1

STL052967
Synonyms: 2,6-dimethoxy-4-{(E)-[2-(4-methylquinolin-2-yl)hydrazinylidene]methyl}phenylacetate
Smiles: COc1cc(/C=N/Nc2cc(C)c3c(n2)cccc3)cc(c1OC(=O)C)OC

STL052974
Synonyms: (2S)-N'-[(E)-quinolin-8-ylmethylidene]pyrrolidine-2-carbohydrazide(non-preferredname)
Smiles: O=C([C@@H]1CCCN1)N/N=C/c1cccc2c1nccc2

STL052981
Synonyms: 3,6-dichloro-N-[(2E)-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2(3H)-ylidene]-1-benzothiophene-2-carboxamide
Smiles: COc1cc(ccc1OC)c1cs/c(=N/C(=O)c2sc3c(c2Cl)ccc(c3)Cl)/[nH]1

STL052983
Synonyms: methylN-acetyl-N-(4-{[(3Z)-3-{[(4-chlorophenyl)sulfonyl]imino}-3,4-dihydroquinoxalin-2-yl]amino}phenyl)-beta-alaninate
Smiles: COC(=O)CCN(c1ccc(cc1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(cc1)Cl)C(=O)C

STL052989
Synonyms: 2-[(2-methylbenzyl)sulfanyl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole
Smiles: Cc1ccccc1CSc1nnc(o1)[C@@H]1CCCN1

STL052993
Synonyms: (5Z)-1-heptyl-5-({[3-(morpholin-4-ium-4-yl)propyl]amino}methylidene)-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: CCCCCCCN1C(=O)N=C(/C(=C/NCCC[NH+]2CCOCC2)/C1=O)[O-]

STL052995
Synonyms: 3-(3-methoxyphenoxy)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-4H-chromen-7-olate
Smiles: COc1cccc(c1)Oc1coc2c(c1=O)ccc(c2C[NH+]1CCN(CC1)C)[O-]

STL052996
Synonyms: 4-{[(1E)-1-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)propyl]amino}benzoicacid
Smiles: CC/C(=C\1/C(=NC(=NC1=O)O)O)/Nc1ccc(cc1)C(=O)O

STL053003
Synonyms: 4-hydroxy-9-(4-methoxyphenyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purin-2(1H)-one
Smiles: COc1ccc(cc1)N1CC(C)Cn2c1nc1c2c(O)nc(=O)n1C

STL053004
Synonyms:
Smiles: [O-][N+](=O)c1c(NCCCC)ccc2c1nsn2

STL053015
Synonyms: N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2,6-dioxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl}propanamide
Smiles: CCC(=O)NC1(C(=O)Nc2c1c(O)nc(=O)n2CCc1ccc(c(c1)OC)OC)C(F)(F)F

STL053019
Synonyms: 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N'-[(E)-(4-methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1ccc(cc1)/C=N/NC(=O)Cn1nc(c(c1C)[N+](=O)[O-])C

STL053021
Synonyms: 4-(azepan-1-yl)-N-[(2Z)-5-cyclohexyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
Smiles: O=C(/N=c\1/[nH]nc(s1)C1CCCCC1)CCC(=O)N1CCCCCC1

STL053022
Synonyms: 8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-olate
Smiles: CCN1CC[NH+](CC1)Cc1c([O-])ccc2c1occ(c2=O)c1ccc(cc1)OC

STL053026
Synonyms: 2-({5-[(1S)-1-aminoethyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(2-ethylphenyl)acetamide
Smiles: CCc1ccccc1NC(=O)CSc1nnc(o1)[C@@H](N)C

STL053028
Synonyms: (8-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl4-ethoxybenzoate
Smiles: CCOc1ccc(cc1)C(=O)OCc1cc2cccc(c2[nH]c1=O)C

STL053036
Synonyms: 4-(1-azabicyclo[2.2.2]oct-2-ylmethyl)phenol
Smiles: Oc1ccc(cc1)CC1CC2CCN1CC2

STL053039
Synonyms: N-{(E)-[1-(4-chlorophenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}methionine
Smiles: CSCCC(C(=O)O)N/C=C/1\C(=O)N=C(N(C1=O)c1ccc(cc1)Cl)S

STL053066
Synonyms: 2-{4-[4-(propan-2-yl)phenoxy]quinazolin-1-ium-2-yl}phenolate
Smiles: [O-]c1ccccc1c1nc(Oc2ccc(cc2)C(C)C)c2c([nH+]1)cccc2

STL053068
Synonyms: 2-(4-benzylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-4-ol
Smiles: Oc1nc(nc2c1CCCC2)N1CCN(CC1)Cc1ccccc1

STL053081
Synonyms: 4-{(3E)-2-(4-fluorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}benzenesulfonamide
Smiles: Fc1ccc(cc1)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1ccc(cc1)S(=O)(=O)N

STL053093
Synonyms: N-[(2E)-6-(ethylsulfamoyl)-1,3-benzothiazol-2(3H)-ylidene]pyridine-4-carboxamide
Smiles: CCNS(=O)(=O)c1ccc2c(c1)s/c(=N/C(=O)c1ccncc1)/[nH]2

STL053094
Synonyms: 4-{[(E)-(2-hydroxyphenyl)methylidene]amino}-5-(pyridin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Oc1ccccc1/C=N/n1c(=S)[nH]nc1c1ccccn1

STL053096
Synonyms: (5Z)-5-{1-[(3,5-dimethoxybenzyl)amino]propylidene}-2,6-dihydroxypyrimidin-4(5H)-one
Smiles: COc1cc(CN/C(=C\2/C(=NC(=NC2=O)O)O)/CC)cc(c1)OC

STL053106
Synonyms: 2-(4-chlorophenoxy)-N-[7-(4-chlorophenyl)-5-oxo-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide
Smiles: Clc1ccc(cc1)OCC(=O)Nc1nn2c(=NC(=O)CC2c2ccc(cc2)Cl)[nH]1

STL053107
Synonyms:
Smiles: CCC([C@@H](C(=O)OC)NC(=O)NCc1ccc(cc1)Cl)C

STL053115
Synonyms:
Smiles: CCC([C@@H](C(=O)OC)NC(=O)NCc1ccccn1)C

STL053116
Synonyms: 3-({(1E)-1-[1-(4-chlorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]propyl}amino)benzoicacid
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)Cl)O)/Nc1cccc(c1)C(=O)O

STL053117
Synonyms: N-{(E)-[4-hydroxy-1-(naphthalen-1-yl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}tryptophan
Smiles: OC(=O)C(Cc1c[nH]c2c1cccc2)N/C=C/1\C(=NC(=O)N(C1=O)c1cccc2c1cccc2)O

STL053132
Synonyms: (5E)-5-{1-[(1-benzylpiperidinium-4-yl)amino]ethylidene}-4,6-dioxo-1-(prop-2-en-1-yl)-1,4,5,6-tetrahydropyrimidin-2-olate
Smiles: C=CCN1C(=NC(=O)/C(=C(\NC2CC[NH+](CC2)Cc2ccccc2)/C)/C1=O)[O-]

STL053135
Synonyms: 2-ethyl4-methyl5-[3-{3-methoxy-4-[(phenylcarbonyl)oxy]phenyl}-2-(3-nitrophenyl)-4,6-dioxohexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-3-methylthiophene-2,4-dicarboxylate
Smiles: CCOC(=O)c1sc(c(c1C)C(=O)OC)N1C(=O)C2C(C1=O)C(N(O2)c1cccc(c1)[N+](=O)[O-])c1ccc(c(c1)OC)OC(=O)c1ccccc1

STL053138
Synonyms: (2E)-3-(4-ethoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: CCOc1ccc(cc1)/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C

STL053140
Synonyms: 4-oxo-4-[2-(4-{3-oxo-3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-ium-1-yl)ethoxy]butanoate
Smiles: [O-]C(=O)CCC(=O)OCC[NH+]1CCN(CC1)CCC(=O)N1c2ccccc2Sc2c1cc(cc2)C(F)(F)F

STL053155
Synonyms: (2Z)-6-(azepan-1-yl)-2-[(4-methoxyphenyl)imino]-5-nitro-1,2-dihydropyrimidin-4-amine
Smiles: COc1ccc(cc1)/N=c/1\nc(N)c(c([nH]1)N1CCCCCC1)[N+](=O)[O-]

STL053173
Synonyms: 3,4,5-trimethoxy-N-[(3Z)-7-methyl-1-propyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]benzamide
Smiles: CCCn1[nH]/c(=N\C(=O)c2cc(OC)c(c(c2)OC)OC)/c2c1nc1cc(C)ccc1c2

STL053183
Synonyms: 4-{[(1E)-1-(1-butyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)ethyl]amino}benzoicacid
Smiles: CCCCN1C(=O)N=C(/C(=C(\Nc2ccc(cc2)C(=O)O)/C)/C1=O)O

STL053185
Synonyms: N-[(3Z)-1-ethyl-6-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-4-methoxybenzamide
Smiles: COc1ccc(cc1)C(=O)/N=c/1\[nH]n(c2c1cc1cc(C)ccc1n2)CC

STL053187
Synonyms: N-[(4-phenoxyphenyl)carbamoyl]-L-methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)Nc1ccc(cc1)Oc1ccccc1

STL053201
Synonyms: (1S)-1-[6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-2-phenylethanamine
Smiles: Clc1ccc(cc1)C1=Nn2c(SC1)nnc2[C@H](Cc1ccccc1)N

STL053203
Synonyms: N'-{(1Z)-1-[4-hydroxy-2,6-dioxo-1-(prop-2-en-1-yl)-1,6-dihydropyrimidin-5(2H)-ylidene]propyl}pentanehydrazide
Smiles: CCCCC(=O)NN/C(=C\1/C(=NC(=O)N(C1=O)CC=C)O)/CC

STL053221
Synonyms: 3-[(1Z)-2-hydroxy-4-methylpent-1-en-1-yl]-6-methyl-2H-1,4-benzoxazin-2-one
Smiles: CC(C/C(=C/c1nc2cc(C)ccc2oc1=O)/O)C

STL053227
Synonyms: N-[(2Z)-5-(2-chlorophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-phenoxypropanamide
Smiles: O=C(C(Oc1ccccc1)C)/N=c\1/[nH]nc(s1)c1ccccc1Cl

STL053229
Synonyms: 3-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methylquinolin-2(1H)-one
Smiles: CCOc1ccccc1c1onc(n1)c1cc2ccc(cc2[nH]c1=O)C

STL053231
Synonyms: 1-(2-methoxyphenyl)-2,6-dioxo-5-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: COc1ccccc1n1c(=O)[nH]c(c(c1=O)C1OC(=O)c2c1cccc2)[O-]

STL053235
Synonyms: 2-[4-(2,4-dimethylphenoxy)quinazolin-1-ium-2-yl]phenolate
Smiles: Cc1ccc(c(c1)C)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STL053245
Synonyms: 3-(3,4-dimethoxyphenyl)-8-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-4-oxo-4H-chromen-7-olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1occ(c2=O)c1ccc(c(c1)OC)OC

STL053248
Synonyms: [(4-ammonio-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Smiles: CCC1(C)OCc2c(C1)c1c([NH3+])nc(nc1s2)SCC(=O)[O-]

STL053260
Synonyms: 7-[(2Z)-3-chlorobut-2-en-1-yl]-8-[(furan-2-ylmethyl)amino]-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: C/C(=C/Cn1c(NCc2ccco2)nc2c1c(O)nc(=O)n2C)/Cl

STL053264
Synonyms: 2-{[3-(imidazo[1,2-a]pyridin-1-ium-2-yl)phenyl]carbamoyl}benzoate
Smiles: [O-]C(=O)c1ccccc1C(=O)Nc1cccc(c1)c1[nH+]c2n(c1)cccc2

STL053272
Synonyms: 1-(1,3-benzothiazol-2-yl)-4-(4-hydroxyquinolin-2-yl)-3-methyl-1H-pyrazol-5-olate
Smiles: Oc1cc(nc2c1cccc2)c1c(C)nn(c1[O-])c1nc2c(s1)cccc2

STL053279
Synonyms: 3-chloro-N-[(4Z)-5,6-dimethylthieno[2,3-d]pyrimidin-4(1H)-ylidene]-4-methylaniline
Smiles: Clc1cc(ccc1C)/N=c/1\nc[nH]c2c1c(C)c(s2)C

STL053280
Synonyms: 2-(4-fluorophenoxy)-N-[(2Z)-5-(4-methoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]acetamide
Smiles: COc1ccc(cc1)c1n[nH]/c(=N/C(=O)COc2ccc(cc2)F)/s1

STL053286
Synonyms: amino{[(1,1-dioxido-2,5-dihydrothiophen-3-yl)methyl]sulfanyl}methaniminium
Smiles: NC(=[NH2+])SCC1=CCS(=O)(=O)C1

STL053289
Synonyms: (11E)-11-[(3-methoxyphenyl)imino]-5,7,8,9,10,11-hexahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile
Smiles: COc1cccc(c1)/N=c/1\c2CCCCc2c(c2n1c1ccccc1[nH]2)C#N

STL053302
Synonyms: 4-{[2-(2-{(Z)-[1-(4-fluorobenzyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-indol-3-yl)ethyl]amino}-4-oxobutanoicacid
Smiles: O=C(CCC(=O)O)NCCc1c(/C=C\2/C(=O)N=C(N(C2=O)Cc2ccc(cc2)F)S)[nH]c2c1cccc2

STL053308
Synonyms: (4Z)-6-[(4-benzylpiperidin-1-yl)methyl]-4-[(4-methylphenyl)imino]-4,5-dihydro-1,3,5-triazin-2-amine
Smiles: Cc1ccc(cc1)/N=c/1\nc(N)nc([nH]1)CN1CCC(CC1)Cc1ccccc1

STL053310
Synonyms: 1-(4-chlorobenzyl)-1H-benzimidazol-3-ium-2-sulfonate
Smiles: Clc1ccc(cc1)Cn1c2ccccc2[nH+]c1S(=O)(=O)[O-]

STL053315
Synonyms: ethyl[(5E)-5-{[(2-nitrophenyl)carbonyl]imino}-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetate
Smiles: CCOC(=O)Cc1n[nH]/c(=N\C(=O)c2ccccc2[N+](=O)[O-])/s1

STL053317
Synonyms: (2E)-3-(2-chlorophenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: [O-]C(=O)/C(=C\c1ccccc1Cl)/Sc1[nH]nc([nH+]1)C

STL053321
Synonyms: (4-chlorophenyl){4-[(dipropylamino)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-yl}methanone
Smiles: CCCN(Cc1c(O)ccc2c1c(c(o2)C)C(=O)c1ccc(cc1)Cl)CCC

STL053345
Synonyms: N-benzyl-2,3-dihydrothiophen-3-aminium1,1-dioxide
Smiles: O=S1(=O)C=CC(C1)[NH2+]Cc1ccccc1

STL053359
Synonyms: 4-(4-methoxyphenyl)-1-(propan-2-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepine-3,7-diol
Smiles: COc1ccc(cc1)C1SCC(=Nc2c1c(O)nn2C(C)C)O

STL053367
Synonyms: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-(morpholin-4-ium-4-ylmethyl)-4-oxo-4H-chromen-7-olate
Smiles: [O-]c1ccc2c(c1C[NH+]1CCOCC1)occ(c2=O)c1ccc2c(c1)OCCO2

STL053368
Synonyms: 4-(dibenzylsulfamoyl)benzoicacid
Smiles: OC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1

STL053380
Synonyms: N,N-bis(4-fluorobenzyl)-2-(5-methoxy-1H-indol-3-yl)ethanamine
Smiles: COc1ccc2c(c1)c(CCN(Cc1ccc(cc1)F)Cc1ccc(cc1)F)c[nH]2

STL053385
Synonyms: 3-(benzylammonio)-4-[(3-fluorophenyl)amino]-4-oxobutanoate
Smiles: [O-]C(=O)CC(C(=O)Nc1cccc(c1)F)[NH2+]Cc1ccccc1

STL053401
Synonyms: 1-(3,4-dimethylphenyl)-1',6'-dimethyl-2,6-dioxo-1,1',4',6-tetrahydro-2H,2'H-spiro[pyrimidine-5,3'-quinolinium]-4-olate
Smiles: Cc1ccc2c(c1)CC1(C[NH+]2C)C(=NC(=O)N(C1=O)c1ccc(c(c1)C)C)[O-]

STL053436
Synonyms: methylN-[(2-chlorobenzyl)carbamoyl]-D-methioninate
Smiles: CSCC[C@H](C(=O)OC)NC(=O)NCc1ccccc1Cl

STL053443
Synonyms: N-[4-hydroxy-2,6-dioxo-1-phenyl-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]thiophene-2-carboxamide
Smiles: O=C1Nc2c(C1(NC(=O)c1cccs1)C(F)(F)F)c(O)nc(=O)n2c1ccccc1

STL053445
Synonyms: (5Z)-1-[2-(4-methoxyphenyl)ethyl]-5-{[(4-methylpiperazin-4-ium-1-yl)amino]methylidene}-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: COc1ccc(cc1)CCN1C(=O)N=C(/C(=C/NN2CC[NH+](CC2)C)/C1=O)[O-]

STL053451
Synonyms: 4-{[(6-bromo-3H-imidazo[4,5-b]pyridin-1-ium-2-yl)sulfanyl]methyl}benzoate
Smiles: Brc1cnc2c(c1)[nH+]c([nH]2)SCc1ccc(cc1)C(=O)[O-]

STL053455
Synonyms: N'-{(E)-[1-(butan-2-yl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}benzohydrazide
Smiles: CCC(N1C(=NC(=O)/C(=C\NNC(=O)c2ccccc2)/C1=O)S)C

STL053465
Synonyms: N-(5-oxo-7-phenyl-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyridine-2-carboxamide
Smiles: O=C1N=c2[nH]c(nn2C(C1)c1ccccc1)NC(=O)c1ccccn1

STL053472
Synonyms: N-{[4-(3,4-dimethoxyphenyl)tetrahydro-2H-pyran-4-yl]methyl}-4-methoxy-3-nitrobenzamide
Smiles: COc1ccc(cc1OC)C1(CCOCC1)CNC(=O)c1ccc(c(c1)[N+](=O)[O-])OC

STL053481
Synonyms: 2-(5,6-dihydrobenzimidazo[1,2-c]quinazolin-12-ium-6-yl)phenolate
Smiles: [O-]c1ccccc1C1Nc2ccccc2c2n1c1ccccc1[nH+]2

STL053492
Synonyms: N-[(3Z)-6-methoxy-1-(2-methylpropyl)-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]cyclohexanecarboxamide
Smiles: COc1ccc2c(c1)cc1c(n2)n([nH]/c/1=N\C(=O)C1CCCCC1)CC(C)C

STL053495
Synonyms: (2E)-3-(3-chloro-4-methoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: COc1ccc(cc1Cl)/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C

STL053498
Synonyms: 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-methyl-5-pentylpyrimidin-4-ol
Smiles: CCCCCc1c(C)nc(nc1O)Nc1nc(C)c2c(n1)ccc(c2)OC

STL053518
Synonyms: 3-{[(2,4-dimethylphenyl)sulfonyl]amino}-1H-indole-2-carboxylicacid
Smiles: Cc1ccc(c(c1)C)S(=O)(=O)Nc1c([nH]c2c1cccc2)C(=O)O

STL053519
Synonyms: [4-(1,3-benzothiazol-3-ium-2-ylacetyl)-2-ethyl-5-hydroxyphenoxy]acetate
Smiles: CCc1cc(C(=O)Cc2sc3c([nH+]2)cccc3)c(cc1OCC(=O)[O-])O

STL053530
Synonyms: (1S)-2-(1H-indol-3-yl)-1-[5-(propan-2-ylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine
Smiles: CC(Sc1nnc(o1)[C@H](Cc1c[nH]c2c1cccc2)N)C

STL053541
Synonyms: 2-{4-[4-(methoxycarbonyl)phenoxy]quinazolin-1-ium-2-yl}phenolate
Smiles: COC(=O)c1ccc(cc1)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STL053544
Synonyms: 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl[1]benzofuro[3,2-d]pyrimidine
Smiles: COc1ccccc1N1CCN(CC1)c1nc(C)nc2c1oc1c2cccc1

STL053548
Synonyms: N-[(3Z)-1,8-dimethyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]pyridine-4-carboxamide
Smiles: O=C(c1ccncc1)/N=c/1\[nH]n(c2c1cc1cccc(c1n2)C)C

STL053552
Synonyms: N-{4-[(butylcarbamoyl)sulfamoyl]phenyl}-2-{[4-(4-ethoxyphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Smiles: CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)OCC)c1cccs1

STL053560
Synonyms: 7-(2-fluorophenyl)-4-hydroxy-1-phenyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
Smiles: Fc1ccccc1C1=NC(c2c(N1)n(c1ccccc1)c(=O)nc2O)(C(F)(F)F)C(F)(F)F

STL053562
Synonyms: 4-({[4-ammonio-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Smiles: Cc1cccc(c1)c1nnc(n1[NH3+])SCc1ccc(cc1)C(=O)[O-]

STL053583
Synonyms: 4-{[(E)-(2,6-dichlorophenyl)methylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Smiles: Sc1nnc(n1/N=C/c1c(Cl)cccc1Cl)c1n[nH]c(c1)c1ccccc1

STL053598
Synonyms: N-[(2Z)-3-[(3-methylbutyl)amino]quinoxalin-2(1H)-ylidene]benzenesulfonamide
Smiles: CC(CCNc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccccc1)C

STL053612
Synonyms: 2-(4-chlorophenyl)-12-phenyl-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3-ium-9-olate
Smiles: Clc1ccc(cc1)c1[nH+]n2c(n1)c1c(nc2)Oc2c(C1c1ccccc1)ccc(c2)[O-]

STL053614
Synonyms: N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
Smiles: O=C(C12CCC(C2(C)C)(C(=O)C1)C)/N=c\1/sc2c([nH]1)cccc2

STL053627
Synonyms: 6-hydroxy-2-(morpholin-4-yl)-N-phenyl-4,5-dihydropyrimidine-4-carboxamide
Smiles: O=C(C1CC(=NC(=N1)N1CCOCC1)O)Nc1ccccc1

STL053633
Synonyms: 2-({5-[(1S)-1-amino-2-phenylethyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(2,5-dimethylphenyl)acetamide
Smiles: O=C(Nc1cc(C)ccc1C)CSc1nnc(o1)[C@H](Cc1ccccc1)N

STL053639
Synonyms: (5Z)-2,6-dihydroxy-5-[1-(2-phenylhydrazinyl)ethylidene]pyrimidin-4(5H)-one
Smiles: OC1=NC(=O)/C(=C(\NNc2ccccc2)/C)/C(=N1)O

STL053640
Synonyms: N-[2-(2-{(Z)-[1-(4-fluorobenzyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-indol-3-yl)ethyl]acetamide
Smiles: CC(=O)NCCc1c(/C=C\2/C(=O)N=C(N(C2=O)Cc2ccc(cc2)F)S)[nH]c2c1cccc2

STL053644
Synonyms: 2-({[4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
Smiles: COc1ccccc1c1nnc(n1CC)SCc1nc2c([nH]1)cccc2

STL053652
Synonyms: {[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetate
Smiles: C=CCn1c(SCC(=O)[O-])[nH+]nc1c1ccccn1

STL053669
Synonyms: 8-ethoxy-N-(2-methylpropyl)-5H-pyrimido[5,4-b]indol-4-amine
Smiles: CCOc1ccc2c(c1)c1ncnc(c1[nH]2)NCC(C)C

STL053674
Synonyms: (2E)-3-{4-[(2-chlorobenzyl)oxy]phenyl}-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: [O-]C(=O)/C(=C\c1ccc(cc1)OCc1ccccc1Cl)/Sc1[nH]nc([nH+]1)C

STL053680
Synonyms: 6-(2,5-dimethoxyphenyl)-3-(5-methyl-1H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: COc1ccc(c(c1)C1=Nn2c(SC1)nnc2c1n[nH]c(c1)C)OC

STL053695
Synonyms: methylN-[(4-phenylbutan-2-yl)carbamoyl]-D-valinate
Smiles: COC(=O)[C@@H](C(C)C)NC(=O)NC(CCc1ccccc1)C

STL053696
Synonyms: (2Z)-3-(2-methoxynaphthalen-1-yl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: COc1ccc2c(c1/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C)cccc2

STL053701
Synonyms: (5E)-1-(butan-2-yl)-5-{[(furan-2-ylmethyl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: CCC(N1C(=NC(=O)/C(=C\NCc2ccco2)/C1=O)S)C

STL053703
Synonyms: N-(3-methoxypropyl)-2-methyl[1]benzofuro[3,2-d]pyrimidin-4-amine
Smiles: COCCCNc1nc(C)nc2c1oc1c2cccc1

STL053706
Synonyms: (5E)-3-(furan-2-ylmethyl)-5-{[(furan-2-ylmethyl)amino]methylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
Smiles: OC1=NC(=O)N(C(=O)/C/1=C/NCc1ccco1)Cc1ccco1

STL053708
Synonyms: 3-(3-butoxypropyl)-8-ethoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Smiles: CCCCOCCCn1cnc2c(c1=O)[nH]c1c2cc(cc1)OCC

STL053714
Synonyms: 4-{(3E)-2-(4-chlorophenyl)-3-[(4-chlorophenyl)(hydroxy)methylidene]-4,5-dioxopyrrolidin-1-yl}benzoicacid
Smiles: Clc1ccc(cc1)C1/C(=C(/c2ccc(cc2)Cl)\O)/C(=O)C(=O)N1c1ccc(cc1)C(=O)O

STL053715
Synonyms: 2-hydroxy-8-(4-methoxyphenyl)-1-methyl-9-propyl-1,9-dihydro-6H-purin-6-one
Smiles: CCCn1c(nc2c1nc(O)n(c2=O)C)c1ccc(cc1)OC

STL053718
Synonyms: 3-{[(2,4-dimethylphenyl)amino]methyl}-8-methylquinolin-2(1H)-one
Smiles: Cc1ccc(c(c1)C)NCc1cc2cccc(c2[nH]c1=O)C

STL053721
Synonyms: 4-{[4-(4-fluorophenyl)piperazin-4-ium-1-yl]carbonothioyl}phenolate
Smiles: [O-]c1ccc(cc1)C(=S)N1CC[NH+](CC1)c1ccc(cc1)F

STL053733
Synonyms: 4-{[(1E,2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]amino}-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Smiles: COc1ccccc1/C=C/C=N/n1c(S)nnc1c1n[nH]c(c1)C

STL053736
Synonyms: 4-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2Z)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
Smiles: CCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)c2cccc(c2)Cl)/s1

STL053738
Synonyms: N,N-dibutyltetrahydrothiophen-3-aminium1,1-dioxide
Smiles: CCCC[NH+](C1CCS(=O)(=O)C1)CCCC

STL053740
Synonyms: 4a-methyl-8-nitro-2',6'-dioxo-1',2,3,4,4a,6'-hexahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinolinium-5,5'-pyrimidin]-4'-olate
Smiles: O=C1NC(=O)C2(C(=N1)[O-])Cc1cc(ccc1[NH+]1C2(C)CCCC1)[N+](=O)[O-]

STL053754
Synonyms: 3-amino-2-[(3,5-dimethylphenyl)carbamoyl]-6-hydroxythieno[2,3-b]pyridine-5-carboxylicacid
Smiles: Cc1cc(cc(c1)C)NC(=O)c1sc2c(c1N)cc(c(n2)O)C(=O)O

STL053755
Synonyms: 3-(4-bromophenyl)-5-(thiophen-2-yl)-4,5-dihydro-1,2-oxazole
Smiles: Brc1ccc(cc1)C1=NOC(C1)c1cccs1

STL053767
Synonyms: 3-(5,5-dimethyl-2-oxotetrahydrofuran-3-yl)-2-methyl-N-[(2Z)-1,3,4-thiadiazol-2(3H)-ylidene]propanamide
Smiles: CC(C(=O)/N=c/1\scn[nH]1)CC1CC(OC1=O)(C)C

STL053769
Synonyms: methylN-[(5-hydroxypentyl)carbamoyl]-L-phenylalaninate
Smiles: OCCCCCNC(=O)N[C@H](C(=O)OC)Cc1ccccc1

STL053772
Synonyms: 3-(2-bromophenoxy)-2-methyl-8-(morpholin-4-ium-4-ylmethyl)-4-oxo-4H-chromen-7-olate
Smiles: [O-]c1ccc2c(c1C[NH+]1CCOCC1)oc(c(c2=O)Oc1ccccc1Br)C

STL053776
Synonyms: methyl5-bromo-3-[({1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}acetyl)amino]-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCc3c(C1CN1C(=O)c4c(C1=O)cccc4)cccc3)cc(cc2)Br

STL053780
Synonyms: {4-[(E)-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)methyl]phenoxy}aceticacid
Smiles: OC(=O)COc1ccc(cc1)/C=C/1\C(=NC(=NC1=O)O)O

STL053790
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)NCc1ccc(cc1)Cl)C

STL053801
Synonyms: 2-(1,3-dimethyl-2,4-dioxo-7-phenyl-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-9-ium-8-yl)phenolate
Smiles: [O-]c1ccccc1n1c(cn2c1[nH+]c1c2c(=O)n(c(=O)n1C)C)c1ccccc1

STL053809
Synonyms: (5Z)-5-{1-[(2-fluorophenyl)amino]ethylidene}-2,6-dihydroxypyrimidin-4(5H)-one
Smiles: OC1=NC(=O)/C(=C(\Nc2ccccc2F)/C)/C(=N1)O

STL053820
Synonyms: {[5,7-dihydroxy-2-(methylamino)[1,3]thiazolo[4,5-b]pyridin-6-yl](2-fluorophenyl)methyl}propanedinitrile
Smiles: CNc1sc2c(n1)nc(c(c2O)C(c1ccccc1F)C(C#N)C#N)O

STL053824
Synonyms: 3-{(3E)-2-(2,4-dimethoxyphenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}benzoicacid
Smiles: COc1ccc(c(c1)OC)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1cccc(c1)C(=O)O

STL053826
Synonyms: (4E)-4-[(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)(hydroxy)methylidene]-1-[3-(morpholin-4-yl)propyl]-5-phenylpyrrolidine-2,3-dione
Smiles: O=C1C(=O)/C(=C(\c2c(C)nc3n2cccc3C)/O)/C(N1CCCN1CCOCC1)c1ccccc1

STL053829
Synonyms: (E)-{1-[3-(morpholin-4-ium-4-yl)propyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate
Smiles: CC(Oc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])CCC[NH+]1CCOCC1)/[O-])C

STL053839
Synonyms: 2-[7-(4-chlorophenyl)-5-oxo-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]hexahydro-1H-isoindole-1,3(2H)-dione
Smiles: O=C1CC(c2ccc(cc2)Cl)n2c(=N1)[nH]c(n2)N1C(=O)C2C(C1=O)CCCC2

STL053847
Synonyms: 9-(furan-2-ylmethyl)-4-hydroxy-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purin-2(1H)-one
Smiles: Oc1nc(=O)n(c2c1n1CCCN(c1n2)Cc1ccco1)C

STL053854
Synonyms: 3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-6-methylquinolin-2(1H)-one
Smiles: COc1cccc(c1)c1onc(n1)c1cc2cc(C)ccc2[nH]c1=O

STL053868
Synonyms: (5Z)-5-[1-(azepan-1-ylamino)ethylidene]-2,6-dihydroxypyrimidin-4(5H)-one
Smiles: OC1=NC(=O)/C(=C(\NN2CCCCCC2)/C)/C(=N1)O

STL053872
Synonyms: 6-hydroxy-3-methyl-8-(morpholin-4-yl)-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-3,7-dihydro-2H-purin-2-one
Smiles: Oc1nc(=O)n(c2c1n(CCCSc1ncccn1)c(n2)N1CCOCC1)C

STL053875
Synonyms: N-(4-methoxyphenyl)-N-[(2-oxo-1,2-dihydroquinolin-4-yl)methyl]butanamide
Smiles: CCCC(=O)N(c1ccc(cc1)OC)Cc1cc(=O)[nH]c2c1cccc2

STL053878
Synonyms: (5Z)-1-(3,5-dimethylphenyl)-5-{[5-(4-methylpiperazin-4-ium-1-yl)furan-2-yl]methylidene}-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate
Smiles: Cc1cc(C)cc(c1)N1C(=NC(=O)/C(=C/c2ccc(o2)N2CC[NH+](CC2)C)/C1=O)[S-]

STL053881
Synonyms: 2-methyl-N-[(2Z)-5-[2-(morpholin-4-yl)ethyl]-1,3,4-thiadiazol-2(3H)-ylidene]propanamide
Smiles: CC(C(=O)/N=c\1/[nH]nc(s1)CCN1CCOCC1)C

STL053894
Synonyms: (2Z)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]-3-phenylprop-2-enoate
Smiles: [O-]C(=O)/C(=C/c1ccccc1)/Sc1[nH]nc([nH+]1)C

STL053898
Synonyms: 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-(4-methoxyphenyl)-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
Smiles: COc1ccc(cc1)c1cn(c2[n+]1CCC2)CC(=O)c1ccc(cc1)F

STL053899
Synonyms: N-{[3-(2-oxopyrrolidin-1-yl)propyl]carbamoyl}-L-phenylalanine
Smiles: O=C(N[C@H](C(=O)O)Cc1ccccc1)NCCCN1CCCC1=O

STL053903
Synonyms: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
Smiles: CC(Cc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)c2cccc(c2C)C)/s1)C

STL053909
Synonyms:
Smiles: Cc1ccc(c(c1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccc2c1nsn2)C

STL053910
Synonyms: 4-[11-(4-tert-butylphenyl)-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoicacid
Smiles: OC(=O)CCC(=O)N1C(c2ccc(cc2)C(C)(C)C)C2=C(O)CC(CC2=Nc2c1cccc2)(C)C

STL053912
Synonyms: N-(1,1-dioxidotetrahydrothiophen-3-yl)-1-({1-[(4-methylphenyl)sulfonyl]piperidin-4-yl}carbonyl)-L-prolinamide
Smiles: O=C([C@@H]1CCCN1C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C)NC1CCS(=O)(=O)C1

STL053935
Synonyms: 5-amino-1-(hexan-2-yl)-1,2-dihydro-3H-pyrazol-3-one
Smiles: CC(n1c(N)cc(=O)[nH]1)CCCC

STL053937
Synonyms: 2-[4-(2-chloro-5-methylphenoxy)quinazolin-1-ium-2-yl]phenolate
Smiles: Cc1ccc(c(c1)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-])Cl

STL053942
Synonyms: N-[4-(3,5-dihydroxy-7,7-dimethyl-2-phenyl-4,6,7,8-tetrahydro-2H-pyrazolo[3,4-b]quinolin-4-yl)phenyl]acetamide
Smiles: CC(=O)Nc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c1c(O)n(n2)c1ccccc1)(C)C

STL053948
Synonyms: 8-bromo-N-phenyl[1]benzofuro[3,2-d]pyrimidin-4-amine
Smiles: Brc1ccc2c(c1)c1ncnc(c1o2)Nc1ccccc1

STL053950
Synonyms: 4-({(E)-[4-(methylsulfanyl)phenyl]methylidene}amino)-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Smiles: CSc1ccc(cc1)/C=N/n1c(S)nnc1c1n[nH]c(c1)c1ccccc1

STL053951
Synonyms: N-[(2E)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2(3H)-ylidene]-2,2-dimethylpropanamide
Smiles: COc1ccc(cc1)/C=C/c1n[nH]/c(=N\C(=O)C(C)(C)C)/s1

STL053956
Synonyms: (2E)-3-{3-[(2-chlorobenzyl)oxy]phenyl}-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: [O-]C(=O)/C(=C\c1cccc(c1)OCc1ccccc1Cl)/Sc1[nH]nc([nH+]1)C

STL053962
Synonyms: N-[(3Z)-6-methoxy-1-propyl-1,2-dihydro-3H-pyrazolo[3,4-b]quinolin-3-ylidene]-2-phenoxyacetamide
Smiles: CCCn1[nH]/c(=N\C(=O)COc2ccccc2)/c2c1nc1ccc(cc1c2)OC

STL053971
Synonyms: 2-(2-amino-5-phenylpyrimidin-4-yl)-5-[(2-fluorobenzyl)oxy]phenol
Smiles: Nc1ncc(c(n1)c1ccc(cc1O)OCc1ccccc1F)c1ccccc1

STL053975
Synonyms: methylN-[benzyl(methyl)carbamoyl]-D-phenylalaninate
Smiles: COC(=O)[C@H](NC(=O)N(Cc1ccccc1)C)Cc1ccccc1

STL053977
Synonyms: N-[(2E)-5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]furan-2-carboxamide
Smiles: Clc1ccc(c(c1)Cl)c1n[nH]/c(=N\C(=O)c2ccco2)/s1

STL053979
Synonyms: (1S)-3-methyl-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}butan-1-amine
Smiles: CC(C[C@@H](c1nnc(o1)SCc1ccc(cc1)C)N)C

STL053983
Synonyms: 2-methoxy-N-[7-(4-methoxyphenyl)-5-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide
Smiles: COCC(=O)Nc1nc2n(n1)C(CC(N2)c1ccccc1)c1ccc(cc1)OC

STL053988
Synonyms:
Smiles: CCC([C@@H](c1nnc(o1)SCC(=O)Nc1c(C)cccc1C)N)C

STL053989
Synonyms: 4-chloro-N-[(2Z)-3-[(5-chloro-2-methylphenyl)amino]quinoxalin-2(1H)-ylidene]benzenesulfonamide
Smiles: Clc1ccc(cc1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1cc(Cl)ccc1C

STL053991
Synonyms: 4-{[(1E,2E)-3-phenylprop-2-en-1-ylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Smiles: Sc1nnc(n1/N=C/C=C/c1ccccc1)c1n[nH]c(c1)c1ccccc1

STL053995
Synonyms: 4-{4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl}-N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
Smiles: CC(Cc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)CCOc2ccc(cc2)C)/s1)C

STL053996
Synonyms: N-[4-amino-6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-2-yl]glycine
Smiles: CC1CC(C)CN(C1)c1nc(NCC(=O)O)nc(c1[N+](=O)[O-])N

STL053998
Synonyms: N-(3,4-dimethylphenyl)-N'-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
Smiles: CC(Cc1n[nH]/c(=N/C(=O)CCC(=O)Nc2ccc(c(c2)C)C)/s1)C

STL054009
Synonyms: (2Z)-3-(4-methoxy-2-methylphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: COc1ccc(c(c1)C)/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C

STL054025
Synonyms: [(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)sulfanyl]aceticacid
Smiles: OC(=O)CSc1c(O)nc2c(c1c1ccccc1)cc(cc2)Cl

STL054035
Synonyms: (5E)-3-(furan-2-ylmethyl)-6-hydroxy-5-{[(thiophen-2-ylmethyl)amino]methylidene}pyrimidine-2,4(3H,5H)-dione
Smiles: OC1=NC(=O)N(C(=O)/C/1=C/NCc1cccs1)Cc1ccco1

STL054041
Synonyms: 6-fluoro-1-methyl-7-{4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-4-ium-1-yl}-4-oxo-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
Smiles: O=c1oc(c(o1)C[NH+]1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2C(C)S1)C(=O)[O-])C

STL054049
Synonyms: 2-({5-[(1S)-1-amino-3-methylbutyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(2,6-dimethylphenyl)acetamide
Smiles: N[C@H](c1nnc(o1)SCC(=O)Nc1c(C)cccc1C)CC(C)C

STL054051
Synonyms:
Smiles: CCC([C@@H](C(=O)O)NC(=O)NCc1ccccc1)C

STL054056
Synonyms: (2Z)-2-[(3-chlorophenyl)imino]-6-(3-methylpiperidin-1-yl)-5-nitro-1,2-dihydropyrimidin-4-amine
Smiles: CC1CCCN(C1)c1[nH]/c(=N/c2cccc(c2)Cl)/nc(c1[N+](=O)[O-])N

STL054061
Synonyms: N-(1,3-benzodioxol-5-yl)-2-(3-hydroxy-2H-1,4-benzothiazin-2-yl)acetamide
Smiles: O=C(CC1Sc2ccccc2N=C1O)Nc1ccc2c(c1)OCO2

STL054079
Synonyms: N-[(2Z)-5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-methylpropanamide
Smiles: O=C(C(C)C)/N=c\1/[nH]nc(s1)Cc1c[nH]c2c1cccc2

STL054082
Synonyms: N-[(2,2-diphenylethyl)carbamoyl]-L-methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)NCC(c1ccccc1)c1ccccc1

STL054086
Synonyms: 8-methyl-3-[(propan-2-ylamino)methyl]quinolin-2(1H)-one
Smiles: CC(NCc1cc2cccc(c2[nH]c1=O)C)C

STL054087
Synonyms: N-[(2E)-6-(morpholin-4-ylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]pyridine-2-carboxamide
Smiles: O=C(c1ccccn1)/N=c\1/sc2c([nH]1)ccc(c2)S(=O)(=O)N1CCOCC1

STL054090
Synonyms:
Smiles: COc1cc(OC)c(cc1Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccc2c1nsn2)Cl

STL054091
Synonyms: 5-(3-chlorophenyl)-4-{[(E)-(3,4-dihydroxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Clc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(c(c1)O)O

STL054096
Synonyms: 4-tert-butyl-N-ethyl-N-[(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]benzamide
Smiles: CCN(C(=O)c1ccc(cc1)C(C)(C)C)Cc1cc2ccc(cc2[nH]c1=O)C

STL054107
Synonyms: (1S)-1-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-phenylethanamine
Smiles: Fc1ccc(cc1)CSc1nnc(o1)[C@H](Cc1ccccc1)N

STL054108
Synonyms: (2Z)-2-[(2,4-dimethylphenyl)imino]-7-methyl-2,6,7,8-tetrahydroquinazolin-5(1H)-one
Smiles: CC1CC(=O)c2c(C1)[nH]/c(=N/c1ccc(cc1C)C)/nc2

STL054111
Synonyms: N-(3-nitrophenyl)-5-oxo-2-phenyltetrahydrofuran-3-carboxamide
Smiles: O=C1CC(C(O1)c1ccccc1)C(=O)Nc1cccc(c1)[N+](=O)[O-]

STL054117
Synonyms: 4-chloro-2-[1-(4H-1,2,4-triazol-1-ium-4-ylamino)ethyl]phenolate
Smiles: Clc1ccc(c(c1)C(Nn1c[nH+]nc1)C)[O-]

STL054124
Synonyms: (8E)-8-[(2E)-benzylidenehydrazinylidene]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: O=c1n(C)c2[nH]/c(=N\N=C\c3ccccc3)/n(c2c(=O)n1C)Cc1cccc2c1cccc2

STL054125
Synonyms: 2-{[(Z)-{1-[2-(cyclohex-1-en-1-yl)ethyl]-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene}methyl]amino}benzoicacid
Smiles: O=C1N=C(O)/C(=C/Nc2ccccc2C(=O)O)/C(=O)N1CCC1=CCCCC1