Chemical compounds for High-Throughput screening and
Building Blocks for Combinatorial chemistry

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STK583306
Synonyms: 3- [1- oxo- 1- (piperidin- 1- yl)butan- 2- yl]quinazolin- 4(3H)- one
Smiles: CCC(n1cnc2c(c1=O)cccc2)C(=O)N1CCCCC1

STK583307
Synonyms: N- (4- methoxyphenyl)- 4- [(4- oxoquinazolin- 3(4H)- yl)methyl]cyclohexanecarboxamide
Smiles: COc1ccc(cc1)NC(=O)C1CCC(CC1)Cn1cnc2c(c1=O)cccc2

STK583308
Synonyms: N- [4- (acetylamino)phenyl]- 2- {[4- (4- chlorophenyl)- 5- (3- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1ccc(cc1)NC(=O)C

STK583309
Synonyms: 6- (furan- 2- ylmethyl)- 2- hydroxy- 1- (4- methylphenyl)- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: Cc1ccc(cc1)n1c(O)nc(=O)c2c1NCN(C2)Cc1ccco1

STK583310
Synonyms: 2- {(1E)- 1- [4- hydroxy- 2,6- dioxo- 1- (prop- 2- en- 1- yl)- 1,6- dihydropyrimidin- 5(2H)- ylidene]propyl}hydrazinecarboxamide
Smiles: C=CCN1C(=O)N=C(/C(=C(\NNC(=O)N)/CC)/C1=O)O

STK583311
Synonyms: 1- (4- fluorophenyl)- N- [(1S)- 3- (methylsulfanyl)- 1- ([1,2,4]triazolo[4,3- a]pyridin- 3- yl)propyl]cyclopentanecarboxamide
Smiles: CSCC[C@@H](c1nnc2n1cccc2)NC(=O)C1(CCCC1)c1ccc(cc1)F

STK583313
Synonyms: (2Z)- N- (3- chloro- 2- methylphenyl)- 2- (3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinolin- 7(8H)- ylidene)ethanethioamide
Smiles: S=C(Nc1cccc(c1C)Cl)/C=C/1\NCCc2c1cc1OCCCOc1c2

STK583315
Synonyms: (4E)- 4- ({[(1- ethylpyrrolidin- 2- yl)methyl]amino}methylidene)- 2- (4- methylphenyl)isoquinoline- 1,3(2H,4H)- dione
Smiles: CCN1CCCC1CN/C=C/1\c2ccccc2C(=O)N(C1=O)c1ccc(cc1)C

STK583316
Synonyms: (4Z)- 4- (3- chloro- 4- nitrobenzylidene)- 2- (3- iodophenyl)- 1,3- oxazol- 5(4H)- one
Smiles: Ic1cccc(c1)C1=N/C(=C\c2ccc(c(c2)Cl)[N+](=O)[O-])/C(=O)O1

STK583317
Synonyms: 11- (2- methoxyphenyl)- 10- methyl- 2,8- diphenyl- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: COc1ccccc1C1c2c(C)nn(c2Oc2c1c1nc(nn1cn2)c1ccccc1)c1ccccc1

STK583318
Synonyms: N- (2,6- dichlorophenyl)- 2- {[4- (4- methoxyphenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1c1ccccn1

STK583319
Synonyms: N- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 3- (2- hydroxy- 4- oxoquinazolin- 3(4H)- yl)propanamide
Smiles: O=C(Nc1ccc2c(c1)OCCO2)CCn1c(O)nc2c(c1=O)cccc2

STK583323
Synonyms: 9- benzyl- 2,5- dimethyl- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Cc1nn2c(n1)c1c(nc2C)sc2c1CCN(C2)Cc1ccccc1

STK583324
Synonyms: (1'S,3R,3'S,7a'S)- 5''- fluoro- 1'- [(3- propoxyphenyl)carbonyl]- 5',6',7',7a'- tetrahydro- 1'H- dispiro[indole- 3,2'- pyrrolizine- 3',3''- indole]- 2,2''(1H,1''H)- dione
Smiles: CCCOc1cccc(c1)C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(F)cc1

STK583325
Synonyms: tert- butyl(5- {5- [(4- methylbenzyl)sulfonyl]- 1,3,4- oxadiazol- 2- yl}pentyl)carbamate
Smiles: O=C(OC(C)(C)C)NCCCCCc1nnc(o1)S(=O)(=O)Cc1ccc(cc1)C

STK583326
Synonyms: [4- ({(2'S,3S,3'S,10b'R)- 3'- [(4- methoxyphenyl)carbonyl]- 2- oxo- 1,2,2',3'- tetrahydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2'- yl}carbonyl)phenoxy]acetonitrile
Smiles: N#CCOc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)OC)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK583327
Synonyms: 4- ({[5- (4- tert- butylphenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}methyl)benzonitrile
Smiles: N#Cc1ccc(cc1)CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C

STK583328
Synonyms: 3- (5- chloro- 2- hydroxy- 4- methylphenyl)- 4- (3- ethoxy- 4- hydroxyphenyl)- 5- (3- hydroxypropyl)- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: OCCCN1C(=O)c2c(C1c1ccc(c(c1)OCC)O)c([nH]n2)c1cc(Cl)c(cc1O)C

STK583329
Synonyms: 5- (3- chlorophenyl)- 4- {[(E)- (4- ethoxyphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1cccc(c1)Cl

STK583332
Synonyms: N- [(2Z)- 3- [4- (dimethylamino)phenyl]- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]pentanamide
Smiles: CCCCC(=O)/N=C/1\SC2C(N1c1ccc(cc1)N(C)C)CS(=O)(=O)C2

STK583333
Synonyms: 3- {(2S)- 1- [4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]- 1- oxopropan- 2- yl}- 1,2,3- benzotriazin- 4(3H)- one
Smiles: O=C([C@@H](n1nnc2c(c1=O)cccc2)C)N1CCN(CC1)Cc1ccc2c(c1)OCO2

STK583335
Synonyms: 6- (2- bromoethyl)- 9- methoxy- 6H- indolo[2,3- b]quinoxaline
Smiles: BrCCn1c2ccc(cc2c2c1nc1ccccc1n2)OC

STK583336
Synonyms: (2Z)- 7- [(3- methylpiperidinium- 1- yl)methyl]- 2- (3- nitrobenzylidene)- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- olate
Smiles: CC1CCC[NH+](C1)Cc1c([O-])ccc2c1O/C(=C\c1cccc(c1)[N+](=O)[O-])/C2=O

STK583337
Synonyms: N- (3- fluorophenyl)- 2- {[4- phenyl- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)F)CSc1nnc(n1c1ccccc1)c1ccccn1

STK583339
Synonyms: 2- (4- chlorophenyl)- 3- {3- [2- (propan- 2- yl)phenoxy]propyl}quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCOc1ccccc1C(C)C

STK583341
Synonyms: (4Z)- 2- (2,4- dichlorophenyl)- 4- (4- methoxy- 3- nitrobenzylidene)- 1,3- oxazol- 5(4H)- one
Smiles: COc1ccc(cc1[N+](=O)[O-])/C=C/1\N=C(OC1=O)c1ccc(cc1Cl)Cl

STK583342
Synonyms: 5- [(4- ethenylbenzyl)oxy]- 2- (3- methyl- 4- phenyl- 1H- pyrazol- 5- yl)phenol
Smiles: C=Cc1ccc(cc1)COc1ccc(c(c1)O)c1[nH]nc(c1c1ccccc1)C

STK583346
Synonyms: 9- (furan- 2- yl)- 6- phenyl- 2- (trifluoromethyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: OC1=C2C(=Nc3n(C2c2ccco2)nc(n3)C(F)(F)F)CC(C1)c1ccccc1

STK583348
Synonyms: 2- {5- [(4- bromobenzyl)sulfanyl]- 4- (4- chlorophenyl)- 4H- 1,2,4- triazol- 3- yl}pyridine
Smiles: Clc1ccc(cc1)n1c(SCc2ccc(cc2)Br)nnc1c1ccccn1

STK583349
Synonyms: 4- imino- 9,10- dimethoxy- 2- [3- methoxy- 4- (propan- 2- yloxy)phenyl]- 6,7- dihydro- 4H- pyrido[2,1- a]isoquinoline- 3- carbonitrile
Smiles: N#Cc1c(cc2n(c1=N)CCc1c2cc(OC)c(c1)OC)c1ccc(c(c1)OC)OC(C)C

STK583351
Synonyms: (3S,3a'R,6a'S)- 5- fluoro- 3'- (1H- indol- 3- ylmethyl)- 5'- (tetrahydrofuran- 2- ylmethyl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: Fc1ccc2c(c1)[C@]1(NC([C@H]3[C@@H]1C(=O)N(C3=O)CC1CCCO1)Cc1c[nH]c3c1cccc3)C(=O)N2

STK583352
Synonyms: 5- cyclopropyl- N'- [(1E)- 1- (4- fluorophenyl)ethylidene]- 1H- pyrazole- 3- carbohydrazide
Smiles: Fc1ccc(cc1)/C(=N/NC(=O)c1n[nH]c(c1)C1CC1)/C

STK583356
Synonyms: (3R)- 2,2- dimethyl- N- [(2S)- 3- methyl- 1- (4- methylpiperazin- 1- yl)- 1- oxobutan- 2- yl]- 5- oxo- 2,3,5,9b- tetrahydro[1,3]thiazolo[2,3- a]isoindole- 3- carboxamide
Smiles: CN1CCN(CC1)C(=O)[C@H](C(C)C)NC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1

STK583360
Synonyms: 5- (2- bromophenyl)- 4- {[(E)- (4- ethoxy- 3- methoxyphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1ccc(cc1OC)/C=N/n1c(=S)[nH]nc1c1ccccc1Br

STK583361
Synonyms: 7- (2,6- dichlorobenzyl)- 8- [(2- ethylpiperidin- 1- yl)methyl]- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCC1CCCCN1Cc1nc2c(n1Cc1c(Cl)cccc1Cl)c(=O)n(c(=O)n2C)C

STK583362
Synonyms: 3- cyclohexyl- 2- (2,4- dichlorophenyl)- 10- methylpyrimido[4,5- b]quinoline- 4,5(3H,10H)- dione
Smiles: Clc1ccc(c(c1)Cl)c1nc2c(c(=O)n1C1CCCCC1)c(=O)c1c(n2C)cccc1

STK583363
Synonyms: 2- ethyl- N- [(2Z)- 3- [2- (4- methoxyphenyl)ethyl]- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]butanamide
Smiles: CCC(C(=O)/N=C/1\SC2C(N1CCc1ccc(cc1)OC)CS(=O)(=O)C2)CC

STK583364
Synonyms: (5Z)- 5- {[1- (1,3- benzodioxol- 5- yl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]methylidene}- 2- hydroxy- 3- phenyl- 3,5- dihydro- 4H- imidazol- 4- one
Smiles: OC1=N/C(=C\c2cc(n(c2C)c2ccc3c(c2)OCO3)C)/C(=O)N1c1ccccc1

STK583366
Synonyms: N- (1,3- benzodioxol- 5- yl)- 2- ({5- [(4- chlorophenoxy)methyl]- 4- (4- ethoxyphenyl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1COc1ccc(cc1)Cl

STK583367
Synonyms: N- (2- bromophenyl)- 2- {[4- (4- chlorophenyl)- 5- (2- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccccc1c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1ccccc1Br

STK583368
Synonyms: 7- (3- chlorobenzyl)- 6- hydroxy- 3- methyl- 8- [4- (3- methylbutyl)piperazin- 1- yl]- 3,7- dihydro- 2H- purin- 2- one
Smiles: CC(CCN1CCN(CC1)c1nc2c(n1Cc1cccc(c1)Cl)c(O)nc(=O)n2C)C

STK583369
Synonyms: ethylN- ({[3- (4- chlorophenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}acetyl)glycinate
Smiles: CCOC(=O)CNC(=O)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl

STK583370
Synonyms: N- (3,4- dimethoxyphenyl)- 2- {[4- (4- methylphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1cc(ccc1OC)NC(=O)CSc1nnc(n1c1ccc(cc1)C)COc1ccccc1

STK583371
Synonyms: 2- [3- (4- fluorophenyl)- 5- methyl- 7- oxo- 7H- furo[3,2- g]chromen- 6- yl]- N- (3- hydroxypropyl)acetamide
Smiles: OCCCNC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccc(cc1)F

STK583372
Synonyms: (4E)- 4- [(2E)- 1- hydroxy- 3- phenylprop- 2- en- 1- ylidene]- 5- phenyl- 1- [3- (trifluoromethyl)phenyl]pyrrolidine- 2,3- dione
Smiles: O/C(=C\1/C(=O)C(=O)N(C1c1ccccc1)c1cccc(c1)C(F)(F)F)/C=C/c1ccccc1

STK583375
Synonyms: 4- {[(E)- (3,4- dimethoxyphenyl)methylidene]amino}- 5- (2- fluorophenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(ccc1OC)/C=N/n1c(=S)[nH]nc1c1ccccc1F

STK583377
Synonyms: 5- (2- methoxyphenyl)- 4- {[(E)- (3- methoxyphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1ccccc1OC

STK583379
Synonyms: 4- methyl- N- [(7- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (2- methylphenyl)benzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)N(c1ccccc1C)Cc1cc2ccc(cc2[nH]c1=O)C

STK583383
Synonyms: 1- (4- methoxyphenyl)- 6- propyl- 2- sulfanyl- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: CCCN1CNc2c(C1)c(=O)nc(n2c1ccc(cc1)OC)S

STK583385
Synonyms: N- {[(2Z)- 4- (naphthalen- 1- yl)- 1,3- thiazol- 2(3H)- ylidene]carbamothioyl}- 2- phenoxyacetamide
Smiles: O=C(NC(=S)/N=c/1\scc([nH]1)c1cccc2c1cccc2)COc1ccccc1

STK583386
Synonyms: 3- [(2,6- dichlorobenzyl)sulfanyl]- 4- (4- methylphenyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazole
Smiles: Cc1ccc(cc1)n1c(SCc2c(Cl)cccc2Cl)nnc1Cc1cccs1

STK583388
Synonyms: 2- (5- methoxy- 4,7- dimethyl- 2- oxo- 2H- chromen- 3- yl)- N- (pyridin- 4- ylmethyl)acetamide
Smiles: COc1cc(C)cc2c1c(C)c(c(=O)o2)CC(=O)NCc1ccncc1

STK583390
Synonyms: 5- ethyl- 3- (4- methoxyphenyl)- 2- methylpyrazolo[1,5- a]pyrimidin- 7- ol
Smiles: CCc1cc(O)n2c(n1)c(c1ccc(cc1)OC)c(n2)C

STK583392
Synonyms: 4- nitro- N'- [(E)- quinoxalin- 6- ylmethylidene]benzohydrazide
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])N/N=C/c1ccc2c(c1)nccn2

STK583393
Synonyms: 2- [3- (4- fluorophenyl)- 5- methyl- 7- oxo- 7H- furo[3,2- g]chromen- 6- yl]- N- (pyridin- 3- ylmethyl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccc(cc1)F)NCc1cccnc1

STK583394
Synonyms: (3a'S,6a'R)- 5'- (1,3- benzodioxol- 5- yl)- 3'- (1H- indol- 3- ylmethyl)- 5- nitro- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: O=C1N(c2ccc3c(c2)OCO3)C(=O)[C@@H]2[C@H]1C(Cc1c[nH]c3c1cccc3)NC12C(=O)Nc2c1cc(cc2)[N+](=O)[O-]

STK583395
Synonyms: (3a'S,6a'R)- 5'- benzyl- 5- fluoro- 3'- (4- hydroxybenzyl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: Fc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)Cc1ccccc1)Cc1ccc(cc1)O)C(=O)N2

STK583398
Synonyms: (3S,3a'R,8a'S,8b'S)- 2'- (4- bromophenyl)- 7- chloro- 5- methyl- 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: Brc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cc(C)cc2Cl

STK583399
Synonyms: 4- {[(E)- (3,4- dimethoxyphenyl)methylidene]amino}- 5- (4- ethoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(c(c1)OC)OC

STK583400
Synonyms: (5E)- 3- (2- chlorophenyl)- 5- ({[3- (dimethylamino)propyl]amino}methylidene)- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CN(CCCN/C=C/1\C(=NC(=O)N(C1=O)c1ccccc1Cl)O)C

STK583401
Synonyms: 4- {[(E)- (4- tert- butylphenyl)methylidene]amino}- 5- [4- (dimethylamino)phenyl]- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CN(c1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C(C)(C)C)C

STK583402
Synonyms: N- (1,3- benzodioxol- 5- yl)- 2- {[4- (4- methylphenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc2c(c1)OCO2)CSc1nnc(n1c1ccc(cc1)C)c1ccccn1

STK583403
Synonyms: 3- [(3a'S,6a'R)- 5'- (butan- 2- yl)- 7- chloro- 2,4',6'- trioxo- 1,2,3',3a',4',5',6',6a'- octahydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 3'- yl]propanamide
Smiles: CCC(N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CCC(=O)N)C(=O)Nc2c1cccc2Cl)C

STK583404
Synonyms: 2- (ethylsulfanyl)- 9- (3- methoxyphenyl)- 6,6- dimethyl- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CCSc1nn2c(n1)N=C1C(=C(O)CC(C1)(C)C)C2c1cccc(c1)OC

STK583405
Synonyms: 4- ({(E)- [4- (benzyloxy)phenyl]methylidene}amino)- 5- (3,4,5- trimethoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)OCc1ccccc1

STK583407
Synonyms: N- (4- chlorophenyl)- 2- {[4- (4- chlorophenyl)- 3- cyano- 5- hydroxy- 4,6,7,8- tetrahydroquinolin- 2- yl]sulfanyl}acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)Cl)N=C2C(=C(O)CCC2)C1c1ccc(cc1)Cl

STK583410
Synonyms: 3- (2- chlorobenzyl)- 8- (4- chlorophenyl)- 1- methyl- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: Clc1ccc(cc1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccccc1Cl

STK583411
Synonyms: 1'- ethyl- 6'- nitro- 1,2'- diphenyl- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4,6(1H,3H)- trione
Smiles: CCN1c2ccc(cc2CC2(C1c1ccccc1)C(=O)NC(=O)N(C2=O)c1ccccc1)[N+](=O)[O-]

STK583413
Synonyms: 4- {[(E)- (3- bromo- 4- methoxyphenyl)methylidene]amino}- 5- (2- methoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccc(cc1Br)/C=N/n1c(=S)[nH]nc1c1ccccc1OC

STK583414
Synonyms: N- [(3E)- 1- ethyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]- 4- fluorobenzenesulfonamide
Smiles: CCn1[nH]/c(=N/S(=O)(=O)c2ccc(cc2)F)/c2c1nc1ccccc1c2

STK583415
Synonyms: 1- (4- bromophenyl)- 2- {[4- (4- chlorophenyl)- 5- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}ethanone
Smiles: COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)c1ccc(cc1)Br

STK583416
Synonyms: 4- nitro- N- {[(2E)- 4- phenyl- 1,3- thiazol- 2(3H)- ylidene]carbamothioyl}benzamide
Smiles: S=C(/N=c\1/scc([nH]1)c1ccccc1)NC(=O)c1ccc(cc1)[N+](=O)[O-]

STK583417
Synonyms: N- [(1Z)- 1- {1- cyano- 2- [(2,5- dimethylphenyl)amino]- 2- oxoethylidene}- 1H- isoindol- 3- yl]- 4- methylbenzamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccc(cc1)C)/C(=O)Nc1cc(C)ccc1C

STK583418
Synonyms: (4E)- 1- hexyl- 4- [hydroxy(phenyl)methylidene]- 5- phenylpyrrolidine- 2,3- dione
Smiles: CCCCCCN1C(c2ccccc2)/C(=C(/c2ccccc2)\O)/C(=O)C1=O

STK583419
Synonyms: N- (3- methoxyphenyl)- 2- ({5- [(4- methylphenoxy)methyl]- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nnc(n1c1ccc(cc1)C)COc1ccc(cc1)C

STK583420
Synonyms: 2- ethyl- 3- methyl- 1- [(2E)- 2- (quinolin- 8- ylmethylidene)hydrazinyl]pyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(c1N/N=C/c1cccc3c1nccc3)c1ccccc1n2

STK583421
Synonyms: 4- (2- methylpropyl)- N- (pyridin- 3- ylmethyl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 7- amine
Smiles: CC(Cc1nc2oc3c(c2c2c1CCC2)ncnc3NCc1cccnc1)C

STK583425
Synonyms: 5- (3,4- dimethoxyphenyl)- 6- hydroxy- 1,3,8,8- tetramethyl- 5,7,8,9- tetrahydropyrimido[4,5- b]quinoline- 2,4(1H,3H)- dione
Smiles: COc1ccc(cc1OC)C1C2=C(O)CC(CC2=Nc2c1c(=O)n(C)c(=O)n2C)(C)C

STK583426
Synonyms: (3S,3a'R,8a'S,8b'S)- 2'- (4- chlorophenyl)- 7- ethyl- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: CCc1cccc2c1NC(=O)[C@]12N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)Cl

STK583427
Synonyms: N- [1- (1H- benzimidazol- 2- yl)- 3- methyl- 1H- pyrazol- 5- yl]- 3- methyl- 4- nitrobenzamide
Smiles: Cc1nn(c(c1)NC(=O)c1ccc(c(c1)C)[N+](=O)[O-])c1nc2c([nH]1)cccc2

STK583428
Synonyms: 3- (2- methoxyethyl)- 10- methyl- 2- phenylpyrimido[4,5- b]quinoline- 4,5(3H,10H)- dione
Smiles: COCCn1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)c1ccccc1

STK583429
Synonyms: 2- ({5- [(4- chlorophenoxy)methyl]- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2,3- dihydro- 1,4- benzodioxin- 6- yl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1COc1ccc(cc1)Cl

STK583430
Synonyms: N- (3- hydroxypropyl)- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine- 2- carboxamide
Smiles: OCCCNC(=O)c1nn2c(n1)c1c(nc2)sc2c1CCCC2

STK583431
Synonyms: 2- ({4- amino- 5- [5- (4- chlorophenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2,3- dimethylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1C)C)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)Cl

STK583432
Synonyms: N- (5- chloro- 2- methylphenyl)- 2- {[4- (furan- 2- ylmethyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(Cl)ccc1C)CSc1nnc(n1Cc1ccco1)Cc1cccs1

STK583433
Synonyms: (4E)- 6- [(2- ethylphenyl)amino]- 4- [(2- ethylphenyl)imino]- 4,5- dihydro- 1,3,5- triazin- 2- yl4- methylpiperidine- 1- carbodithioate
Smiles: CCc1ccccc1Nc1nc(n/c(=N/c2ccccc2CC)/[nH]1)SC(=S)N1CCC(CC1)C

STK583434
Synonyms: N- hexyl- 6,7- dimethoxy- 3,4- dihydroisoquinoline- 2(1H)- carbothioamide
Smiles: CCCCCCNC(=S)N1CCc2c(C1)cc(c(c2)OC)OC

STK583435
Synonyms: 8- benzyl- 5- (pyrrolidin- 1- yl)- 6,7,8,9- tetrahydropyrido[4',3':4,5]thieno[3,2- e]tetrazolo[1,5- a]pyrimidine
Smiles: c1ccc(cc1)CN1CCc2c(C1)sc1c2c(nc2n1nnn2)N1CCCC1

STK583437
Synonyms: (3,5- dichlorophenyl)(7- methylidene- 3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinolin- 8(7H)- yl)methanone
Smiles: Clc1cc(Cl)cc(c1)C(=O)N1CCc2c(C1=C)cc1c(c2)OCCCO1

STK583438
Synonyms: 2- (5,7- dihydroxy- 4- methyl- 2- oxo- 2H- chromen- 3- yl)- N- (pyridin- 2- ylmethyl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)c(O)cc(c2)O)NCc1ccccn1

STK583441
Synonyms: 4- ethyl- 9- (pyridin- 3- ylmethyl)- 9,10- dihydro- 2H,8H- chromeno[8,7- e][1,3]oxazin- 2- one
Smiles: CCc1cc(=O)oc2c1ccc1c2CN(CO1)Cc1cccnc1

STK583442
Synonyms: N- (2- bromophenyl)- 2- ({5- [(4- chlorophenoxy)methyl]- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccccc2Br)nnc1COc1ccc(cc1)Cl

STK583446
Synonyms: 6- chloro- 4- ethyl- 9- [3- (2- oxopyrrolidin- 1- yl)propyl]- 9,10- dihydro- 2H,8H- chromeno[8,7- e][1,3]oxazin- 2- one
Smiles: CCc1cc(=O)oc2c1cc(Cl)c1c2CN(CO1)CCCN1CCCC1=O

STK583448
Synonyms: methylN- [(2,4- dimethoxyphenyl)carbamoyl]- L- valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)Nc1ccc(cc1OC)OC

STK583449
Synonyms: 2- (furan- 2- yl)- 10- methyl- 3- propylpyrimido[4,5- b]quinoline- 4,5(3H,10H)- dione
Smiles: CCCn1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)c1ccco1

STK583451
Synonyms: 5- {4- [(4- chlorobenzyl)oxy]phenyl}- N'- [(E)- phenylmethylidene]- 1H- pyrazole- 3- carbohydrazide
Smiles: Clc1ccc(cc1)COc1ccc(cc1)c1[nH]nc(c1)C(=O)N/N=C/c1ccccc1

STK583452
Synonyms: 5- (3- chlorobenzyl)- 2- [(4,6- dimethylquinazolin- 2- yl)amino]- 6- methylpyrimidin- 4- ol
Smiles: Clc1cccc(c1)Cc1c(C)nc(nc1O)Nc1nc(C)c2c(n1)ccc(c2)C

STK583455
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(dimethylamino)methyl]- N'- [(1E)- 1- (4- methoxy- 3- nitrophenyl)ethylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1ccc(cc1[N+](=O)[O-])/C(=N/NC(=O)c1nnn(c1CN(C)C)c1nonc1N)/C

STK583457
Synonyms: methyl(8- {[4- (5- chloro- 2- methylphenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 2,6- dioxo- 1,2,3,6- tetrahydro- 7H- purin- 7- yl)acetate
Smiles: COC(=O)Cn1c(CN2CCN(CC2)c2cc(Cl)ccc2C)nc2c1c(=O)n(c(=O)n2C)C

STK583459
Synonyms: 6- (4- chlorophenyl)- 9- phenyl- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: Clc1ccc(cc1)C1CC(=C2C(=Nc3n(C2c2ccccc2)ncn3)C1)O

STK583460
Synonyms: (8S,8aR,11aS)- 10- (3,5- dimethylphenyl)- 9,11- dioxo- N- [3- (trifluoromethyl)phenyl]- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 8- carboxamide
Smiles: Cc1cc(C)cc(c1)N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)Nc2cccc(c2)C(F)(F)F)C=Cc2c1cccc2

STK583461
Synonyms: 2- {[5- (3- chlorophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (4- ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccccc1)c1cccc(c1)Cl

STK583462
Synonyms: (4E)- 2- (2,5- dimethoxyphenyl)- 4- ({[3- (morpholin- 4- yl)propyl]amino}methylidene)isoquinoline- 1,3(2H,4H)- dione
Smiles: COc1ccc(cc1N1C(=O)/C(=C/NCCCN2CCOCC2)/c2c(C1=O)cccc2)OC

STK583463
Synonyms: methyl4- methoxy- 3- [(9- methoxy- 5- oxo- 2,3- dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4- b]indol- 6(5H)- yl)methyl]benzoate
Smiles: COc1ccc2c(c1)c1nc3SCCn3c(=O)c1n2Cc1cc(ccc1OC)C(=O)OC

STK583464
Synonyms: methyl3,3,3- trifluoro- 2- [(2- phenylethyl)amino]- N- 1,3- thiazol- 2- ylalaninate
Smiles: COC(=O)C(C(F)(F)F)(Nc1nccs1)NCCc1ccccc1

STK583466
Synonyms: (5Z)- 3- (4- fluorophenyl)- 6- hydroxy- 5- {[1- (2- hydroxyphenyl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]methylidene}pyrimidine- 2,4(3H,5H)- dione
Smiles: Fc1ccc(cc1)N1C(=O)N=C(/C(=C/c2cc(n(c2C)c2ccccc2O)C)/C1=O)O

STK583468
Synonyms: 8- (3- methoxyphenyl)- 1,7- dimethyl- 3- (2- methylprop- 2- en- 1- yl)- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: COc1cccc(c1)n1c(C)cn2c1nc1c2c(=O)n(c(=O)n1C)CC(=C)C

STK583469
Synonyms: 2- (3- methoxyphenyl)- 7,7- dimethyl- 4- [(2- phenylethyl)sulfanyl]- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidine
Smiles: COc1cccc(c1)c1nc(SCCc2ccccc2)c2c(n1)CC(OC2)(C)C

STK583472
Synonyms: 3- [6- (2- bromo- 4,6- dimethylphenoxy)hexyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCCOc1c(C)cc(cc1Br)C

STK583473
Synonyms: N- (4- ethylphenyl)- 2- {[4- (4- methylphenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccccn1

STK583474
Synonyms: 2- {[4- amino- 5- (5- methyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [3- (trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CSc1nnc(n1N)c1n[nH]c(c1)C

STK583475
Synonyms: methylN- [(3- chlorophenyl)carbamoyl]- D- valinate
Smiles: COC(=O)[C@@H](C(C)C)NC(=O)Nc1cccc(c1)Cl

STK583477
Synonyms: 3- [4- (morpholin- 4- yl)- 4- oxobutyl]- 1,2,3- benzotriazin- 4(3H)- one
Smiles: O=C(N1CCOCC1)CCCn1nnc2c(c1=O)cccc2

STK583478
Synonyms: (2E)- 3- (2- chlorophenyl)- 1- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)prop- 2- en- 1- one
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)/C=C/c1ccccc1Cl

STK583479
Synonyms: 1'- butyl- 2'- hydroxy- 15,16- dihydro- 4'H,4bH,6H,7H- spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1- a]isoquinoline- 5,5'- pyrimidine]- 4',6',7(1'H)- trione
Smiles: CCCCN1C(=NC(=O)C2(C1=O)Cc1c(N3C2c2ccccc2CC3)nc2n(c1=O)cccc2)O

STK583480
Synonyms: 2- [(2,2- diethoxyethyl)sulfanyl]- 6- ethyl- 6- methyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: CCOC(CSc1nc(N)c2c(n1)sc1c2CC(OC1)(C)CC)OCC

STK583481
Synonyms: [(5Z)- 5- {2- [(2- chlorobenzyl)oxy]- 5- nitrobenzylidene}- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]aceticacid
Smiles: OC(=O)CN1C(=S)S/C(=C\c2cc(ccc2OCc2ccccc2Cl)[N+](=O)[O-])/C1=O

STK583482
Synonyms: N- (1,3- benzodioxol- 5- yl)- 4- [(4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)methyl]cyclohexanecarboxamide
Smiles: O=C(C1CCC(CC1)Cn1nnc2c(c1=O)cccc2)Nc1ccc2c(c1)OCO2

STK583483
Synonyms: 8- [(4- benzylpiperidin- 1- yl)methyl]- 1,3- dimethyl- 7- (2- methylpropyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC(Cn1c(CN2CCC(CC2)Cc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C)C

STK583484
Synonyms: 2- (2,4- diethoxyphenyl)- 5,6,7,8- tetrahydroquinoxaline1,4- dioxide
Smiles: CCOc1cc(OCC)ccc1c1c[n+]([O-])c2c([n+]1[O-])CCCC2

STK583485
Synonyms: N- [2- (4- chlorophenyl)- 4- (4- methoxyphenyl)- 6- methyl- 5- oxo- 2,5- dihydropyridazin- 3- yl]- 4- fluorobenzamide
Smiles: COc1ccc(cc1)c1c(=O)c(C)nn(c1NC(=O)c1ccc(cc1)F)c1ccc(cc1)Cl

STK583486
Synonyms: 2- (4- chlorophenyl)- 5H- [1,2,4]triazolo[5,1- a]isoindole
Smiles: Clc1ccc(cc1)c1nn2c(n1)c1c(C2)cccc1

STK583487
Synonyms: N- [(2E)- 6- methoxy- 1,3- benzothiazol- 2(3H)- ylidene]benzenesulfonamide
Smiles: COc1ccc2c(c1)s/c(=N/S(=O)(=O)c1ccccc1)/[nH]2

STK583488
Synonyms: 2- ({5- [(4- chlorophenoxy)methyl]- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2,5- dimethylphenyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cc(C)ccc2C)nnc1COc1ccc(cc1)Cl

STK583489
Synonyms: methylN- [(4- chlorophenyl)carbamoyl]- D- leucinate
Smiles: COC(=O)[C@H](NC(=O)Nc1ccc(cc1)Cl)CC(C)C

STK583491
Synonyms: 4- (furan- 2- yl)- 2- methyl- N- phenyl- 4,10- dihydropyrimido[1,2- a]benzimidazole- 3- carboxamide
Smiles: O=C(C1=C(C)N=c2n(C1c1ccco1)c1ccccc1[nH]2)Nc1ccccc1

STK583494
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3,5- dimethylphenyl)acetamide
Smiles: O=C(Nc1cc(C)cc(c1)C)CSc1nnc(n1C)c1cccc(c1)Cl

STK583495
Synonyms: 8- (5- chloro- 2- methylphenyl)- 1,7- dimethyl- 3- (2- oxopropyl)- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: CC(=O)Cn1c(=O)n(C)c2c(c1=O)n1cc(n(c1n2)c1cc(Cl)ccc1C)C

STK583496
Synonyms: 3- [(3a'S,6a'R)- 5'- (1,3- benzodioxol- 5- ylmethyl)- 5- fluoro- 2,4',6'- trioxo- 1,2,3',3a',4',5',6',6a'- octahydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 3'- yl]propanoicacid
Smiles: OC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)Cc1ccc3c(c1)OCO3)C(=O)Nc1c2cc(F)cc1

STK583497
Synonyms: 6- [(1,3- benzothiazol- 2- ylsulfanyl)methyl]- 2- (4,6- dimethylpyrimidin- 2- yl)- 4- hydroxy- 1,2- dihydro- 3H- pyrazolo[3,4- b]pyridin- 3- one
Smiles: Cc1cc(C)nc(n1)n1[nH]c2c(c1=O)c(O)cc(n2)CSc1nc2c(s1)cccc2

STK583498
Synonyms: 4- [(2E)- 2- (2,3- dimethoxybenzylidene)hydrazinyl]- 5- phenylthieno[2,3- d]pyrimidine
Smiles: COc1c(/C=N/Nc2ncnc3c2c(cs3)c2ccccc2)cccc1OC

STK583499
Synonyms: 5- (3- chlorophenyl)- 2- (naphthalen- 1- yl)- 4- phenyl- 1H- imidazole
Smiles: Clc1cccc(c1)c1[nH]c(nc1c1ccccc1)c1cccc2c1cccc2

STK583501
Synonyms: 2- (10- fluoro- 6- oxo- 3,4- dihydro- 2H- [1,3]thiazino[3',2':1,2]pyrimido[5,4- b]indol- 7(6H)- yl)- N- (3- methoxyphenyl)acetamide
Smiles: COc1cccc(c1)NC(=O)Cn1c2ccc(cc2c2c1c(=O)n1CCCSc1n2)F

STK583504
Synonyms: (10aS)- 2- (4- ethoxyphenyl)- 10,10a- dihydroimidazo[1,5- b]isoquinoline- 1,3(2H,5H)- dione
Smiles: CCOc1ccc(cc1)N1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK583505
Synonyms: 2- {[4- amino- 5- (5- methyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [2- chloro- 5- (trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cc(ccc1Cl)C(F)(F)F)CSc1nnc(n1N)c1n[nH]c(c1)C

STK583508
Synonyms: 3- (3,4- dimethylphenyl)- 2- methyl- 4H- thiochromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: Cc1ccc(cc1C)n1c(C)nc2c(c1=O)c(=O)c1c(s2)cccc1

STK583509
Synonyms: 6- hydroxy- 8- {(2E)- 2- [1- (4- hydroxyphenyl)ethylidene]hydrazinyl}- 3- methyl- 7- (naphthalen- 1- ylmethyl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: Oc1ccc(cc1)/C(=N/Nc1nc2c(n1Cc1cccc3c1cccc3)c(O)nc(=O)n2C)/C

STK583510
Synonyms: (E)- 1- (3,4- dimethoxyphenyl)- N- {[11- (furan- 2- yl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl]methoxy}methanimine
Smiles: COc1cc(/C=N/OCc2nn3c(n2)c2c(nc3)Oc3c(C2c2ccco2)c(C)nn3c2ccccc2)ccc1OC

STK583511
Synonyms: 1- amino- 2- [4- (furan- 2- ylcarbonyl)piperazin- 1- yl]- 4- [(2- hydroxyethyl)amino]anthracene- 9,10- dione
Smiles: OCCNc1cc(N2CCN(CC2)C(=O)c2ccco2)c(c2c1C(=O)c1c(C2=O)cccc1)N

STK583512
Synonyms: 4- (2- methylpropyl)- 7- (piperazin- 1- yl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CC(Cc1nc2sc3c(c2c2c1CCC2)ncnc3N1CCNCC1)C

STK583513
Synonyms: N- (4- ethoxyphenyl)- 2- ({4- (4- methoxyphenyl)- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)OC)COc1ccc(cc1)C

STK583515
Synonyms: 6- (furan- 2- ylmethyl)- 1- (3- methylphenyl)- 2- sulfanyl- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: Cc1cccc(c1)n1c(S)nc(=O)c2c1NCN(C2)Cc1ccco1

STK583516
Synonyms: 4- chloro- N- (2- methylpropyl)- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzenesulfonamide
Smiles: CC(CN(S(=O)(=O)c1ccc(cc1)Cl)Cc1cc2ccccc2[nH]c1=O)C

STK583518
Synonyms: 4- {[(E)- (4- fluorophenyl)methylidene]amino}- 5- (3,4,5- trimethoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)F

STK583519
Synonyms: 7- benzyl- 10- methoxy- 3,4- dihydro- 2H- [1,3]thiazino[3',2':1,2]pyrimido[5,4- b]indol- 6(7H)- one
Smiles: COc1ccc2c(c1)c1nc3SCCCn3c(=O)c1n2Cc1ccccc1

STK583520
Synonyms: (4E)- 5- (2- fluorophenyl)- 4- [hydroxy(4- methylphenyl)methylidene]pyrrolidine- 2,3- dione
Smiles: Cc1ccc(cc1)/C(=C/1\C(=O)C(=O)NC1c1ccccc1F)/O

STK583521
Synonyms: 9- (3- fluorophenyl)- 6- phenyl- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: Fc1cccc(c1)C1C2=C(O)CC(CC2=Nc2n1ncn2)c1ccccc1

STK583522
Synonyms: 7- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 10,11,12,13- tetrahydro[1]benzothieno[3,2- e]bis[1,2,4]triazolo[4,3- a:1',5'- c]pyrimidine
Smiles: CC(=C)CSc1nnc2n1c1sc3c(c1c1n2ncn1)CCCC3

STK583524
Synonyms: N- [5- chloro- 2- (1H- 1,2,4- triazol- 1- yl)phenyl]- 2- (7- methyl- 3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinolin- 8(7H)- yl)acetamide
Smiles: O=C(Nc1cc(Cl)ccc1n1ncnc1)CN1CCc2c(C1C)cc1c(c2)OCCCO1

STK583525
Synonyms: (2E,5E)- 2- [(4- methoxyphenyl)imino]- 5- [(2E)- 3- phenylprop- 2- en- 1- ylidene]- 2,5- dihydro- 1,3- thiazol- 4- ol
Smiles: COc1ccc(cc1)/N=C\1/S/C(=C/C=C/c2ccccc2)/C(=N1)O

STK583526
Synonyms: 3- (3- chlorophenyl)- 5- [(2- methylbenzyl)sulfanyl]- 4- (4- methylphenyl)- 4H- 1,2,4- triazole
Smiles: Cc1ccc(cc1)n1c(SCc2ccccc2C)nnc1c1cccc(c1)Cl

STK583529
Synonyms: 2- ({4- amino- 5- [5- (4- fluorophenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (3- chloro- 4- fluorophenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)Cl)F)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)F

STK583530
Synonyms: 7- (4- fluorobenzyl)- 1,3- dimethyl- 8- [(4- methylpiperidin- 1- yl)methyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC1CCN(CC1)Cc1nc2c(n1Cc1ccc(cc1)F)c(=O)n(c(=O)n2C)C

STK583532
Synonyms: N'- {(E)- [5- (2- methoxy- 5- nitrophenyl)furan- 2- yl]methylidene}pyridine- 4- carbohydrazide
Smiles: COc1ccc(cc1c1ccc(o1)/C=N/NC(=O)c1ccncc1)[N+](=O)[O-]

STK583533
Synonyms: (2'S,3S,3'S,10b'R)- 2'- [(3,4- dimethoxyphenyl)carbonyl]- 3'- [(3- methoxyphenyl)carbonyl]- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: COc1cccc(c1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(c(c1)OC)OC)C(=O)Nc1c2cccc1)cccc3

STK583534
Synonyms: 3- [(Z)- (3- butyl- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene)methyl]- 2- [4- (2- fluorophenyl)piperazin- 1- yl]- 9- methyl- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: CCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2ccccc2F)/C1=O

STK583536
Synonyms: 8- (3,4- dichlorophenyl)- 9- (5- methyl- 1,2- oxazol- 3- yl)- 8,9- dihydrobenzo[7,8]chromeno[2,3- c]pyrrole- 7,10- dione
Smiles: Cc1onc(c1)N1C(=O)c2c(C1c1ccc(c(c1)Cl)Cl)c(=O)c1c(o2)c2ccccc2cc1

STK583538
Synonyms: N- (1,3- benzodioxol- 5- yl)- 2- ({4- (furan- 2- ylmethyl)- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: O=C(Nc1ccc2c(c1)OCO2)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)C

STK583539
Synonyms: 5- (3- ethoxyphenyl)- 4- {[(E)- (3- methylthiophen- 2- yl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1sccc1C

STK583540
Synonyms: N- [4- (acetylamino)phenyl]- 2- hydroxy- 7- (4- methoxyphenyl)- 5- oxo- 3,4,5,6,7,8- hexahydroquinoline- 4- carboxamide
Smiles: COc1ccc(cc1)C1CC(=O)C2=C(C1)N=C(CC2C(=O)Nc1ccc(cc1)NC(=O)C)O

STK583541
Synonyms: pentyl{[7,7- dimethyl- 2- (3- methylphenyl)- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl]sulfanyl}acetate
Smiles: CCCCCOC(=O)CSc1nc(nc2c1COC(C2)(C)C)c1cccc(c1)C

STK583543
Synonyms: 3- [4- (piperidin- 1- ylsulfonyl)phenyl]- N- [3- (1H- tetrazol- 1- yl)phenyl]propanamide
Smiles: O=C(Nc1cccc(c1)n1cnnn1)CCc1ccc(cc1)S(=O)(=O)N1CCCCC1

STK583544
Synonyms: 4- {[(E)- (2,4- dichlorophenyl)methylidene]amino}- 5- (3- methylphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Clc1ccc(c(c1)Cl)/C=N/n1c(=S)[nH]nc1c1cccc(c1)C

STK583545
Synonyms: 9- (2- chlorophenyl)- 6- methyl- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CC1CC(=C2C(=Nc3n(C2c2ccccc2Cl)ncn3)C1)O

STK583547
Synonyms: (5E)- 6- hydroxy- 3- (4- iodophenyl)- 5- [(morpholin- 4- ylamino)methylidene]pyrimidine- 2,4(3H,5H)- dione
Smiles: Ic1ccc(cc1)N1C(=O)N=C(/C(=C\NN2CCOCC2)/C1=O)O

STK583548
Synonyms: N- (2- phenylethyl)- 9,10- dihydro- 8H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine- 2- carboxamide
Smiles: O=C(c1nn2c(n1)c1c(nc2)sc2c1CCC2)NCCc1ccccc1

STK583549
Synonyms: (3R)- 2,2- dimethyl- 5- oxo- N- [3- (propan- 2- yloxy)propyl]- 2,3,5,9b- tetrahydro[1,3]thiazolo[2,3- a]isoindole- 3- carboxamide
Smiles: CC(OCCCNC(=O)[C@H]1N2C(SC1(C)C)c1c(C2=O)cccc1)C

STK583550
Synonyms: 4- {[(E)- (2,6- dichlorophenyl)methylidene]amino}- 5- (pyridin- 2- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Clc1cccc(c1/C=N/n1c(=S)[nH]nc1c1ccccn1)Cl

STK583551
Synonyms: (2'S,3S,3'S,10b'R)- 2'- [(4- fluorophenyl)carbonyl]- 3'- [(3- nitrophenyl)carbonyl]- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: Fc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2cccc(c2)[N+](=O)[O-])N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK583553
Synonyms: 1- (4- methoxyphenyl)- 6- (2- phenylethyl)- 2- sulfanyl- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: COc1ccc(cc1)n1c(S)nc(=O)c2c1NCN(C2)CCc1ccccc1

STK583554
Synonyms: 4- methoxy- N- (2- methoxyethyl)- N- [(7- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzenesulfonamide
Smiles: COCCN(S(=O)(=O)c1ccc(cc1)OC)Cc1cc2ccc(cc2[nH]c1=O)C

STK583555
Synonyms: 9- (3- fluorophenyl)- 6- (4- methoxyphenyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: COc1ccc(cc1)C1CC(=C2C(=Nc3n(C2c2cccc(c2)F)ncn3)C1)O

STK583556
Synonyms: 2- chloro- 4- (5- {(E)- [1- (3- chlorophenyl)- 2- hydroxy- 5- oxo- 1,5- dihydro- 4H- imidazol- 4- ylidene]methyl}furan- 2- yl)benzoicacid
Smiles: Clc1cccc(c1)N1C(=N/C(=C/c2ccc(o2)c2ccc(c(c2)Cl)C(=O)O)/C1=O)O

STK583557
Synonyms: 4- [4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]- 1- methyl- 3- nitroquinolin- 2(1H)- one
Smiles: [O-][N+](=O)c1c(N2CCN(CC2)Cc2ccc3c(c2)OCO3)c2ccccc2n(c1=O)C

STK583558
Synonyms: 7- chloro- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1- [4- (propan- 2- yl)phenyl]- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Clc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1ccc(cc1)C(C)C)c1noc(c1)C

STK583559
Synonyms: 1- (3- chlorophenyl)- 6- (2- methoxyethyl)- 2- sulfanyl- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: COCCN1CNc2c(C1)c(=O)nc(n2c1cccc(c1)Cl)S

STK583561
Synonyms: 6- [2- (benzyloxy)ethyl]- 9- methoxy- 6H- indolo[2,3- b]quinoxaline
Smiles: COc1ccc2c(c1)c1nc3ccccc3nc1n2CCOCc1ccccc1

STK583562
Synonyms: 4- {[(E)- biphenyl- 4- ylmethylidene]amino}- 5- (4- tert- butylphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CC(c1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)c1ccccc1)(C)C

STK583563
Synonyms: (1'S,3R,3'S,7a'S)- 1'- [(4- chlorophenyl)carbonyl]- 5''- ethyl- 5',6',7',7a'- tetrahydro- 1'H- dispiro[indole- 3,2'- pyrrolizine- 3',3''- indole]- 2,2''(1H,1''H)- dione
Smiles: CCc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@H]2[C@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccc(cc1)Cl

STK583564
Synonyms: (4- chlorophenyl){4- [(1- methyl- 5- nitro- 1H- benzimidazol- 2- yl)methyl]piperazin- 1- yl}methanone
Smiles: Clc1ccc(cc1)C(=O)N1CCN(CC1)Cc1nc2c(n1C)ccc(c2)[N+](=O)[O-]

STK583565
Synonyms: 3- [11- (4- tert- butylphenyl)- 1- hydroxy- 3,3- dimethyl- 2,3,4,11- tetrahydro- 10H- dibenzo[b,e][1,4]diazepin- 10- yl]- 2- benzofuran- 1(3H)- one
Smiles: OC1=C2C(=Nc3c(N(C2c2ccc(cc2)C(C)(C)C)C2OC(=O)c4c2cccc4)cccc3)CC(C1)(C)C

STK583566
Synonyms: 4- methoxy- N'- {(E)- [4- (prop- 2- en- 1- yloxy)phenyl]methylidene}- 1H- indole- 2- carbohydrazide
Smiles: C=CCOc1ccc(cc1)/C=N/NC(=O)c1cc2c([nH]1)cccc2OC

STK583567
Synonyms: 3- (butylsulfanyl)- 8,8- dimethyl- 5- [(4- methylphenyl)amino]- 7,10- dihydro- 8H- pyrano[3,4- c][1,2,4]triazolo[4,3- a]pyridine- 6- carbonitrile
Smiles: CCCCSc1nnc2n1c(Nc1ccc(cc1)C)c(C#N)c1c2COC(C1)(C)C

STK583568
Synonyms: 2- {[4- amino- 5- (2,4,5,6- tetrahydrocyclopenta[c]pyrazol- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (4- fluorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)F)CSc1nnc(n1N)c1[nH]nc2c1CCC2

STK583569
Synonyms: N- (3- chlorophenyl)- 1- (4- chlorophenyl)- 4- (4- methylphenyl)- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: Cc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=O)Nc1cccc(c1)Cl)c1ccc(cc1)Cl

STK583570
Synonyms: 4- methyl- 6- oxo- 7,8,9,10- tetrahydro- 6H- benzo[c]chromen- 3- yl6- {[(4- methylphenyl)sulfonyl]amino}hexanoate
Smiles: O=C(Oc1ccc2c(c1C)oc(=O)c1c2CCCC1)CCCCCNS(=O)(=O)c1ccc(cc1)C

STK583571
Synonyms: (4E)- 2- (4- bromophenyl)- 4- {[(2- hydroxyethyl)amino]methylidene}isoquinoline- 1,3(2H,4H)- dione
Smiles: OCCN/C=C\1/C(=O)N(c2ccc(cc2)Br)C(=O)c2c1cccc2

STK583572
Synonyms: 2- {[5- (2- chlorophenyl)- 4- (4- ethoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (4- methylphenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C)nnc1c1ccccc1Cl

STK583573
Synonyms: 2- [5- (4- chlorophenyl)- 7- (4- fluorophenyl)- 3,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]- 1H- isoindole- 1,3(2H)- dione
Smiles: Fc1ccc(cc1)C1C=C(N=c2n1nc([nH]2)N1C(=O)c2c(C1=O)cccc2)c1ccc(cc1)Cl

STK583574
Synonyms: 1,6- dioxo- 1,6- bis[(tetrahydrofuran- 2- ylmethyl)amino]hexane- 2,3,4,5- tetrayltetraacetate(non- preferredname)
Smiles: CC(=O)OC(C(C(=O)NCC1CCCO1)OC(=O)C)C(C(C(=O)NCC1CCCO1)OC(=O)C)OC(=O)C

STK583576
Synonyms: 9- (2,3- dimethoxyphenyl)- 6- (2- hydroxyphenyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: COc1cccc(c1OC)C1C2=C(O)CC(CC2=Nc2n1ncn2)c1ccccc1O

STK583577
Synonyms: (5Z)- 5- (3,4- dihydroxybenzylidene)- 3- (1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: S=C1S/C(=C\c2ccc(c(c2)O)O)/C(=O)N1c1c(C)n(n(c1=O)c1ccccc1)C

STK583578
Synonyms: ethyl4- ({4- [(hexyloxy)carbonyl]phenyl}amino)- 6- methylquinoline- 3- carboxylate
Smiles: CCCCCCOC(=O)c1ccc(cc1)Nc1c(cnc2c1cc(C)cc2)C(=O)OCC

STK583579
Synonyms: N- (3- fluorophenyl)- 4- [(4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)methyl]cyclohexanecarboxamide
Smiles: Fc1cccc(c1)NC(=O)C1CCC(CC1)Cn1nnc2c(c1=O)cccc2

STK583581
Synonyms: 8- amino- N- (2- fluoro- 4- methylphenyl)- 3,4- dihydro- 2H- 1,4- ethanothieno[2,3- b][1,5]naphthyridine- 7- carboxamide
Smiles: Cc1ccc(c(c1)F)NC(=O)c1sc2c(c1N)cc1c(n2)C2CCN1CC2

STK583582
Synonyms: 2- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)- N- (furan- 2- ylmethyl)acetamide
Smiles: COc1cc2CN(CCc2cc1OC)CC(=O)NCc1ccco1

STK583583
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (3- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3,4- dichlorophenyl)acetamide
Smiles: COc1cccc(c1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1ccc(c(c1)Cl)Cl

STK583584
Synonyms: 4- {[(E)- (5- bromothiophen- 2- yl)methylidene]amino}- 5- (3- chlorophenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Clc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(s1)Br

STK583585
Synonyms: (4E)- 4- ({[3- (diethylamino)propyl]amino}methylidene)- 2- (2,5- dimethoxyphenyl)isoquinoline- 1,3(2H,4H)- dione
Smiles: CCN(CCCN/C=C/1\c2ccccc2C(=O)N(C1=O)c1cc(OC)ccc1OC)CC

STK583586
Synonyms: (4E)- 5- (4- ethylphenyl)- 4- [hydroxy(phenyl)methylidene]- 1- (5- methyl- 1,2- oxazol- 3- yl)pyrrolidine- 2,3- dione
Smiles: CCc1ccc(cc1)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1noc(c1)C

STK583587
Synonyms: N- {4- [(7- methyl- 3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinolin- 8(7H)- yl)sulfonyl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCc2c(C1C)cc1c(c2)OCCCO1

STK583588
Synonyms: 4- {(E)- [5- iminio- 2- (4- methylpiperidin- 1- yl)- 7- oxo- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 6(7H)- ylidene]methyl}phenolate
Smiles: CC1CCN(CC1)c1nn2c(=NC(=O)/C(=C/c3ccc(cc3)[O-])/C2=[NH2+])s1

STK583589
Synonyms: N'- {(1E)- 1- [4- hydroxy- 1- (2- methylphenyl)- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]propyl}pentanehydrazide
Smiles: CCCCC(=O)NN/C(=C/1\C(=NC(=O)N(C1=O)c1ccccc1C)O)/CC

STK583590
Synonyms: 4- {[(E)- (3- bromo- 4- hydroxy- 5- methoxyphenyl)methylidene]amino}- 5- (3,4,5- trimethoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1cc(Br)c(c(c1)OC)O

STK583591
Synonyms: 2- {[5- (benzylsulfanyl)- 1,3,4- thiadiazol- 2- yl]sulfanyl}- N- (3,4- dichlorophenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)Cl)Cl)CSc1nnc(s1)SCc1ccccc1

STK583593
Synonyms: 8- [4- (4- fluorobenzyl)piperazin- 1- yl]- 6- hydroxy- 3- methyl- 7- (3- methylbutyl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: CC(CCn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)Cc1ccc(cc1)F)C

STK583594
Synonyms: (3S,3a'R,8a'S,8b'S)- 2'- benzyl- 5- chloro- 7- methyl- 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: Clc1cc(C)c2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)Cc1ccccc1

STK583595
Synonyms: N- [3- (4- bromophenyl)- 4- oxo- 4H- thiochromen- 2- yl]- 2- methoxybenzamide
Smiles: COc1ccccc1C(=O)Nc1sc2ccccc2c(=O)c1c1ccc(cc1)Br

STK583599
Synonyms: 3- methoxy- N- [(8- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (pyridin- 3- ylmethyl)benzamide
Smiles: COc1cccc(c1)C(=O)N(Cc1cc2cccc(c2[nH]c1=O)C)Cc1cccnc1

STK583601
Synonyms: (3a'S,6a'R)- 5- chloro- 5'- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 3'- (3,4- dihydroxybenzyl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: Clc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc3c(c1)OCCO3)Cc1ccc(c(c1)O)O)C(=O)N2

STK583602
Synonyms: 3- (3- chlorophenyl)- 7- methyl- 2- (morpholin- 4- yl)- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c(n1)N1CCOCC1)c1cccc(c1)Cl

STK583603
Synonyms: 8- amino- 3- benzyl- 2',6'- dihydroxy- 2,3,4,4a- tetrahydro- 1H,4'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidin]- 4'- one
Smiles: OC1=NC(=O)C2(C(=N1)O)Cc1cc(N)ccc1N1C2CN(CC1)Cc1ccccc1

STK583604
Synonyms: 2,5- dimethyl- 6- (2- methylbenzyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: Cc1nn2c(n1)nc(c(c2O)Cc1ccccc1C)C

STK583605
Synonyms: 2- ({4- amino- 5- [5- (4- methylphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- [4- chloro- 2- (trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1ccc(cc1C(F)(F)F)Cl)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)C

STK583606
Synonyms: (5E)- 1- (2- chlorophenyl)- 5- [(piperidin- 1- ylamino)methylidene]- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C/NN1CCCCC1)c1ccccc1Cl

STK583608
Synonyms: 3- (7- methyl- 6H- indolo[2,3- b]quinoxalin- 6- yl)propyl2- chlorobenzoate
Smiles: O=C(c1ccccc1Cl)OCCCn1c2nc3ccccc3nc2c2c1c(C)ccc2

STK583609
Synonyms: 16- (3- chloro- 5- methoxy- 4- propoxyphenyl)- 2,3,4,6,7,11,12,16- octahydro- 1H,10H- [1,4]dioxepino[2',3':6,7]isoquino[2,1- a]quinolin- 1- one
Smiles: CCCOc1c(Cl)cc(cc1OC)C1C=C2N(C3=C1C(=O)CCC3)CCc1c2cc2OCCCOc2c1

STK583610
Synonyms: 1- hydroxy- 5- methyl- 9- oxo- 9H- xanthen- 3- ylN- [(benzyloxy)carbonyl]norvalinate
Smiles: CCCC(C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1C)NC(=O)OCc1ccccc1

STK583611
Synonyms: (4E)- 2- (2- methoxyphenyl)- 4- ({[2- (4- methoxyphenyl)ethyl]amino}methylidene)isoquinoline- 1,3(2H,4H)- dione
Smiles: COc1ccc(cc1)CCN/C=C/1\c2ccccc2C(=O)N(C1=O)c1ccccc1OC

STK583613
Synonyms: 4- ({(E)- [3- (benzyloxy)phenyl]methylidene}amino)- 5- [4- (dimethylamino)phenyl]- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CN(c1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1cccc(c1)OCc1ccccc1)C

STK583614
Synonyms: (E)- [2- (3- bromo- 4- hydroxy- 5- methoxyphenyl)- 4,5- dioxo- 1- (pyridinium- 4- ylmethyl)pyrrolidin- 3- ylidene](2,3- dihydro- 1,4- benzodioxin- 6- yl)methanolate
Smiles: COc1cc(cc(c1O)Br)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1Cc1cc[nH+]cc1

STK583615
Synonyms: methyl2- {[(6- methoxy- 6- oxohexyl)carbamoyl]amino}benzoate
Smiles: COC(=O)CCCCCNC(=O)Nc1ccccc1C(=O)OC

STK583616
Synonyms: 4- hydroxy- 8- (2- hydroxyphenyl)- 1,6,7- trimethyl- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: O=c1nc(O)c2c(n1C)nc1n2c(C)c(n1c1ccccc1O)C

STK583617
Synonyms: methyl4- [7- bromo- 2- (2- hydroxyethyl)- 3,9- dioxo- 1,2,3,9- tetrahydrochromeno[2,3- c]pyrrol- 1- yl]benzoate
Smiles: OCCN1C(=O)c2c(C1c1ccc(cc1)C(=O)OC)c(=O)c1c(o2)ccc(c1)Br

STK583619
Synonyms: N- [4- (dimethylamino)phenyl]- 2- (2- hydroxy- 4- oxoquinazolin- 3(4H)- yl)acetamide
Smiles: O=C(Cn1c(O)nc2c(c1=O)cccc2)Nc1ccc(cc1)N(C)C

STK583621
Synonyms: N- [4- (butan- 2- yl)phenyl]- 2- {[5- (2- methoxyphenyl)- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)C(CC)C)nnc1c1ccccc1OC

STK583622
Synonyms: (5E)- 3- benzyl- 5- {1- [(4- fluorophenyl)amino]propylidene}- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)Cc1ccccc1)O)/Nc1ccc(cc1)F

STK583623
Synonyms: (2Z)- 2- (7,8- dihydro[1,3]dioxolo[4,5- g]isoquinolin- 5(6H)- ylidene)- 1- [4- (trifluoromethyl)phenyl]ethanone
Smiles: O=C(c1ccc(cc1)C(F)(F)F)/C=C/1\NCCc2c1cc1OCOc1c2

STK583624
Synonyms: (5E)- 5- [1- (azepan- 1- ylamino)propylidene]- 6- hydroxy- 3- (2- methylphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1C)O)/NN1CCCCCC1

STK583626
Synonyms: (3S)- N- {(2S)- 4- methyl- 1- [(4- methylphenyl)amino]- 1- oxopentan- 2- yl}- 1,2,3,4- tetrahydroisoquinoline- 3- carboxamide
Smiles: CC(C[C@@H](C(=O)Nc1ccc(cc1)C)NC(=O)[C@H]1NCc2c(C1)cccc2)C

STK583627
Synonyms: N- {4- [(5- {(Z)- [1- (4- chlorophenyl)- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}- 2- methoxybenzyl)oxy]phenyl}acetamide
Smiles: COc1ccc(cc1COc1ccc(cc1)NC(=O)C)/C=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)Cl)O

STK583630
Synonyms: 7- (4- ethoxy- 3- methoxyphenyl)- 6- (4- methoxyphenyl)- 2- methyl- 7,12- dihydro- 6H- chromeno[4,3- d][1,2,4]triazolo[1,5- a]pyrimidine
Smiles: CCOc1ccc(cc1OC)C1C2=C(Nc3n1ncn3)c1c(OC2c2ccc(cc2)OC)ccc(c1)C

STK583631
Synonyms: (3a'S,6a'R)- 3'- (4- hydroxybenzyl)- 5'- (2- methoxyethyl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: COCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(cc2)O)C(=O)Nc2c1cccc2

STK583633
Synonyms: 8- [(3- methylpiperidinium- 1- yl)methyl]- 4- oxo- 3- phenyl- 2- (trifluoromethyl)- 4H- chromen- 7- olate
Smiles: CC1CCC[NH+](C1)Cc1c([O-])ccc2c1oc(c(c2=O)c1ccccc1)C(F)(F)F

STK583635
Synonyms: 1- ({4- amino- 5- [5- (4- fluorophenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)propan- 2- one
Smiles: CC(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)F

STK583636
Synonyms: 2- (3- cyclohexyl- 2,4- dioxo- 3,4,6,7,8,9- hexahydro- 2H- cyclohepta[4,5]thieno[2,3- d]pyrimidin- 1(5H)- yl)acetamide
Smiles: NC(=O)Cn1c2sc3c(c2c(=O)n(c1=O)C1CCCCC1)CCCCC3

STK583637
Synonyms: 2,4- dichloro- N'- {4- [(5Z)- 5- (4- methylbenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]butanoyl}benzohydrazide
Smiles: O=C(NNC(=O)c1ccc(cc1Cl)Cl)CCCN1C(=S)S/C(=C\c2ccc(cc2)C)/C1=O

STK583638
Synonyms: 7- heptyl- 8- {[4- (4- methoxyphenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCCCn1c(CN2CCN(CC2)c2ccc(cc2)OC)nc2c1c(=O)n(c(=O)n2C)C

STK583640
Synonyms: 4- [(3E)- 3- [hydroxy(phenyl)methylidene]- 2- (3- nitrophenyl)- 4,5- dioxopyrrolidin- 1- yl]butanoicacid
Smiles: OC(=O)CCCN1C(=O)C(=O)/C(=C(\c2ccccc2)/O)/C1c1cccc(c1)[N+](=O)[O-]

STK583641
Synonyms: 5- (4- chlorophenyl)- 1,3- dimethyl- 10- (1- methyl- 1H- indol- 3- yl)- 1,7,8,10- tetrahydro- 2H- pyrimido[4',5':3,4]pyrrolo[2,1- c][1,4]oxazine- 2,4(3H)- dione
Smiles: Clc1ccc(cc1)c1c2c(c3n1CCOC3c1cn(c3c1cccc3)C)n(C)c(=O)n(c2=O)C

STK583642
Synonyms: 2- methyl- 3- (4- propoxyphenyl)- 6,7- dihydro- 5H- cyclopenta[b]pyrazine1,4- dioxide
Smiles: CCCOc1ccc(cc1)c1c(C)[n+]([O-])c2c([n+]1[O-])CCC2

STK583643
Synonyms: (4E)- 1- hexyl- 4- [hydroxy(4- methylphenyl)methylidene]- 5- (2- methoxyphenyl)pyrrolidine- 2,3- dione
Smiles: CCCCCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)C)/O)/C1c1ccccc1OC

STK583644
Synonyms: 3- (3- chlorophenyl)- 4- (furan- 2- ylmethyl)- 5- {[(2E)- 3- phenylprop- 2- en- 1- yl]sulfanyl}- 4H- 1,2,4- triazole
Smiles: Clc1cccc(c1)c1nnc(n1Cc1ccco1)SC/C=C/c1ccccc1

STK583645
Synonyms: 9- (3,4- dimethylphenyl)- 3- (3- hydroxypropyl)- 1- methyl- 6,7,8,9- tetrahydropyrimido[2,1- f]purine- 2,4(1H,3H)- dione
Smiles: OCCCn1c(=O)n(C)c2c(c1=O)n1CCCN(c1n2)c1ccc(c(c1)C)C

STK583646
Synonyms: (2'S,3S,3'S,10b'R)- 2'- [(2,4- dimethoxyphenyl)carbonyl]- 3'- [(2- methoxyphenyl)carbonyl]- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: COc1ccc(c(c1)OC)C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2OC)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK583647
Synonyms: N- [2- (2- {(E)- [1- (4- bromophenyl)- 2,4,6- trioxotetrahydropyrimidin- 5(2H)- ylidene]methyl}- 1H- indol- 3- yl)ethyl]- N- ethylacetamide
Smiles: CCN(C(=O)C)CCc1c(/C=C/2\C(=O)NC(=O)N(C2=O)c2ccc(cc2)Br)[nH]c2c1cccc2

STK583648
Synonyms: N- {2- hydroxy- 1- [2- (2- methoxyphenyl)ethyl]- 5- oxo- 4- (trifluoromethyl)- 4,5- dihydro- 1H- imidazol- 4- yl}benzamide
Smiles: COc1ccccc1CCN1C(=NC(C1=O)(NC(=O)c1ccccc1)C(F)(F)F)O

STK583649
Synonyms: 8- [(diethylammonio)methyl]- 3- (2- ethoxyphenoxy)- 4- oxo- 4H- chromen- 7- olate
Smiles: CCOc1ccccc1Oc1coc2c(c1=O)ccc(c2C[NH+](CC)CC)[O-]

STK583651
Synonyms: 6- [(10aS)- 1,3- dioxo- 1,5,10,10a- tetrahydroimidazo[1,5- b]isoquinolin- 2(3H)- yl]- N- propylhexanamide
Smiles: CCCNC(=O)CCCCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK583654
Synonyms: 2- {[5- (3- chlorophenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 1- (4- fluorophenyl)ethanone
Smiles: Cc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)F)nnc1c1cccc(c1)Cl

STK583656
Synonyms: (4Z)- 6- {[4- (2- fluorophenyl)piperazin- 1- yl]methyl}- 4- (phenylimino)- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: Nc1nc(CN2CCN(CC2)c2ccccc2F)[nH]/c(=N/c2ccccc2)/n1

STK583660
Synonyms: 10- methyl- N- (4- methylphenyl)- 8- (4- nitrophenyl)- 11- propyl- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: CCCC1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(cc1)C)c1ccc(cc1)[N+](=O)[O-]

STK583661
Synonyms: 2- chloro- 6- oxo- 7,8,9,10- tetrahydro- 6H- benzo[c]chromen- 3- ylN- [(4- methylphenyl)sulfonyl]- L- isoleucinate
Smiles: CC[C@H]([C@@H](C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)NS(=O)(=O)c1ccc(cc1)C)C

STK583663
Synonyms: 2- ({5- [(4- chlorophenoxy)methyl]- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2- ethylphenyl)acetamide
Smiles: CCc1ccccc1NC(=O)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)Cl

STK583665
Synonyms: N'- [(E)- (2,3- dimethoxyphenyl)methylidene]- 5- ethoxy- 1H- indole- 2- carbohydrazide
Smiles: CCOc1ccc2c(c1)cc([nH]2)C(=O)N/N=C/c1cccc(c1OC)OC

STK583666
Synonyms: 2- ({4- amino- 5- [5- (4- chlorophenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- [3,5- bis(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)Cl

STK583667
Synonyms: (E)- {1- [2- (diethylammonio)ethyl]- 2- (3- nitrophenyl)- 4,5- dioxopyrrolidin- 3- ylidene}(4- nitrophenyl)methanolate
Smiles: CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)[N+](=O)[O-])/[O-])/C1c1cccc(c1)[N+](=O)[O-])CC

STK583672
Synonyms: N- {1- [1- (2- chlorobenzyl)- 1H- benzimidazol- 2- yl]- 3- methyl- 1H- pyrazol- 5- yl}- 3- methyl- 4- nitrobenzamide
Smiles: Cc1nn(c(c1)NC(=O)c1ccc(c(c1)C)[N+](=O)[O-])c1nc2c(n1Cc1ccccc1Cl)cccc2

STK583673
Synonyms: 4- {[(E)- (3,4- dichlorophenyl)methylidene]amino}- 5- (3,4,5- trimethoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1ccc(c(c1)Cl)Cl

STK583675
Synonyms: 1- {[7- (2- methoxyethyl)- 1,3- dimethyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 8- yl]methyl}piperidine- 4- carboxamide
Smiles: COCCn1c(CN2CCC(CC2)C(=O)N)nc2c1c(=O)n(c(=O)n2C)C

STK583676
Synonyms: 6- benzyl- 2- [(2- chlorobenzyl)sulfanyl]- 5- methyl[1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: Clc1ccccc1CSc1nn2c(n1)nc(c(c2O)Cc1ccccc1)C

STK583678
Synonyms: 2- (6- fluoro- 1,3- benzothiazol- 2- yl)- 1- [4- (propan- 2- yloxy)phenyl]- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CC(Oc1ccc(cc1)C1N(c2sc3c(n2)ccc(c3)F)C(=O)c2c1c(=O)c1c(o2)cccc1)C

STK583680
Synonyms: 8,10- dimethyl- 4- (4- methylpiperazin- 1- yl)- 2- propylpyrido[2',3':3,4]pyrazolo[1,5- a]pyrimidine
Smiles: CCCc1cc(N2CCN(CC2)C)n2c(n1)c1c(C)cc(nc1n2)C

STK583681
Synonyms: N- (3,4- dimethoxybenzyl)- 2- {2,2- dimethyl- 4- [3- (trifluoromethyl)phenyl]tetrahydro- 2H- pyran- 4- yl}ethanamine
Smiles: COc1cc(CNCCC2(CCOC(C2)(C)C)c2cccc(c2)C(F)(F)F)ccc1OC

STK583682
Synonyms: 2- ({6- cyano- 8,8- dimethyl- 5- [(4- methylphenyl)amino]- 7,10- dihydro- 8H- pyrano[3,4- c][1,2,4]triazolo[4,3- a]pyridin- 3- yl}sulfanyl)- N- (1,3- thiazol- 2- yl)acetamide
Smiles: N#Cc1c(Nc2ccc(cc2)C)n2c(SCC(=O)Nc3nccs3)nnc2c2c1CC(C)(C)OC2

STK583684
Synonyms: 1,3- dimethyl- 7- pentyl- 8- [(4- phenylpiperazin- 1- yl)methyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCCn1c(CN2CCN(CC2)c2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK583685
Synonyms: 2- [(7,7- dimethyl- 2- phenyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl)sulfanyl]- N- (4- ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nc(nc2c1COC(C2)(C)C)c1ccccc1

STK583686
Synonyms: N- [(2Z)- 3- (2- fluorophenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]acetamide
Smiles: CC(=O)/N=C/1\SC2C(N1c1ccccc1F)CS(=O)(=O)C2

STK583687
Synonyms: N- (4- fluorophenyl)- 6- methoxy- 1H- indole- 2- carboxamide
Smiles: COc1ccc2c(c1)[nH]c(c2)C(=O)Nc1ccc(cc1)F

STK583688
Synonyms: N- [4- (butan- 2- yl)phenyl]- 2- {[4- (4- methoxyphenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCC(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)OC)c1ccccn1)C

STK583689
Synonyms: 1- (2,3- dimethylphenyl)- 6- (1- phenylethyl)- 2- sulfanyl- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: CC(N1CNc2c(C1)c(=O)nc(n2c1cccc(c1C)C)S)c1ccccc1

STK583691
Synonyms: (E)- (4- chlorophenyl){1- [2- (diethylammonio)ethyl]- 2- (2,4- dimethoxyphenyl)- 4,5- dioxopyrrolidin- 3- ylidene}methanolate
Smiles: CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/[O-])/C1c1ccc(cc1OC)OC)CC

STK583692
Synonyms: 2- [(2E)- 2- (2- carbamothioylhydrazinylidene)cyclohexyl]pyridine- 4- carboxylicacid
Smiles: NC(=S)N/N=C/1\CCCCC1c1nccc(c1)C(=O)O

STK583694
Synonyms: (4E)- 1- hexadecyl- 4- [hydroxy(4- methylphenyl)methylidene]- 5- (4- methoxyphenyl)pyrrolidine- 2,3- dione
Smiles: CCCCCCCCCCCCCCCCN1C(c2ccc(cc2)OC)/C(=C(/c2ccc(cc2)C)\O)/C(=O)C1=O

STK583696
Synonyms: 2- ethyl- 1- phenyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCN1C(=O)c2c(C1c1ccccc1)c(=O)c1c(o2)cccc1

STK583697
Synonyms: 2- ({5- [(4- chlorophenoxy)methyl]- 4- (4- ethoxyphenyl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2- methoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2OC)nnc1COc1ccc(cc1)Cl

STK583699
Synonyms: N- (3- ethoxypropyl)- 8- methyl- 6,7,8,9- tetrahydropyrido[4',3':4,5]thieno[3,2- e]tetrazolo[1,5- a]pyrimidin- 5- amine
Smiles: CCOCCCNc1nc2nnnn2c2c1c1CCN(Cc1s2)C

STK583700
Synonyms: (3a'S,6a'R)- 3'- benzyl- 5'- tert- butyl- 7- chloro- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: O=C1[C@@H]2C(Cc3ccccc3)NC3([C@@H]2C(=O)N1C(C)(C)C)C(=O)Nc1c3cccc1Cl

STK583702
Synonyms: 3'- (4- ethylphenyl)- 6'- hydroxy- 2,4- dimethyl- 8- nitro- 1,2,4,4a- tetrahydro- 2'H,6H- spiro[1,4- oxazino[4,3- a]quinoline- 5,5'- pyrimidine]- 2',4'(3'H)- dione
Smiles: CCc1ccc(cc1)N1C(=O)N=C(C2(C1=O)Cc1cc(ccc1N1C2C(C)OC(C1)C)[N+](=O)[O-])O

STK583703
Synonyms: 4- {[(E)- (3,4- dichlorophenyl)methylidene]amino}- 5- (4- fluorophenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Fc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(c(c1)Cl)Cl

STK583704
Synonyms: 1- {5- chloro- 4- [(3- hydroxyphenyl)amino]- 6- oxopyridazin- 1(6H)- yl}tricyclo[3.3.1.1~3,7~]decane- 2- carboxylicacid
Smiles: Oc1cccc(c1)Nc1cnn(c(=O)c1Cl)C12CC3CC(C1)CC(C2C(=O)O)C3

STK583705
Synonyms: (4E)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 5- [3- ethoxy- 4- (3- methylbutoxy)phenyl]- 1- (6- methyl- 1,3- benzothiazol- 2- yl)pyrrolidine- 2,3- dione
Smiles: CCOc1cc(ccc1OCCC(C)C)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)C

STK583708
Synonyms: 2- ({4- amino- 5- [5- (4- chlorophenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (3,4- dimethoxyphenyl)acetamide
Smiles: COc1cc(ccc1OC)NC(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)Cl

STK583709
Synonyms: (5Z)- 3- (4- chlorophenyl)- 6- hydroxy- 5- {[1- (3- hydroxyphenyl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]methylidene}pyrimidine- 2,4(3H,5H)- dione
Smiles: Clc1ccc(cc1)N1C(=O)N=C(/C(=C/c2cc(n(c2C)c2cccc(c2)O)C)/C1=O)O

STK583710
Synonyms: (4E)- 1- (furan- 2- ylmethyl)- 4- [hydroxy(3- nitrophenyl)methylidene]- 5- (pyridin- 3- yl)pyrrolidine- 2,3- dione
Smiles: O/C(=C\1/C(=O)C(=O)N(C1c1cccnc1)Cc1ccco1)/c1cccc(c1)[N+](=O)[O-]

STK583711
Synonyms: N- (4- ethoxyphenyl)- 2- methyl- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]propanamide
Smiles: CCOc1ccc(cc1)N(C(=O)C(C)C)Cc1cc2ccccc2[nH]c1=O

STK583713
Synonyms: N- [(2E)- 3- [4- (diethylamino)phenyl]- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]cyclohexanecarboxamide
Smiles: CCN(c1ccc(cc1)N1/C(=N\C(=O)C2CCCCC2)/SC2C1CS(=O)(=O)C2)CC

STK583714
Synonyms: (3S)- N- (4- methylbenzyl)- 1,2,3,4- tetrahydroisoquinoline- 3- carboxamide
Smiles: O=C([C@H]1NCc2c(C1)cccc2)NCc1ccc(cc1)C

STK583715
Synonyms: (5- chloro- 6- methyl- 1- benzofuran- 3- yl)aceticacid
Smiles: OC(=O)Cc1coc2c1cc(Cl)c(c2)C

STK583717
Synonyms: N- (4- fluorophenyl)- 2- (2- oxo- 5a,11b- dihydro- 2H,5H- chromeno[4',3':4,5]thiopyrano[2,3- d][1,3]thiazol- 3(6H)- yl)acetamide
Smiles: O=C(Cn1c(=O)sc2c1SCC1C2c2ccccc2OC1)Nc1ccc(cc1)F

STK583718
Synonyms: 6- ethyl- 10- methyl- 3- [3- (trifluoromethyl)benzyl]- 3,4- dihydro- 2H,8H- chromeno[6,7- e][1,3]oxazin- 8- one
Smiles: CCc1cc(=O)oc2c1cc1CN(COc1c2C)Cc1cccc(c1)C(F)(F)F

STK583719
Synonyms: 2- (4- phenylpiperazin- 1- yl)- N- [(2E)- 4- phenyl- 1,3- thiazol- 2(3H)- ylidene]acetamide
Smiles: O=C(/N=c\1/scc([nH]1)c1ccccc1)CN1CCN(CC1)c1ccccc1

STK583720
Synonyms: 3- cyclohexyl- N- (3- ethoxy- 4- methoxybenzyl)- 3- [4- (propan- 2- yloxy)phenyl]propan- 1- amine
Smiles: CCOc1cc(CNCCC(c2ccc(cc2)OC(C)C)C2CCCCC2)ccc1OC

STK583721
Synonyms: methyl3- {[(3,4- dimethoxyphenyl)sulfonyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NS(=O)(=O)c1ccc(c(c1)OC)OC)cccc2

STK583722
Synonyms: 8- (3- chlorophenyl)- 3- (2- methoxyethyl)- 1- methyl- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: COCCn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1cccc(c1)Cl

STK583724
Synonyms: 12- chloro- 3- (pyridin- 3- ylmethyl)- 3,4,7,8,9,10- hexahydro- 2H,6H- benzo[3,4]chromeno[8,7- e][1,3]oxazin- 6- one
Smiles: Clc1cc2c(c3c1OCN(C3)Cc1cccnc1)oc(=O)c1c2CCCC1

STK583725
Synonyms: 3- [(2,6- difluorobenzyl)sulfanyl]- 4- (furan- 2- ylmethyl)- 5- (3- methoxyphenyl)- 4H- 1,2,4- triazole
Smiles: COc1cccc(c1)c1nnc(n1Cc1ccco1)SCc1c(F)cccc1F

STK583726
Synonyms: 7- butyl- 8- {[4- (3- chlorophenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCCCn1c(CN2CCN(CC2)c2cccc(c2)Cl)nc2c1c(=O)n(c(=O)n2C)C

STK583727
Synonyms: ethyl6- ethyl- 4- (naphthalen- 1- ylamino)quinoline- 3- carboxylate
Smiles: CCOC(=O)c1cnc2c(c1Nc1cccc3c1cccc3)cc(cc2)CC

STK583728
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)- 3- [4- (benzyloxy)phenyl]- 6- [2- (dimethylamino)ethyl]- 4a,7a,8,8a- tetrahydro- 3aH- 4,8- methano[1,2]oxazolo[4,5- f]isoindole- 5,7(4H,6H)- dione
Smiles: CN(CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@H]2[C@@H]1ON=C2c1ccc(cc1)OCc1ccccc1)C

STK583729
Synonyms: 4- {[(E)- (4- chlorophenyl)methylidene]amino}- 5- (4- fluorophenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Fc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)Cl

STK583730
Synonyms: N'- {(E)- [1- (2- methoxyphenyl)- 4,6- dioxo- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene]methyl}heptanehydrazide
Smiles: CCCCCCC(=O)NN/C=C/1\C(=O)N=C(N(C1=O)c1ccccc1OC)S

STK583731
Synonyms: 6- ethyl- 4- [(4- fluorobenzyl)sulfanyl]- 6- methyl- 2- (methylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCC1(C)OCc2c(C1)c1c(SCc3ccc(cc3)F)nc(nc1s2)SC

STK583732
Synonyms: N- (4- chloro- 2- methylphenyl)- 2- {[4- (4- chlorophenyl)- 5- (2- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccccc1c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1ccc(cc1C)Cl

STK583733
Synonyms: 5- benzyl- 6- methyl- 2- (4- methylpiperazin- 1- yl)pyrimidin- 4- ol
Smiles: CN1CCN(CC1)c1nc(C)c(c(n1)O)Cc1ccccc1

STK583735
Synonyms: 1- (1',3'- dimethyl- 2',4',6'- trioxo- 1',2,3,3',4,4',4a,6'- octahydro- 1H,2'H,6H- spiro[pyrido[1,2- a]quinoline- 5,5'- pyrimidin]- 8- yl)- 3- methylthiourea
Smiles: CNC(=S)Nc1ccc2c(c1)CC1(C3N2CCCC3)C(=O)N(C)C(=O)N(C1=O)C

STK583736
Synonyms: methylN- {(1Z)- 1- [4- hydroxy- 1- (4- methylphenyl)- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]ethyl}tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)N/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)C)O)/C

STK583737
Synonyms: 8- methyl- N- (pyridin- 4- ylmethyl)- 6,7,8,9- tetrahydropyrido[4',3':4,5]thieno[3,2- e]tetrazolo[1,5- a]pyrimidin- 5- amine
Smiles: CN1CCc2c(C1)sc1c2c(NCc2ccncc2)nc2n1nnn2

STK583738
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)- 6- tert- butyl- 3- (2,5- dimethoxyphenyl)- 4a,7a,8,8a- tetrahydro- 3aH- 4,8- methano[1,2]oxazolo[4,5- f]isoindole- 5,7(4H,6H)- dione
Smiles: COc1ccc(cc1C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)C(C)(C)C)OC

STK583739
Synonyms: 4- [(4- fluorophenyl)amino]- 1- methyl- 3- nitroquinolin- 2(1H)- one
Smiles: Fc1ccc(cc1)Nc1c([N+](=O)[O-])c(=O)n(c2c1cccc2)C

STK583740
Synonyms: (1'S,3R,3'S,7a'S)- 7''- chloro- 1'- [(2- chlorophenyl)carbonyl]- 5',6',7',7a'- tetrahydro- 1'H- dispiro[indole- 3,2'- pyrrolizine- 3',3''- indole]- 2,2''(1H,1''H)- dione
Smiles: Clc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cccc1Cl

STK583742
Synonyms: 3- (2- methoxyphenoxy)- 8- [(3- methylpiperidinium- 1- yl)methyl]- 4- oxo- 4H- chromen- 7- olate
Smiles: COc1ccccc1Oc1coc2c(c1=O)ccc(c2C[NH+]1CCCC(C1)C)[O-]

STK583743
Synonyms: N- (4- bromo- 3- methylphenyl)- 2- {[4- phenyl- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)C)Br)CSc1nnc(n1c1ccccc1)c1ccccn1

STK583744
Synonyms: N- [(2E)- 1,3- benzothiazol- 2(3H)- ylidene]- 4- chlorobutanamide
Smiles: ClCCCC(=O)/N=c\1/sc2c([nH]1)cccc2

STK583745
Synonyms: 2- [(12- ethyl- 12- methyl- 12,13- dihydro- 10H- pyrano[4',3':4,5]thieno[3,2- e]bis[1,2,4]triazolo[4,3- a:1',5'- c]pyrimidin- 7- yl)sulfanyl]- 1- phenylethanone
Smiles: CCC1(C)OCc2c(C1)c1c(s2)n2c(SCC(=O)c3ccccc3)nnc2n2c1ncn2

STK583746
Synonyms: (2E,5Z)- 2- [(2- chlorophenyl)imino]- 5- [(2E)- 3- (furan- 2- yl)prop- 2- en- 1- ylidene]- 2,5- dihydro- 1,3- thiazol- 4- ol
Smiles: OC1=N/C(=N\c2ccccc2Cl)/S/C/1=C\C=C\c1ccco1

STK583747
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (4- ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)COc1ccccc1

STK583749
Synonyms: 2- ({4- amino- 5- [5- (4- fluorophenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2,4- difluorophenyl)acetamide
Smiles: Fc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1ccc(cc1F)F

STK583753
Synonyms: 1'- cyclohexyl- 1- ethyl- 2'- hydroxy- 2- methyl- 2H,4H,4'H- spiro[dipyrido[1,2- a:2',3'- d]pyrimidine- 3,5'- pyrimidine]- 4',5,6'(1H,1'H)- trione
Smiles: CCN1c2nc3ccccn3c(=O)c2CC2(C1C)C(=O)N=C(N(C2=O)C1CCCCC1)O

STK583756
Synonyms: 1- (4- tert- butylphenyl)- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Cc1onc(c1)N1C(=O)c2c(C1c1ccc(cc1)C(C)(C)C)c(=O)c1c(o2)cccc1

STK583758
Synonyms: propan- 2- yl[4- (dimethylamino)phenyl][(2- fluorophenyl)(hydroxy)methyl]phosphinate
Smiles: CC(OP(=O)(C(c1ccccc1F)O)c1ccc(cc1)N(C)C)C

STK583759
Synonyms: 2- {4- [2,2- dimethyl- 5- (propan- 2- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 8- yl]piperazin- 1- yl}ethanol
Smiles: OCCN1CCN(CC1)c1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C(C)C

STK583760
Synonyms: 2- {4- [7- (3,4- dichlorobenzyl)- 6- hydroxy- 3- methyl- 2- oxo- 3,7- dihydro- 2H- purin- 8- yl]piperazin- 1- yl}acetamide
Smiles: NC(=O)CN1CCN(CC1)c1nc2c(n1Cc1ccc(c(c1)Cl)Cl)c(O)nc(=O)n2C

STK583762
Synonyms: 4- (3,4- dichlorophenyl)- N,1- bis(4- methylphenyl)- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: Cc1ccc(cc1)c1c2CCCCn3c2n(c1C(=O)Nc1ccc(cc1)C)cc3c1ccc(c(c1)Cl)Cl

STK583765
Synonyms: 2- (6- ethyl- 1,3- benzothiazol- 2- yl)- 7- fluoro- 1- phenyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccccc1)c(=O)c1c(o2)ccc(c1)F

STK583766
Synonyms: 4- {[4- (diphenylmethyl)piperazin- 1- ium- 1- yl]methyl}- 2- oxo- 7- phenyl- 2H- chromen- 6- olate
Smiles: O=c1oc2cc(c3ccccc3)c(cc2c(c1)C[NH+]1CCN(CC1)C(c1ccccc1)c1ccccc1)[O-]

STK583767
Synonyms: N- [(2E)- 3- [4- (diethylamino)phenyl]- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 2- methoxyacetamide
Smiles: COCC(=O)/N=C\1/SC2C(N1c1ccc(cc1)N(CC)CC)CS(=O)(=O)C2

STK583768
Synonyms: (2'S,3S,3'S,10b'R)- 3'- [(2,5- dimethoxyphenyl)carbonyl]- 2'- (furan- 2- ylcarbonyl)- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: COc1ccc(c(c1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccco1)C(=O)Nc1c2cccc1)cccc3)OC

STK583769
Synonyms: 4- ({(E)- [3- (benzyloxy)- 4- methoxyphenyl]methylidene}amino)- 5- (4- fluorophenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccc(cc1OCc1ccccc1)/C=N/n1c(=S)[nH]nc1c1ccc(cc1)F

STK583770
Synonyms: (1S)- 1- {5- [(3,4- dichlorobenzyl)sulfanyl]- 1,3,4- oxadiazol- 2- yl}ethanamine
Smiles: C[C@@H](c1nnc(o1)SCc1ccc(c(c1)Cl)Cl)N

STK583771
Synonyms: 8- bromo- N- (4- methylphenyl)[1]benzofuro[3,2- d]pyrimidin- 4- amine
Smiles: Cc1ccc(cc1)Nc1ncnc2c1oc1c2cc(cc1)Br

STK583772
Synonyms: 7- [(2,4- dichlorobenzyl)sulfanyl]- 10,11,12,13- tetrahydro[1]benzothieno[3,2- e]bis[1,2,4]triazolo[4,3- a:1',5'- c]pyrimidine
Smiles: Clc1ccc(c(c1)Cl)CSc1nnc2n1c1sc3c(c1c1n2ncn1)CCCC3

STK583773
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)- 3- [4- (benzyloxy)phenyl]- 6- (3- chloro- 4- fluorophenyl)- 4a,7a,8,8a- tetrahydro- 3aH- 4,8- methano[1,2]oxazolo[4,5- f]isoindole- 5,7(4H,6H)- dione
Smiles: O=C1N(c2ccc(c(c2)Cl)F)C(=O)[C@@H]2[C@H]1[C@H]1C[C@@H]2[C@@H]2[C@H]1C(=NO2)c1ccc(cc1)OCc1ccccc1

STK583775
Synonyms: 4- (5- {(Z)- [2- hydroxy- 1- (4- methylbenzyl)- 5- oxo- 1,5- dihydro- 4H- imidazol- 4- ylidene]methyl}furan- 2- yl)- 3- methylbenzoicacid
Smiles: Cc1ccc(cc1)CN1C(=N/C(=C\c2ccc(o2)c2ccc(cc2C)C(=O)O)/C1=O)O

STK583777
Synonyms: 2- methoxy- 4- [(E)- {[3- (pyridin- 4- yl)- 5- thioxo- 1,5- dihydro- 4H- 1,2,4- triazol- 4- yl]imino}methyl]phenylacetate
Smiles: COc1cc(ccc1OC(=O)C)/C=N/n1c(=S)[nH]nc1c1ccncc1

STK583778
Synonyms: 4- oxo- 1,2,3,4- tetrahydrocyclopenta[c]chromen- 7- yl2- {[(benzyloxy)carbonyl]amino}butanoate
Smiles: CCC(C(=O)Oc1ccc2c(c1)oc(=O)c1c2CCC1)NC(=O)OCc1ccccc1

STK583779
Synonyms: 3- methyl- 6- oxo- 7,8,9,10- tetrahydro- 6H- benzo[c]chromen- 1- ylN- [(4- methylphenyl)sulfonyl]- beta- alaninate
Smiles: O=C(Oc1cc(C)cc2c1c1CCCCc1c(=O)o2)CCNS(=O)(=O)c1ccc(cc1)C

STK583780
Synonyms: ethyl4- ({(E)- [2- (6- methylpyridin- 2- yl)- 1,3- dioxo- 2,3- dihydroisoquinolin- 4(1H)- ylidene]methyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)N/C=C/1\c2ccccc2C(=O)N(C1=O)c1cccc(n1)C

STK583781
Synonyms: N'- {(E)- [4,6- dioxo- 2- sulfanyl- 1- (3,4,5- trimethoxyphenyl)- 1,6- dihydropyrimidin- 5(4H)- ylidene]methyl}pyridine- 4- carbohydrazide
Smiles: COc1c(OC)cc(cc1OC)N1C(=NC(=O)/C(=C\NNC(=O)c2ccncc2)/C1=O)S

STK583783
Synonyms: 4- butyl- 6- chloro- 2- oxo- 2H- chromen- 7- yl{[(4- methylphenyl)sulfonyl]amino}(phenyl)acetate
Smiles: CCCCc1cc(=O)oc2c1cc(Cl)c(c2)OC(=O)C(c1ccccc1)NS(=O)(=O)c1ccc(cc1)C

STK583784
Synonyms: (1'S,2'S,3R,3a'R)- 1'- acetyl- 7'- methyl- 2'- (phenylcarbonyl)- 1',2'- dihydro- 3a'H- spiro[indole- 3,3'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C)[C@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccccc1

STK583785
Synonyms: 3- [(3,5- dibromopyridin- 2- yl)amino]- 2- benzofuran- 1(3H)- one
Smiles: Brc1cnc(c(c1)Br)NC1OC(=O)c2c1cccc2

STK583786
Synonyms: N- (furan- 2- ylmethyl)- 8- propyl- 6,7,8,9- tetrahydropyrido[4',3':4,5]thieno[3,2- e]tetrazolo[1,5- a]pyrimidin- 5- amine
Smiles: CCCN1CCc2c(C1)sc1c2c(NCc2ccco2)nc2n1nnn2

STK583789
Synonyms: 2- ({5- [(4- chlorophenoxy)methyl]- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (3,4- dimethoxyphenyl)acetamide
Smiles: COc1cc(ccc1OC)NC(=O)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)Cl

STK583790
Synonyms: 2- ethyl- 5- methyl- 6- [4- (propan- 2- yl)benzyl][1,2,4]triazolo[1,5- a]pyrimidin- 7- ol
Smiles: CCc1nn2c(n1)nc(c(c2O)Cc1ccc(cc1)C(C)C)C

STK583791
Synonyms: methylN- [(2- chlorobenzyl)carbamoyl]- L- valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)NCc1ccccc1Cl

STK583792
Synonyms: 3- butyl- 2- (2- methylphenyl)- 4H- chromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: CCCCn1c(nc2c(c1=O)c(=O)c1c(o2)cccc1)c1ccccc1C

STK583793
Synonyms: 7- hydroxy- 6- (4- methoxyphenyl)- 2,9,9- trimethyl- 6,8,9,10- tetrahydro[1,2,4]triazolo[5',1':2,3]pyrimido[4,5- b]quinolin- 5(4H)- one
Smiles: COc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c1c(=O)[nH]c1n2nc(n1)C)(C)C

STK583794
Synonyms: methyl2- {[7- (3,4- dichlorophenyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}propanoate
Smiles: COC(=O)C(Sc1nnc2n1cnc1c2cnn1c1ccc(c(c1)Cl)Cl)C

STK583795
Synonyms: 4- (prop- 2- en- 1- yl)- 5- (quinolin- 2- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: C=CCn1c(=S)[nH]nc1c1ccc2c(n1)cccc2

STK583796
Synonyms: 6- [(10aS)- 1,3- dioxo- 1,5,10,10a- tetrahydroimidazo[1,5- b]isoquinolin- 2(3H)- yl]- N- (3- fluorophenyl)hexanamide
Smiles: O=C(Nc1cccc(c1)F)CCCCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK583797
Synonyms: (5E)- 6- hydroxy- 3- (4- methylphenyl)- 5- [1- (piperidin- 1- ylamino)propylidene]pyrimidine- 2,4(3H,5H)- dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)C)O)/NN1CCCCC1

STK583799
Synonyms: 4- {[(1E,2Z)- 2- chloro- 3- phenylprop- 2- en- 1- ylidene]amino}- 5- (3- methoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cccc(c1)c1n[nH]c(=S)n1/N=C/C(=C/c1ccccc1)/Cl

STK583800
Synonyms: 5- (3- ethoxyphenyl)- 4- {[(E)- (3- methylphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1cccc(c1)C

STK583802
Synonyms: 3- [(2S)- 1- (4- benzylpiperazin- 1- yl)- 1- oxopropan- 2- yl]quinazolin- 4(3H)- one
Smiles: C[C@H](n1cnc2c(c1=O)cccc2)C(=O)N1CCN(CC1)Cc1ccccc1

STK583803
Synonyms: 4- (1,3- benzodioxol- 5- yl)- 6- hydroxy- 2- [(2- methylpropyl)sulfanyl]- 4,5- dihydropyridine- 3- carbonitrile
Smiles: N#CC1=C(SCC(C)C)N=C(CC1c1ccc2c(c1)OCO2)O

STK583804
Synonyms: 2- [(4- methyl- 6- oxo- 7,8,9,10- tetrahydro- 6H- benzo[c]chromen- 3- yl)oxy]- N- (pyridin- 4- ylmethyl)propanamide
Smiles: O=C(C(Oc1ccc2c(c1C)oc(=O)c1c2CCCC1)C)NCc1ccncc1

STK583806
Synonyms: 1,4- bis(4- methoxyphenyl)- N- (3- methylphenyl)- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: COc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=O)Nc1cccc(c1)C)c1ccc(cc1)OC

STK583807
Synonyms: 2- {[5- (3- chlorophenyl)- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3,4- dimethoxyphenyl)acetamide
Smiles: COc1ccc(cc1OC)NC(=O)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl

STK583808
Synonyms: 3- {(2E)- 2- [(5- methoxy- 1,2- dimethyl- 1H- indol- 3- yl)methylidene]hydrazinyl}- 5H- [1,2,4]triazino[5,6- b]indole
Smiles: COc1ccc2c(c1)c(/C=N/Nc1nnc3c(n1)[nH]c1c3cccc1)c(n2C)C

STK583809
Synonyms: ethyl(1R,2R,3R)- 1,6- dicyano- 2- (4- methoxyphenyl)- 3- [(4- methoxyphenyl)carbonyl]- 1,2,3,8a- tetrahydroindolizine- 1- carboxylate
Smiles: CCOC(=O)[C@@]1(C#N)C2C=CC(=CN2[C@H]([C@@H]1c1ccc(cc1)OC)C(=O)c1ccc(cc1)OC)C#N

STK583813
Synonyms: 1- (3- bromophenyl)- 2- {[5- (3- chlorophenyl)- 4- (4- chlorophenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}ethanone
Smiles: Clc1ccc(cc1)n1c(SCC(=O)c2cccc(c2)Br)nnc1c1cccc(c1)Cl

STK583814
Synonyms: N- [(2E)- 3- (1,3- benzodioxol- 5- ylmethyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 2- phenylacetamide
Smiles: O=C(/N=C\1/SC2C(N1Cc1ccc3c(c1)OCO3)CS(=O)(=O)C2)Cc1ccccc1

STK583815
Synonyms: 5- (3- chlorophenyl)- 4- hydroxy- 2- (methylsulfanyl)- 5,8- dihydropyrido[2,3- d]pyrimidin- 7(6H)- one
Smiles: CSc1nc(O)c2c(n1)NC(=O)CC2c1cccc(c1)Cl

STK583817
Synonyms: 1- [11- (furan- 2- yl)- 1- hydroxy- 3,3- dimethyl- 2,3,4,11- tetrahydro- 10H- dibenzo[b,e][1,4]diazepin- 10- yl]- 2- methylpropan- 1- one
Smiles: CC(C(=O)N1C(c2ccco2)C2=C(O)CC(CC2=Nc2c1cccc2)(C)C)C

STK583818
Synonyms: 5- (4- ethoxyphenyl)- 4- {[(E)- (4- methylphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C

STK583820
Synonyms: 7,7- dimethyl- 2- (4- methylphenyl)- 4- (propan- 2- ylsulfanyl)- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidine
Smiles: CC(Sc1nc(nc2c1COC(C2)(C)C)c1ccc(cc1)C)C

STK583821
Synonyms: 2- {[5- (3- chlorophenyl)- 4- (4- chlorophenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (1H- indazol- 6- yl)acetamide
Smiles: O=C(Nc1ccc2c(c1)[nH]nc2)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)Cl

STK583823
Synonyms: N'- {(1E)- 1- [4- hydroxy- 1- (2- methylphenyl)- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]propyl}pyridine- 4- carbohydrazide
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1C)O)/NNC(=O)c1ccncc1

STK583826
Synonyms: 4- [2- chloro- 5- (trifluoromethyl)phenyl]- 5- (furan- 2- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Clc1ccc(cc1n1c(=S)[nH]nc1c1ccco1)C(F)(F)F

STK583830
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (3- ethoxy- 4- hydroxyphenyl)methylidene]- 5- (4- propoxyphenyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(c(c1)OCC)O

STK583831
Synonyms: N- (2,4- difluorophenyl)- 2- {[4- (4- methylphenyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1F)F)CSc1nnc(n1c1ccc(cc1)C)Cc1cccs1

STK583832
Synonyms: (5E)- 5- ({[3- (dimethylamino)propyl]amino}methylidene)- 6- hydroxy- 3- phenylpyrimidine- 2,4(3H,5H)- dione
Smiles: CN(CCCN/C=C/1\C(=NC(=O)N(C1=O)c1ccccc1)O)C

STK583834
Synonyms: 2- (2,6- dichlorobenzyl)- 6,7- dimethoxy- 1- methyl- 1,2,3,4- tetrahydroisoquinoline
Smiles: COc1cc2c(cc1OC)CCN(C2C)Cc1c(Cl)cccc1Cl

STK583835
Synonyms: 3- [(2- fluorobenzyl)sulfanyl]- 4- (4- methoxyphenyl)- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazole
Smiles: COc1ccc(cc1)n1c(nnc1SCc1ccccc1F)COc1ccc(cc1)C

STK583836
Synonyms: (2'S,3S,3'S,10b'R)- 3'- [(2,5- dimethoxyphenyl)carbonyl]- 2'- [(4- methylphenyl)carbonyl]- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: COc1ccc(c(c1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1)C)C(=O)Nc1c2cccc1)cccc3)OC

STK583837
Synonyms: (4Z)- 6- {[4- (3- chlorophenyl)piperazin- 1- yl]methyl}- 4- [(2- methoxyphenyl)imino]- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: COc1ccccc1/N=c\1/[nH]c(CN2CCN(CC2)c2cccc(c2)Cl)nc(n1)N

STK583838
Synonyms: (4E)- 5- (4- bromophenyl)- 4- [hydroxy(4- nitrophenyl)methylidene]- 1- phenylpyrrolidine- 2,3- dione
Smiles: Brc1ccc(cc1)C1N(c2ccccc2)C(=O)C(=O)/C/1=C(\c1ccc(cc1)[N+](=O)[O-])/O

STK583839
Synonyms: (4E)- 4- {[(2- hydroxyethyl)amino]methylidene}- 2- [3- (trifluoromethyl)phenyl]isoquinoline- 1,3(2H,4H)- dione
Smiles: OCCN/C=C\1/C(=O)N(c2cccc(c2)C(F)(F)F)C(=O)c2c1cccc2

STK583840
Synonyms: 4- (butylsulfanyl)- 2- (4- methoxyphenyl)- 7,7- dimethyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidine
Smiles: CCCCSc1nc(nc2c1COC(C2)(C)C)c1ccc(cc1)OC

STK583842
Synonyms: 5- (2,3- dihydro- 1H- pyrrolo[1,2- a][3,1]benzimidazol- 4- ium- 4- yl)- 2,6- dihydroxypyrimidin- 4- olate
Smiles: Oc1nc([O-])c(c(n1)O)[n+]1c2ccccc2n2c1CCC2

STK583843
Synonyms: N- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 2- (2- hydroxy- 4- oxoquinazolin- 3(4H)- yl)acetamide
Smiles: O=C(Cn1c(O)nc2c(c1=O)cccc2)Nc1ccc2c(c1)OCCO2

STK583844
Synonyms: (2'S,3S,3'S,10b'R)- 3'- [(4- chlorophenyl)carbonyl]- 2'- {[4- (prop- 2- en- 1- yloxy)phenyl]carbonyl}- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: C=CCOc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)Cl)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK583845
Synonyms: 2- {[5- (3- chlorophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3,4- dimethoxyphenyl)acetamide
Smiles: COc1cc(ccc1OC)NC(=O)CSc1nnc(n1c1ccccc1)c1cccc(c1)Cl

STK583846
Synonyms: 2,2- dimethyl- N- [(7- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (4- methylphenyl)propanamide
Smiles: Cc1ccc(cc1)N(C(=O)C(C)(C)C)Cc1cc2ccc(cc2[nH]c1=O)C

STK583847
Synonyms: N- [7- (4- methylphenyl)- 5- phenyl- 4,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]acetamide
Smiles: CC(=O)Nc1nn2c(n1)NC(CC2c1ccc(cc1)C)c1ccccc1

STK583848
Synonyms: 8- (4- ethylpiperazin- 1- yl)- 1,3- dimethyl- 7- {2- [(5- methyl- 1,3,4- thiadiazol- 2- yl)sulfanyl]ethyl}- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCN1CCN(CC1)c1nc2c(n1CCSc1nnc(s1)C)c(=O)n(c(=O)n2C)C

STK583849
Synonyms: methylN- {[4- (acetylamino)phenyl]carbamoyl}- L- phenylalaninate
Smiles: COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(cc1)NC(=O)C

STK583850
Synonyms: N- (2- tert- butylphenyl)- 2- {[4- ethyl- 5- (3- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1c1cccc(c1)C

STK583851
Synonyms: N- (4- bromo- 2- fluorophenyl)- 2- (2- hydroxy- 4- oxoquinazolin- 3(4H)- yl)acetamide
Smiles: O=C(Cn1c(O)nc2c(c1=O)cccc2)Nc1ccc(cc1F)Br

STK583852
Synonyms: N- [(2Z)- 1,3- benzothiazol- 2(3H)- ylidene]- 2- (4- benzylpiperazin- 1- yl)acetamide
Smiles: O=C(/N=c/1\sc2c([nH]1)cccc2)CN1CCN(CC1)Cc1ccccc1

STK583854
Synonyms: 5- {[(2Z)- 5,5- dioxido- 3- [4- (trifluoromethoxy)phenyl]tetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]amino}- 5- oxopentanoicacid
Smiles: OC(=O)CCCC(=O)/N=C/1\SC2C(N1c1ccc(cc1)OC(F)(F)F)CS(=O)(=O)C2

STK583855
Synonyms: (4E)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 5- (3- ethoxy- 4- propoxyphenyl)- 1- {5- [(4- fluorobenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}pyrrolidine- 2,3- dione
Smiles: CCCOc1ccc(cc1OCC)C1N(c2nnc(s2)SCc2ccc(cc2)F)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK583856
Synonyms: N- butyl- 3- [(10aS)- 1,3- dioxo- 1,5,10,10a- tetrahydroimidazo[1,5- b]isoquinolin- 2(3H)- yl]propanamide
Smiles: CCCCNC(=O)CCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK583857
Synonyms: 2- ({5- [(4- chlorophenoxy)methyl]- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2- methoxy- 5- methylphenyl)acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)Cl)C

STK583858
Synonyms: (7- methyl- 3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinolin- 8(7H)- yl)[4- (trifluoromethyl)phenyl]methanone
Smiles: CC1c2cc3OCCCOc3cc2CCN1C(=O)c1ccc(cc1)C(F)(F)F

STK583861
Synonyms: 6- chloro- 2- oxo- 4- phenyl- 2H- chromen- 7- yl2- {[(benzyloxy)carbonyl]amino}butanoate
Smiles: CCC(C(=O)Oc1cc2oc(=O)cc(c2cc1Cl)c1ccccc1)NC(=O)OCc1ccccc1

STK583862
Synonyms: {(5S)- 3- [4- (2- amino- 2- oxoethoxy)phenyl]- 5- [(2- methoxy- 5- nitrophenyl)carbamoyl]- 4,5- dihydro- 1,2- oxazol- 5- yl}aceticacid
Smiles: COc1ccc(cc1NC(=O)[C@@]1(ON=C(C1)c1ccc(cc1)OCC(=O)N)CC(=O)O)[N+](=O)[O-]

STK583863
Synonyms: 4- {(2E)- 2- [(6- methoxy- 1H- indol- 3- yl)methylidene]hydrazinyl}- 5- phenylthieno[2,3- d]pyrimidine
Smiles: COc1ccc2c(c1)[nH]cc2/C=N/Nc1ncnc2c1c(cs2)c1ccccc1

STK583864
Synonyms: 8- ethoxy- 3- (pyridin- 3- ylmethyl)- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: CCOc1ccc2c(c1)c1ncn(c(=O)c1[nH]2)Cc1cccnc1

STK583865
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)- 3- [(E)- 2- phenylethenyl]- 4a,7a,8,8a- tetrahydro- 3aH- 4,8- methano[1,2]oxazolo[4,5- f]isoindole- 5,7(4H,6H)- dione
Smiles: O=C1NC(=O)[C@@H]2[C@H]1[C@H]1C[C@@H]2[C@@H]2[C@H]1C(=NO2)/C=C/c1ccccc1

STK583866
Synonyms: (2'S,3S,3'S,10b'R)- 2'- [(3,4- dimethoxyphenyl)carbonyl]- 3'- [(2- methoxyphenyl)carbonyl]- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: COc1cc(ccc1OC)C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2OC)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK583867
Synonyms: N'- [(E)- (4- chlorophenyl)methylidene]- 2- (4- oxo- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 3(4H)- yl)acetohydrazide
Smiles: O=C(Cn1cnc2c(c1=O)c1CCCCc1s2)N/N=C/c1ccc(cc1)Cl

STK583868
Synonyms: 2- [4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl]- 6- propylpyrimidin- 4- ol
Smiles: CCCc1cc(O)nc(n1)N1CCN(CC1)Cc1ccc2c(c1)OCO2

STK583869
Synonyms: N- (3,4- difluorophenyl)- 2- {[5- (2- fluorophenyl)- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)F)F)nnc1c1ccccc1F

STK583872
Synonyms: 2- {[5- (3- chlorophenyl)- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2- ethylphenyl)acetamide
Smiles: CCc1ccccc1NC(=O)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl

STK583873
Synonyms: 3- [(3- chlorobenzyl)sulfanyl]- 5- (3- methoxyphenyl)- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazole
Smiles: C=CCn1c(nnc1c1cccc(c1)OC)SCc1cccc(c1)Cl

STK583875
Synonyms: 7- chloro- 2- (2- hydroxy- 2- phenylethyl)- 1- (4- methoxyphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc(cc1)C1N(CC(c2ccccc2)O)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl

STK583877
Synonyms: 5- (3- chlorophenyl)- 4- {[(E)- (3- fluorophenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Fc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1cccc(c1)Cl

STK583878
Synonyms: 3- (4- methoxyphenyl)- 1- [2- (morpholin- 4- yl)ethyl]- 1,5,6,7,8,9- hexahydro- 2H- cyclohepta[4,5]thieno[2,3- d]pyrimidine- 2,4(3H)- dione
Smiles: COc1ccc(cc1)n1c(=O)c2c3CCCCCc3sc2n(c1=O)CCN1CCOCC1

STK583879
Synonyms: 2- (4- tert- butylphenyl)- 10- methyl- 3- propylpyrimido[4,5- b]quinoline- 4,5(3H,10H)- dione
Smiles: CCCn1c(nc2c(c1=O)c(=O)c1c(n2C)cccc1)c1ccc(cc1)C(C)(C)C

STK583880
Synonyms: (E)- [3- fluoro- 4- (propan- 2- yloxy)phenyl]{1- [3- (morpholin- 4- ium- 4- yl)propyl]- 4,5- dioxo- 2- (3,4,5- trimethoxyphenyl)pyrrolidin- 3- ylidene}methanolate
Smiles: COc1cc(cc(c1OC)OC)C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)F)OC(C)C)/[O-]

STK583882
Synonyms: ethyl4- [1- methyl- 3- (3- methylbutyl)- 2,4- dioxo- 1,2,3,4,6,7- hexahydro- 8H- imidazo[2,1- f]purin- 8- yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)CCC(C)C

STK583883
Synonyms: 8- (3- chlorophenyl)- 3- (2- fluorobenzyl)- 1- methyl- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: Clc1cccc(c1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccccc1F

STK583885
Synonyms: 6,6- dimethyl- 2- (methylsulfanyl)- 9- phenyl- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CSc1nn2c(n1)N=C1C(=C(O)CC(C1)(C)C)C2c1ccccc1

STK583886
Synonyms: N'- [(E)- (2- hydroxyphenyl)methylidene]- 4,5- dimethoxy- 1H- indole- 2- carbohydrazide
Smiles: COc1c(OC)ccc2c1cc([nH]2)C(=O)N/N=C/c1ccccc1O

STK583889
Synonyms: (4Z)- 4- [(2,4- dimethylphenyl)imino]- 6- {[4- (3- methoxyphenyl)piperazin- 1- yl]methyl}- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: COc1cccc(c1)N1CCN(CC1)Cc1nc(N)n/c(=N\c2ccc(cc2C)C)/[nH]1

STK583891
Synonyms: 2- [(3aR,4R,4aR,7aS,8R,8aR)- 3- (3,4- dimethoxyphenyl)- 5,7- dioxo- 3a,4,4a,5,7,7a,8,8a- octahydro- 6H- 4,8- methano[1,2]oxazolo[4,5- f]isoindol- 6- yl]- 4,5,6,7- tetrahydro- 1- benzothiophene- 3- carbonitrile
Smiles: COc1cc(ccc1OC)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1sc2c(c1C#N)CCCC2

STK583892
Synonyms: 8- (4- ethylphenyl)- 4- hydroxy- 1- methyl- 7,8- dihydro- 1H- imidazo[2,1- f]purin- 2(6H)- one
Smiles: CCc1ccc(cc1)N1CCn2c1nc1c2c(O)nc(=O)n1C

STK583895
Synonyms: (1'R,2'R)- 2'- (3- chlorophenyl)- 7'- fluoro- 1'- (phenylcarbonyl)- 1',2'- dihydro- 3a'H- spiro[indene- 2,3'- pyrrolo[1,2- a]quinoline]- 1,3- dione
Smiles: Fc1ccc2c(c1)C=CC1N2[C@@H](C(=O)c2ccccc2)[C@@H]([C@@]21C(=O)c1c(C2=O)cccc1)c1cccc(c1)Cl

STK583896
Synonyms: 2- {5- [(3- fluorobenzyl)sulfanyl]- 4- phenyl- 4H- 1,2,4- triazol- 3- yl}pyridine
Smiles: Fc1cccc(c1)CSc1nnc(n1c1ccccc1)c1ccccn1

STK583897
Synonyms: N- (3- chlorophenyl)- 4,5,6- trimethoxy- 1H- indole- 2- carboxamide
Smiles: COc1cc2[nH]c(cc2c(c1OC)OC)C(=O)Nc1cccc(c1)Cl

STK583898
Synonyms: 2- {[7,7- dimethyl- 2- (3- methylphenyl)- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl]sulfanyl}- N- (4- methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nc(nc2c1COC(C2)(C)C)c1cccc(c1)C

STK583900
Synonyms: 5,9- dimethyl- 2- [3- (propan- 2- yloxy)phenyl]- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: CN1CCc2c(C1)sc1c2c2nc(nn2c(n1)C)c1cccc(c1)OC(C)C

STK583902
Synonyms: 5- {[4- (2- amino- 2- oxoethoxy)- 3- methoxybenzyl]amino}- 2- (morpholin- 4- ium- 4- yl)benzoate
Smiles: COc1cc(CNc2ccc(c(c2)C(=O)[O-])[NH+]2CCOCC2)ccc1OCC(=O)N

STK583903
Synonyms: N- (2,5- dimethylphenyl)- 2- {[4- (4- ethoxyphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cc(C)ccc2C)nnc1COc1ccccc1

STK583905
Synonyms: 1,3- dimethyl- 7- (3- methylbenzyl)- 8- [(4- methylpiperidin- 1- yl)methyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC1CCN(CC1)Cc1nc2c(n1Cc1cccc(c1)C)c(=O)n(c(=O)n2C)C

STK583906
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3- methylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1nnc(n1C)c1cccc(c1)Cl

STK583907
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(1E,2E)- 2- methyl- 3- phenylprop- 2- en- 1- ylidene]- 5- (4- propoxyphenyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/C(=C/c1ccccc1)/C

STK583908
Synonyms: N- [(2Z)- 3- (3- bromophenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]tetrahydrofuran- 2- carboxamide
Smiles: Brc1cccc(c1)N1/C(=N/C(=O)C2CCCO2)/SC2C1CS(=O)(=O)C2

STK583909
Synonyms: 3- (4- chlorophenyl)- 7- methyl- 2- [(pyridin- 4- ylmethyl)amino]- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CN1CCc2c(C1)sc1c2c(=O)n(c(n1)NCc1ccncc1)c1ccc(cc1)Cl

STK583910
Synonyms: (8S,8aR,11aS)- 10- (3,5- dichlorophenyl)- N- (4- methoxyphenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 8- carboxamide
Smiles: COc1ccc(cc1)NC(=O)[C@@H]1[C@H]2[C@@H](C3N1C=Cc1c3cccc1)C(=O)N(C2=O)c1cc(Cl)cc(c1)Cl

STK583911
Synonyms: (3a'S,6a'R)- 5- fluoro- 3'- [2- (methylsulfanyl)ethyl]- 5'- (2- phenylethyl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: CSCCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)CCc1ccccc1)C(=O)Nc1c2cc(F)cc1

STK583912
Synonyms: 4- methoxy- N- (4- methoxyphenyl)- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzenesulfonamide
Smiles: COc1ccc(cc1)N(S(=O)(=O)c1ccc(cc1)OC)Cc1cc2ccccc2[nH]c1=O

STK583913
Synonyms: 7'- {[(E)- (1- butyl- 4,6- dioxo- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene)methyl]amino}- 1,3- dimethyl- 1',2',3',3a'- tetrahydro- 2H,5'H- spiro[pyrimidine- 5,4'- pyrrolo[1,2- a]quinoline]- 2,4,6(1H,3H)- trione
Smiles: CCCCN1C(=NC(=O)/C(=C\Nc2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C1=O)S

STK583914
Synonyms: 3- (3- chlorophenyl)- 2- {[2- (3,4- dimethoxyphenyl)ethyl]amino}- 7- methyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: COc1ccc(cc1OC)CCNc1nc2sc3c(c2c(=O)n1c1cccc(c1)Cl)CCN(C3)C

STK583916
Synonyms: N- (3- fluorophenyl)- 2- {[4- (prop- 2- en- 1- yl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2cccc(c2)F)nnc1Cc1cccs1

STK583917
Synonyms: 2- ({5- [(1S)- 1- aminoethyl]- 1,3,4- oxadiazol- 2- yl}sulfanyl)- N,N- diethylacetamide
Smiles: CCN(C(=O)CSc1nnc(o1)[C@@H](N)C)CC

STK583920
Synonyms: 6- [(10aS)- 1,3- dioxo- 1,5,10,10a- tetrahydroimidazo[1,5- b]isoquinolin- 2(3H)- yl]- N- (4- methoxybenzyl)hexanamide
Smiles: COc1ccc(cc1)CNC(=O)CCCCCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK583924
Synonyms: 2- cyano- N- [(2Z)- 3- (3- methoxyphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]acetamide
Smiles: N#CCC(=O)/N=C/1\SC2C(N1c1cccc(c1)OC)CS(=O)(=O)C2

STK583925
Synonyms: (1'R,2'S)- 7'- chloro- 2'- (2- fluorophenyl)- 1'- (thiophen- 2- ylcarbonyl)- 1',2'- dihydro- 3a'H- spiro[indene- 2,3'- pyrrolo[1,2- a]quinoline]- 1,3- dione
Smiles: Clc1ccc2c(c1)C=CC1N2[C@@H](C(=O)c2cccs2)[C@@H]([C@@]21C(=O)c1c(C2=O)cccc1)c1ccccc1F

STK583927
Synonyms: 4- {[2- (2- hydroxy- 3- methoxyphenyl)quinazolin- 4- yl]oxy}benzonitrile
Smiles: COc1cccc(c1O)c1nc(Oc2ccc(cc2)C#N)c2c(n1)cccc2

STK583928
Synonyms: N- [3- (2- chlorophenyl)- 1- ethyl- 4- oxo- 1,4- dihydroquinolin- 2- yl]- 4- nitrobenzamide
Smiles: CCn1c(NC(=O)c2ccc(cc2)[N+](=O)[O-])c(c2ccccc2Cl)c(=O)c2c1cccc2

STK583930
Synonyms: (1'S,3R,3'S,7a'S)- 5''- fluoro- 1'- [(2- methoxyphenyl)carbonyl]- 5',6',7',7a'- tetrahydro- 1'H- dispiro[indole- 3,2'- pyrrolizine- 3',3''- indole]- 2,2''(1H,1''H)- dione
Smiles: COc1ccccc1C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cc(F)cc1

STK583931
Synonyms: 2- [(8- methyl- 2- oxo- 4- phenyl- 2H- chromen- 7- yl)oxy]- N- [2- (morpholin- 4- yl)ethyl]acetamide
Smiles: O=C(COc1ccc2c(c1C)oc(=O)cc2c1ccccc1)NCCN1CCOCC1

STK583933
Synonyms: 2- (benzylamino)- 4- (dimethylamino)pyridine- 3- carbonitrile
Smiles: N#Cc1c(nccc1N(C)C)NCc1ccccc1

STK583934
Synonyms: N- [(1Z)- 1- {1- cyano- 2- oxo- 2- [(1- phenylethyl)amino]ethylidene}- 1H- isoindol- 3- yl]- 2- fluorobenzamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccccc1F)/C(=O)NC(c1ccccc1)C

STK583935
Synonyms: 4- [(4- fluorophenyl)carbonyl]- 2- (2- methyl- 4- nitrophenyl)hexahydropyrrolo[3,4- a]pyrrolizine- 1,3(2H,4H)- dione
Smiles: Fc1ccc(cc1)C(=O)C1N2CCCC2C2C1C(=O)N(C2=O)c1ccc(cc1C)[N+](=O)[O-]

STK583936
Synonyms: 2- {[4- (4- acetylphenyl)- 5- thioxo- 4,5- dihydro- 1H- 1,2,4- triazol- 3- yl]methyl}phthalazin- 1(2H)- one
Smiles: CC(=O)c1ccc(cc1)n1c(=S)[nH]nc1Cn1ncc2c(c1=O)cccc2

STK583937
Synonyms: N- [(2Z)- 1,3- benzothiazol- 2(3H)- ylidene]- 5- (2- methylcyclohexyl)- 1,4,5,6- tetrahydro- 1,3,5- triazin- 2- amine
Smiles: CC1CCCCC1N1CNC(=NC1)/N=c/1\sc2c([nH]1)cccc2

STK583938
Synonyms: N- [(3Z)- 1- ethyl- 8- methyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]- 2,1,3- benzoxadiazole- 4- sulfonamide
Smiles: CCn1[nH]/c(=N\S(=O)(=O)c2cccc3c2non3)/c2c1nc1c(c2)cccc1C

STK583939
Synonyms: (3a'S,6a'R)- 5'- (3- bromophenyl)- 5- fluoro- 3'- (4- hydroxybenzyl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: Fc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)c1cccc(c1)Br)Cc1ccc(cc1)O)C(=O)N2

STK583940
Synonyms: 2- [(3a'S,6a'R)- 5'- tert- butyl- 7- chloro- 2,4',6'- trioxo- 1,2,3',3a',4',5',6',6a'- octahydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 3'- yl]acetamide
Smiles: NC(=O)CC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)C(C)(C)C)C(=O)Nc1c2cccc1Cl

STK583941
Synonyms: 3- [10- methyl- 8- phenyl- 11- (pyridin- 3- yl)- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl]naphthalen- 2- ol
Smiles: Cc1nn(c2c1C(c1cccnc1)c1c(O2)ncn2c1nc(n2)c1cc2ccccc2cc1O)c1ccccc1

STK583942
Synonyms: 9- benzyl- 2- [3- (propan- 2- yloxy)phenyl]- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: CC(Oc1cccc(c1)c1nn2c(n1)c1c(nc2)sc2c1CCN(C2)Cc1ccccc1)C

STK583943
Synonyms: 1- (3- methoxyphenyl)- 7- methyl- 2- (6- methyl- 1,3- benzothiazol- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1cccc(c1)C1N(c2sc3c(n2)ccc(c3)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C

STK583947
Synonyms: N- (furan- 2- ylmethyl)- 3- methoxy- N- [(8- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzamide
Smiles: COc1cccc(c1)C(=O)N(Cc1cc2cccc(c2[nH]c1=O)C)Cc1ccco1

STK583950
Synonyms: N- (3,5- dichlorophenyl)- 2- {[4- (furan- 2- ylmethyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(Cl)cc(c1)Cl)CSc1nnc(n1Cc1ccco1)COc1ccccc1

STK583952
Synonyms: 6- hydroxy- 7- (2- methoxyethyl)- 3- methyl- 8- (propylsulfanyl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: CCCSc1nc2c(n1CCOC)c(O)nc(=O)n2C

STK583954
Synonyms: 7'- [(E)- (4- hydroxy- 1- methyl- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene)methyl]- 1,3- dimethyl- 1',2',3',3a'- tetrahydro- 2H,5'H- spiro[pyrimidine- 5,4'- pyrrolo[1,2- a]quinoline]- 2,4,6(1H,3H)- trione
Smiles: O=C1N=C(O)/C(=C\c2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C(=O)N1C

STK583957
Synonyms: {[(4- fluorophenyl)amino][(3- methylbenzyl)sulfanyl]methylidene}propanedinitrile
Smiles: N#CC(=C(Nc1ccc(cc1)F)SCc1cccc(c1)C)C#N

STK583959
Synonyms: (3S,3'S,3a'R,6a'S)- 5- bromo- 3'- (2- methylpropyl)- 5'- (prop- 2- en- 1- yl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: C=CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(N[C@H]2CC(C)C)C(=O)Nc2c1cc(Br)cc2

STK583960
Synonyms: 8- [(3,5- dimethylpiperidin- 1- yl)methyl]- 1,3- dimethyl- 7- (3- methylbenzyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC1CN(CC(C1)C)Cc1nc2c(n1Cc1cccc(c1)C)c(=O)n(c(=O)n2C)C

STK583963
Synonyms: 4- methoxy- N- [3- (4- methylphenyl)- 1,2- oxazol- 5- yl]benzamide
Smiles: COc1ccc(cc1)C(=O)Nc1onc(c1)c1ccc(cc1)C

STK583965
Synonyms: 4,6,7- trimethoxy- N'- [(E)- (4- methoxyphenyl)methylidene]- 1H- indole- 2- carbohydrazide
Smiles: COc1ccc(cc1)/C=N/NC(=O)c1cc2c([nH]1)c(OC)c(cc2OC)OC

STK583966
Synonyms: tert- butyl[(1S)- 1- {5- [(4- fluorobenzyl)sulfonyl]- 1,3,4- oxadiazol- 2- yl}- 3- methylbutyl]carbamate
Smiles: CC(C[C@@H](c1nnc(o1)S(=O)(=O)Cc1ccc(cc1)F)NC(=O)OC(C)(C)C)C

STK583968
Synonyms: methylN- {(E)- [1- (4- bromophenyl)- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}tryptophanate
Smiles: COC(=O)C(Cc1c[nH]c2c1cccc2)N/C=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)Br)O

STK583973
Synonyms: 2- (4- propoxyphenyl)- 6,7- dihydro- 5H- cyclopenta[b]pyrazine1,4- dioxide
Smiles: CCCOc1ccc(cc1)c1c[n+]([O-])c2c([n+]1[O-])CCC2

STK583974
Synonyms: (2'S,3S,3'S,10b'R)- 3'- [(2- chlorophenyl)carbonyl]- 2'- {[2- (prop- 2- en- 1- yloxy)phenyl]carbonyl}- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: C=CCOc1ccccc1C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2Cl)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK583978
Synonyms: 2- [(4- methyl- 6- oxo- 7,8,9,10- tetrahydro- 6H- benzo[c]chromen- 3- yl)oxy]- N- (pyridin- 2- ylmethyl)acetamide
Smiles: O=C(NCc1ccccn1)COc1ccc2c(c1C)oc(=O)c1c2CCCC1

STK583979
Synonyms: (10aS)- 2- [4- (propan- 2- yl)phenyl]- 10,10a- dihydroimidazo[1,5- b]isoquinoline- 1,3(2H,5H)- dione
Smiles: CC(c1ccc(cc1)N1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1)C

STK583980
Synonyms: N- {4- [(furan- 2- ylmethyl)(tetrahydrofuran- 2- ylmethyl)sulfamoyl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)S(=O)(=O)N(Cc1ccco1)CC1CCCO1

STK583981
Synonyms: N- (3- fluoro- 4- methylphenyl)- 2- {[5- (2- fluorophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)F)C)CSc1nnc(n1c1ccccc1)c1ccccc1F

STK583983
Synonyms: 1- (4- methoxyphenyl)- 2- (6- methyl- 1,3- benzothiazol- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc(cc1)C1N(c2nc3c(s2)cc(cc3)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK583989
Synonyms: N'- [2,2- dimethyl- 5- (propan- 2- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 8- yl]- N,N- diethylethane- 1,2- diamine
Smiles: CCN(CCNc1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C(C)C)CC

STK583991
Synonyms: N- (3,5- dimethoxyphenyl)- 2- {[4- (4- ethoxyphenyl)- 5- (3- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cc(OC)cc(c2)OC)nnc1c1cccc(c1)C

STK583992
Synonyms: 1- (3- fluorophenyl)- 2- (pyridin- 3- ylmethyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Fc1cccc(c1)C1N(Cc2cccnc2)C(=O)c2c1c(=O)c1c(o2)cccc1

STK583993
Synonyms: (3S)- N- [(1R)- 2- oxo- 1- phenyl- 2- (propylamino)ethyl]- 1,2,3,4- tetrahydroisoquinoline- 3- carboxamide
Smiles: CCCNC(=O)[C@@H](c1ccccc1)NC(=O)[C@H]1NCc2c(C1)cccc2

STK583994
Synonyms: 6,6- dimethyl- 2- (methylsulfanyl)- 9- (pyridin- 3- yl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CSc1nn2c(n1)N=C1C(=C(O)CC(C1)(C)C)C2c1cccnc1

STK583995
Synonyms: N- (3- chloro- 2- methylphenyl)- 2- {[4- phenyl- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1C)Cl)CSc1nnc(n1c1ccccc1)c1ccccn1

STK583996
Synonyms: 2- ({5- [(4- chlorophenoxy)methyl]- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (4- ethylphenyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)CC)nnc1COc1ccc(cc1)Cl

STK583997
Synonyms: 1- methyl- 7'- nitro- 2'- phenyl- 1',2',3',3a'- tetrahydro- 2H,5'H- spiro[pyrimidine- 5,4'- pyrrolo[1,2- a]quinoline]- 2,4,6(1H,3H)- trione
Smiles: O=C1NC(=O)C2(C(=O)N1C)Cc1cc(ccc1N1C2CC(C1)c1ccccc1)[N+](=O)[O-]

STK583998
Synonyms: 4- [(E)- {[3- (2,4- dichlorophenyl)- 5- thioxo- 1,5- dihydro- 4H- 1,2,4- triazol- 4- yl]imino}methyl]benzoicacid
Smiles: Clc1ccc(c(c1)Cl)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C(=O)O

STK584000
Synonyms: 4- (2,3- dimethoxyphenyl)- 1,3- diphenyl- 4,5- dihydro- 1H- pyrazolo[3,4- b]pyridin- 6- ol
Smiles: COc1cccc(c1OC)C1CC(=Nc2c1c(nn2c1ccccc1)c1ccccc1)O

STK584002
Synonyms: 1- (2,6- dimethylphenyl)- 4- (4- methylphenyl)- 3- (thiophen- 2- yl)piperazine- 2,5- dione
Smiles: Cc1ccc(cc1)N1C(=O)CN(C(=O)C1c1cccs1)c1c(C)cccc1C

STK584003
Synonyms: 5- benzyl- 3- (3- bromo- 4- fluorophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: O=C1C2ON(C(C2C(=O)N1Cc1ccccc1)c1ccc(c(c1)Br)F)c1ccccc1

STK584004
Synonyms: 9- benzyl- 2- (furan- 2- yl)- 5- methyl- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Cc1nc2sc3c(c2c2n1nc(n2)c1ccco1)CCN(C3)Cc1ccccc1

STK584006
Synonyms: 4- {[(E)- (2- hydroxyphenyl)methylidene]amino}- 5- (3,4,5- trimethoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1ccccc1O

STK584008
Synonyms: (5Z)- 5- (1,3- benzodioxol- 5- ylmethylidene)- 2- (2- bromophenyl)- 3- (1,3- thiazol- 2- yl)- 3,5- dihydro- 4H- imidazol- 4- one
Smiles: O=C1/C(=C/c2ccc3c(c2)OCO3)/N=C(N1c1nccs1)c1ccccc1Br

STK584009
Synonyms: (2- {[(2'S,3S,3'S,10b'R)- 2- oxo- 2'- (phenylcarbonyl)- 1,2,2',3'- tetrahydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 3'- yl]carbonyl}phenoxy)acetonitrile
Smiles: N#CCOc1ccccc1C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccccc1)C(=O)Nc1c2cccc1)cccc3

STK584010
Synonyms: N- (3- chloro- 2- methylphenyl)- 2- {[4- (4- methoxyphenyl)- 5- (3- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2C)Cl)nnc1c1cccc(c1)C

STK584014
Synonyms: (5E)- 3- (furan- 2- ylmethyl)- 6- hydroxy- 5- ({1- [3- (2- methoxyphenoxy)propyl]- 1H- indol- 3- yl}methylidene)pyrimidine- 2,4(3H,5H)- dione
Smiles: COc1ccccc1OCCCn1cc(c2c1cccc2)/C=C/1\C(=NC(=O)N(C1=O)Cc1ccco1)O

STK584016
Synonyms: 5,6- bis(4- methoxyphenyl)- N- (pyridin- 2- yl)furo[2,3- d]pyrimidin- 4- amine
Smiles: COc1ccc(cc1)c1c(oc2c1c(ncn2)Nc1ccccn1)c1ccc(cc1)OC

STK584018
Synonyms: 7- (2- methylpropyl)- 14H- chromeno[2',3':4,5]pyrimido[1,6- a]benzimidazol- 14- one
Smiles: CC(Cc1nc2oc3ccccc3c(=O)c2c2n1c1ccccc1n2)C

STK584019
Synonyms: 2- (3- methoxyphenyl)- 7,7- dimethyl- 4- {[2- (morpholin- 4- yl)ethyl]sulfanyl}- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidine
Smiles: COc1cccc(c1)c1nc(SCCN2CCOCC2)c2c(n1)CC(OC2)(C)C

STK584020
Synonyms: N- [(2E)- 3- benzyl- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 4- phenylbutanamide
Smiles: O=C(/N=C\1/SC2C(N1Cc1ccccc1)CS(=O)(=O)C2)CCCc1ccccc1

STK584021
Synonyms: 3- [(3a'S,6a'R)- 2,4',6'- trioxo- 5'- (2- phenylethyl)- 1,2,3',3a',4',5',6',6a'- octahydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 3'- yl]propanoicacid
Smiles: OC(=O)CCC1NC2([C@H]3[C@@H]1C(=O)N(C3=O)CCc1ccccc1)C(=O)Nc1c2cccc1

STK584022
Synonyms: 1- hydroxy- 5- methyl- 9- oxo- 9H- xanthen- 3- yl6- {[(benzyloxy)carbonyl]amino}hexanoate
Smiles: O=C(OCc1ccccc1)NCCCCCC(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1C

STK584024
Synonyms: N- {[trans- 4- (1,3- benzodioxol- 5- ylcarbamoyl)cyclohexyl]methyl}- Nalpha- (tert- butoxycarbonyl)- L- phenylalaninamide
Smiles: O=C(OC(C)(C)C)N[C@H](C(=O)NC[C@@H]1CC[C@H](CC1)C(=O)Nc1ccc2c(c1)OCO2)Cc1ccccc1

STK584027
Synonyms: 3- (2- hydroxyphenyl)- 5- (3- methylphenyl)- 4,6- dioxooctahydropyrrolo[3,4- c]pyrrole- 1- carboxylicacid
Smiles: Cc1cccc(c1)N1C(=O)C2C(C1=O)C(NC2C(=O)O)c1ccccc1O

STK584029
Synonyms: 5- (4- ethylphenyl)- 3- (2- hydroxyphenyl)- 1- (1H- indol- 3- ylmethyl)- 4,6- dioxooctahydropyrrolo[3,4- c]pyrrole- 1- carboxylicacid
Smiles: CCc1ccc(cc1)N1C(=O)C2C(C1=O)C(NC2c1ccccc1O)(Cc1c[nH]c2c1cccc2)C(=O)O

STK584031
Synonyms: 1- (4- chlorophenyl)- N,4- bis(4- methylphenyl)- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: Clc1ccc(cc1)c1c(C(=O)Nc2ccc(cc2)C)n2c3c1CCCCn3c(c2)c1ccc(cc1)C

STK584032
Synonyms: 1- [(2E)- 2- (2- chloro- 6- fluorobenzylidene)hydrazinyl]- 2- ethyl- 3- methylpyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(c1N/N=C/c1c(F)cccc1Cl)c1ccccc1n2

STK584034
Synonyms: N- (1,3- benzodioxol- 5- yl)- 2- (4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)acetamide
Smiles: O=C(Cn1nnc2c(c1=O)cccc2)Nc1ccc2c(c1)OCO2

STK584035
Synonyms: N- (2- bromophenyl)- 2- {[4- (4- methoxyphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2Br)nnc1COc1ccccc1

STK584036
Synonyms: 8- {[benzyl(methyl)amino]methyl}- 1,3- dimethyl- 7- (3- methylbutyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CN(Cc1nc2c(n1CCC(C)C)c(=O)n(c(=O)n2C)C)Cc1ccccc1

STK584037
Synonyms: 2- chloro- N- [(2Z)- 5- [(4- fluorobenzyl)sulfonyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]benzamide
Smiles: Fc1ccc(cc1)CS(=O)(=O)c1n[nH]/c(=N/C(=O)c2ccccc2Cl)/s1

STK584038
Synonyms: (4E)- 1- {5- [(4- chlorobenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 5- (4- methoxyphenyl)pyrrolidine- 2,3- dione
Smiles: COc1ccc(cc1)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK584039
Synonyms: (4E)- 4- [(4- ethoxyphenyl)(hydroxy)methylidene]- 5- (furan- 2- yl)- 1- [2- (2- hydroxyethoxy)ethyl]pyrrolidine- 2,3- dione
Smiles: OCCOCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)OCC)/O)/C1c1ccco1

STK584041
Synonyms: 2- ({5- [(4- chlorophenoxy)methyl]- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2- ethyl- 6- methylphenyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2c(C)cccc2CC)nnc1COc1ccc(cc1)Cl

STK584043
Synonyms: 2- (2,6- dichlorophenyl)- 1- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 2(1H)- yl)ethanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)Cc1c(Cl)cccc1Cl

STK584045
Synonyms: 5,6- dimethyl- 2- [(naphthalen- 1- ylmethyl)amino][1,2,4]triazolo[1,5- a]pyrimidin- 7(3H)- one
Smiles: Cc1nc2[nH]c(nn2c(=O)c1C)NCc1cccc2c1cccc2

STK584046
Synonyms: N- [(2Z)- 2- (butanoylimino)- 2,3- dihydro- 1,3- benzothiazol- 6- yl]- 2- iodobenzamide
Smiles: CCCC(=O)/N=c\1/[nH]c2c(s1)cc(cc2)NC(=O)c1ccccc1I

STK584047
Synonyms: N- [2- (3,4- dimethoxyphenyl)ethyl]- 2- (9- fluoro- 5- oxo- 2,3- dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4- b]indol- 6(5H)- yl)acetamide
Smiles: COc1cc(CCNC(=O)Cn2c3ccc(cc3c3c2c(=O)n2CCSc2n3)F)ccc1OC

STK584048
Synonyms: 4- {[(E)- (2,3- dimethoxyphenyl)methylidene]amino}- 5- (3- methoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1cccc(c1OC)OC

STK584049
Synonyms: 2- {[2- (4- bromophenyl)- 2- oxoethyl]sulfanyl}- 4- (furan- 2- yl)- 5- hydroxy- 4,6,7,8- tetrahydroquinoline- 3- carbonitrile
Smiles: N#CC1=C(SCC(=O)c2ccc(cc2)Br)N=C2C(=C(O)CCC2)C1c1ccco1

STK584051
Synonyms: N- [(2E)- 3- (3- fluorophenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 2- (4- methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)CC(=O)/N=C\1/SC2C(N1c1cccc(c1)F)CS(=O)(=O)C2

STK584052
Synonyms: 3- amino- 5- oxo- N- (2- phenylethyl)- 5,6,7,8- tetrahydrothieno[2,3- b]quinoline- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)cc1c(n2)CCCC1=O)NCCc1ccccc1

STK584053
Synonyms: N- (5- chloro- 2- methylphenyl)- 2- {[5- (3- chlorophenyl)- 4- (4- chlorophenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: Clc1ccc(cc1)n1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1c1cccc(c1)Cl

STK584054
Synonyms: N- (2- bromo- 4- methylphenyl)- 2- {[5- (2- fluorophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1Br)C)CSc1nnc(n1c1ccccc1)c1ccccc1F

STK584055
Synonyms: 2- {[4- (4- methoxyphenyl)- 5- (3- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [3- (trifluoromethyl)phenyl]acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)C(F)(F)F)nnc1c1cccc(c1)C

STK584059
Synonyms: N- [(2Z)- 3- (2- fluorophenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]cyclopropanecarboxamide
Smiles: O=C(C1CC1)/N=C/1\SC2C(N1c1ccccc1F)CS(=O)(=O)C2

STK584060
Synonyms: 8,8- dimethyl- 5- (phenylamino)- 3- (propylsulfanyl)- 7,10- dihydro- 8H- pyrano[3,4- c][1,2,4]triazolo[4,3- a]pyridine- 6- carbonitrile
Smiles: CCCSc1nnc2n1c(Nc1ccccc1)c(C#N)c1c2COC(C1)(C)C

STK584061
Synonyms: 6- hydroxy- 7- [2- hydroxy- 3- (3- methylphenoxy)propyl]- 3- methyl- 8- [(pyridin- 3- ylmethyl)amino]- 3,7- dihydro- 2H- purin- 2- one
Smiles: Cc1cccc(c1)OCC(Cn1c(NCc2cccnc2)nc2c1c(O)nc(=O)n2C)O

STK584063
Synonyms: (5s,7s)- 2- [4- (benzyloxy)phenyl]- 5- methyl- 7- phenyl- 1,3- diazatricyclo[3.3.1.1~3,7~]decan- 6- one
Smiles: O=C1[C@]2(C)CN3C[C@]1(CN(C2)C3c1ccc(cc1)OCc1ccccc1)c1ccccc1

STK584064
Synonyms: 2- [(2,4- dichlorophenoxy)methyl]- 5- {[2- (dimethylamino)ethyl]amino}- 1,3- oxazole- 4- carbonitrile
Smiles: N#Cc1nc(oc1NCCN(C)C)COc1ccc(cc1Cl)Cl

STK584065
Synonyms: (3aR,6aS)- 5- benzyl- 3- (3,4- dimethoxyphenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: COc1cc(ccc1OC)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)Cc1ccccc1

STK584066
Synonyms: 4- [4- (benzyloxy)phenyl]- 6- hydroxy- 2- (propylsulfanyl)- 4,5- dihydropyridine- 3- carbonitrile
Smiles: CCCSC1=C(C#N)C(CC(=N1)O)c1ccc(cc1)OCc1ccccc1

STK584068
Synonyms: N- [3- (dimethylamino)propyl]- 2,3- dihydro- 1H- cyclopenta[b]quinoline- 9- carboxamide
Smiles: CN(CCCNC(=O)c1c2CCCc2nc2c1cccc2)C

STK584069
Synonyms: 4- {[(E)- (2- bromophenyl)methylidene]amino}- 5- (3- ethoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccccc1Br

STK584070
Synonyms: (3a'S,6a'R)- 5- bromo- 5'- (2- phenylethyl)- 3'- (propan- 2- yl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: Brc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)CCc1ccccc1)C(C)C)C(=O)N2

STK584071
Synonyms: N- (2- bromophenyl)- 6- (4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)hexanamide
Smiles: O=C(Nc1ccccc1Br)CCCCCn1nnc2c(c1=O)cccc2

STK584072
Synonyms: 9- (3- methoxyphenyl)- 6,6- dimethyl- 2- (methylsulfanyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: COc1cccc(c1)C1C2=C(O)CC(CC2=Nc2n1nc(n2)SC)(C)C

STK584075
Synonyms: 6- chloro- 2- oxo- 4- propyl- 2H- chromen- 7- ylN- [(benzyloxy)carbonyl]- L- isoleucinate
Smiles: CCCc1cc(=O)oc2c1cc(Cl)c(c2)OC(=O)[C@H]([C@@H](CC)C)NC(=O)OCc1ccccc1

STK584076
Synonyms: 1- {(2E)- 2- [(2- chloroquinolin- 3- yl)methylidene]hydrazinyl}- 2- ethyl- 3- methylpyrido[1,2- a]benzimidazole- 4- carbonitrile
Smiles: CCc1c(C)c(C#N)c2n(c1N/N=C/c1cc3ccccc3nc1Cl)c1ccccc1n2

STK584079
Synonyms: 7- chloro- 1- (3- hydroxyphenyl)- 2- (6- methyl- 1,3- benzothiazol- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Oc1cccc(c1)C1N(c2sc3c(n2)ccc(c3)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl

STK584081
Synonyms: N- (3,4- dimethylphenyl)- 2- {[4- (4- ethoxyphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)C)C)nnc1COc1ccccc1

STK584082
Synonyms: 4- (2,5- dimethoxyphenyl)- 5- {[2- (pyridin- 2- yl)- 1H- benzimidazol- 1- yl]methyl}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccc(c(c1)n1c(n[nH]c1=S)Cn1c(nc2c1cccc2)c1ccccn1)OC

STK584083
Synonyms: 2- {[5- (3- chlorophenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [3- (trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CSc1nnc(n1c1ccc(cc1)C)c1cccc(c1)Cl

STK584084
Synonyms: 5- (3,4- dichlorophenyl)- N'- [(E)- pyridin- 2- ylmethylidene]- 1H- pyrazole- 3- carbohydrazide
Smiles: O=C(c1n[nH]c(c1)c1ccc(c(c1)Cl)Cl)N/N=C/c1ccccn1

STK584085
Synonyms: 2- hydroxy- N'- [(E)- (6- methoxy- 1H- indol- 3- yl)methylidene]benzohydrazide
Smiles: COc1ccc2c(c1)[nH]cc2/C=N/NC(=O)c1ccccc1O

STK584086
Synonyms: 4- [(2E)- 2- {[5- (2- methoxy- 5- nitrophenyl)furan- 2- yl]methylidene}hydrazinyl]- 5- phenylthieno[2,3- d]pyrimidine
Smiles: COc1ccc(cc1c1ccc(o1)/C=N/Nc1ncnc2c1c(cs2)c1ccccc1)[N+](=O)[O-]

STK584088
Synonyms: (6E)- 6- [(2,3- dimethylphenyl)imino]- 4- (3- methyl- 1- benzofuran- 2- yl)- 1,6- dihydro- 1,3,5- triazin- 2- amine
Smiles: Nc1[nH]/c(=N\c2cccc(c2C)C)/nc(n1)c1oc2c(c1C)cccc2

STK584089
Synonyms: 1',3'- dimethyl- 8- nitro- 1,2,4,4a- tetrahydro- 2'H,6H- spiro[1,4- oxazino[4,3- a]quinoline- 5,5'- pyrimidine]- 2',4',6'(1'H,3'H)- trione
Smiles: O=C1N(C)C(=O)C2(C(=O)N1C)Cc1cc(ccc1N1C2COCC1)[N+](=O)[O-]

STK584093
Synonyms: 3- (2- methyl- 1H- benzimidazol- 1- yl)- N- (naphthalen- 1- yl)propanamide
Smiles: O=C(Nc1cccc2c1cccc2)CCn1c(C)nc2c1cccc2

STK584095
Synonyms: 2- {[4- amino- 5- (2,4,5,6- tetrahydrocyclopenta[c]pyrazol- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 1- (3,4- dimethoxyphenyl)ethanone
Smiles: COc1cc(ccc1OC)C(=O)CSc1nnc(n1N)c1[nH]nc2c1CCC2

STK584096
Synonyms: 6- chloro- 7- [(E)- (1,3- dihydro- 2H- benzimidazol- 2- ylidenehydrazinylidene)methyl][1,3]dioxolo[4,5- g]quinoline
Smiles: Clc1nc2cc3OCOc3cc2cc1/C=N/N=c/1\[nH]c2c([nH]1)cccc2

STK584101
Synonyms: 2- [(3,4- dichlorophenyl)sulfonyl]- 6,7- dimethoxy- 1,2,3,4- tetrahydroisoquinoline
Smiles: COc1cc2CCN(Cc2cc1OC)S(=O)(=O)c1ccc(c(c1)Cl)Cl

STK584102
Synonyms: N- (biphenyl- 2- yl)- 2- {[4- (4- methoxyphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2c2ccccc2)nnc1COc1ccccc1

STK584103
Synonyms: 5- (3- ethoxyphenyl)- 4- {[(E)- (2,3,4- trimethoxyphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(c(c1OC)OC)OC

STK584104
Synonyms: 3- (2- chlorobenzyl)- 1,7- dimethyl- 8- (tetrahydrofuran- 2- ylmethyl)- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: Clc1ccccc1Cn1c(=O)n(C)c2c(c1=O)n1cc(n(c1n2)CC1CCCO1)C

STK584105
Synonyms: 8- [(2- methoxyethyl)sulfanyl]- 1,3- dimethyl- 7- (3- phenylpropyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: COCCSc1nc2c(n1CCCc1ccccc1)c(=O)n(c(=O)n2C)C

STK584106
Synonyms: (5E)- 6- hydroxy- 3- (2- methylphenyl)- 5- {1- [(1- phenylethyl)amino]propylidene}pyrimidine- 2,4(3H,5H)- dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1C)O)/NC(c1ccccc1)C

STK584107
Synonyms: 4- chloro- N- (1- imino- 1,3- dihydro- 2H- isoindol- 2- yl)benzamide
Smiles: Clc1ccc(cc1)C(=O)NN1Cc2c(C1=N)cccc2

STK584108
Synonyms: N- [3- (4- fluorophenyl)- 4- oxo- 4H- thiochromen- 2- yl]- 3- nitrobenzamide
Smiles: Fc1ccc(cc1)c1c(NC(=O)c2cccc(c2)[N+](=O)[O-])sc2c(c1=O)cccc2

STK584109
Synonyms: N- (4- chloro- 2- methoxy- 5- methylphenyl)- 2- ({5- [(4- chlorophenoxy)methyl]- 4- ethyl- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: CCn1c(SCC(=O)Nc2cc(C)c(cc2OC)Cl)nnc1COc1ccc(cc1)Cl

STK584110
Synonyms: 2- {[9- (methylsulfanyl)- 4- (propan- 2- yl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 7- yl]sulfanyl}- N- (pyridin- 2- yl)acetamide
Smiles: CSc1nc(SCC(=O)Nc2ccccn2)c2c(n1)c1c(s2)nc(c2c1CCC2)C(C)C

STK584111
Synonyms: 7'- {(E)- [1- (4- fluorophenyl)- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}- 1,3- dimethyl- 1',2',3',3a'- tetrahydro- 2H,5'H- spiro[pyrimidine- 5,4'- pyrrolo[1,2- a]quinoline]- 2,4,6(1H,3H)- trion
Smiles: Fc1ccc(cc1)N1C(=O)N=C(/C(=C\c2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C1=O)O

STK584115
Synonyms: 4- hydroxy- 1,6,7- trimethyl- 8- propyl- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: CCCn1c2nc3c(n2c(c1C)C)c(O)nc(=O)n3C

STK584116
Synonyms: 2- (10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl)aniline
Smiles: Nc1ccccc1c1nn2c(n1)c1c(nc2)sc2c1CC(C)(C)OC2

STK584117
Synonyms: 6- butyl- 1- (4- fluorophenyl)- 2- hydroxy- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: CCCCN1CNc2c(C1)c(=O)nc(n2c1ccc(cc1)F)O

STK584118
Synonyms: 7- ethyl- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1- (3- propoxyphenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCCOc1cccc(c1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)CC

STK584119
Synonyms: 1- (4- chlorophenyl)- 2- {[2- (4- methoxyphenyl)- 7,7- dimethyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl]sulfanyl}ethanone
Smiles: COc1ccc(cc1)c1nc(SCC(=O)c2ccc(cc2)Cl)c2c(n1)CC(OC2)(C)C

STK584121
Synonyms: 2- [(4,8- dimethyl- 2- oxo- 2H- chromen- 7- yl)oxy]- N- (pyridin- 2- ylmethyl)propanamide
Smiles: O=C(C(Oc1ccc2c(c1C)oc(=O)cc2C)C)NCc1ccccn1

STK584122
Synonyms: methyl4- {[6- (4- oxoquinazolin- 3(4H)- yl)hexanoyl]amino}benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)CCCCCn1cnc2c(c1=O)cccc2

STK584123
Synonyms: 3- (2- methyl- 1H- benzimidazol- 1- yl)- N- (naphthalen- 2- yl)propanamide
Smiles: O=C(Nc1ccc2c(c1)cccc2)CCn1c(C)nc2c1cccc2

STK584124
Synonyms: 2'- hydroxy- 12- methyl- 1'- (4- methylbenzyl)- 15,16- dihydro- 4'H,4bH,6H,7H- spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1- a]isoquinoline- 5,5'- pyrimidine]- 4',6',7(1'H)- trione
Smiles: Cc1ccc(cc1)CN1C(=NC(=O)C2(C1=O)Cc1c(N3C2c2ccccc2CC3)nc2n(c1=O)cccc2C)O

STK584127
Synonyms: 1- (3,4- dimethoxyphenyl)- 7- methyl- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1cc(ccc1OC)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C

STK584128
Synonyms: N- [3- (2,3,5,9- tetramethyl- 7- oxo- 7H- furo[3,2- g]chromen- 6- yl)propanoyl]norvalyl- S- benzyl- D- cysteine
Smiles: CCCC(C(=O)N[C@@H](C(=O)O)CSCc1ccccc1)NC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C

STK584129
Synonyms: N- [(2S)- 1- [(1,1- dioxidotetrahydrothiophen- 3- yl)amino]- 4- (methylsulfanyl)- 1- oxobutan- 2- yl]- 1- [(4- methylphenyl)sulfonyl]piperidine- 4- carboxamide
Smiles: CSCC[C@@H](C(=O)NC1CCS(=O)(=O)C1)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C

STK584130
Synonyms: 1',3'- dimethyl- 3- [(2E)- 3- phenylprop- 2- en- 1- yl]- 2,3,4,4a- tetrahydro- 1H,2'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidine]- 2',4',6'(1'H,3'H)- trione
Smiles: O=C1N(C)C(=O)C2(C(=O)N1C)Cc1ccccc1N1C2CN(C/C=C/c2ccccc2)CC1

STK584131
Synonyms: N- [(3Z)- 1- ethyl- 8- methyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]- 2- nitrobenzenesulfonamide
Smiles: CCn1[nH]/c(=N\S(=O)(=O)c2ccccc2[N+](=O)[O-])/c2c1nc1c(c2)cccc1C

STK584132
Synonyms: N- (4- butoxyphenyl)- 1- ({1- [(4- methylphenyl)sulfonyl]piperidin- 4- yl}carbonyl)- L- prolinamide
Smiles: CCCCOc1ccc(cc1)NC(=O)[C@@H]1CCCN1C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C

STK584134
Synonyms: 1'- (2- chlorobenzyl)- 2'- hydroxy- 12- methyl- 15,16- dihydro- 4'H,4bH,6H,7H- spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1- a]isoquinoline- 5,5'- pyrimidine]- 4',6',7(1'H)- trione
Smiles: OC1=NC(=O)C2(C(=O)N1Cc1ccccc1Cl)Cc1c(N3C2c2ccccc2CC3)nc2n(c1=O)cccc2C

STK584135
Synonyms: 2,2- dimethyl- N- [2- (morpholin- 4- yl)ethyl]- 5- (propan- 2- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 8- amine
Smiles: CC(c1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3NCCN1CCOCC1)C

STK584137
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)- 6- (1,3- benzodioxol- 5- yl)- 3- (2,4- dimethoxyphenyl)- 4a,7a,8,8a- tetrahydro- 3aH- 4,8- methano[1,2]oxazolo[4,5- f]isoindole- 5,7(4H,6H)- dione
Smiles: COc1ccc(c(c1)OC)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2

STK584138
Synonyms: 1- hydroxy- 5- methyl- 9- oxo- 9H- xanthen- 3- ylN- [(4- methylphenyl)sulfonyl]- D- phenylalaninate
Smiles: O=C([C@H](NS(=O)(=O)c1ccc(cc1)C)Cc1ccccc1)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1C

STK584139
Synonyms: 6,6- dimethyl- 2- (methylsulfanyl)- 9- (3- methylthiophen- 2- yl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CSc1nn2c(n1)N=C1C(=C(O)CC(C1)(C)C)C2c1sccc1C

STK584146
Synonyms: dioctylhexanedioate
Smiles: CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC

STK584147
Synonyms: 4- {[(E)- (2- methoxyphenyl)methylidene]amino}- 5- (3- methylphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1ccccc1/C=N/n1c(=S)[nH]nc1c1cccc(c1)C

STK584148
Synonyms: methylN- [(4- ethylphenyl)carbamoyl]- L- valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)Nc1ccc(cc1)CC

STK584151
Synonyms: N- [2- (1H- imidazol- 5- yl)ethyl]- 2- phenoxyacetamide
Smiles: O=C(COc1ccccc1)NCCc1cnc[nH]1

STK584153
Synonyms: (3a'S,6a'R)- 5'- benzyl- 7- chloro- 3'- (3,4- dihydroxybenzyl)- 5- methyl- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: Cc1cc(Cl)c2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)Cc1ccccc1)Cc1ccc(c(c1)O)O)C(=O)N2

STK584154
Synonyms: 6- hydroxy- 1'- methyl- 6'- nitro- 2'- phenyl- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4(3H)- dione
Smiles: O=C1NC(=O)C2(C(=N1)O)Cc1cc(ccc1N(C2c1ccccc1)C)[N+](=O)[O-]

STK584156
Synonyms: 4- ({(E)- [4- (benzyloxy)- 3- methoxyphenyl]methylidene}amino)- 5- (3- chlorophenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(ccc1OCc1ccccc1)/C=N/n1c(=S)[nH]nc1c1cccc(c1)Cl

STK584158
Synonyms: ethyl4- {[(5- chlorothiophen- 2- yl)sulfonyl]amino}- 5- methoxy- 1,2- dimethyl- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1c(NS(=O)(=O)c1ccc(s1)Cl)c(OC)cc2)C

STK584159
Synonyms: 6- hydroxy- 3- methyl- 7- {3- [(5- methyl- 1,3,4- thiadiazol- 2- yl)sulfanyl]propyl}- 8- (piperidin- 1- yl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: Cc1nnc(s1)SCCCn1c(nc2c1c(O)nc(=O)n2C)N1CCCCC1

STK584160
Synonyms: N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (2- methylpropyl)tetrahydrofuran- 2- carboxamide
Smiles: CC(CN(C(=O)C1CCCO1)Cc1cc2cc(C)ccc2[nH]c1=O)C

STK584161
Synonyms: (2'S,3S,3'S,10b'R)- 2'- (1,3- benzodioxol- 5- ylcarbonyl)- 3'- [(4- fluorophenyl)carbonyl]- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: Fc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc4c(c1)OCO4)C(=O)Nc1c2cccc1)cccc3

STK584162
Synonyms: (3R,3'S,3a'S,6a'R)- 5'- (4- chloro- 2- methoxy- 5- methylphenyl)- 3'- (propan- 2- yl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: COc1cc(Cl)c(cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@]1(N[C@H]2C(C)C)C(=O)Nc2c1cccc2)C

STK584163
Synonyms: N- [2- (4- chlorophenyl)- 6- methyl- 5- oxo- 4- phenyl- 2,5- dihydropyridazin- 3- yl]- 2- methylbenzamide
Smiles: Clc1ccc(cc1)n1nc(C)c(=O)c(c1NC(=O)c1ccccc1C)c1ccccc1

STK584164
Synonyms: ethyl2- [1- (3- hydroxyphenyl)- 3,9- dioxo- 3,9- dihydrochromeno[2,3- c]pyrrol- 2(1H)- yl]- 1,3- benzothiazole- 6- carboxylate
Smiles: CCOC(=O)c1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1cccc(c1)O)c(=O)c1c(o2)cccc1

STK584165
Synonyms: 8- (5,6,7,8- tetrahydronaphthalen- 2- ylsulfonyl)- 3,4,7,8,9,10- hexahydro- 2H- [1,4]dioxepino[2,3- g]isoquinoline
Smiles: O=S(=O)(c1ccc2c(c1)CCCC2)N1CCc2c(C1)cc1c(c2)OCCCO1

STK584168
Synonyms: 2- amino- 5- hydroxy- 7- methyl- 4- (pyridin- 3- yl)- 4H- pyrano[3,2- c]pyridine- 3- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1cccnc1)c(O)nc(c2)C

STK584169
Synonyms: (5E)- 3- tert- butyl- 5- {[(furan- 2- ylmethyl)amino]methylidene}- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: O=C1N=C(O)/C(=C\NCc2ccco2)/C(=O)N1C(C)(C)C

STK584170
Synonyms: N- [3,5- bis(trifluoromethyl)phenyl]- 2- {[4- ethyl- 5- (2- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccccc1c1nnc(n1CC)SCC(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F

STK584173
Synonyms: 2- [(E)- 2- (4- methoxyphenyl)ethenyl]- 1- (propan- 2- yl)- 1H- benzimidazole
Smiles: COc1ccc(cc1)/C=C/c1nc2c(n1C(C)C)cccc2

STK584174
Synonyms: 2- (6- ethoxy- 1,3- benzothiazol- 2- yl)- 1- (2- fluorophenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCOc1ccc2c(c1)sc(n2)N1C(=O)c2c(C1c1ccccc1F)c(=O)c1c(o2)cccc1

STK584176
Synonyms: 7- bromo- 1- (4- chlorophenyl)- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Clc1ccc(cc1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Br

STK584177
Synonyms: 7- ethyl- 1,3- dimethyl- 8- [(4- phenylpiperazin- 1- yl)methyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCn1c(CN2CCN(CC2)c2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

STK584178
Synonyms: 3- [(2S)- 1- (4- benzylpiperidin- 1- yl)- 1- oxopropan- 2- yl]- 1,2,3- benzotriazin- 4(3H)- one
Smiles: C[C@H](n1nnc2c(c1=O)cccc2)C(=O)N1CCC(CC1)Cc1ccccc1

STK584179
Synonyms: N- (2,4- dimethoxyphenyl)- 2- {[4- phenyl- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1cc(OC)ccc1NC(=O)CSc1nnc(n1c1ccccc1)c1ccccn1

STK584180
Synonyms: (4E)- 5- (4- chlorophenyl)- 1- (furan- 2- ylmethyl)- 4- [hydroxy(3- nitrophenyl)methylidene]pyrrolidine- 2,3- dione
Smiles: Clc1ccc(cc1)C1/C(=C(/c2cccc(c2)[N+](=O)[O-])\O)/C(=O)C(=O)N1Cc1ccco1

STK584184
Synonyms: 1'- (2- chlorobenzyl)- 1- ethyl- 2,10- dimethyl- 2H,2'H,4H- spiro[dipyrido[1,2- a:2',3'- d]pyrimidine- 3,5'- pyrimidine]- 2',4',5,6'(1H,1'H,3'H)- tetrone
Smiles: CCN1c2nc3c(C)cccn3c(=O)c2CC2(C1C)C(=O)NC(=O)N(C2=O)Cc1ccccc1Cl

STK584185
Synonyms: (4E)- 1- {5- [(2,4- dichlorobenzyl)sulfanyl]- 1,3,4- thiadiazol- 2- yl}- 5- [3- ethoxy- 4- (pentyloxy)phenyl]- 4- [hydroxy(2- methyl- 2,3- dihydro- 1- benzofuran- 5- yl)methylidene]pyrrolidine- 2,3- dione
Smiles: CCCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1nnc(s1)SCc1ccc(cc1Cl)Cl

STK584186
Synonyms: ethyl3- ({[(2S)- 1- methoxy- 3- methyl- 1- oxobutan- 2- yl]carbamoyl}amino)benzoate
Smiles: CCOC(=O)c1cccc(c1)NC(=O)N[C@H](C(=O)OC)C(C)C

STK584188
Synonyms: 2- {[4- (4- methylphenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (4- sulfamoylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)N)CSc1nnc(n1c1ccc(cc1)C)c1ccccn1

STK584189
Synonyms: 3- (4- methylphenyl)- 12- (thiophen- 2- yl)- 2,3,4,12- tetrahydrobenzimidazo[2,1- b]quinazolin- 1- ol
Smiles: Cc1ccc(cc1)C1CC(=C2C(=Nc3n(C2c2cccs2)c2c(n3)cccc2)C1)O

STK584190
Synonyms: 3- (1H- benzimidazol- 1- yl)- 1- [4- (2- fluorophenyl)piperazin- 1- yl]propan- 1- one
Smiles: O=C(N1CCN(CC1)c1ccccc1F)CCn1cnc2c1cccc2

STK584191
Synonyms: N- [(2E)- 3- (2- chlorophenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 2- methoxyacetamide
Smiles: COCC(=O)/N=C\1/SC2C(N1c1ccccc1Cl)CS(=O)(=O)C2

STK584192
Synonyms: 3- {2- [2- (2- chloro- 5- methylphenoxy)ethoxy]ethyl}- 2- (4- chlorophenyl)quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCOCCOc1cc(C)ccc1Cl

STK584195
Synonyms: 3- [(10aS)- 1,3- dioxo- 1,5,10,10a- tetrahydroimidazo[1,5- b]isoquinolin- 2(3H)- yl]- N- (2- methylpropyl)propanamide
Smiles: CC(CNC(=O)CCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1)C

STK584196
Synonyms: 6- chloro- 4- ethyl- 9- (pyridin- 2- yl)- 9,10- dihydro- 2H,8H- chromeno[8,7- e][1,3]oxazin- 2- one
Smiles: CCc1cc(=O)oc2c1cc(Cl)c1c2CN(CO1)c1ccccn1

STK584197
Synonyms: 2- (3,4- dimethoxyphenyl)- 2,5,5- trimethyl- 4- phenyl- 2,5- dihydro- 1H- imidazol- 1- ol3- oxide
Smiles: COc1cc(ccc1OC)C1(C)[N+](=C(C(N1O)(C)C)c1ccccc1)[O-]

STK584198
Synonyms: N- (3- chloro- 4- fluorophenyl)- 2- {[4- phenyl- 5- (pyrazin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)Cl)F)CSc1nnc(n1c1ccccc1)c1nccnc1

STK584200
Synonyms: 5- [(2E)- 3- (4- bromophenyl)prop- 2- enoyl]- 2,6- dihydroxy- 3- (prop- 2- en- 1- yl)pyrimidin- 4(3H)- one
Smiles: C=CCn1c(O)nc(c(c1=O)C(=O)/C=C/c1ccc(cc1)Br)O

STK584202
Synonyms: (4- hydroxy- 1,1- dioxido- 2- pentyl- 2H- 1,2- benzothiazin- 3- yl)(phenyl)methanone
Smiles: CCCCCN1C(=C(O)c2c(S1(=O)=O)cccc2)C(=O)c1ccccc1

STK584203
Synonyms: 2- hydroxy- 1- (4- methylphenyl)- 6- (1- phenylethyl)- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: Cc1ccc(cc1)n1c(O)nc(=O)c2c1NCN(C2)C(c1ccccc1)C

STK584205
Synonyms: N- (2- methoxyethyl)- 3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinoline- 8(7H)- carbothioamide
Smiles: COCCNC(=S)N1CCc2c(C1)cc1c(c2)OCCCO1

STK584206
Synonyms: 2- {[4- (furan- 2- ylmethyl)- 5- (3- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3- methoxyphenyl)acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nnc(n1Cc1ccco1)c1cccc(c1)OC

STK584207
Synonyms: 3- [(4- chlorophenoxy)methyl]- 4- (4- methoxyphenyl)- 5- [(3- methylbenzyl)sulfanyl]- 4H- 1,2,4- triazole
Smiles: COc1ccc(cc1)n1c(nnc1SCc1cccc(c1)C)COc1ccc(cc1)Cl

STK584208
Synonyms: 9- hydroxy- 7,10- diphenyl- 6,7,8,10- tetrahydro- 11H- indeno[1,2- b]quinolin- 11- one
Smiles: OC1=C2C(=NC3=C(C2c2ccccc2)C(=O)c2c3cccc2)CC(C1)c1ccccc1

STK584210
Synonyms: N- (3,5- dimethoxyphenyl)- 2- {[4- (4- methoxyphenyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cc(OC)cc(c2)OC)nnc1Cc1cccs1

STK584212
Synonyms: 2- [3- (furan- 2- ylmethyl)- 4- imino- 6,6- dimethyl- 2- oxo- 3,4,5,8- tetrahydro- 2H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 1(6H)- yl]- N- (naphthalen- 1- yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)Cn1c(=O)n(Cc2ccco2)c(=N)c2c1sc1c2CC(OC1)(C)C

STK584213
Synonyms: 2- (3- tert- butyl- 4,9- dimethyl- 7- oxo- 7H- furo[2,3- f]chromen- 8- yl)- N- (2- hydroxy- 2- phenylethyl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)c1occ(c1c(c2)C)C(C)(C)C)NCC(c1ccccc1)O

STK584214
Synonyms: N- [(2Z)- 5- (benzylsulfonyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]naphthalene- 1- carboxamide
Smiles: O=C(c1cccc2c1cccc2)/N=c\1/[nH]nc(s1)S(=O)(=O)Cc1ccccc1

STK584216
Synonyms: 2- ({4- amino- 5- [5- (4- chlorophenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- [2- methyl- 6- (propan- 2- yl)phenyl]acetamide
Smiles: O=C(Nc1c(C)cccc1C(C)C)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)Cl

STK584217
Synonyms: N- (2- ethylphenyl)- 2- {[4- (4- methylphenyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCc1ccccc1NC(=O)CSc1nnc(n1c1ccc(cc1)C)Cc1cccs1

STK584219
Synonyms: 1- [2- (5- methyl- 1H- indol- 3- yl)ethyl]- 3- (3,4,5- trimethoxyphenyl)thiourea
Smiles: COc1cc(NC(=S)NCCc2c[nH]c3c2cc(C)cc3)cc(c1OC)OC

STK584220
Synonyms: 4- ({(E)- [4- (dimethylamino)phenyl]methylidene}amino)- 5- (3- ethoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)N(C)C

STK584221
Synonyms: 1'- (2- chlorobenzyl)- 2'- hydroxy- 15,16- dihydro- 4'H,4bH,6H,7H- spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[2,1- a]isoquinoline- 5,5'- pyrimidine]- 4',6',7(1'H)- trione
Smiles: OC1=NC(=O)C2(C(=O)N1Cc1ccccc1Cl)Cc1c(N3C2c2ccccc2CC3)nc2n(c1=O)cccc2

STK584222
Synonyms: (2'S,3S,3'S,10b'R)- 3'- [(2,5- dimethoxyphenyl)carbonyl]- 2'- (phenylcarbonyl)- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: COc1ccc(c(c1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccccc1)C(=O)Nc1c2cccc1)cccc3)OC

STK584223
Synonyms: N- (4- butylphenyl)- 2- {[5- (phenoxymethyl)- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCCCc1ccc(cc1)NC(=O)CSc1nnc(n1CC=C)COc1ccccc1

STK584224
Synonyms: (4E)- 4- ({[(1- ethylpyrrolidin- 2- yl)methyl]amino}methylidene)- 2- (3- methoxyphenyl)isoquinoline- 1,3(2H,4H)- dione
Smiles: CCN1CCCC1CN/C=C/1\c2ccccc2C(=O)N(C1=O)c1cccc(c1)OC

STK584225
Synonyms: 1- hydroxy- 5- methyl- 9- oxo- 9H- xanthen- 3- ylN- (tert- butoxycarbonyl)norvalinate
Smiles: CCCC(C(=O)Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1C)NC(=O)OC(C)(C)C

STK584227
Synonyms: (4E)- 1- (furan- 2- ylmethyl)- 4- [hydroxy(3- nitrophenyl)methylidene]- 5- (3- nitrophenyl)pyrrolidine- 2,3- dione
Smiles: O=C1C(=O)/C(=C(\c2cccc(c2)[N+](=O)[O-])/O)/C(N1Cc1ccco1)c1cccc(c1)[N+](=O)[O-]

STK584228
Synonyms: 3- (1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)- 2- [(Z)- (2- oxo- 1,2,3a,7a- tetrahydro- 3H- indol- 3- ylidene)methyl]quinazolin- 4(3H)- one
Smiles: O=C1NC2C(/C/1=C/c1nc3ccccc3c(=O)n1c1c(C)n(n(c1=O)c1ccccc1)C)C=CC=C2

STK584229
Synonyms: 2- {[5- (3- chlorophenyl)- 4- (4- chlorophenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3,4- dimethoxyphenyl)acetamide
Smiles: COc1ccc(cc1OC)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1cccc(c1)Cl

STK584230
Synonyms: 4- ({S- benzyl- N- [3- (2,3,5- trimethyl- 7- oxo- 7H- furo[3,2- g]chromen- 6- yl)propanoyl]- D- cysteinyl}amino)butanoicacid
Smiles: O=C(N[C@@H](C(=O)NCCCC(=O)O)CSCc1ccccc1)CCc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C

STK584231
Synonyms: 5- [4- (dimethylamino)phenyl]- 4- {[(E)- (2- fluorophenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Fc1ccccc1/C=N/n1c(=S)[nH]nc1c1ccc(cc1)N(C)C

STK584232
Synonyms: N- (3- chlorophenyl)- 2- ({4- (4- ethoxyphenyl)- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)Cl)nnc1COc1ccc(cc1)C

STK584234
Synonyms: (3a'S,6a'R)- 5- chloro- 3'- (1H- indol- 3- ylmethyl)- 5'- (3- methoxyphenyl)- 7- methyl- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: COc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2c[nH]c3c2cccc3)C(=O)Nc2c1cc(Cl)cc2C

STK584235
Synonyms: 2- (5- methyl- 1,2- oxazol- 3- yl)- 1- [3- (prop- 2- en- 1- yloxy)phenyl]- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: C=CCOc1cccc(c1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK584236
Synonyms: 6- hydroxy- 7- [2- hydroxy- 3- (3- methylphenoxy)propyl]- 3- methyl- 8- (pyrrolidin- 1- yl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: OC(Cn1c(nc2c1c(O)nc(=O)n2C)N1CCCC1)COc1cccc(c1)C

STK584237
Synonyms: 3- (2- chlorophenyl)- 4- (4- methylphenyl)- 5- {[3- (trifluoromethyl)benzyl]sulfanyl}- 4H- 1,2,4- triazole
Smiles: Cc1ccc(cc1)n1c(SCc2cccc(c2)C(F)(F)F)nnc1c1ccccc1Cl

STK584238
Synonyms: 3- (2- chlorophenyl)- 7- (3,4- dimethylphenyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: Clc1ccccc1c1nnc2n1cnc1c2cnn1c1ccc(c(c1)C)C

STK584239
Synonyms: 1- [3- (dimethylamino)propyl]- 3- (4- fluorophenyl)- 1,5,6,7,8,9- hexahydro- 2H- cyclohepta[4,5]thieno[2,3- d]pyrimidine- 2,4(3H)- dione
Smiles: CN(CCCn1c2sc3c(c2c(=O)n(c1=O)c1ccc(cc1)F)CCCCC3)C

STK584240
Synonyms: 6- (2- fluorobenzyl)- 9- methoxy- 2,3- dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4- b]indol- 5(6H)- one
Smiles: COc1ccc2c(c1)c1nc3SCCn3c(=O)c1n2Cc1ccccc1F

STK584244
Synonyms: 2- (2,4- dichlorophenoxy)- 1- (7- methyl- 3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinolin- 8(7H)- yl)propan- 1- one
Smiles: Clc1ccc(c(c1)Cl)OC(C(=O)N1CCc2c(C1C)cc1c(c2)OCCCO1)C

STK584245
Synonyms: (3R)- N- (butan- 2- yl)- 5- oxo- 2,3,5,9b- tetrahydro[1,3]thiazolo[2,3- a]isoindole- 3- carboxamide
Smiles: CCC(NC(=O)[C@@H]1CSC2N1C(=O)c1c2cccc1)C

STK584246
Synonyms: 5- [3- (benzyloxy)phenyl]- N'- [(1E)- 1- (4- hydroxy- 3- methoxyphenyl)ethylidene]- 1H- pyrazole- 3- carbohydrazide
Smiles: COc1cc(ccc1O)/C(=N/NC(=O)c1n[nH]c(c1)c1cccc(c1)OCc1ccccc1)/C

STK584247
Synonyms: 2- (benzylsulfanyl)- 5- hydroxy- 4- (4- methylphenyl)- 4,6,7,8- tetrahydroquinoline- 3- carbonitrile
Smiles: N#CC1=C(SCc2ccccc2)N=C2C(=C(O)CCC2)C1c1ccc(cc1)C

STK584248
Synonyms: 2- [11- (4- chlorophenyl)- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl]phenol
Smiles: Clc1ccc(cc1)C1c2c(C)nn(c2Oc2c1c1nc(nn1cn2)c1ccccc1O)c1ccccc1

STK584250
Synonyms: N~2~- {[1- (1,3- benzodioxol- 5- yl)- 5- oxopyrrolidin- 3- yl]carbonyl}- N- cyclohexyl- L- valinamide
Smiles: CC([C@@H](C(=O)NC1CCCCC1)NC(=O)C1CC(=O)N(C1)c1ccc2c(c1)OCO2)C

STK584251
Synonyms: N- [(2E)- 3- (3- fluorophenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 2- (2- methoxyphenyl)acetamide
Smiles: COc1ccccc1CC(=O)/N=C\1/SC2C(N1c1cccc(c1)F)CS(=O)(=O)C2

STK584252
Synonyms: 2- {[4- (furan- 2- ylmethyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2- methylphenyl)acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nnc(n1Cc1ccco1)COc1ccccc1

STK584253
Synonyms: N'- [(E)- (6- methoxy- 1H- indol- 3- yl)methylidene]- 4- methylbenzenesulfonohydrazide
Smiles: COc1ccc2c(c1)[nH]cc2/C=N/NS(=O)(=O)c1ccc(cc1)C

STK584254
Synonyms: (4E)- 1- (5- acetyl- 4- methyl- 1,3- thiazol- 2- yl)- 5- (4- butoxy- 3- ethoxyphenyl)- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]pyrrolidine- 2,3- dione
Smiles: CCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)C

STK584256
Synonyms: 5- (3- methylphenyl)- 4- {[(E)- (4- methylphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Cc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1cccc(c1)C

STK584258
Synonyms: 5- (4- fluorophenyl)- 4- {[(E)- furan- 2- ylmethylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Fc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccco1

STK584259
Synonyms: 1',6'- dimethyl- 1- phenyl- 2- sulfanyl- 1',4'- dihydro- 2'H,4H- spiro[pyrimidine- 5,3'- quinoline]- 4,6(1H)- dione
Smiles: Cc1ccc2c(c1)CC1(CN2C)C(=O)N=C(N(C1=O)c1ccccc1)S

STK584260
Synonyms: 7- [4- (diphenylmethyl)piperazin- 1- yl]- 6- ethyl- 2,5- dimethyl- 3- phenylpyrazolo[1,5- a]pyrimidine
Smiles: CCc1c(C)nc2n(c1N1CCN(CC1)C(c1ccccc1)c1ccccc1)nc(c2c1ccccc1)C

STK584261
Synonyms: (2S)- 2- (4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)- N- [4- (propan- 2- yl)phenyl]propanamide
Smiles: O=C([C@@H](n1nnc2c(c1=O)cccc2)C)Nc1ccc(cc1)C(C)C

STK584262
Synonyms: (5E)- 5- {[1- (4- bromophenyl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]methylidene}- 3- (furan- 2- ylmethyl)- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: Brc1ccc(cc1)n1c(C)cc(c1C)/C=C/1\C(=NC(=O)N(C1=O)Cc1ccco1)O

STK584263
Synonyms: 9- (4- methoxyphenyl)- 6- (thiophen- 2- yl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: COc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2n1ncn2)c1cccs1

STK584265
Synonyms: 1- (3- chlorophenyl)- 4- (3- methoxyphenyl)- 4,7- dihydrofuro[3,4- b]pyridine- 2,5(1H,3H)- dione
Smiles: COc1cccc(c1)C1CC(=O)N(C2=C1C(=O)OC2)c1cccc(c1)Cl

STK584266
Synonyms: 4- {[(E)- (2,4- dichlorophenyl)methylidene]amino}- 5- (4- ethoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1Cl)Cl

STK584267
Synonyms: 2- (4- benzylpiperazin- 1- yl)- 5- ethyl- 6- methylpyrimidin- 4- ol
Smiles: CCc1c(C)nc(nc1O)N1CCN(CC1)Cc1ccccc1

STK584268
Synonyms: 1- {[1- (tert- butoxycarbonyl)- 4- phenylpiperidin- 4- yl]carbonyl}- L- prolyl- D- leucine
Smiles: CC(C[C@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1)C

STK584271
Synonyms: 1,4- bis(4- chlorophenyl)- N- (4- methylphenyl)- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: Clc1ccc(cc1)c1c2CCCCn3c2n(c1C(=O)Nc1ccc(cc1)C)cc3c1ccc(cc1)Cl

STK584272
Synonyms: 4- ({S- benzyl- N- [(2,3,5- trimethyl- 7- oxo- 7H- furo[3,2- g]chromen- 6- yl)acetyl]- L- cysteinyl}amino)butanoicacid
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C)N[C@H](C(=O)NCCCC(=O)O)CSCc1ccccc1

STK584274
Synonyms: N- [(2E)- 6- ethyl- 4- methylquinazolin- 2(1H)- ylidene]- 5- (propan- 2- yl)- 1,4,5,6- tetrahydro- 1,3,5- triazin- 2- amine
Smiles: CCc1ccc2c(c1)c(C)n/c(=N/C1=NCN(CN1)C(C)C)/[nH]2

STK584275
Synonyms: N- [4- (4- acetylpiperazin- 1- yl)phenyl]- 4- methoxy- 1H- indole- 2- carboxamide
Smiles: COc1cccc2c1cc([nH]2)C(=O)Nc1ccc(cc1)N1CCN(CC1)C(=O)C

STK584276
Synonyms: 2- {[7,7- dimethyl- 2- (3- methylphenyl)- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl]sulfanyl}- N- (3- methoxyphenyl)acetamide
Smiles: COc1cccc(c1)NC(=O)CSc1nc(nc2c1COC(C2)(C)C)c1cccc(c1)C

STK584277
Synonyms: 4- butyl- 8- methyl- 2- oxo- 2H- chromen- 7- ylN- [(4- methylphenyl)sulfonyl]- L- valinate
Smiles: CCCCc1cc(=O)oc2c1ccc(c2C)OC(=O)[C@H](C(C)C)NS(=O)(=O)c1ccc(cc1)C

STK584278
Synonyms: (2Z)- 7- {[4- (2- hydroxyethyl)piperazin- 1- ium- 1- yl]methyl}- 2- [(3- methylthiophen- 2- yl)methylidene]- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1sccc1C)/C2=O

STK584280
Synonyms: 1- (4- chlorophenyl)- 6- (furan- 2- ylmethyl)- 2- sulfanyl- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: Clc1ccc(cc1)n1c(S)nc(=O)c2c1NCN(C2)Cc1ccco1

STK584281
Synonyms: 5- (4- methylphenyl)- 2- phenyl- 3- [4- (trifluoromethoxy)phenyl]dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Cc1ccc(cc1)N1C(=O)C2C(C1=O)ON(C2c1ccc(cc1)OC(F)(F)F)c1ccccc1

STK584283
Synonyms: 3- [(3S,3'S,3a'R,6a'S)- 7- chloro- 2,4',6'- trioxo- 5'- (tetrahydrofuran- 2- ylmethyl)- 1,2,3',3a',4',5',6',6a'- octahydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 3'- yl]propanamide
Smiles: NC(=O)CC[C@@H]1N[C@]2([C@@H]3[C@H]1C(=O)N(C3=O)CC1CCCO1)C(=O)Nc1c2cccc1Cl

STK584284
Synonyms: 2- (4,6- dimethyl- 1,3- benzothiazol- 2- yl)- 1- (pyridin- 3- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Cc1cc(C)c2c(c1)sc(n2)N1C(=O)c2c(C1c1cccnc1)c(=O)c1c(o2)cccc1

STK584285
Synonyms: methyl4- [6- amino- 5- cyano- 3- (4- propoxyphenyl)- 2,4- dihydropyrano[2,3- c]pyrazol- 4- yl]benzoate
Smiles: CCCOc1ccc(cc1)c1[nH]nc2c1C(c1ccc(cc1)C(=O)OC)C(=C(O2)N)C#N

STK584287
Synonyms: (2S)- N- (4- fluorobenzyl)- 2- (1- methyl- 2,4- dioxo- 1,4- dihydroquinazolin- 3(2H)- yl)- 3- phenylpropanamide
Smiles: Fc1ccc(cc1)CNC(=O)[C@@H](n1c(=O)c2ccccc2n(c1=O)C)Cc1ccccc1

STK584288
Synonyms: 1- {4- [(2- chlorobenzyl)oxy]phenyl}- 7- fluoro- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Fc1ccc2c(c1)c(=O)c1c(o2)C(=O)N(C1c1ccc(cc1)OCc1ccccc1Cl)c1noc(c1)C

STK584289
Synonyms: 3- (1H- benzimidazol- 2- yl)- N- (4- methoxybenzyl)propanamide
Smiles: COc1ccc(cc1)CNC(=O)CCc1nc2c([nH]1)cccc2

STK584290
Synonyms: methylN- [(2,5- dimethylphenyl)carbamoyl]- D- valinate
Smiles: COC(=O)[C@@H](C(C)C)NC(=O)Nc1cc(C)ccc1C

STK584292
Synonyms: 5- (2- bromophenyl)- 4- {[(E)- (2,3- dichlorophenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Clc1c(cccc1Cl)/C=N/n1c(=S)[nH]nc1c1ccccc1Br

STK584295
Synonyms: N- (4- {[3- (4- ethylpiperazin- 1- yl)quinoxalin- 2- yl]sulfamoyl}phenyl)acetamide
Smiles: CCN1CCN(CC1)c1nc2ccccc2nc1NS(=O)(=O)c1ccc(cc1)NC(=O)C

STK584296
Synonyms: (4E)- 4- ({[2- (4- methoxyphenyl)ethyl]amino}methylidene)- 2- (2- methylphenyl)isoquinoline- 1,3(2H,4H)- dione
Smiles: COc1ccc(cc1)CCN/C=C/1\c2ccccc2C(=O)N(C1=O)c1ccccc1C

STK584298
Synonyms: (3a'S,6a'R)- 3'- benzyl- 5- chloro- 5'- cycloheptyl- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: Clc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)C1CCCCCC1)Cc1ccccc1)C(=O)N2

STK584300
Synonyms: N- (3- chloro- 4- methoxyphenyl)- 2- {[4- (prop- 2- en- 1- yl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(c(c2)Cl)OC)nnc1Cc1cccs1

STK584304
Synonyms: N- butyl- N,2,2,5- tetramethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 8- amine
Smiles: CCCCN(c1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)C)C

STK584305
Synonyms: 5- (2- hydroxy- 3,5- dimethylphenyl)- N- [5- (2- methylpropyl)- 1,3,4- thiadiazol- 2- yl]- 1H- pyrazole- 3- carboxamide
Smiles: CC(Cc1nnc(s1)NC(=O)c1n[nH]c(c1)c1cc(C)cc(c1O)C)C

STK584306
Synonyms: [(3E)- 3- [(4- chlorophenyl)(hydroxy)methylidene]- 2- (2- nitrophenyl)- 4,5- dioxopyrrolidin- 1- yl]aceticacid
Smiles: OC(=O)CN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1ccccc1[N+](=O)[O-]

STK584307
Synonyms: N- [(2Z)- 5,5- dioxido- 3- [4- (trifluoromethoxy)phenyl]tetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]cyclopropanecarboxamide
Smiles: O=C(C1CC1)/N=C/1\SC2C(N1c1ccc(cc1)OC(F)(F)F)CS(=O)(=O)C2

STK584308
Synonyms: 2,2- dimethyl- 5- (2- methylpropyl)- N- (pyridin- 4- ylmethyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 8- amine
Smiles: CC(Cc1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3NCc1ccncc1)C

STK584309
Synonyms: 2- {[4- (furan- 2- ylmethyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (4- methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nnc(n1Cc1ccco1)COc1ccccc1

STK584310
Synonyms: 1- [(E)- {[(2E)- 4,6- dimethylpyrimidin- 2(1H)- ylidene]amino}{[2- (1H- indol- 3- yl)ethyl]amino}methylidene]- 3- ethylthiourea
Smiles: CCNC(=S)/N=C(/N=c\1/nc(C)cc([nH]1)C)\NCCc1c[nH]c2c1cccc2

STK584311
Synonyms: 5- (4- chlorophenyl)- 6- (3,4- dimethoxyphenyl)- 1,3- dimethyl- 1H- pyrrolo[3,4- d]pyrimidine- 2,4(3H,6H)- dione
Smiles: COc1cc(ccc1OC)n1cc2c(c1c1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C

STK584312
Synonyms: (6E)- 6- {[1- (2,5- dimethylphenyl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]methylidene}- 5- imino- 2- [2- (morpholin- 4- yl)- 2- oxoethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1ccc(c(c1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCOCC1)C

STK584314
Synonyms: N- (3- hydroxypropyl)- 2- [(6- oxo- 6H- benzo[c]chromen- 3- yl)oxy]acetamide
Smiles: OCCCNC(=O)COc1ccc2c(c1)oc(=O)c1c2cccc1

STK584316
Synonyms: 5,6- dimethoxy- N- [3- (morpholin- 4- yl)propyl]- 1H- indole- 2- carboxamide
Smiles: COc1cc2[nH]c(cc2cc1OC)C(=O)NCCCN1CCOCC1

STK584318
Synonyms: N- (3- methoxyphenyl)- 2- {[5- (4- methoxyphenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)c1nnc(n1c1ccc(cc1)C)SCC(=O)Nc1cccc(c1)OC

STK584320
Synonyms: N- (3- chloro- 4- methoxyphenyl)- 2- {[4- phenyl- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)CSc1nnc(n1c1ccccc1)c1ccccn1

STK584321
Synonyms: 4- {[(E)- (2- bromophenyl)methylidene]amino}- 5- (4- fluorophenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Fc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccccc1Br

STK584322
Synonyms: (3S,3'R,3a'R,6a'S)- 7- chloro- 3'- [(4- chlorophenyl)(hydroxy)methyl]- 5'- (2- phenylethyl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: Clc1ccc(cc1)[C@H]([C@@H]1N[C@]2([C@@H]3[C@H]1C(=O)N(C3=O)CCc1ccccc1)C(=O)Nc1c2cccc1Cl)O

STK584324
Synonyms: 5- (2- bromophenyl)- 4- ({(E)- [4- (dimethylamino)phenyl]methylidene}amino)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Brc1ccccc1c1n[nH]c(=S)n1/N=C/c1ccc(cc1)N(C)C

STK584325
Synonyms: 3- [(4- chlorophenoxy)methyl]- 4- ethyl- 5- [(3- fluorobenzyl)sulfanyl]- 4H- 1,2,4- triazole
Smiles: CCn1c(nnc1SCc1cccc(c1)F)COc1ccc(cc1)Cl

STK584327
Synonyms: 4- butoxy- N'- [6- ethyl- 6- methyl- 2- (methylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]benzohydrazide
Smiles: CCCCOc1ccc(cc1)C(=O)NNc1nc(SC)nc2c1c1CC(C)(CC)OCc1s2

STK584328
Synonyms: N- (3- chloro- 2- methylphenyl)- 2- ({5- [(4- methylphenoxy)methyl]- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetamide
Smiles: O=C(Nc1cccc(c1C)Cl)CSc1nnc(n1c1ccc(cc1)C)COc1ccc(cc1)C

STK584329
Synonyms: 2- [(7,7- dimethyl- 2- phenyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl)sulfanyl]- N- (pyridin- 2- yl)acetamide
Smiles: O=C(Nc1ccccn1)CSc1nc(nc2c1COC(C2)(C)C)c1ccccc1

STK584330
Synonyms: 10- (2- hydroxy- 4- methylphenyl)- 1,3,7,7- tetramethyl- 5- phenyl- 1,7,8,10- tetrahydro- 2H- pyrimido[4',5':3,4]pyrrolo[2,1- c][1,4]oxazine- 2,4(3H)- dione
Smiles: Cc1ccc(c(c1)O)C1OCC(n2c1c1n(C)c(=O)n(c(=O)c1c2c1ccccc1)C)(C)C

STK584331
Synonyms: N- [4- (4- chlorophenyl)- 2- (3,4- dimethylphenyl)- 6- methyl- 5- oxo- 2,5- dihydropyridazin- 3- yl]thiophene- 2- carboxamide
Smiles: Clc1ccc(cc1)c1c(=O)c(C)nn(c1NC(=O)c1cccs1)c1ccc(c(c1)C)C

STK584332
Synonyms: 5- (3- methylphenyl)- 4- {[(1E,2E)- 2- methyl- 3- phenylprop- 2- en- 1- ylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: C/C(=C\c1ccccc1)/C=N/n1c(=S)[nH]nc1c1cccc(c1)C

STK584335
Synonyms: 3- [5- (4- methylphenyl)- 1H- pyrazol- 3- yl]- 5- [(4- nitrobenzyl)sulfanyl]- 4H- 1,2,4- triazol- 4- amine
Smiles: Cc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCc1ccc(cc1)[N+](=O)[O-]

STK584338
Synonyms: (3a'S,6a'R)- 5'- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 3'- (1H- indol- 3- ylmethyl)- 5,7- dimethyl- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: Cc1cc(C)c2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc3c(c1)OCCO3)Cc1c[nH]c3c1cccc3)C(=O)N2

STK584339
Synonyms: 6- hydroxy- 7- [2- (4- methoxyphenyl)ethyl]- 3- methyl- 8- (morpholin- 4- yl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: COc1ccc(cc1)CCn1c(nc2c1c(O)nc(=O)n2C)N1CCOCC1

STK584341
Synonyms: N- [(2S)- 1- [(4- fluorobenzyl)amino]- 4- (methylsulfanyl)- 1- oxobutan- 2- yl]- 1- [(4- methylphenyl)sulfonyl]piperidine- 4- carboxamide
Smiles: CSCC[C@@H](C(=O)NCc1ccc(cc1)F)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C

STK584345
Synonyms: 2- ({5- [(4- chlorophenoxy)methyl]- 4- (4- ethoxyphenyl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (3- methylphenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)C)nnc1COc1ccc(cc1)Cl

STK584346
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (2- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [4- (dimethylamino)phenyl]acetamide
Smiles: COc1ccccc1c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1ccc(cc1)N(C)C

STK584348
Synonyms: 6,6- dimethyl- 9- (2,4,5- trimethoxyphenyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: COc1cc(OC)c(cc1C1C2=C(O)CC(CC2=Nc2n1ncn2)(C)C)OC

STK584349
Synonyms: N- [2- ({(1Z)- 1- [4- hydroxy- 2,6- dioxo- 1- (prop- 2- en- 1- yl)- 1,6- dihydropyrimidin- 5(2H)- ylidene]ethyl}amino)phenyl]acetamide
Smiles: C=CCN1C(=O)N=C(/C(=C(/Nc2ccccc2NC(=O)C)\C)/C1=O)O

STK584351
Synonyms: N- [(4E)- 2- (1,3- benzodioxol- 5- yl)- 4H- chromen- 4- ylidene]- 4- (4- methoxyphenyl)- 5- methyl- 1,3- thiazol- 2- amine
Smiles: COc1ccc(cc1)c1nc(sc1C)/N=c/1\cc(oc2c1cccc2)c1ccc2c(c1)OCO2

STK584353
Synonyms: 2- {(E)- [2- (4- benzylpiperazin- 1- yl)- 4- oxo- 1,3- thiazol- 5(4H)- ylidene]methyl}phenylbenzenesulfonate
Smiles: O=C1N=C(S/C/1=C/c1ccccc1OS(=O)(=O)c1ccccc1)N1CCN(CC1)Cc1ccccc1

STK584354
Synonyms: 1- {3- ethoxy- 4- [(4- methylbenzyl)oxy]phenyl}- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCOc1cc(ccc1OCc1ccc(cc1)C)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)cccc1

STK584355
Synonyms: 8- [(E)- (4- hydroxy- 1- methyl- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene)methyl]- 1',3'- dimethyl- 1,2,4,4a- tetrahydro- 2'H,6H- spiro[1,4- oxazino[4,3- a]quinoline- 5,5'- pyrimidine]- 2',4',6'(1'H,3'H)- trione
Smiles: O=C1N=C(O)/C(=C\c2ccc3c(c2)CC2(C4N3CCOC4)C(=O)N(C)C(=O)N(C2=O)C)/C(=O)N1C

STK584356
Synonyms: 7- [2- hydroxy- 3- (3- methylphenoxy)propyl]- 1,3- dimethyl- 8- (4- methylpiperazin- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CN1CCN(CC1)c1nc2c(n1CC(COc1cccc(c1)C)O)c(=O)n(c(=O)n2C)C

STK584357
Synonyms: 3- (4- tert- butylphenyl)- 5- [(3- chlorobenzyl)sulfanyl]- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazole
Smiles: C=CCn1c(SCc2cccc(c2)Cl)nnc1c1ccc(cc1)C(C)(C)C

STK584359
Synonyms: 1'- (2,2- dimethoxyethyl)- 6- hydroxy- 6'- nitro- 3- phenyl- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4(3H)- dione
Smiles: COC(CN1CC2(Cc3c1ccc(c3)[N+](=O)[O-])C(=NC(=O)N(C2=O)c1ccccc1)O)OC

STK584360
Synonyms: 4- ethoxy- N- [(2E)- 4- (4- methylphenyl)- 1,3- thiazol- 2(3H)- ylidene]- 3- nitrobenzamide
Smiles: CCOc1ccc(cc1[N+](=O)[O-])C(=O)/N=c\1/scc([nH]1)c1ccc(cc1)C

STK584361
Synonyms: 3- [(10aS)- 1,3- dioxo- 1,5,10,10a- tetrahydroimidazo[1,5- b]isoquinolin- 2(3H)- yl]- N- (3- methoxybenzyl)propanamide
Smiles: COc1cccc(c1)CNC(=O)CCN1C(=O)[C@H]2N(C1=O)Cc1c(C2)cccc1

STK584363
Synonyms: 2- (4- fluorophenyl)- 8- methoxy- 3- (4- methoxybenzyl)- 4H- chromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: COc1ccc(cc1)Cn1c(nc2c(c1=O)c(=O)c1c(o2)cc(cc1)OC)c1ccc(cc1)F

STK584364
Synonyms: N- (pyridin- 4- ylmethyl)- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine- 2- carboxamide
Smiles: O=C(c1nn2c(n1)c1c(nc2)sc2c1CCCC2)NCc1ccncc1

STK584365
Synonyms: N- (2,5- dimethylphenyl)- 2- [(1- hydroxy- 5- methyl- 9- oxo- 9H- xanthen- 3- yl)oxy]acetamide
Smiles: O=C(Nc1cc(C)ccc1C)COc1cc(O)c2c(c1)oc1c(c2=O)cccc1C

STK584369
Synonyms: 2- {[4- (4- methylphenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [2- (propan- 2- yl)phenyl]acetamide
Smiles: Cc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2C(C)C)nnc1c1ccccn1

STK584370
Synonyms: (2'S,3S,3'S,10b'R)- 3'- [(4- chlorophenyl)carbonyl]- 2'- (furan- 2- ylcarbonyl)- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: Clc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccco1)C(=O)Nc1c2cccc1)cccc3

STK584371
Synonyms: 6- (4- fluorobenzyl)- 9- methoxy- 2,3- dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4- b]indol- 5(6H)- one
Smiles: COc1ccc2c(c1)c1nc3SCCn3c(=O)c1n2Cc1ccc(cc1)F

STK584372
Synonyms: 3- [(Z)- (3- hexyl- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene)methyl]- 9- methyl- 2- (4- phenylpiperazin- 1- yl)- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: CCCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2ccccc2)/C1=O

STK584373
Synonyms: (2Z)- 1- [4- chloro- 3- (pyrrolidin- 1- ylsulfonyl)phenyl]- 2- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 1(2H)- ylidene)ethanone
Smiles: COc1cc2/C(=C/C(=O)c3ccc(c(c3)S(=O)(=O)N3CCCC3)Cl)/NCCc2cc1OC

STK584374
Synonyms: ethyl[(2Z)- 2- {[4- (2,4- dichlorophenoxy)butanoyl]imino}- 2,3- dihydro- 1,3- thiazol- 4- yl]acetate
Smiles: CCOC(=O)Cc1cs/c(=N\C(=O)CCCOc2ccc(cc2Cl)Cl)/[nH]1

STK584377
Synonyms: 2',6'- dihydroxy- 3- methyl- 8- nitro- 2,3,4,4a- tetrahydro- 1H,4'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidin]- 4'- one
Smiles: CN1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=NC(=NC1=O)O)O

STK584378
Synonyms: 2- hydroxy- N'- [(E)- quinoxalin- 5- ylmethylidene]benzohydrazide
Smiles: O=C(c1ccccc1O)N/N=C/c1cccc2c1nccn2

STK584379
Synonyms: N- [2- (2- methoxyethyl)- 1,2,3,4- tetrahydropyrazino[1,2- a]benzimidazol- 8- yl]benzenesulfonamide
Smiles: COCCN1CCn2c(C1)nc1c2ccc(c1)NS(=O)(=O)c1ccccc1

STK584382
Synonyms: 3,4,5- trimethoxy- N- [6- methyl- 2,4- bis(4- methylphenyl)- 5- oxo- 2,5- dihydropyridazin- 3- yl]benzamide
Smiles: COc1cc(cc(c1OC)OC)C(=O)Nc1c(c2ccc(cc2)C)c(=O)c(nn1c1ccc(cc1)C)C

STK584383
Synonyms: 2- {(5Z)- 5- [(2E)- 3- (furan- 2- yl)prop- 2- en- 1- ylidene]- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl}pentanedioicacid
Smiles: OC(=O)CCC(N1C(=S)S/C(=C\C=C\c2ccco2)/C1=O)C(=O)O

STK584384
Synonyms: N- (2- fluorophenyl)- 2- {[4- (4- methylphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: Cc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2F)nnc1COc1ccccc1

STK584385
Synonyms: (5Z)- 5- {[1- (4- chlorophenyl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]methylidene}- 6- hydroxy- 3- phenylpyrimidine- 2,4(3H,5H)- dione
Smiles: Clc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=NC(=O)N(C1=O)c1ccccc1)O

STK584387
Synonyms: 8- (4- ethylpiperazin- 1- yl)- 7- (4- fluorobenzyl)- 6- hydroxy- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: CCN1CCN(CC1)c1nc2c(n1Cc1ccc(cc1)F)c(O)nc(=O)n2C

STK584389
Synonyms: ethyl4'- hydroxy- 8- nitro- 2',6'- dioxo- 1'- (2- phenylethyl)- 1,1',2,4,4a,6'- hexahydro- 2'H,3H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidine]- 3- carboxylate
Smiles: CCOC(=O)N1CCN2C(C1)C1(Cc3c2ccc(c3)[N+](=O)[O-])C(=NC(=O)N(C1=O)CCc1ccccc1)O

STK584390
Synonyms: N- [3- (1,3- benzodioxol- 5- yl)- 1- methyl- 4- oxo- 1,4- dihydroquinolin- 2- yl]- 2- methoxybenzamide
Smiles: COc1ccccc1C(=O)Nc1c(c2ccc3c(c2)OCO3)c(=O)c2c(n1C)cccc2

STK584391
Synonyms: 7- (2,4- dichlorophenyl)- 8- (4- fluorophenyl)- 1,3- dimethyl- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: Fc1ccc(cc1)n1c(cn2c1nc1c2c(=O)n(c(=O)n1C)C)c1ccc(cc1Cl)Cl

STK584392
Synonyms: 8- [(dibenzylamino)methyl]- 1,3- dimethyl- 7- (2- methylpropyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC(Cn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C)C

STK584393
Synonyms: 1- amino- 5- (piperidin- 1- yl)- N- (tetrahydrofuran- 2- ylmethyl)- 6,7,8,9- tetrahydrothieno[2,3- c]isoquinoline- 2- carboxamide
Smiles: O=C(c1sc2c(c1N)c1CCCCc1c(n2)N1CCCCC1)NCC1CCCO1

STK584394
Synonyms: 2,3- dihydro- 1H- imidazo[1,2- a]benzimidazol- 1- yl(5- methoxy- 3- methyl- 1H- indol- 2- yl)methanone
Smiles: COc1ccc2c(c1)c(C)c([nH]2)C(=O)N1CCn2c1nc1c2cccc1

STK584399
Synonyms: 2- [3- (4- fluorophenyl)- 5- methyl- 7- oxo- 7H- furo[3,2- g]chromen- 6- yl]- N- (tetrahydrofuran- 2- ylmethyl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccc(cc1)F)NCC1CCCO1

STK584401
Synonyms: 4- {(2E)- 2- [(2- methyl- 2H- chromen- 3- yl)methylidene]hydrazinyl}- 5- phenylthieno[2,3- d]pyrimidine
Smiles: CC1Oc2ccccc2C=C1/C=N/Nc1ncnc2c1c(cs2)c1ccccc1

STK584402
Synonyms: 7- chloro- 6- methyl- 1- (4- nitrophenyl)- 2- (pyridin- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: O=C1N(c2ccccn2)C(c2c1oc1cc(C)c(cc1c2=O)Cl)c1ccc(cc1)[N+](=O)[O-]

STK584403
Synonyms: 2- (6,7- dimethoxy- 1- methyl- 3,4- dihydroisoquinolin- 2(1H)- yl)- N- (2,3,4- trifluorophenyl)acetamide
Smiles: COc1cc2c(cc1OC)CCN(C2C)CC(=O)Nc1ccc(c(c1F)F)F

STK584404
Synonyms: 2- {[2- (4- oxoquinazolin- 3(4H)- yl)butanoyl]amino}benzamide
Smiles: CCC(n1cnc2c(c1=O)cccc2)C(=O)Nc1ccccc1C(=O)N

STK584405
Synonyms: 1- (8- chloro[1]benzofuro[3,2- d]pyrimidin- 4- yl)piperidine- 4- carboxamide
Smiles: NC(=O)C1CCN(CC1)c1ncnc2c1oc1c2cc(cc1)Cl

STK584406
Synonyms: 4- {[(E)- (5- bromo- 2- hydroxyphenyl)methylidene]amino}- 6- methyl- 3- sulfanyl- 1,2,4- triazin- 5(4H)- one
Smiles: Brc1ccc(c(c1)/C=N/n1c(S)nnc(c1=O)C)O

STK584407
Synonyms: 4- [(1E)- 2- cyano- 3- methoxy- 3- oxoprop- 1- en- 1- yl]- 2- methoxyphenyl4- nitrobenzoate
Smiles: N#C/C(=C\c1ccc(c(c1)OC)OC(=O)c1ccc(cc1)[N+](=O)[O-])/C(=O)OC

STK584408
Synonyms: 1- (4- chlorophenyl)- 2- hydroxy- 6- (2- phenylethyl)- 5,6,7,8- tetrahydropyrimido[4,5- d]pyrimidin- 4(1H)- one
Smiles: Clc1ccc(cc1)n1c(O)nc(=O)c2c1NCN(C2)CCc1ccccc1

STK584409
Synonyms: 4- [(2,5,6- trimethylthieno[2,3- d]pyrimidin- 4- yl)amino]benzoicacid
Smiles: Cc1nc(Nc2ccc(cc2)C(=O)O)c2c(n1)sc(c2C)C

STK584410
Synonyms: (2'S,3S,3'S,10b'R)- 3'- (1,3- benzodioxol- 5- ylcarbonyl)- 2'- [(4- propylphenyl)carbonyl]- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: CCCc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc3c(c2)OCO3)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK584412
Synonyms: N- [(2Z)- 3- (2,4- dimethoxyphenyl)- 5,5- dioxidotetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]acetamide
Smiles: COc1cc(OC)ccc1N1/C(=N/C(=O)C)/SC2C1CS(=O)(=O)C2

STK584413
Synonyms: 1- [7- (4- chlorophenyl)- 5- phenyl- 3,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]pyrrolidine- 2,5- dione
Smiles: Clc1ccc(cc1)C1C=C(N=c2n1nc([nH]2)N1C(=O)CCC1=O)c1ccccc1

STK584415
Synonyms: 1- (1,3- benzodioxol- 5- yl)- 2- {[4- (4- chlorophenyl)- 5- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}ethanone
Smiles: COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)c1ccc2c(c1)OCO2

STK584416
Synonyms: N'- [(E)- (3- hydroxy- 4- methoxyphenyl)methylidene]- 4,7- dimethoxy- 1H- indole- 2- carbohydrazide
Smiles: COc1ccc(cc1O)/C=N/NC(=O)c1[nH]c2c(c1)c(OC)ccc2OC

STK584417
Synonyms: methylN- [(2- methoxyethyl)carbamoyl]- L- phenylalaninate
Smiles: COC(=O)[C@H](Cc1ccccc1)NC(=O)NCCOC

STK584418
Synonyms: N- [(2E)- 5,5- dioxido- 3- (2- phenylethyl)tetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]- 4- phenylbutanamide
Smiles: O=C(/N=C\1/SC2C(N1CCc1ccccc1)CS(=O)(=O)C2)CCCc1ccccc1

STK584419
Synonyms: 5- [2- (benzyloxy)phenyl]- N'- [(E)- (5- bromo- 2- hydroxyphenyl)methylidene]- 1H- pyrazole- 3- carbohydrazide
Smiles: Brc1ccc(c(c1)/C=N/NC(=O)c1n[nH]c(c1)c1ccccc1OCc1ccccc1)O

STK584421
Synonyms: (5Z)- 3- benzyl- 6- hydroxy- 5- {[1- (4- hydroxyphenyl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]methylidene}pyrimidine- 2,4(3H,5H)- dione
Smiles: Oc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=NC(=O)N(C1=O)Cc1ccccc1)O

STK584422
Synonyms: 2- {4- [2,2- dimethyl- 5- (2- methylpropyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 8- yl]piperazin- 1- yl}ethanol
Smiles: OCCN1CCN(CC1)c1ncnc2c1oc1c2c2CC(C)(C)OCc2c(n1)CC(C)C

STK584423
Synonyms: N- (1- benzylpiperidin- 4- yl)- 2- (6- chloro- 7- hydroxy- 4- methyl- 2- oxo- 2H- chromen- 3- yl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)cc(c(c2)O)Cl)NC1CCN(CC1)Cc1ccccc1

STK584426
Synonyms: 2- {[7,7- dimethyl- 2- (3- methylphenyl)- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl]sulfanyl}- N,N- diethylethanamine
Smiles: CCN(CCSc1nc(nc2c1COC(C2)(C)C)c1cccc(c1)C)CC

STK584427
Synonyms: 4- {[(E)- (2- chlorophenyl)methylidene]amino}- 5- (2- fluorophenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Clc1ccccc1/C=N/n1c(=S)[nH]nc1c1ccccc1F

STK584428
Synonyms: 6'- hydroxy- 4- methyl- 3'- (4- methylpentyl)- 3,4- dihydro- 1H,2'H- spiro[benzo[f]quinoline- 2,5'- pyrimidine]- 2',4'(3'H)- dione
Smiles: CC(CCCN1C(=O)N=C(C2(C1=O)CN(C)c1c(C2)c2ccccc2cc1)O)C

STK584431
Synonyms: 6- hydroxy- 3- methyl- 8- [(3- methylbutyl)sulfanyl]- 7- (2- methylprop- 2- en- 1- yl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: CC(=C)Cn1c(SCCC(C)C)nc2c1c(O)nc(=O)n2C

STK584432
Synonyms: (E)- {2- (2,5- dimethoxyphenyl)- 1- [3- (morpholin- 4- ium- 4- yl)propyl]- 4,5- dioxopyrrolidin- 3- ylidene}[3- fluoro- 4- (propan- 2- yloxy)phenyl]methanolate
Smiles: COc1ccc(c(c1)C1/C(=C(/c2ccc(c(c2)F)OC(C)C)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1)OC

STK584433
Synonyms: N- [5- hydroxy- 2- (2- methylphenyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]- 2- phenylacetamide
Smiles: O=C(Nc1cc(O)nc2n1nc(n2)c1ccccc1C)Cc1ccccc1

STK584434
Synonyms: N- (3- bromophenyl)- 2- (2- hydroxy- 4- oxoquinazolin- 3(4H)- yl)acetamide
Smiles: Brc1cccc(c1)NC(=O)Cn1c(O)nc2c(c1=O)cccc2

STK584435
Synonyms: 10- (4- hydroxy- 3- methoxyphenyl)- 1,3- dimethyl- 5- (4- methylphenyl)- 1,7,8,10- tetrahydro- 2H- pyrimido[4',5':3,4]pyrrolo[2,1- c][1,4]oxazine- 2,4(3H)- dione
Smiles: COc1cc(ccc1O)C1OCCn2c1c1n(C)c(=O)n(c(=O)c1c2c1ccc(cc1)C)C

STK584437
Synonyms: 3'- tert- butyl- 7- chloro- 6'- hydroxy- 3- methyl- 2,3,4,4a- tetrahydro- 1H,2'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidine]- 2',4'(3'H)- dione
Smiles: CN1CCN2C(C1)C1(Cc3c2cccc3Cl)C(=NC(=O)N(C1=O)C(C)(C)C)O

STK584438
Synonyms: (2Z)- 2- (3- chlorobenzylidene)- 7- {[4- (2- hydroxyethyl)piperazin- 1- ium- 1- yl]methyl}- 3- oxo- 2,3- dihydro- 1- benzofuran- 6- olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1cccc(c1)Cl)/C2=O

STK584440
Synonyms: 7- (2,4- dichlorophenyl)- 8- (3,4- dimethylphenyl)- 1,3- dimethyl- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: Clc1ccc(c(c1)Cl)c1cn2c(n1c1ccc(c(c1)C)C)nc1c2c(=O)n(C)c(=O)n1C

STK584441
Synonyms: 3- (4- fluorophenyl)- 1- [2- (morpholin- 4- yl)ethyl]- 1,5,6,7,8,9- hexahydro- 2H- cyclohepta[4,5]thieno[2,3- d]pyrimidine- 2,4(3H)- dione
Smiles: Fc1ccc(cc1)n1c(=O)n(CCN2CCOCC2)c2c(c1=O)c1CCCCCc1s2

STK584443
Synonyms: 10- methoxy- 7- (3- methoxybenzyl)- 3,4- dihydro- 2H- [1,3]thiazino[3',2':1,2]pyrimido[5,4- b]indol- 6(7H)- one
Smiles: COc1cccc(c1)Cn1c2ccc(cc2c2c1c(=O)n1CCCSc1n2)OC

STK584444
Synonyms: 3- (3,5- dichloro- 2- hydroxyphenyl)- 5- (4- fluorophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Fc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cc(Cl)cc(c1O)Cl

STK584445
Synonyms: 8- fluoro- 3- [2- (4- fluorophenyl)ethyl]- 5- methyl- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: Fc1ccc(cc1)CCn1cnc2c(c1=O)n(C)c1c2cc(cc1)F

STK584446
Synonyms: 9- (4- fluorophenyl)- 1- methyl- 3- (2- methylpropyl)- 6,7,8,9- tetrahydropyrimido[2,1- f]purine- 2,4(1H,3H)- dione
Smiles: CC(Cn1c(=O)n(C)c2c(c1=O)n1CCCN(c1n2)c1ccc(cc1)F)C

STK584447
Synonyms: (4Z)- 4- {2- [4- (methylsulfanyl)phenyl]- 4H- chromen- 4- ylidene}- 2- (thiophen- 2- yl)- 1,3- oxazol- 5(4H)- one
Smiles: CSc1ccc(cc1)C1=C/C(=C\2/N=C(OC2=O)c2cccs2)/c2c(O1)cccc2

STK584448
Synonyms: 2- (4- benzylpiperazin- 1- yl)- 6- propylpyrimidin- 4- ol
Smiles: CCCc1cc(O)nc(n1)N1CCN(CC1)Cc1ccccc1

STK584449
Synonyms: 3- methylbutyl[(2,5- dimethoxyphenyl)(hydroxy)methyl][4- (dimethylamino)phenyl]phosphinate
Smiles: COc1ccc(cc1C(P(=O)(c1ccc(cc1)N(C)C)OCCC(C)C)O)OC

STK584450
Synonyms: 7- (2- fluorobenzyl)- 8- {[4- (4- methoxyphenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: COc1ccc(cc1)N1CCN(CC1)Cc1nc2c(n1Cc1ccccc1F)c(=O)n(c(=O)n2C)C

STK584451
Synonyms: 8- {[4- (2- fluorophenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 7- (2- methylbenzyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cc1ccccc1Cn1c(CN2CCN(CC2)c2ccccc2F)nc2c1c(=O)n(c(=O)n2C)C

STK584452
Synonyms: 1- (4- ethoxy- 3- methoxyphenyl)- 2- (6- methoxy- 1,3- benzothiazol- 2- yl)- 7- methyl- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCOc1ccc(cc1OC)C1N(c2sc3c(n2)ccc(c3)OC)C(=O)c2c1c(=O)c1c(o2)ccc(c1)C

STK584453
Synonyms: 2- {[2- (3- methoxyphenyl)- 7,7- dimethyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl]sulfanyl}- N- (4- methylphenyl)acetamide
Smiles: COc1cccc(c1)c1nc(SCC(=O)Nc2ccc(cc2)C)c2c(n1)CC(OC2)(C)C

STK584454
Synonyms: 4- {[(E)- (4- bromophenyl)methylidene]amino}- 5- (3,4,5- trimethoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)Br

STK584455
Synonyms: 8- (furan- 2- ylmethyl)- 4- hydroxy- 1,7- dimethyl- 1H- imidazo[2,1- f]purin- 2(8H)- one
Smiles: Oc1nc(=O)n(c2c1n1cc(n(c1n2)Cc1ccco1)C)C

STK584456
Synonyms: N- (1,3- benzodioxol- 5- ylmethyl)- 6,8- dibromo- 2,4- dihydroxyquinoline- 3- carboxamide
Smiles: Brc1cc(Br)c2c(c1)c(O)c(c(n2)O)C(=O)NCc1ccc2c(c1)OCO2

STK584457
Synonyms: (4E)- 4- [(4- bromophenyl)(hydroxy)methylidene]- 1- (2- hydroxyethyl)- 5- [4- (propan- 2- yl)phenyl]pyrrolidine- 2,3- dione
Smiles: OCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Br)/O)/C1c1ccc(cc1)C(C)C

STK584460
Synonyms: 2- (4,6- dimethylpyrimidin- 2- yl)- 4- hydroxy- 6- methyl- 5- (4- methylbenzyl)- 1,2- dihydro- 3H- pyrazolo[3,4- b]pyridin- 3- one
Smiles: Cc1ccc(cc1)Cc1c(C)nc2c(c1O)c(=O)n([nH]2)c1nc(C)cc(n1)C

STK584464
Synonyms: 2- ({4- (4- chlorophenyl)- 5- [(4- methylphenoxy)methyl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (3,4- dimethoxyphenyl)acetamide
Smiles: COc1cc(ccc1OC)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)COc1ccc(cc1)C

STK584465
Synonyms: 6'- hydroxy- 4- methyl- 3'- (1- phenylethyl)- 3,4- dihydro- 1H,2'H- spiro[benzo[f]quinoline- 2,5'- pyrimidine]- 2',4'(3'H)- dione
Smiles: O=C1N=C(O)C2(C(=O)N1C(c1ccccc1)C)CN(C)c1c(C2)c2ccccc2cc1

STK584466
Synonyms: 4- {[(E)- (3,4- dimethoxyphenyl)methylidene]amino}- 5- (pyridin- 2- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(ccc1OC)/C=N/n1c(=S)[nH]nc1c1ccccn1

STK584468
Synonyms: N- (3- fluoro- 4- methylphenyl)- 2- {[5- (2- methylphenyl)- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(c(c2)F)C)nnc1c1ccccc1C

STK584469
Synonyms: (5Z)- 5- {1- [(2,5- dimethoxyphenyl)amino]ethylidene}- 6- hydroxy- 3- (2- methylphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: COc1ccc(c(c1)N/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1C)O)/C)OC

STK584470
Synonyms: 4- {[(E)- (5- methylfuran- 2- yl)methylidene]amino}- 5- phenyl- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Cc1ccc(o1)/C=N/n1c(=S)[nH]nc1c1ccccc1

STK584471
Synonyms: (2Z)- 1- [4- (4- chloro- 3,5- dimethyl- 1H- pyrazol- 1- yl)phenyl]- 2- (6,7- dimethoxy- 3,4- dihydroisoquinolin- 1(2H)- ylidene)ethanone
Smiles: COc1cc2/C(=C/C(=O)c3ccc(cc3)n3nc(c(c3C)Cl)C)/NCCc2cc1OC

STK584472
Synonyms: N,N- dimethyl- N'- [4- (2- methylpropyl)- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 7- yl]propane- 1,3- diamine
Smiles: CC(Cc1nc2oc3c(c2c2c1CCC2)ncnc3NCCCN(C)C)C

STK584473
Synonyms: N- [3- (2- oxopyrrolidin- 1- yl)propyl]- 2- [(3,4,8- trimethyl- 2- oxo- 2H- chromen- 7- yl)oxy]propanamide
Smiles: O=C(C(Oc1ccc2c(c1C)oc(=O)c(c2C)C)C)NCCCN1CCCC1=O

STK584474
Synonyms: 4- ({3- [(5Z)- 5- (furan- 2- ylmethylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]propanoyl}amino)- 2- hydroxybenzoicacid
Smiles: O=C(Nc1ccc(c(c1)O)C(=O)O)CCN1C(=S)S/C(=C\c2ccco2)/C1=O

STK584475
Synonyms: 3- [(4- bromobenzyl)sulfanyl]- 5- (2- fluorophenyl)- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazole
Smiles: COc1ccc(cc1)n1c(SCc2ccc(cc2)Br)nnc1c1ccccc1F

STK584476
Synonyms: 2'- hydroxy- 1'- methyl- 3- nitro- 6a,7,8,9,10,11- hexahydro- 4'H,5H- spiro[azepino[1,2- a]quinoline- 6,5'- pyrimidine]- 4',6'(1'H)- dione
Smiles: OC1=NC(=O)C2(C(=O)N1C)Cc1cc(ccc1N1C2CCCCC1)[N+](=O)[O-]

STK584477
Synonyms: 5- (3- ethoxyphenyl)- 4- {[(E)- phenylmethylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccccc1

STK584478
Synonyms: N- [4- (butan- 2- yl)phenyl]- 2- {[5- (3- chlorophenyl)- 4- ethyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCC(c1ccc(cc1)NC(=O)CSc1nnc(n1CC)c1cccc(c1)Cl)C

STK584479
Synonyms: 1- (2- chlorophenyl)- 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}ethanone
Smiles: Clc1cccc(c1)c1nnc(n1C)SCC(=O)c1ccccc1Cl

STK584480
Synonyms: 7- (2- chlorobenzyl)- 1,3- dimethyl- 8- [(2- methylpiperidin- 1- yl)methyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CC1CCCCN1Cc1nc2c(n1Cc1ccccc1Cl)c(=O)n(c(=O)n2C)C

STK584481
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,3- dimethylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1C)C)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccn1

STK584482
Synonyms: (2- bromophenyl)(7- methylidene- 3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinolin- 8(7H)- yl)methanone
Smiles: C=C1c2cc3OCCCOc3cc2CCN1C(=O)c1ccccc1Br

STK584483
Synonyms: propan- 2- yl[(2,4- dimethoxyphenyl)(hydroxy)methyl][4- (dimethylamino)phenyl]phosphinate
Smiles: COc1ccc(c(c1)OC)C(P(=O)(c1ccc(cc1)N(C)C)OC(C)C)O

STK584484
Synonyms: N- (1- benzylpiperidin- 4- yl)- 4- methoxy- 1H- indole- 2- carboxamide
Smiles: COc1cccc2c1cc([nH]2)C(=O)NC1CCN(CC1)Cc1ccccc1

STK584486
Synonyms: [4- (azepan- 1- ylsulfonyl)phenyl](5- methylidene- 7,8- dihydro[1,3]dioxolo[4,5- g]isoquinolin- 6(5H)- yl)methanone
Smiles: O=C(N1CCc2c(C1=C)cc1c(c2)OCO1)c1ccc(cc1)S(=O)(=O)N1CCCCCC1

STK584487
Synonyms: 4- {[(E)- (3- bromophenyl)methylidene]amino}- 5- (3- methylphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Brc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1cccc(c1)C

STK584489
Synonyms: 8- amino- 2',6'- dihydroxy- 3- phenyl- 2,3,4,4a- tetrahydro- 1H,4'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidin]- 4'- one
Smiles: OC1=NC(=O)C2(C(=N1)O)Cc1cc(N)ccc1N1C2CN(CC1)c1ccccc1

STK584491
Synonyms: 3- heptyl- 5- pentyl- 3H- pyrrolo[2',3':4,5]pyrimido[1,6- a]benzimidazol- 1- ylhexanoate
Smiles: CCCCCCCn1cc(c2c1nc(CCCCC)n1c2nc2c1cccc2)OC(=O)CCCCC

STK584492
Synonyms: 1'- [2- (3,4- dimethoxyphenyl)ethyl]- 2'- hydroxy- 13- methyl- 1,2,3,4,5,5a- hexahydro- 4'H,7H,8H- spiro[pyrido[1'',2'':1',2']pyrimido[5',4':5,6]pyrido[1,2- a]azepine- 6,5'- pyrimidine]- 4',6',8(1'H)- trione
Smiles: COc1ccc(cc1OC)CCN1C(=NC(=O)C2(C1=O)Cc1c(N3C2CCCCC3)nc2n(c1=O)cccc2C)O

STK584494
Synonyms: N'- [(3E)- 1- (4,5- dimethoxy- 3- oxo- 1,3- dihydro- 2- benzofuran- 1- yl)- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]furan- 2- carbohydrazide
Smiles: COc1c(OC)ccc2c1C(=O)OC2N1c2ccccc2/C(=N\NC(=O)c2ccco2)/C1=O

STK584495
Synonyms: 11- (furan- 2- yl)- 2- [(4- methoxyphenoxy)methyl]- 10- methyl- 8- phenyl- 8,11- dihydropyrazolo[4',3':5,6]pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: COc1ccc(cc1)OCc1nn2c(n1)c1c(nc2)Oc2c(C1c1ccco1)c(C)nn2c1ccccc1

STK584497
Synonyms: 7- (4- fluorobenzyl)- 8- {[4- (4- fluorophenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Fc1ccc(cc1)Cn1c(CN2CCN(CC2)c2ccc(cc2)F)nc2c1c(=O)n(c(=O)n2C)C

STK584498
Synonyms: 6- hydroxy- 8- [(3- hydroxypropyl)amino]- 7- [2- (4- methoxyphenyl)ethyl]- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: OCCCNc1nc2c(n1CCc1ccc(cc1)OC)c(O)nc(=O)n2C

STK584499
Synonyms: N- (3- butoxypropyl)- 8- ethoxy- 5H- pyrimido[5,4- b]indol- 4- amine
Smiles: CCCCOCCCNc1ncnc2c1[nH]c1c2cc(cc1)OCC

STK584500
Synonyms: pentyl{[7,7- dimethyl- 2- (4- methylphenyl)- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl]sulfanyl}acetate
Smiles: CCCCCOC(=O)CSc1nc(nc2c1COC(C2)(C)C)c1ccc(cc1)C

STK584501
Synonyms: 5- (4- methoxyphenyl)- 4- ({(E)- [4- (pentyloxy)phenyl]methylidene}amino)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCCCCOc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccc(cc1)OC

STK584502
Synonyms: N- [(2E)- 6- chloro- 1,3- benzothiazol- 2(3H)- ylidene]- 5- (2- hydroxy- 5- methylphenyl)- 1H- pyrazole- 3- carboxamide
Smiles: Clc1ccc2c(c1)s/c(=N/C(=O)c1n[nH]c(c1)c1cc(C)ccc1O)/[nH]2

STK584503
Synonyms: N'- [(Z)- (1- butyl- 2- hydroxy- 4,6- dioxo- 1,6- dihydropyrimidin- 5(4H)- ylidene)methyl]heptanehydrazide
Smiles: CCCCCCC(=O)NN/C=C\1/C(=O)N=C(N(C1=O)CCCC)O

STK584504
Synonyms: 10- (3- hydroxy- 4- methoxyphenyl)- 5- (4- methoxyphenyl)- 1,3,7,7- tetramethyl- 1,7,8,10- tetrahydro- 2H- pyrimido[4',5':3,4]pyrrolo[2,1- c][1,4]oxazine- 2,4(3H)- dione
Smiles: COc1ccc(cc1)c1c2c(=O)n(C)c(=O)n(c2c2n1C(C)(C)COC2c1ccc(c(c1)O)OC)C

STK584505
Synonyms: (5E)- 5- {[1- (4- bromonaphthalen- 1- yl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]methylidene}- 3- (furan- 2- ylmethyl)- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: O=C1N=C(O)/C(=C\c2cc(n(c2C)c2ccc(c3c2cccc3)Br)C)/C(=O)N1Cc1ccco1

STK584506
Synonyms: 2- [7- (2- chlorophenyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]phenol
Smiles: Clc1ccccc1n1ncc2c1ncn1c2nnc1c1ccccc1O

STK584508
Synonyms: 2,2- dimethyl- 5- (2- methylpropyl)- N- (pyridin- 2- ylmethyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2- d]pyrimidin- 8- amine
Smiles: CC(Cc1nc2oc3c(c2c2c1COC(C2)(C)C)ncnc3NCc1ccccn1)C

STK584509
Synonyms: 4- {[(E)- (2- chloro- 6- fluorophenyl)methylidene]amino}- 5- (phenoxymethyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Fc1cccc(c1/C=N/n1c(COc2ccccc2)n[nH]c1=S)Cl

STK584511
Synonyms: 2- ({5- [(4- chlorophenoxy)methyl]- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (3- fluorophenyl)acetamide
Smiles: C=CCn1c(SCC(=O)Nc2cccc(c2)F)nnc1COc1ccc(cc1)Cl

STK584513
Synonyms: N- (3,4- difluorophenyl)- 2- {[4- (furan- 2- ylmethyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)F)F)CSc1nnc(n1Cc1ccco1)Cc1cccs1

STK584515
Synonyms: 1- (3- methoxypropyl)- 9- methyl- N- (4- methylbenzyl)- 4- oxo- 1,4- dihydropyrido[1,2- a]pyrrolo[2,3- d]pyrimidine- 2- carboxamide
Smiles: COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)NCc1ccc(cc1)C

STK584519
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [2- (propan- 2- yl)phenyl]acetamide
Smiles: O=C(Nc1ccccc1C(C)C)CSc1nnc(n1C)c1cccc(c1)Cl

STK584520
Synonyms: 9- (3,4- dimethoxyphenyl)- 2- methyl- 6- (4- methylphenyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: COc1ccc(cc1OC)C1C2=C(O)CC(CC2=Nc2n1nc(n2)C)c1ccc(cc1)C

STK584521
Synonyms: 4- ({(2'S,3S,3'S,10b'R)- 2'- [(3- methoxyphenyl)carbonyl]- 2- oxo- 1,2,2',3'- tetrahydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 3'- yl}carbonyl)phenylacetate
Smiles: COc1cccc(c1)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(cc2)OC(=O)C)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK584522
Synonyms: (4E)- 5- (2,4- dichlorophenyl)- 1- (furan- 2- ylmethyl)- 4- [hydroxy(3- nitrophenyl)methylidene]pyrrolidine- 2,3- dione
Smiles: Clc1ccc(c(c1)Cl)C1/C(=C(/c2cccc(c2)[N+](=O)[O-])\O)/C(=O)C(=O)N1Cc1ccco1

STK584523
Synonyms: 2- [3- (10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl)- 1H- indol- 1- yl]acetamide
Smiles: NC(=O)Cn1cc(c2c1cccc2)c1nn2c(n1)c1c(nc2)sc2c1CC(C)(C)OC2

STK584524
Synonyms: 1- (3- fluorophenyl)- 2- (prop- 2- en- 1- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: C=CCN1C(=O)c2c(C1c1cccc(c1)F)c(=O)c1c(o2)cccc1

STK584526
Synonyms: 2- (1,3- benzodioxol- 5- yl)- 5- phenyl- 2,3- dihydrothieno[2,3- d]pyrimidin- 4(1H)- one
Smiles: O=C1NC(Nc2c1c(cs2)c1ccccc1)c1ccc2c(c1)OCO2

STK584527
Synonyms: (4E)- 1- [5- (benzylsulfanyl)- 1,3,4- thiadiazol- 2- yl]- 4- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 5- (3- ethoxyphenyl)pyrrolidine- 2,3- dione
Smiles: CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccccc2)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

STK584529
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3- fluorophenyl)acetamide
Smiles: O=C(Nc1cccc(c1)F)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccn1

STK584532
Synonyms: N- {[2- (cyclohex- 1- en- 1- yl)ethyl]carbamoyl}- L- methionine
Smiles: CSCC[C@@H](C(=O)O)NC(=O)NCCC1=CCCCC1

STK584533
Synonyms: 2- (2- methoxyethyl)- 1- (4- nitrophenyl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COCCN1C(=O)c2c(C1c1ccc(cc1)[N+](=O)[O-])c(=O)c1c(o2)cccc1

STK584534
Synonyms: (4Z)- 4- [(4- ethoxyphenyl)imino]- 6- {[4- (2- fluorophenyl)piperazin- 1- yl]methyl}- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: CCOc1ccc(cc1)/N=c/1\nc(N)nc([nH]1)CN1CCN(CC1)c1ccccc1F

STK584535
Synonyms: N- (3- bromophenyl)- 3- (4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)propanamide
Smiles: O=C(Nc1cccc(c1)Br)CCn1nnc2c(c1=O)cccc2

STK584536
Synonyms: 1- (3- chlorophenyl)- 4- (4- hydroxy- 3- methoxyphenyl)- 4,7- dihydrofuro[3,4- b]pyridine- 2,5(1H,3H)- dione
Smiles: COc1cc(ccc1O)C1CC(=O)N(C2=C1C(=O)OC2)c1cccc(c1)Cl

STK584539
Synonyms: 1- (4- chlorophenyl)- 4- (4- hydroxyphenyl)- 4,7- dihydrofuro[3,4- b]pyridine- 2,5(1H,3H)- dione
Smiles: Oc1ccc(cc1)C1CC(=O)N(C2=C1C(=O)OC2)c1ccc(cc1)Cl

STK584541
Synonyms: N- (2- tert- butylphenyl)- 2- {[4- methyl- 5- (3- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1C(C)(C)C)CSc1nnc(n1C)c1cccc(c1)C

STK584542
Synonyms: 2',6'- dihydroxy- 8- nitro- 3- phenyl- 2,3,4,4a- tetrahydro- 1H,4'H,6H- spiro[pyrazino[1,2- a]quinoline- 5,5'- pyrimidin]- 4'- one
Smiles: OC1=NC(=O)C2(C(=N1)O)Cc1cc(ccc1N1C2CN(CC1)c1ccccc1)[N+](=O)[O-]

STK584546
Synonyms: 5- (4- fluorophenyl)- 4- {[(E)- (4- methylphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Cc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccc(cc1)F

STK584547
Synonyms: 1- (4- methylphenyl)- 2- {[4- phenyl- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}ethanone
Smiles: Cc1ccc(cc1)C(=O)CSc1nnc(n1c1ccccc1)c1ccccn1

STK584552
Synonyms: 2- {[4- (4- methoxyphenyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2- methylphenyl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2C)nnc1Cc1cccs1

STK584553
Synonyms: tert- butyl(3S)- 3- ({(2S)- 3- methyl- 1- oxo- 1- [(1- phenylethyl)amino]butan- 2- yl}carbamoyl)- 3,4- dihydroisoquinoline- 2(1H)- carboxylate
Smiles: CC([C@@H](C(=O)NC(c1ccccc1)C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C

STK584554
Synonyms: (5E)- 2,6- dihydroxy- 5- {[1- (3- nitrophenyl)- 1H- pyrrol- 2- yl]methylidene}pyrimidin- 4(5H)- one
Smiles: OC1=NC(=O)/C(=C/c2cccn2c2cccc(c2)[N+](=O)[O-])/C(=N1)O

STK584559
Synonyms: N- [1- (4- methoxybenzyl)- 6,6- dimethyl- 2,4- dioxo- 3- (trifluoromethyl)- 2,3,4,5,6,7- hexahydro- 1H- indol- 3- yl]acetamide
Smiles: COc1ccc(cc1)CN1C2=C(C(C1=O)(NC(=O)C)C(F)(F)F)C(=O)CC(C2)(C)C

STK584560
Synonyms: 4- hydroxy- 1- methyl- 8- (4- methylbenzyl)- 7,8- dihydro- 1H- imidazo[2,1- f]purin- 2(6H)- one
Smiles: Cc1ccc(cc1)CN1CCn2c1nc1c2c(O)nc(=O)n1C

STK584561
Synonyms: (5E)- 5- {[5- (4- fluorophenyl)furan- 2- yl]methylidene}- 2- hydroxy- 3- phenyl- 3,5- dihydro- 4H- imidazol- 4- one
Smiles: Fc1ccc(cc1)c1ccc(o1)/C=C\1/N=C(N(C1=O)c1ccccc1)O

STK584562
Synonyms: 1,6- bis[(4- fluorophenyl)amino]- 1,6- dioxohexane- 2,3,4,5- tetrayltetraacetate(non- preferredname)
Smiles: CC(=O)OC(C(C(=O)Nc1ccc(cc1)F)OC(=O)C)C(C(C(=O)Nc1ccc(cc1)F)OC(=O)C)OC(=O)C

STK584564
Synonyms: (5Z)- 6- hydroxy- 3- (2- methylphenyl)- 5- {1- [(2- phenylethyl)amino]propylidene}pyrimidine- 2,4(3H,5H)- dione
Smiles: CC/C(=C/1\C(=NC(=O)N(C1=O)c1ccccc1C)O)/NCCc1ccccc1

STK584566
Synonyms: 2- fluoro- N- (2- methoxyethyl)- N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]benzamide
Smiles: COCCN(C(=O)c1ccccc1F)Cc1cc2cc(C)ccc2[nH]c1=O

STK584568
Synonyms: 3- (4- methoxybenzyl)- 2- methyl- 4H- chromeno[2,3- d]pyrimidine- 4,5(3H)- dione
Smiles: COc1ccc(cc1)Cn1c(C)nc2c(c1=O)c(=O)c1c(o2)cccc1

STK584569
Synonyms: 5- (3,5- dimethylphenyl)- 3- (2- hydroxyphenyl)- 4,6- dioxooctahydropyrrolo[3,4- c]pyrrole- 1- carboxylicacid
Smiles: OC(=O)C1NC(C2C1C(=O)N(C2=O)c1cc(C)cc(c1)C)c1ccccc1O

STK584570
Synonyms: 9- (3- hydroxyphenyl)- 6- (4- methoxyphenyl)- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: COc1ccc(cc1)C1CC(=C2C(=Nc3n(C2c2cccc(c2)O)ncn3)C1)O

STK584571
Synonyms: (E)- 1- (4- methylphenyl)- N- [(9- methyl- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl)methoxy]methanimine
Smiles: CN1CCc2c(C1)sc1c2c2nc(nn2cn1)CO/N=C/c1ccc(cc1)C

STK584573
Synonyms: ethyl5- hydroxy- 1- (4- methoxyphenyl)- 2- propyl- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c2cc(O)ccc2n(c1CCC)c1ccc(cc1)OC

STK584574
Synonyms: N- (2- bromo- 4- methylphenyl)- 2- {[4- (4- methoxyphenyl)- 5- (3- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2Br)C)nnc1c1cccc(c1)C

STK584576
Synonyms: 2- (2- chlorophenyl)- N- [(2Z)- 5,5- dioxido- 3- (2- phenylethyl)tetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- ylidene]acetamide
Smiles: O=C(Cc1ccccc1Cl)/N=C/1\SC2C(N1CCc1ccccc1)CS(=O)(=O)C2

STK584578
Synonyms: 2- (furan- 2- yl)- 7- (4- methylphenyl)- 7H- pyrazolo[4,3- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Cc1ccc(cc1)n1ncc2c1ncn1c2nc(n1)c1ccco1

STK584580
Synonyms: (3S,3a'R,8a'S,8b'S)- 2'- (5- chloro- 2- methoxyphenyl)- 7- ethyl- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: CCc1cccc2c1NC(=O)[C@]12N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cc(Cl)ccc1OC

STK584581
Synonyms: 1'- butyl- 9- methyl- 2,3,4,4a- tetrahydro- 1H,2'H,6H- spiro[benzo[g]pyrido[1,2- a][1,8]naphthyridine- 5,5'- pyrimidine]- 2',4',6'(1'H,3'H)- trione
Smiles: CCCCN1C(=O)NC(=O)C2(C1=O)Cc1cc3cc(C)ccc3nc1N1C2CCCC1

STK584583
Synonyms: N- (4- chlorophenyl)- 2- {[5- (3- chlorophenyl)- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl

STK584584
Synonyms: 4- (4- chlorophenyl)- N- (4- methoxyphenyl)- 1- (4- methylphenyl)- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: COc1ccc(cc1)NC(=O)c1c(c2ccc(cc2)C)c2c3n1cc(n3CCCC2)c1ccc(cc1)Cl

STK584586
Synonyms: 7- (4- chlorobenzyl)- 8- {[4- (4- methoxyphenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: COc1ccc(cc1)N1CCN(CC1)Cc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C

STK584588
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [2- (propan- 2- yl)phenyl]acetamide
Smiles: Clc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2C(C)C)nnc1c1ccccn1

STK584589
Synonyms: 3- (2- methoxyphenyl)- N- (3- methylphenyl)- 3- [4- (propan- 2- yloxy)phenyl]propanamide
Smiles: COc1ccccc1C(c1ccc(cc1)OC(C)C)CC(=O)Nc1cccc(c1)C

STK584590
Synonyms: N- (3- methoxypropyl)- 10- methyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine- 2- carboxamide
Smiles: COCCCNC(=O)c1nn2c(n1)c1c(nc2)sc2c1CC(C)CC2

STK584592
Synonyms: N- (2- methoxy- 5- methylphenyl)- 2- {[4- (4- methylphenyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nnc(n1c1ccc(cc1)C)Cc1cccs1)C

STK584593
Synonyms: 5,7- dichloro- 1- (3,4- dimethoxyphenyl)- 2- (5- methyl- 1,2- oxazol- 3- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc(cc1OC)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)c(Cl)cc(c1)Cl

STK584594
Synonyms: 1- [2- (2- hydroxyphenyl)- 8- methyl- 10- phenyl- 10H- pyrano[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 9- yl]ethanone
Smiles: Oc1ccccc1c1nn2c(n1)c1c(nc2)OC(=C(C1c1ccccc1)C(=O)C)C

STK584595
Synonyms: (1S,2S)- N'- [(E)- (7- chloro- 2,3- dihydro[1,4]dioxino[2,3- g]quinolin- 8- yl)methylidene]- 2- phenylcyclopropanecarbohydrazide
Smiles: O=C([C@H]1C[C@@H]1c1ccccc1)N/N=C/c1cc2cc3OCCOc3cc2nc1Cl

STK584596
Synonyms: 6- hydroxy- 1'- methyl- 6'- nitro- 2'- phenyl- 3- (propan- 2- yl)- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4(3H)- dione
Smiles: CC(N1C(=O)N=C(C2(C1=O)Cc1cc(ccc1N(C2c1ccccc1)C)[N+](=O)[O-])O)C

STK584598
Synonyms: N- {(1Z)- 1- [1- cyano- 2- oxo- 2- (phenylamino)ethylidene]- 1H- isoindol- 3- yl}- 3,4- dimethoxybenzamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccc(c(c1)OC)OC)/C(=O)Nc1ccccc1

STK584602
Synonyms: N- [5- hydroxy- 2- (2- methylphenyl)[1,2,4]triazolo[1,5- a]pyrimidin- 7- yl]- 2- nitrobenzamide
Smiles: Oc1cc(NC(=O)c2ccccc2[N+](=O)[O-])n2c(n1)nc(n2)c1ccccc1C

STK584603
Synonyms: methyl4- {(3E)- 3- [furan- 2- yl(hydroxy)methylidene]- 1- [2- (2- hydroxyethoxy)ethyl]- 4,5- dioxopyrrolidin- 2- yl}benzoate
Smiles: OCCOCCN1C(=O)C(=O)/C(=C(\c2ccco2)/O)/C1c1ccc(cc1)C(=O)OC

STK584604
Synonyms: N- {(2S)- 1- [(3,4- dimethoxyphenyl)amino]- 3- methyl- 1- oxobutan- 2- yl}- 1- [(4- methylphenyl)sulfonyl]piperidine- 4- carboxamide
Smiles: COc1cc(ccc1OC)NC(=O)[C@H](C(C)C)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C

STK584605
Synonyms: N- (2- methoxyethyl)- N- [(6- methyl- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]furan- 2- carboxamide
Smiles: COCCN(C(=O)c1ccco1)Cc1cc2cc(C)ccc2[nH]c1=O

STK584607
Synonyms: 5- cycloheptyl- N- [(2E)- 4,7- dimethylquinazolin- 2(1H)- ylidene]- 1,4,5,6- tetrahydro- 1,3,5- triazin- 2- amine
Smiles: Cc1ccc2c(c1)[nH]/c(=N\C1=NCN(CN1)C1CCCCCC1)/nc2C

STK584610
Synonyms: methyl4- [7- chloro- 6- methyl- 2- (5- methyl- 1,2- oxazol- 3- yl)- 3,9- dioxo- 1,2,3,9- tetrahydrochromeno[2,3- c]pyrrol- 1- yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1N(c2noc(c2)C)C(=O)c2c1c(=O)c1c(o2)cc(c(c1)Cl)C

STK584611
Synonyms: N- propyl- 3,4,9,10- tetrahydro- 2H- [1,4]dioxepino[2,3- g]isoquinoline- 8(7H)- carbothioamide
Smiles: CCCNC(=S)N1CCc2c(C1)cc1c(c2)OCCCO1

STK584612
Synonyms: 2- {4- [7- (2- fluorobenzyl)- 6- hydroxy- 3- methyl- 2- oxo- 3,7- dihydro- 2H- purin- 8- yl]piperazin- 1- yl}acetamide
Smiles: NC(=O)CN1CCN(CC1)c1nc2c(n1Cc1ccccc1F)c(O)nc(=O)n2C

STK584613
Synonyms: 3- (2,5- dimethylbenzyl)- 9- (4- fluorophenyl)- 1- methyl- 6,7,8,9- tetrahydropyrimido[2,1- f]purine- 2,4(1H,3H)- dione
Smiles: Fc1ccc(cc1)N1CCCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1cc(C)ccc1C

STK584615
Synonyms: 1'- (2,2- dimethoxyethyl)- 3- (2,3- dimethylphenyl)- 6- hydroxy- 6'- nitro- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4(3H)- dione
Smiles: COC(CN1CC2(Cc3c1ccc(c3)[N+](=O)[O-])C(=NC(=O)N(C2=O)c1cccc(c1C)C)O)OC

STK584618
Synonyms: 8- chloro- 4- oxo- 1,2,3,4- tetrahydrocyclopenta[c]chromen- 7- ylN- [(benzyloxy)carbonyl]norleucinate
Smiles: CCCCC(C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)NC(=O)OCc1ccccc1

STK584619
Synonyms: 5- (2- bromophenyl)- 4- ({(E)- [4- (diethylamino)- 2- hydroxyphenyl]methylidene}amino)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCN(c1ccc(c(c1)O)/C=N/n1c(=S)[nH]nc1c1ccccc1Br)CC

STK584624
Synonyms: 1,3- bis(4- methylphenyl)- 1',2',3',3a'- tetrahydro- 2H,5'H- spiro[pyrimidine- 5,4'- pyrrolo[1,2- a]quinoline]- 2,4,6(1H,3H)- trione
Smiles: Cc1ccc(cc1)N1C(=O)N(c2ccc(cc2)C)C(=O)C2(C1=O)Cc1ccccc1N1C2CCC1

STK584625
Synonyms: 3- (2- bromophenoxy)- 8- (morpholin- 4- ium- 4- ylmethyl)- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- olate
Smiles: [O-]c1ccc2c(c1C[NH+]1CCOCC1)oc(c(c2=O)Oc1ccccc1Br)C(F)(F)F

STK584626
Synonyms: N- (2- tert- butylphenyl)- 2- {[5- (2- methylphenyl)- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1c1ccccc1C

STK584628
Synonyms: (4E)- 5- (4- fluorophenyl)- 4- [hydroxy(2- methyl- 2,3- dihydro- 1- benzofuran- 5- yl)methylidene]- 1- (5- methyl- 1,3,4- thiadiazol- 2- yl)pyrrolidine- 2,3- dione
Smiles: CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)F)c1nnc(s1)C)/O

STK584629
Synonyms: (4Z)- 4- [(3- chloro- 4- methylphenyl)imino]- 6- {[4- (4- methoxyphenyl)piperazin- 1- yl]methyl}- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: COc1ccc(cc1)N1CCN(CC1)Cc1nc(N)n/c(=N\c2ccc(c(c2)Cl)C)/[nH]1

STK584632
Synonyms: N- [(5- chloro- 2,1,3- benzothiadiazol- 4- yl)carbamothioyl]- 2- methylpropanamide
Smiles: CC(C(=O)NC(=S)Nc1c(Cl)ccc2c1nsn2)C

STK584633
Synonyms: methylN- [(4- methoxyphenyl)carbamoyl]- D- alaninate
Smiles: COC(=O)[C@H](NC(=O)Nc1ccc(cc1)OC)C

STK584634
Synonyms: 6- (2- hydroxyphenyl)- 9- [4- (methylsulfanyl)phenyl]- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: CSc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2n1ncn2)c1ccccc1O

STK584635
Synonyms: (4E)- 4- {[(1,1- dioxidotetrahydrothiophen- 3- yl)amino]methylidene}- 2- (2- nitrophenyl)isoquinoline- 1,3(2H,4H)- dione
Smiles: O=C1/C(=C/NC2CCS(=O)(=O)C2)/c2ccccc2C(=O)N1c1ccccc1[N+](=O)[O-]

STK584638
Synonyms: 8- {[4- (4- methoxyphenyl)piperazin- 1- yl]methyl}- 1,3- dimethyl- 7- (2- oxo- 2- phenylethyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: COc1ccc(cc1)N1CCN(CC1)Cc1nc2c(n1CC(=O)c1ccccc1)c(=O)n(c(=O)n2C)C

STK584639
Synonyms: 2- chloro- 6- oxo- 7,8,9,10- tetrahydro- 6H- benzo[c]chromen- 3- ylN- (tert- butoxycarbonyl)- D- methioninate
Smiles: CSCC[C@H](C(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)NC(=O)OC(C)(C)C

STK584641
Synonyms: 2- amino- 1- (3- butoxyphenyl)- N- (6- methylheptan- 2- yl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: CCCCOc1cccc(c1)n1c2nc3ccccc3nc2c(c1N)C(=O)NC(CCCC(C)C)C

STK584643
Synonyms: 7- [(4- methoxybenzyl)sulfanyl]- 2- methyl- 10,11,12,13- tetrahydro[1]benzothieno[3,2- e]bis[1,2,4]triazolo[4,3- a:1',5'- c]pyrimidine
Smiles: COc1ccc(cc1)CSc1nnc2n1c1sc3c(c1c1n2nc(n1)C)CCCC3

STK584644
Synonyms: (E)- N- [(10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl)methoxy]- 1- (4- methylphenyl)methanimine
Smiles: Cc1ccc(cc1)/C=N/OCc1nn2c(n1)c1c(nc2)sc2c1CC(C)(C)OC2

STK584645
Synonyms: N- [(2E)- 6- methoxy- 1,3- benzothiazol- 2(3H)- ylidene]- 2- (2- methoxyphenyl)acetamide
Smiles: COc1ccc2c(c1)s/c(=N/C(=O)Cc1ccccc1OC)/[nH]2

STK584646
Synonyms: N- [(1Z)- 1- {1- cyano- 2- oxo- 2- [(2- phenylethyl)amino]ethylidene}- 1H- isoindol- 3- yl]benzamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccccc1)/C(=O)NCCc1ccccc1

STK584649
Synonyms: (2R)- N- (furan- 3- ylmethyl)- 2- (2- hydroxy- 4- oxoquinazolin- 3(4H)- yl)- 3- phenylpropanamide
Smiles: O=C([C@H](n1c(O)nc2c(c1=O)cccc2)Cc1ccccc1)NCc1cocc1

STK584650
Synonyms: N- (3- chloro- 4- fluorophenyl)- 2- (3- methoxypropyl)- 1,3- dioxo- 2,3- dihydro- 1H- isoindole- 5- carboxamide
Smiles: COCCCN1C(=O)c2c(C1=O)cc(cc2)C(=O)Nc1ccc(c(c1)Cl)F

STK584652
Synonyms: (8E)- 8- [(2E)- (3,4- dihydroxybenzylidene)hydrazinylidene]- 1,3,7- trimethyl- 3,7,8,9- tetrahydro- 1H- purine- 2,6- dione
Smiles: Oc1ccc(cc1O)/C=N/N=c/1\[nH]c2c(n1C)c(=O)n(c(=O)n2C)C

STK584654
Synonyms: (5Z)- 5- (2- chlorobenzylidene)- 3- {2- oxo- 2- [2- (pyridin- 3- yl)piperidin- 1- yl]ethyl}- 1,3- thiazolidine- 2,4- dione
Smiles: O=C(N1CCCCC1c1cccnc1)CN1C(=O)S/C(=C\c2ccccc2Cl)/C1=O

STK584655
Synonyms: methyl4- (2- amino- 3- cyano- 5- hydroxy- 7- methyl- 4H- pyrano[3,2- c]pyridin- 4- yl)benzoate
Smiles: COC(=O)c1ccc(cc1)C1C(=C(N)Oc2c1c(O)nc(c2)C)C#N

STK584656
Synonyms: 4- {[(E)- (4- ethoxy- 3- methoxyphenyl)methylidene]amino}- 5- (4- ethoxyphenyl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(c(c1)OC)OCC

STK584657
Synonyms: 2- amino- 6- hydroxy- 5- (4- methoxyphenyl)- 3,5- dihydro- 4H- indeno[2',1':5,6]pyrido[2,3- d]pyrimidin- 4- one
Smiles: COc1ccc(cc1)C1C2=C(O)c3c(C2=Nc2c1c(=O)[nH]c(n2)N)cccc3

STK584658
Synonyms: 6- hydroxy- 7- [2- hydroxy- 3- (4- methylphenoxy)propyl]- 8- {[3- (1H- imidazol- 1- yl)propyl]amino}- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: OC(Cn1c(NCCCn2cncc2)nc2c1c(O)nc(=O)n2C)COc1ccc(cc1)C

STK584659
Synonyms: 2- (3,4- dimethoxyphenyl)- 5- (methylamino)- 1,3- oxazole- 4- carbonitrile
Smiles: COc1cc(ccc1OC)c1oc(c(n1)C#N)NC

STK584662
Synonyms: (2'S,3S,3'S,10b'R)- 2'- (furan- 2- ylcarbonyl)- 3'- [(4- methylphenyl)carbonyl]- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: Cc1ccc(cc1)C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccco1)C(=O)Nc1c2cccc1)cccc3

STK584663
Synonyms: N- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 1- ethyl- 5- methoxy- 2- methyl- 1H- indole- 3- carboxamide
Smiles: COc1ccc2c(c1)c(C(=O)Nc1ccc3c(c1)OCCO3)c(n2CC)C

STK584664
Synonyms: 4- ethyl- 7- methyl- 2- oxo- 2H- chromen- 5- ylN- [(4- methylphenyl)sulfonyl]- L- valinate
Smiles: CCc1cc(=O)oc2c1c(OC(=O)[C@H](C(C)C)NS(=O)(=O)c1ccc(cc1)C)cc(c2)C

STK584665
Synonyms: 2- {[4- amino- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [3,5- bis(trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)CSc1nnc(n1N)c1n[nH]c(c1)c1ccccc1

STK584666
Synonyms: 2- {[5- (3- chlorophenyl)- 4- (furan- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (4- methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl

STK584668
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(1E)- 1- (2- chlorophenyl)ethylidene]- 5- {[methyl(phenyl)amino]methyl}- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Nc1nonc1n1nnc(c1CN(c1ccccc1)C)C(=O)N/N=C(/c1ccccc1Cl)\C

STK584669
Synonyms: (E)- {1- [2- (dimethylammonio)ethyl]- 4,5- dioxo- 2- (thiophen- 2- yl)pyrrolidin- 3- ylidene}[3- fluoro- 4- (propan- 2- yloxy)phenyl]methanolate
Smiles: C[NH+](CCN1C(c2cccs2)/C(=C(/c2ccc(c(c2)F)OC(C)C)\[O-])/C(=O)C1=O)C

STK584670
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (thiophen- 2- ylmethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3,4- dimethylphenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)C)C)CSc1nnc(n1c1ccc(cc1)Cl)Cc1cccs1

STK584671
Synonyms: 2- [(4- methyl- 2- oxo- 2H- chromen- 7- yl)oxy]- N- (pyridin- 4- ylmethyl)acetamide
Smiles: O=C(NCc1ccncc1)COc1ccc2c(c1)oc(=O)cc2C

STK584672
Synonyms: 8- [(2,5- dichlorophenyl)sulfonyl]- 3,4,7,8,9,10- hexahydro- 2H- [1,4]dioxepino[2,3- g]isoquinoline
Smiles: Clc1ccc(c(c1)S(=O)(=O)N1CCc2c(C1)cc1c(c2)OCCCO1)Cl

STK584675
Synonyms: N- (3- chlorophenyl)- 1- (4- ethoxyphenyl)- 4- phenyl- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: CCOc1ccc(cc1)c1c(C(=O)Nc2cccc(c2)Cl)n2c3c1CCCCn3c(c2)c1ccccc1

STK584676
Synonyms: (3S,3a'R,8a'S,8b'S)- 7- chloro- 2'- (3- chlorophenyl)- 5- methyl- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: Clc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cc(C)cc2Cl

STK584677
Synonyms: 8- {[4- (5- chloro- 2- methylphenyl)piperazin- 1- yl]methyl}- 7- (2- ethoxyethyl)- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CCOCCn1c(CN2CCN(CC2)c2cc(Cl)ccc2C)nc2c1c(=O)n(c(=O)n2C)C

STK584678
Synonyms: 3- (2- chloro- 7- methoxyquinolin- 3- yl)propanenitrile
Smiles: N#CCCc1cc2ccc(cc2nc1Cl)OC

STK584679
Synonyms: methylN- {[4- (trifluoromethoxy)phenyl]carbamoyl}- D- valinate
Smiles: COC(=O)[C@@H](C(C)C)NC(=O)Nc1ccc(cc1)OC(F)(F)F

STK584680
Synonyms: 9- (3- chlorophenyl)- 10- [ethyl(2- hydroxyethyl)amino]- 2,2,5- trimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8(9H)- one
Smiles: OCCN(c1nc2c3c(sc2c(=O)n1c1cccc(c1)Cl)nc(c1c3CC(C)(C)OC1)C)CC

STK584681
Synonyms: 2- phenyl- 4- [4- (trifluoromethyl)phenyl]- 4,6,7,8- tetrahydro- 2H- pyrazolo[3,4- b]quinoline- 3,5- diol
Smiles: OC1=C2C(=Nc3c(C2c2ccc(cc2)C(F)(F)F)c(O)n(n3)c2ccccc2)CCC1

STK584683
Synonyms: 2- {[6- cyano- 8,8- dimethyl- 5- (phenylamino)- 7,10- dihydro- 8H- pyrano[3,4- c][1,2,4]triazolo[4,3- a]pyridin- 3- yl]sulfanyl}- N- methyl- N- phenylacetamide
Smiles: N#Cc1c2CC(C)(C)OCc2c2n(c1Nc1ccccc1)c(SCC(=O)N(c1ccccc1)C)nn2

STK584684
Synonyms: 2- amino- 1- [3- (1H- imidazol- 1- yl)propyl]- N- (2- methoxyethyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: COCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)CCCn1cncc1

STK584688
Synonyms: 2- (5,9- dimethyl- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 2- yl)benzoicacid
Smiles: CC1CCc2c(C1)sc1c2c2nc(nn2c(n1)C)c1ccccc1C(=O)O

STK584690
Synonyms: N- (4- fluorophenyl)- 2- hydroxy- 5- oxo- 7- phenyl- 3,4,5,6,7,8- hexahydroquinoline- 4- carboxamide
Smiles: OC1=NC2=C(C(C1)C(=O)Nc1ccc(cc1)F)C(=O)CC(C2)c1ccccc1

STK584692
Synonyms: (1'S,3R,3'S,7a'S)- 1'- [(2,4- dichlorophenyl)carbonyl]- 7''- ethyl- 5',6',7',7a'- tetrahydro- 1'H- dispiro[indole- 3,2'- pyrrolizine- 3',3''- indole]- 2,2''(1H,1''H)- dione
Smiles: CCc1cccc2c1NC(=O)[C@@]12N2CCC[C@H]2[C@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccc(cc1Cl)Cl

STK584693
Synonyms: 8- ethoxy- N- (3- ethoxypropyl)- 5H- pyrimido[5,4- b]indol- 4- amine
Smiles: CCOCCCNc1ncnc2c1[nH]c1c2cc(cc1)OCC

STK584695
Synonyms: 3- chloro- N- [(2E)- 5- (2- methoxyphenyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]benzamide
Smiles: COc1ccccc1c1n[nH]/c(=N\C(=O)c2cccc(c2)Cl)/s1

STK584696
Synonyms: (3aR,4R,4aR,7aS,8R,8aR)- 6- (1,3- benzodioxol- 5- yl)- 3- (3,4- dimethoxyphenyl)- 4a,7a,8,8a- tetrahydro- 3aH- 4,8- methano[1,2]oxazolo[4,5- f]isoindole- 5,7(4H,6H)- dione
Smiles: COc1cc(ccc1OC)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2

STK584699
Synonyms: 4- [(4- oxoquinazolin- 3(4H)- yl)methyl]- N- [2- (trifluoromethyl)phenyl]cyclohexanecarboxamide
Smiles: O=C(C1CCC(CC1)Cn1cnc2c(c1=O)cccc2)Nc1ccccc1C(F)(F)F

STK584700
Synonyms: 10- (2- hydroxy- 3- methoxyphenyl)- 1,3- dimethyl- 5- phenyl- 1,7,8,10- tetrahydro- 2H- pyrimido[4',5':3,4]pyrrolo[2,1- c][1,4]oxazine- 2,4(3H)- dione
Smiles: COc1cccc(c1O)C1OCCn2c1c1n(C)c(=O)n(c(=O)c1c2c1ccccc1)C

STK584701
Synonyms: 2- chloro- N'- {(1E)- 1- [4- hydroxy- 1- (2- methylphenyl)- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]propyl}benzohydrazide
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccccc1C)O)/NNC(=O)c1ccccc1Cl

STK584702
Synonyms: (3E,3'E)- 3,3'- [hexane- 1,6- diylbis(4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl- 5- ylidene)]bis(1,3- dihydro- 2H- indol- 2- one)
Smiles: S=C1S/C(=C\2/C(=O)Nc3c2cccc3)/C(=O)N1CCCCCCN1C(=S)S/C(=C\2/C(=O)Nc3c2cccc3)/C1=O

STK584703
Synonyms: 2- {[4- (4- ethoxyphenyl)- 5- (phenoxymethyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (naphthalen- 1- yl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cccc3c2cccc3)nnc1COc1ccccc1

STK584704
Synonyms: 2- ({4- amino- 5- [5- (4- methylphenyl)- 1H- pyrazol- 3- yl]- 4H- 1,2,4- triazol- 3- yl}sulfanyl)- N- (2- chloro- 4,6- dimethylphenyl)acetamide
Smiles: Cc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCC(=O)Nc1c(C)cc(cc1Cl)C

STK584705
Synonyms: 1- benzyl- 6- chloro- 4- [2- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 2- oxoethyl]- 1,4- dihydroquinoxaline- 2,3- dione
Smiles: Clc1ccc2c(c1)n(CC(=O)c1ccc3c(c1)OCCO3)c(=O)c(=O)n2Cc1ccccc1

STK584707
Synonyms: 7- (2- ethoxyethyl)- 6- hydroxy- 3- methyl- 8- [(3- phenylpropyl)sulfanyl]- 3,7- dihydro- 2H- purin- 2- one
Smiles: CCOCCn1c(SCCCc2ccccc2)nc2c1c(O)nc(=O)n2C

STK584708
Synonyms: 8- (2,4- dimethoxyphenyl)- 1- methyl- 3- (prop- 2- en- 1- yl)- 7,8- dihydro- 1H- imidazo[2,1- f]purine- 2,4(3H,6H)- dione
Smiles: C=CCn1c(=O)n(C)c2c(c1=O)n1CCN(c1n2)c1ccc(cc1OC)OC

STK584710
Synonyms: N- (furan- 2- ylmethyl)- 5- propyl- 1,2,3,4- tetrahydropyrimido[4',5':4,5]furo[2,3- c]isoquinolin- 8- amine
Smiles: CCCc1nc2oc3c(c2c2c1CCCC2)ncnc3NCc1ccco1

STK584712
Synonyms: (3a'S,6a'R)- 5- fluoro- 5'- (3- methoxypropyl)- 3'- (2- methylpropyl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: COCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2CC(C)C)C(=O)Nc2c1cc(F)cc2

STK584714
Synonyms: N- {4- [(E)- (2- {[1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- (4- propoxyphenyl)- 1H- 1,2,3- triazol- 4- yl]carbonyl}hydrazinylidene)methyl]phenyl}acetamide
Smiles: CCCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1)NC(=O)C

STK584716
Synonyms: 3- benzyl- 1',3',9- trimethyl- 2,3,4,4a- tetrahydro- 1H,2'H,6H- spiro[benzo[g]pyrido[1,2- a][1,8]naphthyridine- 5,5'- pyrimidine]- 2',4',6'(1'H,3'H)- trione
Smiles: Cc1ccc2c(c1)cc1c(n2)N2CCC(CC2C2(C1)C(=O)N(C)C(=O)N(C2=O)C)Cc1ccccc1

STK584717
Synonyms: 2- hydroxy- N'- {(1E)- 1- [4- hydroxy- 1- (4- methoxyphenyl)- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]propyl}benzohydrazide
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)OC)O)/NNC(=O)c1ccccc1O

STK584719
Synonyms: (1'S,3R,3'S,7a'S)- 1'- [(4- chlorophenyl)carbonyl]- 6'',7''- dimethyl- 5',6',7',7a'- tetrahydro- 1'H- dispiro[indole- 3,2'- pyrrolizine- 3',3''- indole]- 2,2''(1H,1''H)- dione
Smiles: Clc1ccc(cc1)C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2ccc(c1C)C

STK584720
Synonyms: 8- nitro- 2- (2- phenylethyl)- 1,2,3,4- tetrahydropyrazino[1,2- a]benzimidazole
Smiles: [O-][N+](=O)c1ccc2c(c1)nc1n2CCN(C1)CCc1ccccc1

STK584722
Synonyms: 6- chloro- 3,4- dimethyl- 2- oxo- 2H- chromen- 7- ylN- (tert- butoxycarbonyl)glycinate
Smiles: O=C(Oc1cc2oc(=O)c(c(c2cc1Cl)C)C)CNC(=O)OC(C)(C)C

STK584723
Synonyms: 1- (3- ethoxyphenyl)- 2- (6- methoxy- 1,3- benzothiazol- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: CCOc1cccc(c1)C1N(c2nc3c(s2)cc(cc3)OC)C(=O)c2c1c(=O)c1c(o2)cccc1

STK584725
Synonyms: 2- (3- tert- butyl- 4,9- dimethyl- 7- oxo- 7H- furo[2,3- f]chromen- 8- yl)- N- (pyridin- 3- ylmethyl)acetamide
Smiles: O=C(Cc1c(=O)oc2c(c1C)c1occ(c1c(c2)C)C(C)(C)C)NCc1cccnc1

STK584726
Synonyms: 6- chloro- 7- methyl- 4- oxo- N- [(2Z)- 5- {[(2E)- 3- phenylprop- 2- en- 1- yl]sulfanyl}- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4H- chromene- 2- carboxamide
Smiles: O=C(c1cc(=O)c2c(o1)cc(c(c2)Cl)C)/N=c\1/[nH]nc(s1)SC/C=C/c1ccccc1

STK584727
Synonyms: 4- acetyl- N- [(3Z)- 1- propyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]benzenesulfonamide
Smiles: CCCn1[nH]/c(=N\S(=O)(=O)c2ccc(cc2)C(=O)C)/c2c1nc1ccccc1c2

STK584728
Synonyms: N- (3- methylphenyl)- 4- (4- methylphenyl)- 1- [4- (propan- 2- yl)phenyl]- 5,6,7,8- tetrahydro- 2a,4a- diazacyclopenta[cd]azulene- 2- carboxamide
Smiles: Cc1cccc(c1)NC(=O)c1n2cc(n3c2c(c1c1ccc(cc1)C(C)C)CCCC3)c1ccc(cc1)C

STK584730
Synonyms: 4- (2- hydroxy- 5- nitrophenyl)- 2- phenyl- 4,6,7,8- tetrahydro- 2H- pyrazolo[3,4- b]quinoline- 3,5- diol
Smiles: OC1=C2C(=Nc3c(C2c2cc(ccc2O)[N+](=O)[O-])c(O)n(n3)c2ccccc2)CCC1

STK584731
Synonyms: 1- (2,5- dimethoxyphenyl)- 2- (6- methoxy- 1,3- benzothiazol- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: COc1ccc(c(c1)C1N(c2nc3c(s2)cc(cc3)OC)C(=O)c2c1c(=O)c1c(o2)cccc1)OC

STK584732
Synonyms: 5- (3- methylphenyl)- 4- {[(E)- (2- methylphenyl)methylidene]amino}- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Cc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1ccccc1C

STK584733
Synonyms: 4- {[(E)- (3- bromophenyl)methylidene]amino}- 5- (pyridin- 2- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Brc1cccc(c1)/C=N/n1c(=S)[nH]nc1c1ccccn1

STK584737
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- {[(4- chlorophenyl)sulfanyl]methyl}- N'- {(E)- [4- (diethylamino)phenyl]methylidene}- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CCN(c1ccc(cc1)/C=N/NC(=O)c1nnn(c1CSc1ccc(cc1)Cl)c1nonc1N)CC

STK584739
Synonyms: 3- (4- chlorophenoxy)- 5- [(2- hydroxyethyl)amino]- 6H- anthra[1,9- cd][1,2]oxazol- 6- one
Smiles: OCCNc1cc(Oc2ccc(cc2)Cl)c2c3c1C(=O)c1ccccc1c3on2

STK584741
Synonyms: (E)- {2- [4- (dimethylamino)phenyl]- 1- [2- (dimethylammonio)ethyl]- 4,5- dioxopyrrolidin- 3- ylidene}(phenyl)methanolate
Smiles: C[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccccc2)/[O-])/C1c1ccc(cc1)N(C)C)C

STK584743
Synonyms: (2S)- N- (2,4- difluorophenyl)- 2- (4- oxoquinazolin- 3(4H)- yl)propanamide
Smiles: O=C([C@@H](n1cnc2c(c1=O)cccc2)C)Nc1ccc(cc1F)F

STK584744
Synonyms: 2- (4- oxo- 1,2,3- benzotriazin- 3(4H)- yl)- N- [4- (trifluoromethoxy)phenyl]butanamide
Smiles: CCC(n1nnc2c(c1=O)cccc2)C(=O)Nc1ccc(cc1)OC(F)(F)F

STK584745
Synonyms: N'- [3- (1,3- benzodioxol- 5- yl)- 6- methylheptyl]- N,N- dimethylethane- 1,2- diamine
Smiles: CC(CCC(c1ccc2c(c1)OCO2)CCNCCN(C)C)C

STK584746
Synonyms: 1- (4- bromophenyl)- 7- chloro- 2- (1,3,4- thiadiazol- 2- yl)- 1,2- dihydrochromeno[2,3- c]pyrrole- 3,9- dione
Smiles: Brc1ccc(cc1)C1N(c2nncs2)C(=O)c2c1c(=O)c1c(o2)ccc(c1)Cl

STK584747
Synonyms: methyl(1- {7- methyl- 3- [(Z)- (3- methyl- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene)methyl]- 4- oxo- 4H- pyrido[1,2- a]pyrimidin- 2- yl}- 3- oxopiperazin- 2- yl)acetate
Smiles: COC(=O)CC1C(=O)NCCN1c1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)C)C

STK584748
Synonyms: N- {4- [(3a'S,6a'R)- 5- fluoro- 3'- (1H- indol- 3- ylmethyl)- 2,4',6'- trioxo- 1,2,2',3',3a',4',6',6a'- octahydro- 5'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrol]- 5'- yl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2c[nH]c3c2cccc3)C(=O)Nc2c1cc(F)cc2

STK584749
Synonyms: 3- [(4- bromobenzyl)sulfanyl]- 5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazole
Smiles: Brc1ccc(cc1)CSc1nnc(n1C)c1cccc(c1)Cl

STK584750
Synonyms: (1'S,3R,3'S,7a'S)- 1'- [(2,4- dichlorophenyl)carbonyl]- 7''- methyl- 5',6',7',7a'- tetrahydro- 1'H- dispiro[indole- 3,2'- pyrrolizine- 3',3''- indole]- 2,2''(1H,1''H)- dione
Smiles: Clc1ccc(c(c1)Cl)C(=O)[C@@H]1[C@@H]2CCCN2[C@@]2([C@]31C(=O)Nc1c3cccc1)C(=O)Nc1c2cccc1C

STK584751
Synonyms: (2'S,3S,3'S,10b'R)- 2'- [(4- methylphenyl)carbonyl]- 3'- [(2- propoxyphenyl)carbonyl]- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: CCCOc1ccccc1C(=O)[C@H]1N2C=Cc3c([C@@H]2[C@@]2([C@@H]1C(=O)c1ccc(cc1)C)C(=O)Nc1c2cccc1)cccc3

STK584753
Synonyms: 4- [(E)- {[3- (4- fluorophenyl)- 5- thioxo- 1,5- dihydro- 4H- 1,2,4- triazol- 4- yl]imino}methyl]- 2- methoxyphenylacetate
Smiles: COc1cc(ccc1OC(=O)C)/C=N/n1c(=S)[nH]nc1c1ccc(cc1)F

STK584755
Synonyms: 8- benzyl- 1,6,7- trimethyl- 3- [2- (morpholin- 4- yl)ethyl]- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: Cn1c(=O)n(CCN2CCOCC2)c(=O)c2c1nc1n2c(c(n1Cc1ccccc1)C)C

STK584756
Synonyms: 3- (4- tert- butylphenyl)- 5- [(4- methylbenzyl)sulfanyl]- 4- (4- methylphenyl)- 4H- 1,2,4- triazole
Smiles: Cc1ccc(cc1)n1c(nnc1c1ccc(cc1)C(C)(C)C)SCc1ccc(cc1)C

STK584757
Synonyms: {1- [2- (2- chlorophenoxy)ethyl]- 1H- benzimidazol- 2- yl}(phenyl)methanol
Smiles: Clc1ccccc1OCCn1c(nc2c1cccc2)C(c1ccccc1)O

STK584758
Synonyms: 3- (pyridin- 3- ylmethyl)- 3,4,8,9- tetrahydro- 2H- cyclopenta[3,4]chromeno[8,7- e][1,3]oxazin- 6(7H)- one
Smiles: O=c1oc2c3CN(COc3ccc2c2c1CCC2)Cc1cccnc1

STK584760
Synonyms: (4E)- 2- (4- fluorophenyl)- 4- {[(2- hydroxyethyl)amino]methylidene}isoquinoline- 1,3(2H,4H)- dione
Smiles: OCCN/C=C\1/C(=O)N(c2ccc(cc2)F)C(=O)c2c1cccc2