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

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STK554378
Synonyms: 2,2- dimethyl- 5- (morpholin- 4- yl)- 8- (pentyloxy)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CCCCCOc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK554380
Synonyms: ethyl5- methoxy- 1,2- dimethyl- 4- {[(4- phenylpiperazin- 1- yl)acetyl]amino}- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1c(NC(=O)CN1CCN(CC1)c1ccccc1)c(OC)cc2)C

STK554381
Synonyms: 1- (4- butoxyphenyl)- 3- [hydroxy(phenyl)amino]pyrrolidine- 2,5- dione
Smiles: CCCCOc1ccc(cc1)N1C(=O)CC(C1=O)N(c1ccccc1)O

STK554382
Synonyms: 1- (3- chlorophenyl)- 3- [hydroxy(phenyl)amino]pyrrolidine- 2,5- dione
Smiles: Clc1cccc(c1)N1C(=O)CC(C1=O)N(c1ccccc1)O

STK554383
Synonyms: 2'- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 1- ethyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCN1CCC2(CC1)Oc1ccccc1C1N2N=C(C1)c1ccc2c(c1)OCCO2

STK554384
Synonyms: 2- {[4- (4- bromophenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2- chloro- 4,6- dimethylphenyl)acetamide
Smiles: O=C(Nc1c(C)cc(cc1Cl)C)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1

STK554385
Synonyms: 3- (4- methylphenyl)- 2- {[3- (trifluoromethyl)benzyl]sulfanyl}quinazolin- 4(3H)- one
Smiles: Cc1ccc(cc1)n1c(SCc2cccc(c2)C(F)(F)F)nc2c(c1=O)cccc2

STK554386
Synonyms: 2- {[2- (1,3- benzodioxol- 5- yl)- 2- oxoethyl]sulfanyl}- 3- (4- chlorophenyl)- 3,5,6,7- tetrahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: Clc1ccc(cc1)n1c(SCC(=O)c2ccc3c(c2)OCO3)nc2c(c1=O)c1CCCc1s2

STK554388
Synonyms: 2- [(4- chlorobenzyl)sulfanyl]- 5- [(2,5- dimethylbenzyl)sulfanyl]- 1,3,4- thiadiazole
Smiles: Clc1ccc(cc1)CSc1nnc(s1)SCc1cc(C)ccc1C

STK554389
Synonyms: ethyl4- {[(2- ethylpiperidin- 1- yl)acetyl]amino}- 5- methoxy- 1,2- dimethyl- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c2c(NC(=O)CN3CCCCC3CC)c(OC)ccc2n(c1C)C

STK554390
Synonyms: (3aS,4R,9aS,9bR)- 2- (2- chlorophenyl)- 4- [(3- nitrophenyl)carbonyl]- 1,3- dioxo- 2,3,3a,4,9a,9b- hexahydro- 1H- pyrrolo[3,4- a]indolizine- 8- carbonitrile
Smiles: N#CC1=C[C@@H]2N(C=C1)[C@H]([C@@H]1[C@H]2C(=O)N(C1=O)c1ccccc1Cl)C(=O)c1cccc(c1)[N+](=O)[O-]

STK554392
Synonyms: 2- {[4- (4- bromophenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2- fluorophenyl)acetamide
Smiles: O=C(Nc1ccccc1F)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1

STK554393
Synonyms: 2- {[4- (4- bromophenyl)- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (4- chloro- 2- methoxy- 5- methylphenyl)acetamide
Smiles: COc1cc(Cl)c(cc1NC(=O)CSc1nnc(n1c1ccc(cc1)Br)c1ccncc1)C

STK554395
Synonyms: 1- (2,6- dichlorophenyl)- 3- [hydroxy(phenyl)amino]pyrrolidine- 2,5- dione
Smiles: ON(C1CC(=O)N(C1=O)c1c(Cl)cccc1Cl)c1ccccc1

STK554396
Synonyms: 5- (3- chloro- 2- methylphenyl)- 3- (4- fluorophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Fc1ccc(cc1)C1N(OC2C1C(=O)N(C2=O)c1cccc(c1C)Cl)c1ccccc1

STK554398
Synonyms: (2Z)- 6- (2- chlorobenzyl)- 2- (2- methoxybenzylidene)- 7H- [1,3]thiazolo[3,2- b][1,2,4]triazine- 3,7(2H)- dione
Smiles: COc1ccccc1/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1Cl

STK554399
Synonyms: N- [(4E)- 8- ethoxy- 1,3- dimethyl- 6- (4- propoxyphenyl)- 4H- cyclohepta[c]furan- 4- ylidene]benzene- 1,2- diamine
Smiles: CCCOc1ccc(cc1)c1c/c(=N\c2ccccc2N)/c2c(c(c1)OCC)c(oc2C)C

STK554400
Synonyms: (2Z)- 2- (4- bromobenzylidene)- 6- (2- chlorobenzyl)- 7H- [1,3]thiazolo[3,2- b][1,2,4]triazine- 3,7(2H)- dione
Smiles: Brc1ccc(cc1)/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1Cl

STK554401
Synonyms: 5- (naphthalen- 2- yl)- 2,3- diphenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: O=C1N(c2ccc3c(c2)cccc3)C(=O)C2C1ON(C2c1ccccc1)c1ccccc1

STK554402
Synonyms: (6aS,6bR,9aS,10R)- 10- [(3- nitrophenyl)carbonyl]- 8- (2- phenylethyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: O=C([C@H]1[C@H]2C(=O)N(C(=O)[C@H]2[C@H]2N1c1ccccc1C=C2)CCc1ccccc1)c1cccc(c1)[N+](=O)[O-]

STK554405
Synonyms: (1'S,2'S,3R,3a'R)- 2'- [(2,5- dimethoxyphenyl)carbonyl]- 1'- (phenylcarbonyl)- 1',2'- dihydro- 3a'H- spiro[indole- 3,3'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: COc1ccc(c(c1)C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2)N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1)OC

STK554406
Synonyms: N- [2- (4- methoxyphenyl)ethyl]- 5H- pyrimido[5,4- b]indol- 4- amine
Smiles: COc1ccc(cc1)CCNc1ncnc2c1[nH]c1c2cccc1

STK554408
Synonyms: (1'S,2'S,3a'R)- 2'- (4- methoxyphenyl)- 1'- [(3- nitrophenyl)carbonyl]- 1',2'- dihydro- 3a'H- spiro[indene- 2,3'- pyrrolo[1,2- a]quinoline]- 1,3- dione
Smiles: COc1ccc(cc1)[C@@H]1[C@@H](C(=O)c2cccc(c2)[N+](=O)[O-])N2[C@@H]([C@@]31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1

STK554410
Synonyms: 4- [(1E)- 2- (acetylamino)- 3- oxo- 3- (phenylamino)prop- 1- en- 1- yl]phenyl4- methylbenzenesulfonate
Smiles: CC(=O)N/C(=C/c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)/C(=O)Nc1ccccc1

STK554412
Synonyms: (2Z)- 6- (3,4- dimethoxybenzyl)- 2- (4- propoxybenzylidene)- 7H- [1,3]thiazolo[3,2- b][1,2,4]triazine- 3,7(2H)- dione
Smiles: CCCOc1ccc(cc1)/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccc(c(c1)OC)OC

STK554413
Synonyms: 3- {5- [(3,4- dichlorobenzyl)sulfanyl]- 4- (4- ethoxyphenyl)- 4H- 1,2,4- triazol- 3- yl}pyridine
Smiles: CCOc1ccc(cc1)n1c(nnc1c1cccnc1)SCc1ccc(c(c1)Cl)Cl

STK554414
Synonyms: 2- hydrazinyl- 3- (2- methylprop- 2- en- 1- yl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: NNc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCCC3

STK554415
Synonyms: 6- oxo- N- (pyridin- 4- yl)- 1,6- dihydropyridazine- 3- carboxamide
Smiles: O=C(c1ccc(=O)[nH]n1)Nc1ccncc1

STK554419
Synonyms: N- [4- (4,4- dimethyl- 3,5- diphenyl- 4,5- dihydro- 1H- pyrazol- 1- yl)benzyl]cyclohexanamine
Smiles: CC1(C)C(=NN(C1c1ccccc1)c1ccc(cc1)CNC1CCCCC1)c1ccccc1

STK554420
Synonyms: N- (4- chloro- 2- methylphenyl)- 2- {[3- (4- ethoxyphenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2C)Cl)nc2c(c1=O)cccc2

STK554421
Synonyms: 1- amino- 8,8- dimethyl- 5- (morpholin- 4- yl)- 8,9- dihydro- 6H- pyrano[4,3- d]thieno[2,3- b]pyridine- 2- carbohydrazide
Smiles: NNC(=O)c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCOCC1

STK554422
Synonyms: (2Z)- 6- (3,4- dimethoxybenzyl)- 2- (2- methoxybenzylidene)- 7H- [1,3]thiazolo[3,2- b][1,2,4]triazine- 3,7(2H)- dione
Smiles: COc1cc(ccc1OC)Cc1nn2c(nc1=O)s/c(=C\c1ccccc1OC)/c2=O

STK554424
Synonyms: 3- [5- (4- bromophenyl)- 5- hydroxy- 3- phenyl- 1,2- oxazolidin- 2- yl]- 1- (3,4- dichlorophenyl)pyrrolidine- 2,5- dione
Smiles: Brc1ccc(cc1)C1(O)CC(N(O1)C1CC(=O)N(C1=O)c1ccc(c(c1)Cl)Cl)c1ccccc1

STK554425
Synonyms: N- (3,5- dimethylphenyl)- 2- {[3- (4- methylphenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(C)cc(c1)C)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)C

STK554427
Synonyms: N- [3- (2,2- dimethyltetrahydro- 2H- pyran- 4- yl)- 3- phenylpropyl]- 2- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)acetamide
Smiles: O=C(CN1C(=O)c2c(C1=O)cccc2)NCCC(c1ccccc1)C1CCOC(C1)(C)C

STK554428
Synonyms: 1',3',3'- trimethyl- 5- nitro- 7- (propan- 2- yloxy)- 1',3'- dihydrospiro[chromene- 2,2'- indole]
Smiles: CC(Oc1cc2OC3(C=Cc2c(c1)[N+](=O)[O-])N(C)c1c(C3(C)C)cccc1)C

STK554429
Synonyms: 6- butyl- 9- (3,4- dimethylphenyl)- 3- methyl- 1- phenyl- 1H- pyrazolo[4',3':5,6]pyrido[2,3- d]pyrimidine- 5,7(6H,9H)- dione
Smiles: CCCCn1c(=O)nc2c(c1=O)cc1c(n2c2ccc(c(c2)C)C)n(nc1C)c1ccccc1

STK554431
Synonyms: ethyl4- ({(2E)- 3- (3,4- diethoxyphenyl)- 2- [(phenylcarbonyl)amino]prop- 2- enoyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)/C(=C\c1ccc(c(c1)OCC)OCC)/NC(=O)c1ccccc1

STK554432
Synonyms: N- (4- chloro- 2- methoxy- 5- methylphenyl)- 2- {[3- (4- chlorophenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}acetamide
Smiles: COc1cc(Cl)c(cc1NC(=O)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl)C

STK554433
Synonyms: 3- (4- methylphenyl)- 2- {[3- (trifluoromethyl)benzyl]sulfanyl}- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: Cc1ccc(cc1)n1c(SCc2cccc(c2)C(F)(F)F)nc2c(c1=O)c1CCCCc1s2

STK554435
Synonyms: 2- {[5- (4- chlorophenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,6- dichlorophenyl)acetamide
Smiles: O=C(Nc1c(Cl)cccc1Cl)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)Cl

STK554437
Synonyms: N- (4- chloro- 2- methoxy- 5- methylphenyl)- 2- {[4- (4- chlorophenyl)- 5- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1cc(Cl)c(cc1NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccc(cc1)OC)C

STK554438
Synonyms: methyl3- [(3,4- dihydroisoquinolin- 2(1H)- ylacetyl)amino]- 6- methoxy- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCc3c(C1)cccc3)ccc(c2)OC

STK554439
Synonyms: N- (5- chloro- 2- methylphenyl)- 2- {[4- (4- ethoxyphenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1c1cccnc1

STK554440
Synonyms: 2- {[3- (4- chlorophenyl)- 4- oxo- 3,5,6,7- tetrahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}- N- (2,5- dimethylphenyl)acetamide
Smiles: O=C(Nc1cc(C)ccc1C)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3

STK554441
Synonyms: (4aR,4bS,7aR,8S)- N- (4- chlorophenyl)- 6- (3- fluorophenyl)- 5,7- dioxo- 4b,5,6,7,7a,8- hexahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 8- carboxamide
Smiles: O=C([C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc(c1)F)Nc1ccc(cc1)Cl

STK554442
Synonyms: dimethyl3- methyl- 5- {[3- (3- methylphenoxy)propanoyl]amino}thiophene- 2,4- dicarboxylate
Smiles: COC(=O)c1c(NC(=O)CCOc2cccc(c2)C)sc(c1C)C(=O)OC

STK554444
Synonyms: (2Z)- 6- (2- chlorobenzyl)- 2- (4- propoxybenzylidene)- 7H- [1,3]thiazolo[3,2- b][1,2,4]triazine- 3,7(2H)- dione
Smiles: CCCOc1ccc(cc1)/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1Cl

STK554445
Synonyms: methyl3- [(2- bromohexanoyl)amino]- 1H- indole- 2- carboxylate
Smiles: CCCCC(C(=O)Nc1c([nH]c2c1cccc2)C(=O)OC)Br

STK554446
Synonyms: 2- {[3- (4- chlorophenyl)- 4- oxo- 3,5,6,7- tetrahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}- N- (3,4- dimethoxyphenyl)acetamide
Smiles: COc1ccc(cc1OC)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3

STK554447
Synonyms: (2E)- 2- [(2- methylphenyl)imino]- 6- nitro- 4H- 1,3- benzodithiin- 4- one
Smiles: Cc1ccccc1/N=c\1/sc(=O)c2c(s1)ccc(c2)[N+](=O)[O-]

STK554448
Synonyms: ethyl(1S,2S,3S)- 3- cyano- 1- (2,2- dimethylpropanoyl)- 2- phenyl- 1,2,3,3a- tetrahydropyrrolo[1,2- a]quinoline- 3- carboxylate
Smiles: CCOC(=O)[C@@]1(C#N)[C@H](c2ccccc2)[C@H](N2C1C=Cc1c2cccc1)C(=O)C(C)(C)C

STK554449
Synonyms: (2Z)- 6- (2- chlorobenzyl)- 2- (3- chlorobenzylidene)- 7H- [1,3]thiazolo[3,2- b][1,2,4]triazine- 3,7(2H)- dione
Smiles: Clc1cccc(c1)/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1Cl

STK554452
Synonyms: 8- chloro- 3- {[(E)- (4- fluorophenyl)methylidene]amino}- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: Fc1ccc(cc1)/C=N/n1cnc2c(c1=O)[nH]c1c2cc(cc1)Cl

STK554453
Synonyms: 2- {[4- (4- bromophenyl)- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (4- methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)C)CSc1nnc(n1c1ccc(cc1)Br)c1ccncc1

STK554454
Synonyms: (2E)- 3- [(5- methoxy- 2- methyl- 4- nitrophenyl)amino]- 2- [4- (4- methylphenyl)- 1,3- thiazol- 2- yl]prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cc(OC)c(cc1C)[N+](=O)[O-])/c1scc(n1)c1ccc(cc1)C

STK554455
Synonyms: 8- methyl- 3- [3- (propan- 2- yloxy)propyl]- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: CC(OCCCn1cnc2c(c1=O)[nH]c1c2cc(cc1)C)C

STK554456
Synonyms: 4- [(4aR,4bS,7aR,8S)- 8- [(4- chlorophenyl)carbamoyl]- 5,7- dioxo- 4b,5,7a,8- tetrahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazin- 6(7H)- yl]phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)Nc2ccc(cc2)Cl)N=CC=C1

STK554457
Synonyms: 3- {[(E)- (3- fluorophenyl)methylidene]amino}- 8- methyl- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: Cc1ccc2c(c1)c1ncn(c(=O)c1[nH]2)/N=C/c1cccc(c1)F

STK554458
Synonyms: 7- ({3- [(1,3- benzodioxol- 5- ylmethyl)amino]propyl}amino)- 3- tert- butyl- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: O=c1c2ccccc2c(=O)c2c1c(NCCCNCc1ccc3c(c1)OCO3)cc1c2[nH]c2c(o1)cc(cc2)C(C)(C)C

STK554459
Synonyms: N- (4- bromo- 2- methylphenyl)- 2- {[3- (4- methoxyphenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2C)Br)nc2c(c1=O)cccc2

STK554460
Synonyms: [(1S,2R,3S,3aR)- 2- (4- methoxyphenyl)- 3- nitro- 1,2,3,3a- tetrahydropyrrolo[1,2- a]quinolin- 1- yl](3- nitrophenyl)methanone
Smiles: COc1ccc(cc1)[C@@H]1[C@@H](C(=O)c2cccc(c2)[N+](=O)[O-])N2[C@@H]([C@H]1[N+](=O)[O-])C=Cc1c2cccc1

STK554461
Synonyms: 2- imino- 10- methyl- 3- (phenylsulfonyl)- 1- (pyridin- 4- ylmethyl)- 1,2- dihydro- 5H- dipyrido[1,2- a:2',3'- d]pyrimidin- 5- one
Smiles: O=c1c2cc(c(=N)n(c2nc2n1cccc2C)Cc1ccncc1)S(=O)(=O)c1ccccc1

STK554462
Synonyms: 2- {[3- (4- chlorophenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}- N- [2- (propan- 2- yl)phenyl]acetamide
Smiles: O=C(Nc1ccccc1C(C)C)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl

STK554464
Synonyms: (3aS,4R,9aS,9bR)- 2- (3- fluorophenyl)- 4- [(3- nitrophenyl)carbonyl]- 1,3- dioxo- 2,3,3a,4,9a,9b- hexahydro- 1H- pyrrolo[3,4- a]indolizine- 8- carbonitrile
Smiles: N#CC1=C[C@@H]2N(C=C1)[C@H]([C@@H]1[C@H]2C(=O)N(C1=O)c1cccc(c1)F)C(=O)c1cccc(c1)[N+](=O)[O-]

STK554467
Synonyms: (8S,8aR,11aS,11bS)- 8- acetyl- 10- (3- bromophenyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: Brc1cccc(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)C)N=Cc2c1cccc2

STK554469
Synonyms: 2- [(2,5- dimethylbenzyl)sulfanyl]- 3- (4- ethoxyphenyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CCOc1ccc(cc1)n1c(SCc2cc(C)ccc2C)nc2c(c1=O)c1CCCCc1s2

STK554470
Synonyms: (5Z)- 3- (phenylamino)- 5- (pyridin- 2- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: S=C1S/C(=C\c2ccccn2)/C(=O)N1Nc1ccccc1

STK554472
Synonyms: 2- {[4- (4- bromophenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2- methoxy- 5- methylphenyl)acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1)C

STK554473
Synonyms: N- [4- (acetylamino)phenyl]- 2- {[6,6- dimethyl- 3- (2- methylprop- 2- en- 1- yl)- 4- oxo- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetamide
Smiles: CC(=C)Cn1c(SCC(=O)Nc2ccc(cc2)NC(=O)C)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK554474
Synonyms: 3- (4- chlorophenyl)- 2- [(4- methylbenzyl)sulfanyl]- 3,5,6,7- tetrahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: Cc1ccc(cc1)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3

STK554475
Synonyms: 3- (2,2- dimethoxyethyl)- 8- methyl- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COC(Cn1cnc2c(c1=O)[nH]c1c2cc(cc1)C)OC

STK554476
Synonyms: 2- (2- chloro- 6- fluorophenyl)- 4- (3- chlorophenyl)- 5- phenyl- 1H- imidazole
Smiles: Clc1cccc(c1)c1nc([nH]c1c1ccccc1)c1c(F)cccc1Cl

STK554481
Synonyms: 2- {[4- (4- bromophenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2- ethylphenyl)acetamide
Smiles: CCc1ccccc1NC(=O)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1

STK554482
Synonyms: (2Z)- 6- (3,4- dimethoxybenzyl)- 2- (2,5- dimethoxybenzylidene)- 7H- [1,3]thiazolo[3,2- b][1,2,4]triazine- 3,7(2H)- dione
Smiles: COc1ccc(c(c1)/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccc(c(c1)OC)OC)OC

STK554485
Synonyms: 2'- (4- bromophenyl)- 7'- methoxy- 4- phenyl- 1',10b'- dihydrospiro[cyclohexane- 1,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCC(CC1)c1ccccc1)N1C2CC(=N1)c1ccc(cc1)Br

STK554487
Synonyms: 3- {4- (4- bromophenyl)- 5- [(2,5- dimethylbenzyl)sulfanyl]- 4H- 1,2,4- triazol- 3- yl}pyridine
Smiles: Brc1ccc(cc1)n1c(nnc1c1cccnc1)SCc1cc(C)ccc1C

STK554488
Synonyms: ethyl1- {3- [(1- methyl- 8,13- dioxo- 13,14- dihydro- 8H- naphtho[2,3- a]phenoxazin- 7- yl)amino]propyl}piperidine- 4- carboxylate
Smiles: CCOC(=O)C1CCN(CC1)CCCNc1cc2oc3cccc(c3[nH]c2c2c1c(=O)c1ccccc1c2=O)C

STK554489
Synonyms: 2- {[2- (4- ethoxyphenyl)- 2- oxoethyl]sulfanyl}- 3- (4- methylphenyl)quinazolin- 4(3H)- one
Smiles: CCOc1ccc(cc1)C(=O)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)C

STK554490
Synonyms: 3- (2- hydroxy- 4- nitrophenyl)- 5- [4- (pentyloxy)phenyl]- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCCCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1O)[N+](=O)[O-]

STK554491
Synonyms: 5- (2,4- dimethoxyphenyl)- 7- (3,4- dimethoxyphenyl)- 4,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidine
Smiles: COc1ccc(c(c1)OC)C1=CC(n2c(N1)ncn2)c1ccc(c(c1)OC)OC

STK554492
Synonyms: 6- (biphenyl- 4- yl)- 2,3- dimethyl- 7- phenylimidazo[1,2- b][1,2,4]triazine
Smiles: Cc1nn2c(nc1C)nc(c2c1ccccc1)c1ccc(cc1)c1ccccc1

STK554493
Synonyms: 2- {[4- (4- bromophenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [4- (propan- 2- yl)phenyl]acetamide
Smiles: O=C(Nc1ccc(cc1)C(C)C)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1

STK554494
Synonyms: ethyl1- {3- [(3- tert- butyl- 8,13- dioxo- 13,14- dihydro- 8H- naphtho[2,3- a]phenoxazin- 7- yl)amino]propyl}piperidine- 3- carboxylate
Smiles: CCOC(=O)C1CCCN(C1)CCCNc1cc2oc3cc(ccc3[nH]c2c2c1c(=O)c1c(c2=O)cccc1)C(C)(C)C

STK554495
Synonyms: 3- (4- bromophenyl)- 2- [(2,5- dimethylbenzyl)sulfanyl]quinazolin- 4(3H)- one
Smiles: Brc1ccc(cc1)n1c(SCc2cc(C)ccc2C)nc2c(c1=O)cccc2

STK554496
Synonyms: N- (3- chloro- 2- methylphenyl)- 2- {[3- (4- chlorophenyl)- 4- oxo- 3,5,6,7- tetrahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1C)Cl)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3

STK554497
Synonyms: 2- {[2- (4- methylpiperazin- 1- yl)- 2- oxoethyl]sulfanyl}- 4,6- di(thiophen- 2- yl)pyridine- 3- carbonitrile
Smiles: N#Cc1c(SCC(=O)N2CCN(CC2)C)nc(cc1c1cccs1)c1cccs1

STK554498
Synonyms: 1- benzyl- 9'- bromo- 2'- (2,4- dimethoxyphenyl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: COc1cc(OC)ccc1C1=NN2C(C1)c1cc(Br)ccc1OC12CCN(CC1)Cc1ccccc1

STK554499
Synonyms: (9E)- 9- (2- chlorobenzylidene)- 5- (2- chlorophenyl)- 7- methyl- 3- (4- methylphenyl)- 6,7,8,9- tetrahydro- 5H- pyrido[4,3- d][1,3]thiazolo[3,2- a]pyrimidine
Smiles: CN1C/C(=C\c2ccccc2Cl)/C2=C(C1)C(c1ccccc1Cl)n1c(=N2)scc1c1ccc(cc1)C

STK554500
Synonyms: 7- [2- (4- chlorophenyl)- 2- oxoethoxy]- 8- iodo- 3,4- dimethyl- 2H- chromen- 2- one
Smiles: Clc1ccc(cc1)C(=O)COc1ccc2c(c1I)oc(=O)c(c2C)C

STK554501
Synonyms: methyl3- [(E)- {4- [hydroxy(diphenyl)methyl]piperidin- 1- yl}diazenyl]- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1/N=N/N1CCC(CC1)C(c1ccccc1)(c1ccccc1)O)cccc2

STK554502
Synonyms: N- [(4E)- 8- ethoxy- 1,3- dimethyl- 4H- cyclohepta[c]furan- 4- ylidene]- N'- phenylbenzene- 1,4- diamine
Smiles: CCOc1ccc/c(=N\c2ccc(cc2)Nc2ccccc2)/c2c1c(C)oc2C

STK554503
Synonyms: 1- (2- {[4- (dimethylamino)- 6- (methylsulfanyl)- 1,3,5- triazin- 2- yl]oxy}ethyl)- 3- phenylurea
Smiles: CSc1nc(OCCNC(=O)Nc2ccccc2)nc(n1)N(C)C

STK554504
Synonyms: 3- (4- bromophenyl)- 2- [(3- chlorobenzyl)sulfanyl]quinazolin- 4(3H)- one
Smiles: Brc1ccc(cc1)n1c(SCc2cccc(c2)Cl)nc2c(c1=O)cccc2

STK554507
Synonyms: 2- {[2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]sulfanyl}propanoicacid
Smiles: OC(=O)C(Sc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1)C

STK554508
Synonyms: 17- [2- (piperazin- 1- yl)ethyl]- 17- azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca- 2,4,6,9,11,13- hexaene- 16,18- dione(non- preferredname)
Smiles: O=C1C2C(C(=O)N1CCN1CCNCC1)C1c3c(C2c2c1cccc2)cccc3

STK554509
Synonyms: 6- ethyl- 6- methyl- 2- (methylsulfanyl)- 3- phenyl- 3,5,6,8- tetrahydro- 4H- thiopyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: CCC1(C)SCc2c(C1)c1c(s2)nc(n(c1=O)c1ccccc1)SC

STK554510
Synonyms: 6- butyl- 9- (4- ethylphenyl)- 3- methyl- 1- phenyl- 1H- pyrazolo[4',3':5,6]pyrido[2,3- d]pyrimidine- 5,7(6H,9H)- dione
Smiles: CCCCn1c(=O)nc2c(c1=O)cc1c(n2c2ccc(cc2)CC)n(nc1C)c1ccccc1

STK554511
Synonyms: (2'S,3S,3'S,10b'R)- 2'- [(3- methoxyphenyl)carbonyl]- 3'- (phenylcarbonyl)- 2',3'- dihydro- 10b'H- spiro[indole- 3,1'- pyrrolo[2,1- a]isoquinolin]- 2(1H)- one
Smiles: COc1cccc(c1)C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2)N2[C@@H]([C@@]31C(=O)Nc1c3cccc1)c1ccccc1C=C2

STK554512
Synonyms: 3,3'- (hydroxyimino)bis[1- (2- nitrophenyl)pyrrolidine- 2,5- dione]
Smiles: ON(C1CC(=O)N(C1=O)c1ccccc1[N+](=O)[O-])C1CC(=O)N(C1=O)c1ccccc1[N+](=O)[O-]

STK554514
Synonyms: methyl5- methyl- 3- ({[(1R,2S)- 2- phenylcyclopropyl]carbonyl}amino)- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)[C@@H]1C[C@@H]1c1ccccc1)cc(cc2)C

STK554516
Synonyms: 3- {[6,6- dimethyl- 2- (methylsulfanyl)- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]amino}propan- 1- ol
Smiles: OCCCNC1NC(=Nc2c1c1CC(C)(C)OCc1s2)SC

STK554517
Synonyms: (2Z)- 6- (2- chlorobenzyl)- 2- (3- nitrobenzylidene)- 7H- [1,3]thiazolo[3,2- b][1,2,4]triazine- 3,7(2H)- dione
Smiles: O=c1nc2s/c(=C\c3cccc(c3)[N+](=O)[O-])/c(=O)n2nc1Cc1ccccc1Cl

STK554518
Synonyms: 2- {[3- (4- chlorophenyl)- 4- oxo- 3,5,6,7- tetrahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}- N- (2- methoxy- 5- methylphenyl)acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3)C

STK554520
Synonyms: 5- (4- bromophenyl)- 2- (4- methylphenyl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: Cc1ccc(cc1)C1=NN2C(C1)c1ccccc1OC2c1ccc(cc1)Br

STK554521
Synonyms: 2- {[3- (4- bromophenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}- N- (2,6- dichlorophenyl)acetamide
Smiles: O=C(Nc1c(Cl)cccc1Cl)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Br

STK554522
Synonyms: N- (4- chloro- 2- methoxy- 5- methylphenyl)- 2- {[4- (4- methylphenyl)- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1cc(Cl)c(cc1NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccncc1)C

STK554523
Synonyms: 5- (4- bromophenyl)- 9- chloro- 2- phenyl- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: Clc1ccc2c(c1)C1CC(=NN1C(O2)c1ccc(cc1)Br)c1ccccc1

STK554525
Synonyms: 3- chloro- N- [(5Z)- 5- (4- ethoxy- 3- methoxybenzylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]benzamide
Smiles: CCOc1ccc(cc1OC)/C=C/1\SC(=S)N(C1=O)NC(=O)c1cccc(c1)Cl

STK554526
Synonyms: (6Z)- 5- imino- 2- [(2- methylphenoxy)methyl]- 6- {[1- (naphthalen- 1- ylmethyl)- 1H- indol- 3- yl]methylidene}- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1cn(c2c1cccc2)Cc1cccc2c1cccc2)COc1ccccc1C

STK554527
Synonyms: 4- {(1E)- 2- (acetylamino)- 3- oxo- 3- [(2- phenylethyl)amino]prop- 1- en- 1- yl}phenyl4- methylbenzenesulfonate
Smiles: CC(=O)N/C(=C/c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)/C(=O)NCCc1ccccc1

STK554528
Synonyms: 3- (4- bromophenyl)- 2- [(3- chlorobenzyl)sulfanyl]- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: Brc1ccc(cc1)n1c(SCc2cccc(c2)Cl)nc2c(c1=O)c1CCCCc1s2

STK554529
Synonyms: 3- butyl- 11- (4- phenoxyphenyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: CCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(cc1)Oc1ccccc1

STK554530
Synonyms: 9- bromo- 2- (4- chlorophenyl)- 5- (pyridin- 3- yl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: Brc1ccc2c(c1)C1CC(=NN1C(O2)c1cccnc1)c1ccc(cc1)Cl

STK554532
Synonyms: (2Z)- 6- (2- chlorobenzyl)- 2- (2- chlorobenzylidene)- 7H- [1,3]thiazolo[3,2- b][1,2,4]triazine- 3,7(2H)- dione
Smiles: Clc1ccccc1Cc1nn2c(nc1=O)s/c(=C\c1ccccc1Cl)/c2=O

STK554533
Synonyms: benzyl{4- (methylsulfanyl)- 1- oxo- 1- [(pyridin- 3- ylmethyl)amino]butan- 2- yl}carbamate
Smiles: CSCCC(C(=O)NCc1cccnc1)NC(=O)OCc1ccccc1

STK554536
Synonyms: (8S,8aR,11aS,11bS)- 8- (2,2- dimethylpropanoyl)- 10- (naphthalen- 2- yl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: O=C1N(c2ccc3c(c2)cccc3)C(=O)[C@H]2[C@@H]1[C@H](N1[C@@H]2c2ccccc2C=C1)C(=O)C(C)(C)C

STK554538
Synonyms: 9'- bromo- 2'- [4- (difluoromethoxy)phenyl]- 1- (propan- 2- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: FC(Oc1ccc(cc1)C1=NN2C(C1)c1cc(Br)ccc1OC12CCN(CC1)C(C)C)F

STK554539
Synonyms: (5Z)- 3- (4- chlorophenyl)- 5- [4- (octyloxy)benzylidene]- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1ccc(cc1)Cl

STK554541
Synonyms: 2- {[2- (2,4- dichlorophenyl)- 2- oxoethyl]sulfanyl}- 3- (furan- 2- ylmethyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 4(6H)- one
Smiles: Clc1ccc(c(c1)Cl)C(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCC3

STK554542
Synonyms: 7- (2- methoxyphenyl)- 5- (4- methylphenyl)- 4,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidine
Smiles: COc1ccccc1C1C=C(Nc2n1ncn2)c1ccc(cc1)C

STK554543
Synonyms: (6Z)- 5- imino- 2- [(2- methylphenoxy)methyl]- 6- ({1- [3- (2- methylphenoxy)propyl]- 1H- indol- 3- yl}methylidene)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1ccccc1OCCCn1cc(c2c1cccc2)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)COc1ccccc1C

STK554544
Synonyms: methyl6- methoxy- 3- [({4- [3- (trifluoromethyl)phenyl]piperazin- 1- yl}acetyl)amino]- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)c1cccc(c1)C(F)(F)F)ccc(c2)OC

STK554546
Synonyms: (8S,8aR,11aS,11bS)- 8- acetyl- 10- (4- nitrophenyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: CC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1N=Cc1c2cccc1)c1ccc(cc1)[N+](=O)[O-]

STK554547
Synonyms: 2'- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 7'- methoxy- 1- methyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCN(CC1)C)N1C2CC(=N1)c1ccc2c(c1)OCCO2

STK554550
Synonyms: 3- [5- (4- bromophenyl)- 5- hydroxy- 3- phenyl- 1,2- oxazolidin- 2- yl]- 1- (4- propoxyphenyl)pyrrolidine- 2,5- dione
Smiles: CCCOc1ccc(cc1)N1C(=O)CC(C1=O)N1OC(CC1c1ccccc1)(O)c1ccc(cc1)Br

STK554551
Synonyms: 3- tert- butyl- 7- {[3- (3,4- dihydroisoquinolin- 2(1H)- yl)propyl]amino}- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: O=c1c2ccccc2c(=O)c2c1c(NCCCN1CCc3c(C1)cccc3)cc1c2[nH]c2c(o1)cc(cc2)C(C)(C)C

STK554552
Synonyms: 2- (benzylsulfanyl)- 3- (4- chlorophenyl)- 3,5,6,7- tetrahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: Clc1ccc(cc1)n1c(SCc2ccccc2)nc2c(c1=O)c1CCCc1s2

STK554554
Synonyms: 3- (4- chlorophenyl)- 2- [(3,4- dichlorobenzyl)sulfanyl]- 3,5,6,7- tetrahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: Clc1ccc(cc1)n1c(SCc2ccc(c(c2)Cl)Cl)nc2c(c1=O)c1CCCc1s2

STK554555
Synonyms: ethyl5- methoxy- 1,2- dimethyl- 4- {[(3- methylpiperidin- 1- yl)acetyl]amino}- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1c(NC(=O)CN1CCCC(C1)C)c(OC)cc2)C

STK554556
Synonyms: 5- (4- butoxyphenyl)- 3- (4- hydroxyphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1)O

STK554558
Synonyms: 2- {[4- (4- bromophenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3,4- dimethylphenyl)acetamide
Smiles: O=C(Nc1ccc(c(c1)C)C)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1

STK554559
Synonyms: 8- [3- (hexyloxy)phenyl]- 1,3- dimethyl- 7- phenyl- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: CCCCCCOc1cccc(c1)n1c(cn2c1nc1c2c(=O)n(c(=O)n1C)C)c1ccccc1

STK554560
Synonyms: {(2Z)- 2- [(2E)- (2,4- dihydroxybenzylidene)hydrazinylidene]- 3- methyl- 4- oxo- 1,3- thiazolidin- 5- yl}aceticacid
Smiles: OC(=O)CC1S/C(=N\N=C\c2ccc(cc2O)O)/N(C1=O)C

STK554561
Synonyms: 2- {[4- (4- bromophenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,4,6- trimethylphenyl)acetamide
Smiles: O=C(Nc1c(C)cc(cc1C)C)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1

STK554562
Synonyms: (5Z)- 5- (2,3- dimethoxybenzylidene)- 2- (phenylamino)- 1,3- thiazol- 4(5H)- one
Smiles: COc1c(cccc1OC)/C=C/1\SC(=NC1=O)Nc1ccccc1

STK554563
Synonyms: 4- ({[3- (4- ethoxyphenyl)- 4- oxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl]sulfanyl}methyl)benzoicacid
Smiles: CCOc1ccc(cc1)n1c(SCc2ccc(cc2)C(=O)O)nc2c(c1=O)c1CCCCc1s2

STK554564
Synonyms: (iodomethyl)(diphenyl)phosphaneoxide
Smiles: ICP(=O)(c1ccccc1)c1ccccc1

STK554567
Synonyms: methyl3- {(E)- [4- (2- fluorophenyl)piperazin- 1- yl]diazenyl}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1/N=N/N1CCN(CC1)c1ccccc1F)cccc2

STK554569
Synonyms: 2- {[4- (4- bromophenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 1- (4- ethoxyphenyl)ethanone
Smiles: CCOc1ccc(cc1)C(=O)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1

STK554571
Synonyms: 8- methoxy- 2,2- dimethyl- 5- (2- methylpropyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: COc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)CC(C)C

STK554572
Synonyms: 5- (methylsulfanyl)- 8,9,10,11- tetrahydro- 7H- [1,2,4]triazolo[1',5':1,6]pyrimido[4,5- b]indole
Smiles: CSc1nc2[nH]c3c(c2c2n1ncn2)CCCC3

STK554574
Synonyms: (2Z)- 6- (3,4- dimethoxybenzyl)- 2- [4- (prop- 2- en- 1- yloxy)benzylidene]- 7H- [1,3]thiazolo[3,2- b][1,2,4]triazine- 3,7(2H)- dione
Smiles: C=CCOc1ccc(cc1)/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccc(c(c1)OC)OC

STK554575
Synonyms: (4aR,4bS,7aR,8S)- N- (4- chlorophenyl)- 6- (4- fluorophenyl)- 5,7- dioxo- 4b,5,6,7,7a,8- hexahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 8- carboxamide
Smiles: Fc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=CC=N1)C(=O)Nc1ccc(cc1)Cl

STK554576
Synonyms: 2- {[3- (4- chlorophenyl)- 4- oxo- 3,5,6,7- tetrahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}- N- (2,4- dimethoxyphenyl)acetamide
Smiles: COc1ccc(c(c1)OC)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3

STK554578
Synonyms: 5- (4- bromophenyl)- 3- (3- methoxyphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1cccc(c1)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(cc1)Br

STK554579
Synonyms: ethyl4- {[(4- benzylpiperazin- 1- yl)acetyl]amino}- 5- methoxy- 1,2- dimethyl- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1c(NC(=O)CN1CCN(CC1)Cc1ccccc1)c(OC)cc2)C

STK554580
Synonyms: ethyl4- ({[4- (2- fluorophenyl)piperazin- 1- yl]acetyl}amino)- 5- methoxy- 1,2- dimethyl- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1c(NC(=O)CN1CCN(CC1)c1ccccc1F)c(OC)cc2)C

STK554581
Synonyms: 2- imino- 1- (4- methylbenzyl)- 3- (phenylsulfonyl)- 1,2- dihydro- 5H- dipyrido[1,2- a:2',3'- d]pyrimidin- 5- one
Smiles: Cc1ccc(cc1)Cn1c2nc3ccccn3c(=O)c2cc(c1=N)S(=O)(=O)c1ccccc1

STK554582
Synonyms: ethyl4- {[({5- [(1,3- benzothiazol- 2- ylsulfanyl)methyl]- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl}sulfanyl)acetyl]amino}benzoate
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)C(=O)OCC)nnc1CSc1nc2c(s1)cccc2

STK554584
Synonyms: (2Z)- 6- (3,4- dimethoxybenzyl)- 2- (1- heptyl- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)- 7H- [1,3]thiazolo[3,2- b][1,2,4]triazine- 3,7(2H)- dione
Smiles: CCCCCCCN1c2ccccc2/C(=c\2/sc3n(c2=O)nc(c(=O)n3)Cc2ccc(c(c2)OC)OC)/C1=O

STK554585
Synonyms: 9,9- dimethyl- 12- (morpholin- 4- yl)- 3,4,8,11- tetrahydro- 2H,9H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3- e]pyrimido[1,2- c]pyrimidine
Smiles: CC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1ncn1c2=NCCC1

STK554587
Synonyms: 1,3- dimethyl- 8- (3- methylphenyl)- 7- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: Cc1cccc(c1)n1c2nc3c(n2cc1C12CC4CC(C2)CC(C1)C4)c(=O)n(c(=O)n3C)C

STK554588
Synonyms: N- (3- bromophenyl)- 2- {[3- (4- methylphenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)Br)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)C

STK554589
Synonyms: methyl3- ({3- [4- (3- chlorophenyl)piperazin- 1- yl]propanoyl}amino)- 5- fluoro- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)c1cccc(c1)Cl)cc(cc2)F

STK554590
Synonyms: 6- iodo- 2- methyl- 3- (naphthalen- 2- yl)quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)C)c1ccc2c(c1)cccc2

STK554592
Synonyms: 3- chloro- N- [(5Z)- 4- oxo- 2- thioxo- 5- (3,4,5- trimethoxybenzylidene)- 1,3- thiazolidin- 3- yl]benzamide
Smiles: COc1cc(/C=C/2\SC(=S)N(C2=O)NC(=O)c2cccc(c2)Cl)cc(c1OC)OC

STK554593
Synonyms: 2- (3- bromo- 2,6- dimethyl- 4- oxoquinolin- 1(4H)- yl)- N- (3,4- dimethylphenyl)acetamide
Smiles: Cc1ccc2c(c1)c(=O)c(c(n2CC(=O)Nc1ccc(c(c1)C)C)C)Br

STK554594
Synonyms: (2E)- 3- [(5- methoxy- 2- methyl- 4- nitrophenyl)amino]- 2- {4- [4- (2- methylpropyl)phenyl]- 1,3- thiazol- 2- yl}prop- 2- enenitrile
Smiles: N#C/C(=C\Nc1cc(OC)c(cc1C)[N+](=O)[O-])/c1scc(n1)c1ccc(cc1)CC(C)C

STK554595
Synonyms: (2Z)- 2- (4- {3- [2- (butan- 2- yl)phenoxy]propoxy}- 3- ethoxybenzylidene)[1,3]thiazolo[3,2- a]benzimidazol- 3(2H)- one
Smiles: CCOc1cc(ccc1OCCCOc1ccccc1C(CC)C)/C=c/1\sc2n(c1=O)c1c(n2)cccc1

STK554596
Synonyms: 3- (4- bromophenyl)- 2- [(2- chlorobenzyl)sulfanyl]- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: Brc1ccc(cc1)n1c(SCc2ccccc2Cl)nc2c(c1=O)c1CCCCc1s2

STK554597
Synonyms: 2- {[4- (4- bromophenyl)- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,6- dichlorophenyl)acetamide
Smiles: O=C(Nc1c(Cl)cccc1Cl)CSc1nnc(n1c1ccc(cc1)Br)c1ccncc1

STK554598
Synonyms: 3- (4- chlorophenyl)- 2- {[2- (2,5- dimethoxyphenyl)- 2- oxoethyl]sulfanyl}- 3,5,6,7- tetrahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: COc1ccc(c(c1)C(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3)OC

STK554599
Synonyms: 2- {[3- (4- chlorophenyl)- 4- oxo- 3,5,6,7- tetrahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}- N- (3- methylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3

STK554600
Synonyms: 3- methyl- 7- {[3- (4- phenylpiperazin- 1- yl)propyl]amino}- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: Cc1ccc2c(c1)oc1c([nH]2)c2c(c(c1)NCCCN1CCN(CC1)c1ccccc1)c(=O)c1c(c2=O)cccc1

STK554602
Synonyms: 3- ({(E)- [4- methoxy- 3- (pyrrolidin- 1- ylmethyl)phenyl]methylidene}amino)- 8- methyl- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc(cc1CN1CCCC1)/C=N/n1cnc2c(c1=O)[nH]c1c2cc(cc1)C

STK554603
Synonyms: N- (4- chloro- 2- methoxy- 5- methylphenyl)- 2- {[3- (4- methoxyphenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}acetamide
Smiles: COc1cc(Cl)c(cc1NC(=O)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)OC)C

STK554604
Synonyms: 3- butyl- 6- chloro- 10- phenylpyrimido[4,5- b]quinoline- 2,4(3H,10H)- dione
Smiles: CCCCn1c(=O)nc2c(c1=O)cc1c(n2c2ccccc2)cccc1Cl

STK554605
Synonyms: 3- tert- butyl- 7- {[3- (3- methylpiperidin- 1- yl)propyl]amino}- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: CC1CCCN(C1)CCCNc1cc2oc3cc(ccc3[nH]c2c2c1c(=O)c1c(c2=O)cccc1)C(C)(C)C

STK554606
Synonyms: 2'- (2,4- dimethoxyphenyl)- 7'- methoxy- 1- (propan- 2- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: COc1ccc(c(c1)OC)C1=NN2C(C1)c1cccc(c1OC12CCN(CC1)C(C)C)OC

STK554607
Synonyms: 3- [(4- tert- butylbenzyl)sulfanyl]- 5- (4- chlorophenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazole
Smiles: Cc1ccc(cc1)n1c(SCc2ccc(cc2)C(C)(C)C)nnc1c1ccc(cc1)Cl

STK554608
Synonyms: 2'- (2,4- dimethoxyphenyl)- 7'- methoxy- 1- methyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: COc1ccc(c(c1)OC)C1=NN2C(C1)c1cccc(c1OC12CCN(CC1)C)OC

STK554609
Synonyms: 8- (benzyloxy)- 5- propyl- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinoline
Smiles: CCCc1nc2sc3c(c2c2c1CCCC2)ncnc3OCc1ccccc1

STK554611
Synonyms: 3- (3- methoxyphenyl)- 5- (4- nitrophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1cccc(c1)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK554612
Synonyms: N- [4- (benzyloxy)phenyl]- 2- {[4- (4- methylphenyl)- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)OCc1ccccc1)CSc1nnc(n1c1ccc(cc1)C)c1ccncc1

STK554614
Synonyms: 8- (benzyloxy)- 5- (propan- 2- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinoline
Smiles: CC(c1nc2sc3c(c2c2c1CCCC2)ncnc3OCc1ccccc1)C

STK554615
Synonyms: 4- acetyl- 5- hydroxy- 3- (4- methoxyphenyl)cyclohex- 4- ene- 1,1,2,2- tetracarbonitrile
Smiles: COc1ccc(cc1)C1C(=C(O)CC(C1(C#N)C#N)(C#N)C#N)C(=O)C

STK554617
Synonyms: 3- butyl- 10- (4- ethylphenyl)pyrimido[4,5- b]quinoline- 2,4(3H,10H)- dione
Smiles: CCCCn1c(=O)nc2c(c1=O)cc1c(n2c2ccc(cc2)CC)cccc1

STK554619
Synonyms: 3,3'- (hydroxyimino)bis[1- (naphthalen- 1- yl)pyrrolidine- 2,5- dione]
Smiles: ON(C1CC(=O)N(C1=O)c1cccc2c1cccc2)C1CC(=O)N(C1=O)c1cccc2c1cccc2

STK554620
Synonyms: ethyl5- methoxy- 1,2- dimethyl- 4- [(thiophen- 2- ylcarbonyl)amino]- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c2c(NC(=O)c3cccs3)c(OC)ccc2n(c1C)C

STK554621
Synonyms: methyl3- ({[4- (5- chloro- 2- methylphenyl)piperazin- 1- yl]acetyl}amino)- 6- methoxy- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)c1cc(Cl)ccc1C)ccc(c2)OC

STK554622
Synonyms: 2- [(3- chlorobenzyl)sulfanyl]- 3- (4- chlorophenyl)quinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)n1c(SCc2cccc(c2)Cl)nc2c(c1=O)cccc2

STK554623
Synonyms: 8- {[(2E)- 3- chlorobut- 2- en- 1- yl]sulfanyl}- 5- (propan- 2- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinoline
Smiles: C/C(=C\CSc1ncnc2c1sc1c2c2CCCCc2c(n1)C(C)C)/Cl

STK554624
Synonyms: (1E)- N- {[(2- fluorophenyl)carbamoyl]oxy}ethanimidoylchloride
Smiles: O=C(Nc1ccccc1F)O/N=C(/Cl)\C

STK554625
Synonyms: 5- (furan- 2- yl)- 2,2- dimethyl- N- (3- methylbutyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- amine
Smiles: CC(CCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccco1)C

STK554626
Synonyms: (2'S,3'S)- 3'- acetyl- 2'- phenyl- 2',3'- dihydro- 10b'H- spiro[indene- 2,1'- pyrrolo[2,1- a]phthalazine]- 1,3- dione
Smiles: CC(=O)[C@H]1N2N=Cc3c(C2[C@@]2([C@@H]1c1ccccc1)C(=O)c1c(C2=O)cccc1)cccc3

STK554628
Synonyms: 2- {[4- (4- bromophenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (4- chloro- 2- methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1C)Cl)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1

STK554629
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,6- dichlorophenyl)acetamide
Smiles: O=C(Nc1c(Cl)cccc1Cl)CSc1nnc(n1c1ccc(cc1)Cl)c1ccncc1

STK554630
Synonyms: (2Z)- 6- (2- chlorobenzyl)- 2- [(2- methyl- 2H- chromen- 3- yl)methylidene]- 7H- [1,3]thiazolo[3,2- b][1,2,4]triazine- 3,7(2H)- dione
Smiles: CC1Oc2ccccc2C=C1/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1Cl

STK554631
Synonyms: (8S,8aR,11aS,11bS)- 8- acetyl- 10- (4- acetylphenyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: CC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2c2ccccc2C=N1)C(=O)C

STK554633
Synonyms: N- (2- bromo- 4- methylphenyl)- 2- {[3- (4- methylphenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}acetamide
Smiles: Cc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2Br)C)nc2c(c1=O)cccc2

STK554634
Synonyms: methyl5- fluoro- 3- ({3- [4- (2- methoxyphenyl)piperazin- 1- yl]propanoyl}amino)- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)c1ccccc1OC)cc(cc2)F

STK554635
Synonyms: methyl3- ({[4- (pyridin- 2- yl)piperazin- 1- yl]acetyl}amino)- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)c1ccccn1)cccc2

STK554636
Synonyms: 2- {[3- (4- bromophenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}- N- (4- chloro- 2- methylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1C)Cl)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Br

STK554637
Synonyms: N- (2- bromophenyl)- 2- {[4- (4- chlorophenyl)- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1Br)CSc1nnc(n1c1ccc(cc1)Cl)c1ccncc1

STK554638
Synonyms: N- (4- chloro- 2- methylphenyl)- 2- {[5- (4- chlorophenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: Cc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2C)Cl)nnc1c1ccc(cc1)Cl

STK554639
Synonyms: 4- {(1E)- 2- (acetylamino)- 3- [(furan- 2- ylmethyl)amino]- 3- oxoprop- 1- en- 1- yl}phenyl4- methylbenzenesulfonate
Smiles: CC(=O)N/C(=C/c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)/C(=O)NCc1ccco1

STK554640
Synonyms: 5- (3- chloro- 2- methylphenyl)- 2- phenyl- 3- (thiophen- 2- yl)dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: O=C1C2ON(C(C2C(=O)N1c1cccc(c1C)Cl)c1cccs1)c1ccccc1

STK554641
Synonyms: (2E)- 2- {4- [2- (4- chloro- 3- methylphenoxy)ethoxy]- 3- methoxybenzylidene}[1,3]thiazolo[3,2- a]benzimidazol- 3(2H)- one
Smiles: COc1cc(ccc1OCCOc1ccc(c(c1)C)Cl)/C=c\1/sc2n(c1=O)c1c(n2)cccc1

STK554642
Synonyms: N- (3,4- dichlorophenyl)- 2- {[3- (4- methylphenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(c(c1)Cl)Cl)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)C

STK554643
Synonyms: methyl(1S,2S,3S)- 3- cyano- 2- (3,4- dimethoxyphenyl)- 1- (2,2- dimethylpropanoyl)- 1,2,3,3a- tetrahydropyrrolo[1,2- a]quinoline- 3- carboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@H](c2ccc(c(c2)OC)OC)[C@H](N2C1C=Cc1c2cccc1)C(=O)C(C)(C)C

STK554645
Synonyms: methyl3- {[(4- benzylpiperazin- 1- yl)acetyl]amino}- 6- methoxy- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)Cc1ccccc1)ccc(c2)OC

STK554646
Synonyms: methyl(1R,2R,3R,3aS)- 3- cyano- 1- (2,2- dimethylpropanoyl)- 2- (furan- 2- yl)- 1,2,3,3a- tetrahydropyrrolo[1,2- a]quinoline- 3- carboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@@H]2C=Cc3c(N2[C@H]([C@@H]1c1ccco1)C(=O)C(C)(C)C)cccc3

STK554647
Synonyms: (2Z)- 2- (4- bromobenzylidene)- 6- (3,4- dimethoxybenzyl)- 7H- [1,3]thiazolo[3,2- b][1,2,4]triazine- 3,7(2H)- dione
Smiles: COc1ccc(cc1OC)Cc1nn2c(nc1=O)s/c(=C\c1ccc(cc1)Br)/c2=O

STK554648
Synonyms: (5E)- 5- (3,4- diethoxybenzylidene)- 2,3- diphenyl- 3,5- dihydro- 4H- imidazol- 4- one
Smiles: CCOc1cc(ccc1OCC)/C=C\1/N=C(N(C1=O)c1ccccc1)c1ccccc1

STK554649
Synonyms: 2- {[3- (4- chlorophenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}- N- (1H- indazol- 6- yl)acetamide
Smiles: O=C(Nc1ccc2c(c1)[nH]nc2)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl

STK554651
Synonyms: methyl3- {[3- (3,5- dimethylpiperidin- 1- yl)propanoyl]amino}- 5- fluoro- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CC(C)CC(C1)C)cc(cc2)F

STK554652
Synonyms: N- (4- chlorophenyl)- 2- [(10- phenyl- 8,9- dihydro- 7H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nnc2n1cnc1c2sc2c1c1CCCc1c(n2)c1ccccc1

STK554653
Synonyms: 4- [({[3- (4- chlorophenyl)- 4- oxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetyl)amino]benzamide
Smiles: O=C(Nc1ccc(cc1)C(=O)N)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCCC3

STK554654
Synonyms: 1- ethyl- 7'- methoxy- 2'- (pyridin- 3- yl)- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCN1CCC2(CC1)Oc1c(OC)cccc1C1N2N=C(C1)c1cccnc1

STK554655
Synonyms: 2- {[5- (furan- 2- yl)- 2,2- dimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]sulfanyl}- N- (4- methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccco1

STK554656
Synonyms: N- (3,5- dimethylphenyl)- 2- {[3- (4- methoxyphenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2cc(C)cc(c2)C)nc2c(c1=O)cccc2

STK554657
Synonyms: (1'S,2'S,3R,3a'R)- 2'- [(4- methoxyphenyl)carbonyl]- 1'- (phenylcarbonyl)- 1',2'- dihydro- 3a'H- spiro[indole- 3,3'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: COc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2)N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1

STK554659
Synonyms: 3- [hydroxy(phenyl)amino]- 1- [4- (pentyloxy)phenyl]pyrrolidine- 2,5- dione
Smiles: CCCCCOc1ccc(cc1)N1C(=O)CC(C1=O)N(c1ccccc1)O

STK554660
Synonyms: (3- nitrophenyl)[(1S,2R,3S,3aR)- 3- nitro- 2- phenyl- 1,2,3,3a- tetrahydropyrrolo[1,2- a]quinolin- 1- yl]methanone
Smiles: [O-][N+](=O)[C@H]1[C@H](c2ccccc2)[C@H](N2[C@@H]1C=Cc1c2cccc1)C(=O)c1cccc(c1)[N+](=O)[O-]

STK554662
Synonyms: (5Z)- 3- (naphthalen- 2- yl)- 5- (pyridin- 2- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: S=C1S/C(=C\c2ccccn2)/C(=O)N1c1ccc2c(c1)cccc2

STK554663
Synonyms: 4- [(1E)- 2- (acetylamino)- 3- (butylamino)- 3- oxoprop- 1- en- 1- yl]phenyl4- methylbenzenesulfonate
Smiles: CCCCNC(=O)/C(=C\c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)/NC(=O)C

STK554664
Synonyms: N- (4- bromo- 2- methylphenyl)- 2- {[4- (4- ethoxyphenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2C)Br)nnc1c1cccnc1

STK554665
Synonyms: (2Z)- 6- (3,4- dimethoxybenzyl)- 2- [(3- methylthiophen- 2- yl)methylidene]- 7H- [1,3]thiazolo[3,2- b][1,2,4]triazine- 3,7(2H)- dione
Smiles: COc1cc(ccc1OC)Cc1nn2c(nc1=O)s/c(=C\c1sccc1C)/c2=O

STK554666
Synonyms: 3- [(1,3- benzodioxol- 5- ylmethyl)sulfanyl]- 10- (propan- 2- yl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CC(C1OCc2c(C1)c1c(s2)ncn2c1nnc2SCc1ccc2c(c1)OCO2)C

STK554667
Synonyms: 2- {[3- (4- bromophenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}- N- (2- methylphenyl)acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Br

STK554668
Synonyms: propan- 2- yl{[3- (4- chlorophenyl)- 4- oxo- 3,5,6,7- tetrahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetate
Smiles: CC(OC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3)C

STK554669
Synonyms: 2,2'- [(11- tert- butyl- 10,11,12,13- tetrahydro[1]benzothieno[3,2- e]bis[1,2,4]triazolo[4,3- a:4',3'- c]pyrimidine- 3,7- diyl)disulfanediyl]diacetamide
Smiles: NC(=O)CSc1nnc2n1c1sc3c(c1c1n2c(SCC(=O)N)nn1)CCC(C3)C(C)(C)C

STK554670
Synonyms: 4- ({[3- (4- bromophenyl)- 4- oxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl]sulfanyl}methyl)benzonitrile
Smiles: N#Cc1ccc(cc1)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Br)CCCC3

STK554672
Synonyms: 3,3'- (hydroxyimino)bis[1- (4- nitrophenyl)pyrrolidine- 2,5- dione]
Smiles: ON(C1CC(=O)N(C1=O)c1ccc(cc1)[N+](=O)[O-])C1CC(=O)N(C1=O)c1ccc(cc1)[N+](=O)[O-]

STK554673
Synonyms: 7- ({3- [(2- hydroxyethyl)(methyl)amino]propyl}amino)- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: OCCN(CCCNc1cc2oc3ccccc3[nH]c2c2c1c(=O)c1ccccc1c2=O)C

STK554674
Synonyms: (2Z)- 6- (3,4- dimethoxybenzyl)- 2- [4- (dimethylamino)benzylidene]- 7H- [1,3]thiazolo[3,2- b][1,2,4]triazine- 3,7(2H)- dione
Smiles: COc1ccc(cc1OC)Cc1nn2c(nc1=O)s/c(=C\c1ccc(cc1)N(C)C)/c2=O

STK554675
Synonyms: 3- (4- ethoxyphenyl)- 2- [(2- fluorobenzyl)sulfanyl]quinazolin- 4(3H)- one
Smiles: CCOc1ccc(cc1)n1c(SCc2ccccc2F)nc2c(c1=O)cccc2

STK554676
Synonyms: 2- {[2- (4- fluorophenyl)- 2- oxoethyl]sulfanyl}- 3- (4- methylphenyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: Cc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)F)nc2c(c1=O)c1CCCCc1s2

STK554677
Synonyms: methyl2- [(5- bromopyridin- 2- yl)amino]- 3,3,3- trifluoro- N- [(3- fluorophenyl)carbonyl]alaninate
Smiles: COC(=O)C(C(F)(F)F)(NC(=O)c1cccc(c1)F)Nc1ccc(cn1)Br

STK554678
Synonyms: N- (1,3- benzodioxol- 5- ylmethyl)- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: O=c1ccc(co1)C(=O)NCc1ccc2c(c1)OCO2

STK554679
Synonyms: 2- [(E)- 2- (4- chloro- 2- nitrophenyl)ethenyl]- 6- iodo- 3- (4- methylphenyl)quinazolin- 4(3H)- one
Smiles: Cc1ccc(cc1)n1c(/C=C/c2ccc(cc2[N+](=O)[O-])Cl)nc2c(c1=O)cc(cc2)I

STK554680
Synonyms: 2- (phenoxymethyl)- 3- {[(E)- phenylmethylidene]amino}quinazolin- 4(3H)- one
Smiles: O=c1n(/N=C/c2ccccc2)c(COc2ccccc2)nc2c1cccc2

STK554681
Synonyms: (2Z)- 6- (3,4- dimethoxybenzyl)- 2- (3,4,5- trimethoxybenzylidene)- 7H- [1,3]thiazolo[3,2- b][1,2,4]triazine- 3,7(2H)- dione
Smiles: COc1ccc(cc1OC)Cc1nn2c(nc1=O)s/c(=C\c1cc(OC)c(c(c1)OC)OC)/c2=O

STK554682
Synonyms: N- (3,4- difluorophenyl)- 2- {[3- (4- ethoxyphenyl)- 4- oxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(c(c2)F)F)nc2c(c1=O)c1CCCCc1s2

STK554684
Synonyms: methyl(1S,2S,3S)- 3- cyano- 1- (2,2- dimethylpropanoyl)- 2- (4- nitrophenyl)- 1,2,3,3a- tetrahydropyrrolo[1,2- a]quinoline- 3- carboxylate
Smiles: COC(=O)[C@@]1(C#N)[C@H](c2ccc(cc2)[N+](=O)[O-])[C@H](N2C1C=Cc1c2cccc1)C(=O)C(C)(C)C

STK554685
Synonyms: N- [5- (acetylamino)- 2- methoxyphenyl]- 2- {[3- (4- chlorophenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1NC(=O)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl)NC(=O)C

STK554687
Synonyms: 8- chloro- 3- ({(E)- [4- (propan- 2- yl)phenyl]methylidene}amino)- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: Clc1ccc2c(c1)c1ncn(c(=O)c1[nH]2)/N=C/c1ccc(cc1)C(C)C

STK554688
Synonyms: (2Z)- 6- (2- chlorobenzyl)- 2- (4- fluorobenzylidene)- 7H- [1,3]thiazolo[3,2- b][1,2,4]triazine- 3,7(2H)- dione
Smiles: Fc1ccc(cc1)/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1Cl

STK554689
Synonyms: (8S,8aR,11aS,11bS)- 8- acetyl- 10- (2- methoxy- 5- nitrophenyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: COc1ccc(cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)C)N=Cc2c1cccc2)[N+](=O)[O-]

STK554691
Synonyms: 2- {[3- (4- chlorophenyl)- 4- oxo- 3,5,6,7- tetrahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}- N- (4- ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3

STK554692
Synonyms: 2- {[5- (4- chlorophenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (1H- indazol- 6- yl)acetamide
Smiles: O=C(Nc1ccc2c(c1)[nH]nc2)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)Cl

STK554693
Synonyms: 3- butyl- 6- chloro- 10- (4- chlorophenyl)pyrimido[4,5- b]quinoline- 2,4(3H,10H)- dione
Smiles: CCCCn1c(=O)nc2c(c1=O)cc1c(n2c2ccc(cc2)Cl)cccc1Cl

STK554695
Synonyms: 6,8- dichloro- 9- (diethylamino)- 1,4- dioxaspiro[4.4]non- 8- en- 7- one
Smiles: CCN(C1=C(Cl)C(=O)C(C21OCCO2)Cl)CC

STK554696
Synonyms: ethyl4- (6- butyl- 3- methyl- 5,7- dioxo- 1- phenyl- 1,5,6,7- tetrahydro- 9H- pyrazolo[4',3':5,6]pyrido[2,3- d]pyrimidin- 9- yl)benzoate
Smiles: CCCCn1c(=O)nc2c(c1=O)cc1c(n2c2ccc(cc2)C(=O)OCC)n(nc1C)c1ccccc1

STK554697
Synonyms: methyl3- [(2- bromohexanoyl)amino]- 5- methyl- 1H- indole- 2- carboxylate
Smiles: CCCCC(C(=O)Nc1c([nH]c2c1cc(C)cc2)C(=O)OC)Br

STK554698
Synonyms: 3- (biphenyl- 4- yl)- 1- (2- hydroxyethyl)- 7,9- dimethyl- 4- phenyl- 1,4- dihydro[1,2,4]triazino[3,4- f]purine- 6,8(7H,9H)- dione
Smiles: OCCN1N=C(c2ccc(cc2)c2ccccc2)C(n2c1nc1c2c(=O)n(c(=O)n1C)C)c1ccccc1

STK554699
Synonyms: 2- phenyl- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclohexane]
Smiles: c1ccc(cc1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCCC2

STK554700
Synonyms: 2- [(5- ethyl- 10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl)sulfanyl]- N- [(1- phenylcyclopentyl)methyl]acetamide
Smiles: CCc1nc2sc3c(c2c2n1c(SCC(=O)NCC1(CCCC1)c1ccccc1)nn2)CC(OC3)(C)C

STK554702
Synonyms: 11- (2,3- dimethoxyphenyl)- N- (3- methoxyphenyl)- 10- methyl- 8- (pyridin- 2- yl)- 8,11- dihydropyrazolo[3',4':4,5]pyrimido[1,2- a]quinoxalin- 6- amine
Smiles: COc1cccc(c1)Nc1nc2ccccc2n2c1=Nc1c(C2c2cccc(c2OC)OC)c(nn1c1ccccn1)C

STK554704
Synonyms: N- (2,6- dichlorophenyl)- 2- {[4- (4- ethoxyphenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1c1cccnc1

STK554705
Synonyms: 3- hydroxy- 2- [(2E)- 2- (3- hydroxybenzylidene)hydrazinyl]quinazolin- 4(3H)- one
Smiles: Oc1cccc(c1)/C=N/Nc1nc2ccccc2c(=O)n1O

STK554706
Synonyms: 2- {[4- (4- bromophenyl)- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (3,5- dimethylphenyl)acetamide
Smiles: O=C(Nc1cc(C)cc(c1)C)CSc1nnc(n1c1ccc(cc1)Br)c1ccncc1

STK554709
Synonyms: (1'S,2'S,3R,3a'R)- 2'- (furan- 2- ylcarbonyl)- 1'- (phenylcarbonyl)- 1',2'- dihydro- 3a'H- spiro[indole- 3,3'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: O=C([C@H]1N2c3ccccc3C=C[C@@H]2[C@]2([C@@H]1C(=O)c1ccco1)C(=O)Nc1c2cccc1)c1ccccc1

STK554710
Synonyms: 2- {[3- (4- bromophenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}- N- (2,5- dimethylphenyl)acetamide
Smiles: O=C(Nc1cc(C)ccc1C)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Br

STK554711
Synonyms: 7- ({3- [4- (2- methoxyphenyl)piperazin- 1- yl]propyl}amino)- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: COc1ccccc1N1CCN(CC1)CCCNc1cc2oc3ccccc3[nH]c2c2c1c(=O)c1ccccc1c2=O

STK554712
Synonyms: N'- (2,5- dioxo- 1- phenylpyrrolidin- 3- yl)undec- 10- enehydrazide
Smiles: C=CCCCCCCCCC(=O)NNC1CC(=O)N(C1=O)c1ccccc1

STK554713
Synonyms: 2- {[3- (4- chlorophenyl)- 4- oxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl]sulfanyl}- N- [4- (propan- 2- yl)phenyl]acetamide
Smiles: O=C(Nc1ccc(cc1)C(C)C)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCCC3

STK554714
Synonyms: 5- (3,4- dichlorophenyl)- 3- (3- nitrophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: O=C1N(c2ccc(c(c2)Cl)Cl)C(=O)C2C1C(c1cccc(c1)[N+](=O)[O-])N(O2)c1ccccc1

STK554715
Synonyms: (4aR,4bS,7aR,8S)- N- (4- chlorophenyl)- 6- (2,4- dichlorophenyl)- 5,7- dioxo- 4b,5,6,7,7a,8- hexahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 8- carboxamide
Smiles: Clc1ccc(cc1)NC(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1Cl)Cl

STK554717
Synonyms: 3- [hydroxy(phenyl)amino]- 1- (3- methylphenyl)pyrrolidine- 2,5- dione
Smiles: Cc1cccc(c1)N1C(=O)CC(C1=O)N(c1ccccc1)O

STK554718
Synonyms: 7- ({3- [benzyl(methyl)amino]propyl}amino)- 3- tert- butyl- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: CN(Cc1ccccc1)CCCNc1cc2oc3cc(ccc3[nH]c2c2c1c(=O)c1c(c2=O)cccc1)C(C)(C)C

STK554719
Synonyms: N- [5- (acetylamino)- 2- methoxyphenyl]- 2- {[4- (4- ethoxyphenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2cc(ccc2OC)NC(=O)C)nnc1c1cccnc1

STK554720
Synonyms: ethyl5,5- dimethyl- 2- [(phenylcarbamoyl)amino]- 4,7- dihydro- 5H- thieno[2,3- c]pyran- 3- carboxylate
Smiles: CCOC(=O)c1c(NC(=O)Nc2ccccc2)sc2c1CC(C)(C)OC2

STK554722
Synonyms: 9- (4- bromophenyl)- 6- butyl- 3- methyl- 1- phenyl- 1H- pyrazolo[4',3':5,6]pyrido[2,3- d]pyrimidine- 5,7(6H,9H)- dione
Smiles: CCCCn1c(=O)nc2c(c1=O)cc1c(n2c2ccc(cc2)Br)n(nc1C)c1ccccc1

STK554723
Synonyms: 11- (9- ethyl- 9H- carbazol- 3- yl)- 3- pentyl- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: CCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2c1ccc2c(c1)c1ccccc1n2CC

STK554724
Synonyms: methyl4- [({[3- (4- chlorophenyl)- 4- oxo- 3,5,6,7- tetrahydro- 4H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetyl)amino]benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCC3

STK554726
Synonyms: N- (2,5- dimethylphenyl)- 2- {[3- (4- methylphenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(C)ccc1C)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)C

STK554727
Synonyms: 2- {[3- (4- chlorophenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}- N- [4- (propan- 2- yl)phenyl]acetamide
Smiles: O=C(Nc1ccc(cc1)C(C)C)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl

STK554728
Synonyms: 1,3- dimethyl- 2,6- diphenylpiperidin- 4- ol
Smiles: CC1C(O)CC(N(C1c1ccccc1)C)c1ccccc1

STK554729
Synonyms: 1- (2- bromophenyl)- 3- [hydroxy(phenyl)amino]pyrrolidine- 2,5- dione
Smiles: ON(C1CC(=O)N(C1=O)c1ccccc1Br)c1ccccc1

STK554730
Synonyms: 2- [(6,6- dimethyl- 4- oxo- 3- phenyl- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- (2,4- dimethylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1C)C)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CC(OC3)(C)C

STK554732
Synonyms: 3,3'- (hydroxyimino)bis[1- (2,6- dimethylphenyl)pyrrolidine- 2,5- dione]
Smiles: ON(C1CC(=O)N(C1=O)c1c(C)cccc1C)C1CC(=O)N(C1=O)c1c(C)cccc1C

STK554733
Synonyms: N- (2- bromo- 4,6- difluorophenyl)- 2- {[3- (4- chlorophenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1c(F)cc(cc1Br)F)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl

STK554734
Synonyms: 2- amino- N- (4- fluorobenzyl)- 1- (furan- 2- ylmethyl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: Fc1ccc(cc1)CNC(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1ccco1

STK554735
Synonyms: (2Z)- 6- (2- chlorobenzyl)- 2- (3,4- dimethoxybenzylidene)- 7H- [1,3]thiazolo[3,2- b][1,2,4]triazine- 3,7(2H)- dione
Smiles: COc1cc(ccc1OC)/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1Cl

STK554736
Synonyms: 1- benzyl- 2'- (2,4- dichlorophenyl)- 7'- methoxy- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: COc1cccc2c1OC1(CCN(CC1)Cc1ccccc1)N1C2CC(=N1)c1ccc(cc1Cl)Cl

STK554737
Synonyms: (3aS,4R,9aS,9bR)- 2- (4- bromophenyl)- 4- [(3- nitrophenyl)carbonyl]- 1,3- dioxo- 2,3,3a,4,9a,9b- hexahydro- 1H- pyrrolo[3,4- a]indolizine- 8- carbonitrile
Smiles: N#CC1=C[C@@H]2N(C=C1)[C@H]([C@@H]1[C@H]2C(=O)N(C1=O)c1ccc(cc1)Br)C(=O)c1cccc(c1)[N+](=O)[O-]

STK554738
Synonyms: dimethyl5- {[(4- butoxyphenyl)carbonyl]amino}- 3- methylthiophene- 2,4- dicarboxylate
Smiles: CCCCOc1ccc(cc1)C(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)OC

STK554740
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- (2,6- dichlorophenyl)acetamide
Smiles: COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1c(Cl)cccc1Cl

STK554741
Synonyms: 2- [(2,5- dimethylbenzyl)sulfanyl]- 3- (4- methylphenyl)quinazolin- 4(3H)- one
Smiles: Cc1ccc(cc1)n1c(SCc2cc(C)ccc2C)nc2c(c1=O)cccc2

STK554742
Synonyms: 7- {[3- (pyrrolidin- 1- yl)propyl]amino}- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: O=c1c2ccccc2c(=O)c2c1c1[nH]c3ccccc3oc1cc2NCCCN1CCCC1

STK554744
Synonyms: 7- {[3- (4- methylpiperazin- 1- yl)propyl]amino}- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: CN1CCN(CC1)CCCNc1cc2oc3ccccc3[nH]c2c2c1c(=O)c1ccccc1c2=O

STK554746
Synonyms: 3- bromo- N- [4- (4,4- dimethyl- 3,5- diphenyl- 4,5- dihydro- 1H- pyrazol- 1- yl)benzyl]aniline
Smiles: Brc1cccc(c1)NCc1ccc(cc1)N1N=C(C(C1c1ccccc1)(C)C)c1ccccc1

STK554748
Synonyms: 3,3'- (hydroxyimino)bis[1- (4- bromophenyl)pyrrolidine- 2,5- dione]
Smiles: ON(C1CC(=O)N(C1=O)c1ccc(cc1)Br)C1CC(=O)N(C1=O)c1ccc(cc1)Br

STK554749
Synonyms: (6Z)- 6- {[5- (4- fluorophenyl)furan- 2- yl]methylidene}- 5- imino- 2- [2- oxo- 2- (piperidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Fc1ccc(cc1)c1ccc(o1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCCC1

STK554750
Synonyms: N'- [(E)- (5- chloro- 3- methyl- 1- phenyl- 1H- pyrazol- 4- yl)methylidene]- 2- (5- methyl- 1H- pyrazol- 1- yl)acetohydrazide
Smiles: O=C(Cn1nccc1C)N/N=C/c1c(C)nn(c1Cl)c1ccccc1

STK554751
Synonyms: 3- ({(E)- [4- (dimethylamino)phenyl]methylidene}amino)- 7- methoxy- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)/N=C/c1ccc(cc1)N(C)C

STK554752
Synonyms: 9- bromo- 5- (4- methoxyphenyl)- 2- (5- methylthiophen- 2- yl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: COc1ccc(cc1)C1Oc2ccc(cc2C2N1N=C(C2)c1ccc(s1)C)Br

STK554755
Synonyms: N- (4- ethoxyphenyl)- 2- [(5- oxo- 4- phenyl- 4,5,6,7,8,9- hexahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl)sulfanyl]acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCCC3

STK554757
Synonyms: 2- {[6- ethyl- 6- methyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}- N- (3- methylphenyl)acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2cccc(c2)C)c2c(n1)sc1c2CC(OC1)(C)CC

STK554758
Synonyms: 3- (2- methoxyphenyl)- 6- (2- methylphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: COc1ccccc1c1nnc2n1nc(s2)c1ccccc1C

STK554759
Synonyms: 5- (4- chlorophenyl)- 3- (2,5- dimethoxyphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1ccc(c(c1)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(cc1)Cl)OC

STK554760
Synonyms: 11- (ethylsulfanyl)- 1- [(3- methylbutyl)sulfanyl]- 5H- spiro[benzo[h][1,2,4]triazolo[4,3- c]quinazoline- 4,1'- cyclopentane]
Smiles: CCSc1nc2c3ccccc3CC3(c2c2n1c(SCCC(C)C)nn2)CCCC3

STK554761
Synonyms: (6Z)- 5- imino- 6- {4- [2- (4- methylphenoxy)ethoxy]benzylidene}- 2- [2- oxo- 2- (piperidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1ccc(cc1)OCCOc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCCC1

STK554762
Synonyms: (8S,8aR,11aS,11bS)- 10- (4- fluorophenyl)- 9,11- dioxo- N- phenyl- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 8- carboxamide
Smiles: Fc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)Nc2ccccc2)C=Cc2c1cccc2

STK554763
Synonyms: 2- [(naphthalen- 2- yloxy)methyl]- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclopentane]
Smiles: c1ccc2c(c1)CC1(c3c2ncn2c3nc(n2)COc2ccc3c(c2)cccc3)CCCC1

STK554764
Synonyms: N,N- diethyl- 2- {[4- (3- methoxyphenyl)- 5- oxo- 5,7- dihydro- 4H- spiro[benzo[h][1,2,4]triazolo[4,3- a]quinazoline- 6,1'- cyclohexan]- 1- yl]sulfanyl}acetamide
Smiles: COc1cccc(c1)n1c2nnc(n2c2c(c1=O)C1(CCCCC1)Cc1c2cccc1)SCC(=O)N(CC)CC

STK554765
Synonyms: 3- [(Z)- (3- ethyl- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene)methyl]- 2- [(2- hydroxy- 2- phenylethyl)amino]- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: CCN1C(=S)S/C(=C\c2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3)/C1=O

STK554766
Synonyms: (5Z)- 5- {[5- (2,5- dichlorophenyl)furan- 2- yl]methylidene}- 2- [4- (2- nitrophenyl)piperazin- 1- yl]- 1,3- thiazol- 4(5H)- one
Smiles: Clc1ccc(c(c1)c1ccc(o1)/C=C/1\SC(=NC1=O)N1CCN(CC1)c1ccccc1[N+](=O)[O-])Cl

STK554767
Synonyms: 3- butyl- 8,8- dimethyl- 7,10- dihydro- 8H- thiopyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 4(3H)- one
Smiles: CCCCn1cnc2c(c1=O)sc1c2cc2c(n1)CC(SC2)(C)C

STK554768
Synonyms: 4- {[(4aS,4bR,7aS,8R)- 6- (3- nitrophenyl)- 5,7- dioxo- 4b,5,6,7,7a,8- hexahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazin- 8- yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2N=CC=C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1cccc(c1)[N+](=O)[O-]

STK554770
Synonyms: 2- [(8,8- dimethyl- 7,10- dihydro- 8H- pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 4- yl)sulfanyl]- N- (3- methylphenyl)acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1ncnc2c1sc1c2cc2c(n1)CC(OC2)(C)C

STK554771
Synonyms: 6- (4- ethoxyphenyl)- 3- (furan- 2- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccco1

STK554772
Synonyms: 1- [(3,4- dimethoxybenzyl)oxy]- 3- (3- nitrophenyl)quinoxalin- 2(1H)- one4- oxide
Smiles: COc1cc(ccc1OC)COn1c2ccccc2[n+](c(c1=O)c1cccc(c1)[N+](=O)[O-])[O-]

STK554774
Synonyms: (6Z)- 6- {[1- (1,3- benzodioxol- 5- ylmethyl)- 1H- indol- 3- yl]methylidene}- 5- imino- 2- (pentan- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCC(c1nn2c(=NC(=O)/C(=C\c3cn(c4c3cccc4)Cc3ccc4c(c3)OCO4)/C2=N)s1)CC

STK554775
Synonyms: 3- [(1E)- 2- (4- ethoxyphenyl)- 2- oxo- 1- (2- phenylhydrazinylidene)ethyl]quinoxalin- 2(1H)- one
Smiles: CCOc1ccc(cc1)C(=O)/C(=N/Nc1ccccc1)/c1nc2ccccc2[nH]c1=O

STK554776
Synonyms: N- (2- chlorophenyl)- 2- {[3- (2- methylprop- 2- en- 1- yl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccccc1Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCCC3

STK554777
Synonyms: (6Z)- 6- {[5- (3- chlorophenyl)furan- 2- yl]methylidene}- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Clc1cccc(c1)c1ccc(o1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK554778
Synonyms: 10- (morpholin- 4- yl)- 8,9- dihydro- 7H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: O1CCN(CC1)c1nc2sc3c(c2c2c1CCC2)ncn1c3ncn1

STK554779
Synonyms: N- (4- bromophenyl)- 2- {[6- ethyl- 6- methyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2ccc(cc2)Br)c2c(n1)sc1c2CC(OC1)(C)CC

STK554781
Synonyms: N- (4- chlorophenyl)- 2- {[3- (2- methylprop- 2- en- 1- yl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(=C)C)CCCCC3

STK554782
Synonyms: (4aR,4bS,7aR,8S)- 8- [(3,4- dimethoxyphenyl)carbonyl]- 6- (2- methoxyphenyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: COc1cc(ccc1OC)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1OC

STK554783
Synonyms: 3- (2- chloroquinolin- 3- yl)- 5- (4- methylphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Cc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cc2ccccc2nc1Cl

STK554785
Synonyms: (6Z)- 6- {3- chloro- 4- [(2- fluorobenzyl)oxy]- 5- methoxybenzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(cc(c1OCc1ccccc1F)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK554786
Synonyms: 3- (4- chlorophenyl)- 5- (naphthalen- 2- yl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Clc1ccc(cc1)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc2c(c1)cccc2

STK554787
Synonyms: 5- (4- chlorophenyl)- 3- (2- hydroxy- 4- nitrophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Clc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1O)[N+](=O)[O-]

STK554788
Synonyms: N~2~- (4- methoxyphenyl)- 5- nitro- N~4~- (tetrahydrofuran- 2- ylmethyl)pyrimidine- 2,4,6- triamine
Smiles: COc1ccc(cc1)Nc1nc(N)c(c(n1)NCC1CCCO1)[N+](=O)[O-]

STK554789
Synonyms: 4- [(8S,8aR,11aS,11bS)- 9,11- dioxo- 8- (phenylcarbonyl)- 8a,9,11a,11b- tetrahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinolin- 10(11H)- yl]phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2c2ccccc2C=C1)C(=O)c1ccccc1

STK554790
Synonyms: 2,5- diphenyl- 3- (pyridin- 3- yl)dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: O=C1N(c2ccccc2)C(=O)C2C1C(c1cccnc1)N(O2)c1ccccc1

STK554792
Synonyms: 9- bromo- 5- [4- (hexyloxy)- 3- methoxyphenyl]- 2- (5- methylfuran- 2- yl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: CCCCCCOc1ccc(cc1OC)C1Oc2ccc(cc2C2N1N=C(C2)c1ccc(o1)C)Br

STK554793
Synonyms: (6Z)- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 6- [4- (2- phenoxyethoxy)benzylidene]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)OCCOc3ccccc3)/C2=N)s1

STK554794
Synonyms: 3- (3- ethoxyphenyl)- 6- (4- methoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)c1ccc(cc1)OC

STK554795
Synonyms: 2- ({[4- (4- chlorophenyl)- 5- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}methyl)- 1H- benzimidazole
Smiles: COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Cl)SCc1nc2c([nH]1)cccc2

STK554796
Synonyms: N- [4- (butan- 2- yl)phenyl]- 2- {[5- (4- chlorophenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCC(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)Cl)C

STK554797
Synonyms: 3- (4- nitrophenyl)- 2,5- diphenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: O=C1N(c2ccccc2)C(=O)C2C1C(c1ccc(cc1)[N+](=O)[O-])N(O2)c1ccccc1

STK554798
Synonyms: 4- [3- (4- chlorophenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazol- 6- yl]- N,N- diethylaniline
Smiles: CCN(c1ccc(cc1)c1sc2n(n1)c(nn2)c1ccc(cc1)Cl)CC

STK554799
Synonyms: 6- iodo- 3- (4- methoxyphenyl)- 2- {[2- (morpholin- 4- yl)- 2- oxoethyl]sulfanyl}quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)n1c(SCC(=O)N2CCOCC2)nc2c(c1=O)cc(cc2)I

STK554803
Synonyms: 5- nitro- N~2~- (2- phenylethyl)- 6- (piperidin- 1- yl)pyrimidine- 2,4- diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCC1)NCCc1ccccc1

STK554804
Synonyms: (6Z)- 5- imino- 6- {[5- (3- nitrophenyl)furan- 2- yl]methylidene}- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(o3)c3cccc(c3)[N+](=O)[O-])/C2=N)s1

STK554805
Synonyms: N- (3- chloro- 2- methylphenyl)- 2- {[4- oxo- 3- (2- phenylethyl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1C)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCCC3

STK554806
Synonyms: (5- methoxy- 2- methyl- 1H- indol- 3- yl)[3- methyl- 4- (3- methylphenyl)piperazin- 1- yl]methanone
Smiles: COc1ccc2c(c1)c(c([nH]2)C)C(=O)N1CCN(C(C1)C)c1cccc(c1)C

STK554807
Synonyms: 3- (3- chlorophenyl)- 6- (3- ethoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nn2c(s1)nnc2c1cccc(c1)Cl

STK554808
Synonyms: N- carbamimidoyl- 4- ({(Z)- 2- cyano- 2- [4- (3- nitrophenyl)- 1,3- thiazol- 2- yl]ethenyl}amino)benzenesulfonamide
Smiles: N#C/C(=C/Nc1ccc(cc1)S(=O)(=O)NC(=N)N)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

STK554809
Synonyms: 2- methoxy- 6- {4- [(2- methylcyclohexyl)amino]quinazolin- 2- yl}phenol
Smiles: COc1cccc(c1O)c1nc(NC2CCCCC2C)c2c(n1)cccc2

STK554810
Synonyms: 2- (4- {[2- (morpholin- 4- yl)ethyl]amino}quinazolin- 2- yl)phenol
Smiles: Oc1ccccc1c1nc(NCCN2CCOCC2)c2c(n1)cccc2

STK554811
Synonyms: 2- {[5- (benzylsulfanyl)- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}- N- (naphthalen- 1- yl)acetamide
Smiles: O=C(Nc1cccc2c1cccc2)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCCc2s1

STK554812
Synonyms: (8S,8aR,11aS,11bS)- 10- (4- nitrophenyl)- 9,11- dioxo- N- phenyl- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 8- carboxamide
Smiles: O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1ccc(cc1)[N+](=O)[O-])Nc1ccccc1

STK554813
Synonyms: (4aR,4bS,7aR,8S)- 8- [(3,4- dimethoxyphenyl)carbonyl]- 6- (4- methylphenyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: COc1cc(ccc1OC)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)C

STK554816
Synonyms: (6Z)- 6- [3- chloro- 4- (3- phenoxypropoxy)benzylidene]- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(c(c1)Cl)OCCCOc1ccccc1)c1cccnc1

STK554818
Synonyms: methyl{[3- (4- ethoxyphenyl)- 6,6- dimethyl- 4- oxo- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetate
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)OC)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK554819
Synonyms: (6Z)- 6- [3- ethoxy- 4- (3- phenoxypropoxy)benzylidene]- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(ccc1OCCCOc1ccccc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK554821
Synonyms: 10- ethyl- 10- methyl- 3- (methylsulfanyl)- 5- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SC)nn2)CC(OC3)(C)CC

STK554823
Synonyms: N- (3- chlorophenyl)- 2- {[6- ethyl- 6- methyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2cccc(c2)Cl)c2c(n1)sc1c2CC(OC1)(C)CC

STK554824
Synonyms: 6- (2- chlorophenyl)- 3- (3- chlorophenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Clc1cccc(c1)c1nnc2n1nc(s2)c1ccccc1Cl

STK554828
Synonyms: 5- nitro- 2- (piperidin- 1- yl)- N- (tetrahydrofuran- 2- ylmethyl)pyrimidine- 4,6- diamine
Smiles: [O-][N+](=O)c1c(NCC2CCCO2)nc(nc1N)N1CCCCC1

STK554829
Synonyms: 6- (4- ethylpiperazin- 1- yl)- N~2~- (3- fluorophenyl)- 5- nitropyrimidine- 2,4- diamine
Smiles: CCN1CCN(CC1)c1nc(Nc2cccc(c2)F)nc(c1[N+](=O)[O-])N

STK554830
Synonyms: 2- imino- 1- (4- methylbenzyl)- 5- oxo- N- (1- phenylethyl)- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: Cc1ccc(cc1)Cn1c(=N)c(cc2c1nc1ccccn1c2=O)C(=O)NC(c1ccccc1)C

STK554831
Synonyms: 2- {[5- (3- bromophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (2- methoxyphenyl)methylidene]acetohydrazide
Smiles: COc1ccccc1/C=N/NC(=O)CSc1nnc(n1c1ccccc1)c1cccc(c1)Br

STK554832
Synonyms: 5- nitro- 2- (pyrrolidin- 1- yl)- N- (tetrahydrofuran- 2- ylmethyl)pyrimidine- 4,6- diamine
Smiles: [O-][N+](=O)c1c(NCC2CCCO2)nc(nc1N)N1CCCC1

STK554834
Synonyms: 2- {[10- ethyl- 10- methyl- 5- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}- N- (4- methoxyphenyl)acetamide
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1ccc(cc1)OC)nn2)CC(OC3)(C)CC

STK554836
Synonyms: (5Z)- 5- (2- chlorobenzylidene)- 2- [4- (2- methylphenyl)piperazin- 1- yl]- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C\c1ccccc1Cl)N1CCN(CC1)c1ccccc1C

STK554837
Synonyms: N- (3- chlorophenyl)- 2- {[10- ethyl- 10- methyl- 5- (methylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}acetamide
Smiles: CCC1(C)OCc2c(C1)c1c(s2)nc(n2c1nnc2SCC(=O)Nc1cccc(c1)Cl)SC

STK554838
Synonyms: N~4~- (4- ethoxyphenyl)- N~2~- (2- methylpropyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CCOc1ccc(cc1)Nc1nc(NCC(C)C)nc(c1[N+](=O)[O-])N

STK554839
Synonyms: 4- [({[3- (4- methylphenyl)- 4- oxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetyl)amino]benzoicacid
Smiles: O=C(Nc1ccc(cc1)C(=O)O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCC3

STK554840
Synonyms: 1- [(3,4- dimethoxybenzyl)oxy]- 3- (naphthalen- 1- yl)quinoxalin- 2(1H)- one4- oxide
Smiles: COc1cc(ccc1OC)COn1c2ccccc2[n+](c(c1=O)c1cccc2c1cccc2)[O-]

STK554841
Synonyms: 2- chloro- N- {[4- (4- methoxyphenyl)tetrahydro- 2H- pyran- 4- yl]methyl}benzamide
Smiles: COc1ccc(cc1)C1(CCOCC1)CNC(=O)c1ccccc1Cl

STK554842
Synonyms: N- [(2Z)- 3- [2- (morpholin- 4- yl)ethyl]- 4- [3- (morpholin- 4- ylsulfonyl)phenyl]- 1,3- thiazol- 2(3H)- ylidene]aniline
Smiles: O=S(=O)(c1cccc(c1)c1cs/c(=N\c2ccccc2)/n1CCN1CCOCC1)N1CCOCC1

STK554843
Synonyms: 5- ({4- [hydroxy(diphenyl)methyl]piperidin- 1- yl}carbonyl)- 2H- pyran- 2- one
Smiles: O=c1ccc(co1)C(=O)N1CCC(CC1)C(c1ccccc1)(c1ccccc1)O

STK554845
Synonyms: 2,2- diphenyl- N- (4- {[(2E)- 2- (3,4,5- trimethoxybenzylidene)hydrazinyl]carbonyl}phenyl)acetamide
Smiles: COc1cc(/C=N/NC(=O)c2ccc(cc2)NC(=O)C(c2ccccc2)c2ccccc2)cc(c1OC)OC

STK554847
Synonyms: 2- {[2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]sulfanyl}- N- (4- methoxyphenyl)propanamide
Smiles: COc1ccc(cc1)NC(=O)C(Sc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1)C

STK554848
Synonyms: N- [3,5- bis(trifluoromethyl)phenyl]- 2- {[4- (4- methylphenyl)- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)CSc1nnc(n1c1ccc(cc1)C)c1ccncc1

STK554849
Synonyms: 2- [(4- oxo- 3- propyl- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N- [2- (trifluoromethyl)phenyl]acetamide
Smiles: CCCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK554850
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (2,4- dichlorophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1ccc(cc1Cl)Cl

STK554851
Synonyms: 2- [(4- oxo- 3- phenyl- 3,4,6,7,8,9- hexahydropyrimido[4,5- b]quinolin- 2- yl)sulfanyl]- N,N- diphenylacetamide
Smiles: O=C(N(c1ccccc1)c1ccccc1)CSc1nc2nc3CCCCc3cc2c(=O)n1c1ccccc1

STK554853
Synonyms: 2- [(E)- {2- [4- (3- chlorophenyl)piperazin- 1- yl]- 4- oxo- 1,3- thiazol- 5(4H)- ylidene}methyl]phenylbenzenesulfonate
Smiles: Clc1cccc(c1)N1CCN(CC1)C1=NC(=O)/C(=C\c2ccccc2OS(=O)(=O)c2ccccc2)/S1

STK554854
Synonyms: N- (4- acetylphenyl)- 2- {[3- (3- chlorophenyl)- 4- oxo- 3,4,6,7,8,9- hexahydropyrimido[4,5- b]quinolin- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)C(=O)C)CSc1nc2nc3CCCCc3cc2c(=O)n1c1cccc(c1)Cl

STK554855
Synonyms: 2- [(4- bromobenzyl)sulfanyl]- 3- ethyl- 7- methyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CCn1c(SCc2ccc(cc2)Br)nc2c(c1=O)c1CCN(Cc1s2)C

STK554858
Synonyms: (6Z)- 2- (benzylsulfanyl)- 5- imino- 6- [(1- {2- [4- (propan- 2- yl)phenoxy]ethyl}- 1H- pyrrol- 2- yl)methylidene]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1cccn1CCOc1ccc(cc1)C(C)C)SCc1ccccc1

STK554859
Synonyms: 6- (biphenyl- 4- yl)- 3- (pyridin- 2- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: c1ccc(cc1)c1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccccn1

STK554862
Synonyms: (5Z)- 5- (3- fluorobenzylidene)- 2- [(3- hydroxyphenyl)amino]- 1,3- thiazol- 4(5H)- one
Smiles: Oc1cccc(c1)NC1=NC(=O)/C(=C/c2cccc(c2)F)/S1

STK554863
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(1E)- 1- (4- methylphenyl)ethylidene]- 5- (3- nitrophenyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Cc1ccc(cc1)/C(=N/NC(=O)c1nnn(c1c1cccc(c1)[N+](=O)[O-])c1nonc1N)/C

STK554865
Synonyms: 3- (2- methoxyethoxy)- 2- [(2- methoxyethyl)sulfanyl]quinazolin- 4(3H)- one
Smiles: COCCSc1nc2ccccc2c(=O)n1OCCOC

STK554866
Synonyms: 2- (4- chlorophenyl)- N'- [(E)- (4- fluorophenyl)methylidene]quinoline- 4- carbohydrazide
Smiles: Fc1ccc(cc1)/C=N/NC(=O)c1cc(nc2c1cccc2)c1ccc(cc1)Cl

STK554867
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- cyclohexylideneacetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)NN=C1CCCCC1

STK554868
Synonyms: (6E)- 5- imino- 6- {[1- (4- methylbenzyl)- 1H- indol- 3- yl]methylidene}- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1ccc(cc1)Cn1cc(c2c1cccc2)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK554869
Synonyms: 4- [1- (3,4- dimethylbenzyl)- 1H- benzimidazol- 2- yl]- 1- (2- methoxyphenyl)pyrrolidin- 2- one
Smiles: COc1ccccc1N1CC(CC1=O)c1nc2c(n1Cc1ccc(c(c1)C)C)cccc2

STK554870
Synonyms: N'- [(E)- (4- bromophenyl)methylidene]- 2- {[5- (3- nitrophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1cccc(c1)[N+](=O)[O-])N/N=C/c1ccc(cc1)Br

STK554871
Synonyms: 6- (3- bromophenyl)- 3- (4- ethoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)c1nnc2n1N=C(CS2)c1cccc(c1)Br

STK554872
Synonyms: N- {[2- (benzyloxy)phenyl](cyano)methyl}- 3- chloro- N- (2- methoxyphenyl)propanamide
Smiles: ClCCC(=O)N(c1ccccc1OC)C(c1ccccc1OCc1ccccc1)C#N

STK554873
Synonyms: 4- (diphenylphosphoryl)- 6- phenyl- 4,5- dihydropyridazin- 3(2H)- one
Smiles: O=C1NN=C(CC1P(=O)(c1ccccc1)c1ccccc1)c1ccccc1

STK554876
Synonyms: 3- (2- chlorophenyl)- 6- (3- chlorophenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Clc1cccc(c1)c1sc2n(n1)c(nn2)c1ccccc1Cl

STK554877
Synonyms: 4- (3- chlorophenyl)- 7,7- dimethyl- 1- [(2- oxo- 2- phenylethyl)sulfanyl]- 6,9- dihydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Clc1cccc(c1)n1c(=O)c2c3CC(C)(C)OCc3sc2n2c1nnc2SCC(=O)c1ccccc1

STK554878
Synonyms: ethyl3- [(1,3- benzodioxol- 5- ylcarbonyl)amino]- 5- methoxy- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)c1ccc3c(c1)OCO3)cc(cc2)OC

STK554879
Synonyms: ethyl(1'R,2'R)- 2'- (4- methoxyphenyl)- 1,3- dioxo- 1,1',2',3- tetrahydro- 3a'H- spiro[indene- 2,3'- pyrrolo[1,2- a]quinoline]- 1'- carboxylate
Smiles: CCOC(=O)[C@@H]1N2c3ccccc3C=CC2[C@@]2([C@H]1c1ccc(cc1)OC)C(=O)c1c(C2=O)cccc1

STK554880
Synonyms: 2- (4- methoxyphenyl)- 3- [4- (4- methylphenoxy)butyl]quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCOc1ccc(cc1)C

STK554881
Synonyms: 9- chloro- 2- (5- methylfuran- 2- yl)- 5- phenyl- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: Clc1ccc2c(c1)C1CC(=NN1C(O2)c1ccccc1)c1ccc(o1)C

STK554882
Synonyms: 2- [(3- butyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N- (1,3- thiazol- 2- yl)acetamide
Smiles: CCCCn1c(SCC(=O)Nc2nccs2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK554883
Synonyms: N- (4- {(E)- [2- ({1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(4- fluorophenoxy)methyl]- 1H- 1,2,3- triazol- 4- yl}carbonyl)hydrazinylidene]methyl}phenyl)acetamide
Smiles: CC(=O)Nc1ccc(cc1)/C=N/NC(=O)c1nnn(c1COc1ccc(cc1)F)c1nonc1N

STK554884
Synonyms: 6- (biphenyl- 4- yl)- 3- (3- methylphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Cc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc(cc1)c1ccccc1

STK554885
Synonyms: ethyl1- {3- [(2- methyl- 8,13- dioxo- 13,14- dihydro- 8H- naphtho[2,3- a]phenoxazin- 7- yl)amino]propyl}piperidine- 4- carboxylate
Smiles: CCOC(=O)C1CCN(CC1)CCCNc1cc2oc3ccc(cc3[nH]c2c2c1c(=O)c1ccccc1c2=O)C

STK554886
Synonyms: 9- chloro- 2- (5- methylfuran- 2- yl)- 5- (4- methylphenyl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: Clc1ccc2c(c1)C1CC(=NN1C(O2)c1ccc(cc1)C)c1ccc(o1)C

STK554887
Synonyms: (6Z)- 6- (4- {3- [2- (butan- 2- yl)phenoxy]propoxy}benzylidene)- 5- imino- 2- (thiophen- 2- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCC(c1ccccc1OCCCOc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccs1)C

STK554888
Synonyms: N- (3- chlorophenyl)- 2- [(4- oxo- 3- phenyl- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccccc1)CCCCC3

STK554890
Synonyms: 4- {[(4aS,4bR,7aS,8R)- 6- (4- bromophenyl)- 5,7- dioxo- 4b,5,6,7,7a,8- hexahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazin- 8- yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2N=CC=C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)Br

STK554893
Synonyms: 3- (3- ethoxyphenyl)- 6- (2- methoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)c1ccccc1OC

STK554895
Synonyms: 3- (4- methylphenyl)- 6- (naphthalen- 2- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Cc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc2c(c1)cccc2

STK554896
Synonyms: ethyl(2E)- [2- (4- nitrophenyl)hydrazinylidene][(1- phenyl- 1H- tetrazol- 5- yl)sulfanyl]ethanoate
Smiles: CCOC(=O)/C(=N\Nc1ccc(cc1)[N+](=O)[O-])/Sc1nnnn1c1ccccc1

STK554897
Synonyms: N~4~- (2,5- dimethoxyphenyl)- N~2~- (2- methoxyethyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COCCNc1nc(N)c(c(n1)Nc1cc(OC)ccc1OC)[N+](=O)[O-]

STK554899
Synonyms: N- (3- chlorophenyl)- 2- {[3- (3- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCCC3

STK554901
Synonyms: (2Z)- 6- (2- chlorobenzyl)- 2- (3,4,5- trimethoxybenzylidene)- 7H- [1,3]thiazolo[3,2- b][1,2,4]triazine- 3,7(2H)- dione
Smiles: COc1cc(cc(c1OC)OC)/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1Cl

STK554902
Synonyms: methyl2- (5- {(Z)- [3- (benzylsulfanyl)- 5- imino- 7- oxo- 5H- [1,2,4]thiadiazolo[4,5- a]pyrimidin- 6(7H)- ylidene]methyl}furan- 2- yl)benzoate
Smiles: COC(=O)c1ccccc1c1ccc(o1)/C=C/1\C(=O)N=c2n(C1=N)c(SCc1ccccc1)ns2

STK554903
Synonyms: 3- [(2- chlorobenzyl)oxy]- 2- [(2- chlorobenzyl)sulfanyl]quinazolin- 4(3H)- one
Smiles: Clc1ccccc1COn1c(SCc2ccccc2Cl)nc2c(c1=O)cccc2

STK554904
Synonyms: ethyl(2Z)- 3- (3- chloro- 1H- indol- 2- yl)- 2- cyanoprop- 2- enoate
Smiles: CCOC(=O)/C(=C\c1[nH]c2c(c1Cl)cccc2)/C#N

STK554905
Synonyms: N'- [(E)- {2- [(4- bromobenzyl)oxy]phenyl}methylidene]- 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1ccccc1OCc1ccc(cc1)Br

STK554907
Synonyms: 2- (4- methoxybenzyl)- 9- (propan- 2- yl)- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: COc1ccc(cc1)Cc1nn2c(n1)c1c(nc2)sc2c1CCN(C2)C(C)C

STK554908
Synonyms: 9- bromo- 5- (3- chlorophenyl)- 2- (5- methylfuran- 2- yl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: Brc1ccc2c(c1)C1CC(=NN1C(O2)c1cccc(c1)Cl)c1ccc(o1)C

STK554911
Synonyms: 2- {[3- (4- chlorophenyl)- 7- methyl- 4- oxo- 3,4,5,6,7,8- hexahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}- N- (4- ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCN(C3)C

STK554912
Synonyms: (6Z)- 6- {3- bromo- 4- [(4- fluorobenzyl)oxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Fc1ccc(cc1)COc1ccc(cc1Br)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK554914
Synonyms: (2''R,3''R)- 3''- acetyl- 2''- (4- nitrophenyl)- 2'',3''- dihydro- 10b''H- dispiro[cyclohexane- 1,2'- [1,3]dioxane- 5',1''- pyrrolo[2,1- a]phthalazine]- 4',6'- dione
Smiles: CC(=O)[C@@H]1N2N=Cc3c(C2C2([C@H]1c1ccc(cc1)[N+](=O)[O-])C(=O)OC1(OC2=O)CCCCC1)cccc3

STK554915
Synonyms: 3- ethyl- 7- methyl- 2- [(4- nitrobenzyl)sulfanyl]- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CCn1c(SCc2ccc(cc2)[N+](=O)[O-])nc2c(c1=O)c1CCN(Cc1s2)C

STK554917
Synonyms: N,N- diethyl- 4- [3- (furan- 2- yl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazol- 6- yl]aniline
Smiles: CCN(c1ccc(cc1)c1nn2c(s1)nnc2c1ccco1)CC

STK554918
Synonyms: (6E)- 2- (3,4- dimethoxybenzyl)- 6- [(2,5- dimethyl- 1- phenyl- 1H- pyrrol- 3- yl)methylidene]- 5- imino- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OC)Cc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3ccccc3)C)/C2=N)s1

STK554919
Synonyms: (2Z)- N- (2- chlorophenyl)- 2- cyano- 2- [5- (2,5- dichlorobenzyl)- 3- (3,4- dimethylphenyl)- 4- oxo- 1,3- thiazolidin- 2- ylidene]ethanamide
Smiles: N#C/C(=C\1/SC(C(=O)N1c1ccc(c(c1)C)C)Cc1cc(Cl)ccc1Cl)/C(=O)Nc1ccccc1Cl

STK554920
Synonyms: 2- methyl- 7- {[3- (pyrrolidin- 1- yl)propyl]amino}- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: Cc1ccc2c(c1)[nH]c1c(o2)cc(c2c1c(=O)c1c(c2=O)cccc1)NCCCN1CCCC1

STK554922
Synonyms: 2- [(E)- (2- {[1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- phenyl- 1H- 1,2,3- triazol- 4- yl]carbonyl}hydrazinylidene)methyl]- 4- bromophenylbenzoate
Smiles: Brc1ccc(c(c1)/C=N/NC(=O)c1nnn(c1c1ccccc1)c1nonc1N)OC(=O)c1ccccc1

STK554923
Synonyms: (6Z)- 6- {[5- (3- chloro- 4- methylphenyl)furan- 2- yl]methylidene}- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(o3)c3ccc(c(c3)Cl)C)/C2=N)s1

STK554924
Synonyms: N~4~- (4- chlorophenyl)- N~2~- (3- methoxyphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COc1cccc(c1)Nc1nc(N)c(c(n1)Nc1ccc(cc1)Cl)[N+](=O)[O-]

STK554925
Synonyms: 1,3- dimethyl- 7- (4- methylbenzyl)- 8- [(2E)- 2- (4- methylbenzylidene)hydrazinyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cc1ccc(cc1)/C=N/Nc1nc2c(n1Cc1ccc(cc1)C)c(=O)n(c(=O)n2C)C

STK554928
Synonyms: N- (4- acetylphenyl)- 2- {[2- (benzylsulfanyl)- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)C(=O)C)CSc1nc(SCc2ccccc2)nc2c1c1CC(C)(C)OCc1s2

STK554929
Synonyms: N'- {(E)- [4- (methylsulfanyl)phenyl]methylidene}- 2- [(4- methyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetohydrazide
Smiles: CSc1ccc(cc1)/C=N/NC(=O)CSc1nncn1C

STK554930
Synonyms: 12- benzyl- 9- (benzylsulfanyl)- 6,6- dimethyl- 6,12- dihydrobenzo[h][1,2,4]triazolo[3,4- b]quinazolin- 7(5H)- one
Smiles: O=c1n2c(SCc3ccccc3)nnc2n(c2c1C(C)(C)Cc1c2cccc1)Cc1ccccc1

STK554931
Synonyms: 6- (biphenyl- 4- yl)- 3- (4- ethoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc(cc1)c1ccccc1

STK554932
Synonyms: 2- (4- methoxyphenyl)- 3- [6- (2- methylphenoxy)hexyl]quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCCOc1ccccc1C

STK554935
Synonyms: 1- (2- methoxyethyl)- 3- (phenylsulfonyl)- 1H- pyrrolo[2,3- b]quinoxalin- 2- amine
Smiles: COCCn1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1ccccc1

STK554937
Synonyms: (6E)- 6- {[1- (2- fluorobenzyl)- 1H- indol- 3- yl]methylidene}- 5- imino- 2- [2- oxo- 2- (piperidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCCCC1)Cc1nn2c(=NC(=O)/C(=C/c3cn(c4c3cccc4)Cc3ccccc3F)/C2=N)s1

STK554938
Synonyms: methyl6- methoxy- 3- {[(4- methyl- 1,2,5- oxadiazol- 3- yl)carbonyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)c1nonc1C)ccc(c2)OC

STK554939
Synonyms: 11- (ethylsulfanyl)- 1- (propylsulfanyl)- 5H- spiro[benzo[h][1,2,4]triazolo[4,3- c]quinazoline- 4,1'- cyclopentane]
Smiles: CCCSc1nnc2n1c(SCC)nc1c2C2(CCCC2)Cc2c1cccc2

STK554940
Synonyms: (1'S,2'S,3R,3a'R)- 2'- [(2- chlorophenyl)carbonyl]- 1'- (2,2- dimethylpropanoyl)- 1',2'- dihydro- 3a'H- spiro[indole- 3,3'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: Clc1ccccc1C(=O)[C@@H]1[C@H](N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2cccc1)C(=O)C(C)(C)C

STK554942
Synonyms: 4- hydrazinyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 2- amine
Smiles: NNc1nc(N)nc2c1c1CCCCc1s2

STK554943
Synonyms: N'- [(1E)- 1- (4- bromophenyl)ethylidene]- 2- {[5- (4- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C(/c1ccc(cc1)Br)\C

STK554944
Synonyms: 3- (2- hydroxy- 5- methylphenyl)- 3- phenyl- 1- (piperidin- 1- yl)propan- 1- one
Smiles: Cc1ccc(c(c1)C(c1ccccc1)CC(=O)N1CCCCC1)O

STK554945
Synonyms: 2- {[6- ethyl- 6- methyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}- N- (1- phenylpropan- 2- yl)acetamide
Smiles: CCCSc1nc(SCC(=O)NC(Cc2ccccc2)C)c2c(n1)sc1c2CC(OC1)(C)CC

STK554946
Synonyms: 5- ethyl- 2- [(3- hydroxypropyl)amino]- 3,5- dimethyl- 5,6- dihydrobenzo[h]quinazolin- 4(3H)- one
Smiles: OCCCNc1nc2c3ccccc3CC(c2c(=O)n1C)(C)CC

STK554947
Synonyms: N- (4- acetylphenyl)- 2- [(5- amino- 10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl)sulfanyl]acetamide
Smiles: O=C(Nc1ccc(cc1)C(=O)C)CSc1nnc2n1c(N)nc1c2c2CC(C)(C)OCc2s1

STK554948
Synonyms: 3- (prop- 2- en- 1- yloxy)- 2- (prop- 2- en- 1- ylsulfanyl)quinazolin- 4(3H)- one
Smiles: C=CCSc1nc2ccccc2c(=O)n1OCC=C

STK554949
Synonyms: (6aR,6bS,9aR,10S)- 10- (furan- 2- ylcarbonyl)- 8- (4- methylphenyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: Cc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)c1ccco1

STK554950
Synonyms: 2- [3- (4- chlorophenyl)- 6,6- dimethyl- 2,4- dioxo- 3,4,5,8- tetrahydro- 2H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 1(6H)- yl]- N- (2- phenylethyl)acetamide
Smiles: O=C(Cn1c2sc3c(c2c(=O)n(c1=O)c1ccc(cc1)Cl)CC(OC3)(C)C)NCCc1ccccc1

STK554951
Synonyms: 4- {(2E)- 2- [4- (2- amino- 2- oxoethoxy)- 3- methoxybenzylidene]hydrazinyl}- N- (4- bromophenyl)- 4- oxobutanamide
Smiles: COc1cc(/C=N/NC(=O)CCC(=O)Nc2ccc(cc2)Br)ccc1OCC(=O)N

STK554952
Synonyms: 2- [4- (2- methylpropoxy)phenyl]- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclopentane]
Smiles: CC(COc1ccc(cc1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2)C

STK554953
Synonyms: 3- (2,4- dimethylphenyl)- 6- iodo- 2- [(E)- 2- (4- nitrophenyl)ethenyl]quinazolin- 4(3H)- one
Smiles: Cc1ccc(c(c1)C)n1c(/C=C/c2ccc(cc2)[N+](=O)[O-])nc2c(c1=O)cc(cc2)I

STK554954
Synonyms: 12- pentyl- 9- (pentylsulfanyl)- 5H- spiro[benzo[h][1,2,4]triazolo[3,4- b]quinazoline- 6,1'- cyclohexan]- 7(12H)- one
Smiles: CCCCCSc1nnc2n1c(=O)c1c(n2CCCCC)c2ccccc2CC21CCCCC2

STK554955
Synonyms: 2- {[4- (4- bromophenyl)- 5- (pyridin- 3- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [4- (butan- 2- yl)phenyl]acetamide
Smiles: CCC(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)Br)c1cccnc1)C

STK554956
Synonyms: 5- (4- fluorophenyl)- 3- (2- methylpropyl)- 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)CC(C)C

STK554959
Synonyms: 1- (8- methyl- 1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indol- 2- yl)- 2- [4- (pyridin- 2- yl)piperazin- 1- yl]ethanone
Smiles: Cc1ccc2c(c1)c1CN(CCc1[nH]2)C(=O)CN1CCN(CC1)c1ccccn1

STK554960
Synonyms: 4- {1,1,1,3,3,3- hexafluoro- 2- [(2- phenylethyl)amino]propan- 2- yl}- 5- methyl- 2- phenyl- 1,2- dihydro- 3H- pyrazol- 3- one
Smiles: Cc1[nH]n(c(=O)c1C(C(F)(F)F)(C(F)(F)F)NCCc1ccccc1)c1ccccc1

STK554961
Synonyms: 2,2- dimethyl- 5- (morpholin- 4- yl)- 8- [(4- nitrobenzyl)sulfanyl]- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: [O-][N+](=O)c1ccc(cc1)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK554962
Synonyms: N'- [(E)- (2,4- dichlorophenyl)methylidene]- 2- {[5- (3- nitrophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1cccc(c1)[N+](=O)[O-])N/N=C/c1ccc(cc1Cl)Cl

STK554963
Synonyms: 2- [4- (tert- butylamino)quinazolin- 2- yl]- 6- methoxyphenol
Smiles: COc1cccc(c1O)c1nc(NC(C)(C)C)c2c(n1)cccc2

STK554964
Synonyms: (6E)- 6- {[1- (3- chloro- 4- methylphenyl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]methylidene}- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCCC1)Cc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3ccc(c(c3)Cl)C)C)/C2=N)s1

STK554967
Synonyms: 2- {[5- (3- bromophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (3- phenoxyphenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1cccc(c1)Br)N/N=C/c1cccc(c1)Oc1ccccc1

STK554968
Synonyms: 2- {[3- (4- methoxyphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}- N- (1,3- thiazol- 2- yl)acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2nccs2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK554970
Synonyms: (5E)- 2- [4- (3- chloro- 4- methylphenyl)piperazin- 1- yl]- 5- (2- ethoxybenzylidene)- 1,3- thiazol- 4(5H)- one
Smiles: CCOc1ccccc1/C=C\1/SC(=NC1=O)N1CCN(CC1)c1ccc(c(c1)Cl)C

STK554971
Synonyms: (4aR,4bS,7aR,8S)- 6- (2,4- dichlorophenyl)- 8- [(3,4- dimethoxyphenyl)carbonyl]- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: COc1cc(ccc1OC)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1Cl)Cl

STK554972
Synonyms: 5- (4- chlorophenyl)- 3- (2- methoxyphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1ccccc1C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)Cl)c1ccccc1

STK554975
Synonyms: ethyl5,6- dimethoxy- 3- ({[1- (4- methylphenyl)cyclopropyl]carbonyl}amino)- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C1(CC1)c1ccc(cc1)C)cc(c(c2)OC)OC

STK554977
Synonyms: 3- benzyl- 2- [(2- chlorobenzyl)sulfanyl]- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: Clc1ccccc1CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3

STK554980
Synonyms: (6Z)- 6- {3- ethoxy- 4- [2- (3- methylphenoxy)ethoxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(ccc1OCCOc1cccc(c1)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK554981
Synonyms: 1- [(2,2,5- trimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl)amino]propan- 2- ol
Smiles: CC(CNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)C)O

STK554982
Synonyms: 2- phenyl- 5- (4- propoxyphenyl)- 3- (pyridin- 3- yl)dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cccnc1

STK554983
Synonyms: 2,4- bis(3,5- dimethyl- 1H- pyrazol- 1- yl)- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: Cc1cc(n(n1)c1nc(nc2c1c1CC(C)(C)OCc1s2)n1nc(cc1C)C)C

STK554984
Synonyms: (6Z)- 6- {3- ethoxy- 4- [2- (4- methylphenoxy)ethoxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(ccc1OCCOc1ccc(cc1)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK554985
Synonyms: 2- [(6- bromo- 2- methylquinolin- 4- yl)sulfanyl]acetohydrazide
Smiles: Cc1cc(SCC(=O)NN)c2c(n1)ccc(c2)Br

STK554986
Synonyms: N'- [(E)- {4- [(3,4- dichlorobenzyl)oxy]- 3- methoxyphenyl}methylidene]- 2- (3- methyl- 1H- pyrazol- 1- yl)acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)Cn2ccc(n2)C)ccc1OCc1ccc(c(c1)Cl)Cl

STK554988
Synonyms: 2- [(2- hydroxy- 2- phenylethyl)amino]- 3- [(Z)- (4- oxo- 3- propyl- 2- thioxo- 1,3- thiazolidin- 5- ylidene)methyl]- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: CCCN1C(=S)S/C(=C\c2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3)/C1=O

STK554989
Synonyms: (2E)- N- [5- (1,3- dioxo- 1,3- dihydro- 2H- isoindol- 2- yl)- 1- phenyl- 1H- 1,2,4- triazol- 3- yl]- 3- (3- nitrophenyl)prop- 2- enamide
Smiles: O=C(Nc1nc(n(n1)c1ccccc1)N1C(=O)c2c(C1=O)cccc2)/C=C/c1cccc(c1)[N+](=O)[O-]

STK554990
Synonyms: 2,8,8- trimethyl- 4- (nonylsulfanyl)- 7,10- dihydro- 8H- pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CCCCCCCCCSc1nc(C)nc2c1sc1c2cc2c(n1)CC(OC2)(C)C

STK554991
Synonyms: 2- [3- (3- chlorophenyl)- 2,4- dioxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 1(2H)- yl]- N- (4- ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)Cn1c2sc3c(c2c(=O)n(c1=O)c1cccc(c1)Cl)CCCC3

STK554992
Synonyms: 2- (diethylamino)ethyl(2E)- 3- (3,4- dimethoxyphenyl)- 2- [(phenylcarbonyl)amino]prop- 2- enoate
Smiles: CCN(CCOC(=O)/C(=C\c1ccc(c(c1)OC)OC)/NC(=O)c1ccccc1)CC

STK554993
Synonyms: 6- (4- bromophenyl)- 3- (3- ethoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)c1ccc(cc1)Br

STK554994
Synonyms: 3- (2- chlorophenyl)- 6- (3- ethoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nn2c(s1)nnc2c1ccccc1Cl

STK554995
Synonyms: (2'S,3'R,4R)- 3'- (2,2- dimethylpropanoyl)- 2,2'- diphenyl- 2',3'- dihydro- 10b'H- spiro[1,3- oxazole- 4,1'- pyrrolo[2,1- a]phthalazin]- 5- one
Smiles: O=C(C(C)(C)C)[C@@H]1N2N=Cc3c(C2[C@@]2([C@H]1c1ccccc1)N=C(OC2=O)c1ccccc1)cccc3

STK554997
Synonyms: 3- (4- tert- butylphenyl)- 6- (2,6- dimethoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: COc1cccc(c1c1nn2c(s1)nnc2c1ccc(cc1)C(C)(C)C)OC

STK554998
Synonyms: 6- (4- benzylpiperazin- 1- yl)- 2- (4- ethylpiperazin- 1- yl)- 5- nitropyrimidin- 4- amine
Smiles: CCN1CCN(CC1)c1nc(N2CCN(CC2)Cc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK554999
Synonyms: 3- [(Z)- (3- butyl- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene)methyl]- 2- [(2- hydroxy- 2- phenylethyl)amino]- 9- methyl- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: CCCCN1C(=S)S/C(=C\c2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3C)/C1=O

STK555001
Synonyms: N'- [(E)- (3,5- dichloro- 2- methoxyphenyl)methylidene]- 2- [(4- methyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetohydrazide
Smiles: COc1c(/C=N/NC(=O)CSc2nncn2C)cc(cc1Cl)Cl

STK555002
Synonyms: N- (4- chlorophenyl)- 2- {[3- (2- methylpropyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCCC3

STK555004
Synonyms: (6E)- 6- {[1- (4- chlorobenzyl)- 1H- indol- 3- yl]methylidene}- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Clc1ccc(cc1)Cn1cc(c2c1cccc2)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK555005
Synonyms: 3- [(2,6- dichlorobenzyl)oxy]- 2- [(2,6- dichlorobenzyl)sulfanyl]quinazolin- 4(3H)- one
Smiles: Clc1cccc(c1COn1c(SCc2c(Cl)cccc2Cl)nc2c(c1=O)cccc2)Cl

STK555006
Synonyms: 6- (1,3- benzodioxol- 5- yl)- 3- (3- methoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: COc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc2c(c1)OCO2

STK555007
Synonyms: 4- [3- (pyridin- 2- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazin- 6- yl]benzene- 1,2- diol
Smiles: Oc1cc(ccc1O)C1=Nn2c(SC1)nnc2c1ccccn1

STK555008
Synonyms: 2- (benzylsulfanyl)- 4- [(4- chlorobenzyl)sulfanyl]- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: Clc1ccc(cc1)CSc1nc(SCc2ccccc2)nc2c1c1CC(C)(C)OCc1s2

STK555009
Synonyms: 3- chloro- N- [cyano(4- methoxyphenyl)methyl]- N- (2- methylphenyl)propanamide
Smiles: ClCCC(=O)N(c1ccccc1C)C(c1ccc(cc1)OC)C#N

STK555014
Synonyms: 4- {[(4aS,4bR,7aS,8R)- 6- (2- methoxy- 5- nitrophenyl)- 5,7- dioxo- 4b,5,6,7,7a,8- hexahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazin- 8- yl]carbonyl}phenylacetate
Smiles: COc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)c2ccc(cc2)OC(=O)C)N=CC=C1)[N+](=O)[O-]

STK555015
Synonyms: 9- (2,4- dimethoxyphenyl)- 2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8(9H)- one
Smiles: COc1cc(OC)ccc1n1cnc2c(c1=O)sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK555016
Synonyms: 6- iodo- 3- (naphthalen- 1- yl)- 2- [(E)- 2- (5- nitrofuran- 2- yl)ethenyl]quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccc(o1)[N+](=O)[O-])c1cccc2c1cccc2

STK555017
Synonyms: 3- (3- chlorophenyl)- 2- (propan- 2- ylsulfanyl)- 6,7,8,9- tetrahydropyrimido[4,5- b]quinolin- 4(3H)- one
Smiles: CC(Sc1nc2nc3CCCCc3cc2c(=O)n1c1cccc(c1)Cl)C

STK555018
Synonyms: 2- (4- butoxyphenyl)- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclopentane]
Smiles: CCCCOc1ccc(cc1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2

STK555019
Synonyms: 2- (2- {[4- amino- 5- nitro- 6- (piperidin- 1- yl)pyrimidin- 2- yl]amino}ethoxy)ethanol
Smiles: OCCOCCNc1nc(N)c(c(n1)N1CCCCC1)[N+](=O)[O-]

STK555020
Synonyms: 8,8- dimethyl- 3- (3- methylbutyl)- 7,10- dihydro- 8H- thiopyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 4(3H)- one
Smiles: CC(CCn1cnc2c(c1=O)sc1c2cc2c(n1)CC(SC2)(C)C)C

STK555021
Synonyms: 4- [(2,6- dichlorobenzyl)sulfanyl]- 6- ethyl- 6- methyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCCSc1nc(SCc2c(Cl)cccc2Cl)c2c(n1)sc1c2CC(OC1)(C)CC

STK555022
Synonyms: (2Z)- 2- cyano- N- (3- methylphenyl)- 2- [(5Z)- 3- (2- methylphenyl)- 4- oxo- 5- (2,4,5- trimethoxybenzylidene)- 1,3- thiazolidin- 2- ylidene]ethanamide
Smiles: N#C/C(=c\1/s/c(=C\c2cc(OC)c(cc2OC)OC)/c(=O)n1c1ccccc1C)/C(=O)Nc1cccc(c1)C

STK555023
Synonyms: 2- {[5- (4- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (6- methylpyridin- 2- yl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C/c1cccc(n1)C

STK555024
Synonyms: 4- (4- chlorophenyl)- 7- methyl- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CC1CCc2c(C1)c1c(=O)n(c3ccc(cc3)Cl)c3n(c1s2)cnn3

STK555025
Synonyms: 4- (4- chlorophenyl)- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Clc1ccc(cc1)n1c2nncn2c2c(c1=O)c1CCCCc1s2

STK555026
Synonyms: 2- [(4- methyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]- N'- [(1E)- 1- (pyridin- 4- yl)ethylidene]acetohydrazide
Smiles: O=C(CSc1nncn1C)N/N=C(/c1ccncc1)\C

STK555027
Synonyms: 2- {[3- (4- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}- N- [3- (trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)CCCCC3

STK555028
Synonyms: 5- (benzylsulfanyl)- 3- [(4- bromobenzyl)sulfanyl]- 10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: Brc1ccc(cc1)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CC(C)(C)OCc2s1

STK555029
Synonyms: (6Z)- 6- {3- bromo- 4- [(2- methylbenzyl)oxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(c(c1)Br)OCc1ccccc1C)c1cccnc1

STK555031
Synonyms: 3- (3- chlorophenyl)- 2- [(4- nitrobenzyl)sulfanyl]- 6,7,8,9- tetrahydropyrimido[4,5- b]quinolin- 4(3H)- one
Smiles: Clc1cccc(c1)n1c(SCc2ccc(cc2)[N+](=O)[O-])nc2c(c1=O)cc1c(n2)CCCC1

STK555032
Synonyms: 3- (2- phenylethyl)- 11- {[(E)- phenylmethylidene]amino}- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: O=c1n(CCc2ccccc2)cnc2c1c1nc3ccccc3nc1n2/N=C/c1ccccc1

STK555033
Synonyms: (5Z)- 5- {[5- (4- methylphenyl)furan- 2- yl]methylidene}- 2- [4- (2- nitrophenyl)piperazin- 1- yl]- 1,3- thiazol- 4(5H)- one
Smiles: Cc1ccc(cc1)c1ccc(o1)/C=C/1\SC(=NC1=O)N1CCN(CC1)c1ccccc1[N+](=O)[O-]

STK555034
Synonyms: 2- [(8,8- dimethyl- 4- oxo- 3- phenyl- 3,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 2- yl)sulfanyl]- N,N- diphenylacetamide
Smiles: O=C(N(c1ccccc1)c1ccccc1)CSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1c1ccccc1

STK555035
Synonyms: 5- (3- chloro- 2- methylphenyl)- 3- (2- methylpropyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CC(CC1N(OC2C1C(=O)N(C2=O)c1cccc(c1C)Cl)c1ccccc1)C

STK555037
Synonyms: methyl3- {[3- (4- benzylpiperazin- 1- yl)propanoyl]amino}- 6- methoxy- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)Cc1ccccc1)ccc(c2)OC

STK555038
Synonyms: 3- (3- chlorophenyl)- 6,6- dimethyl- 2- sulfanyl- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: Clc1cccc(c1)n1c(S)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK555041
Synonyms: N- (5- chloro- 2- methylphenyl)- 2- {[4- oxo- 3- (2- phenylethyl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cc(Cl)ccc1C)CSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCCC3

STK555043
Synonyms: (6E)- 6- {[1- (4- chlorobenzyl)- 1H- indol- 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: Clc1ccc(cc1)Cn1cc(c2c1cccc2)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCOCC1

STK555044
Synonyms: [6- bromo- 4- (dibromomethyl)- 5,5- dimethylbicyclo[2.1.1]hex- 1- yl](3,4- dihydroisoquinolin- 2(1H)- yl)methanone
Smiles: O=C(C12CCC(C1Br)(C2(C)C)C(Br)Br)N1CCc2c(C1)cccc2

STK555045
Synonyms: (6Z)- 6- {4- [(2- fluorobenzyl)oxy]- 3- methoxybenzylidene}- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCc1ccccc1F)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK555046
Synonyms: 3- (3- ethoxyphenyl)- 6- phenyl- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CCOc1cccc(c1)c1nnc2n1N=C(CS2)c1ccccc1

STK555047
Synonyms: (3aR,6aS)- 3- (3- nitrophenyl)- 5- phenyl- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: O=C1N(c2ccccc2)C(=O)[C@@H]2[C@H]1C(=NO2)c1cccc(c1)[N+](=O)[O-]

STK555050
Synonyms: (8S,8aR,11aS,11bS)- 10- (4- methylphenyl)- 8- (phenylcarbonyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: Cc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccccc2)C=Cc2c1cccc2

STK555051
Synonyms: 2- (4- methylpiperazin- 1- yl)- 6- (4- methylpiperidin- 1- yl)- 5- nitropyrimidin- 4- amine
Smiles: CC1CCN(CC1)c1nc(nc(c1[N+](=O)[O-])N)N1CCN(CC1)C

STK555052
Synonyms: 7- methoxy- 3- ({(E)- [3- (octyloxy)phenyl]methylidene}amino)- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: CCCCCCCCOc1cccc(c1)/C=N/n1cnc2c(c1=O)[nH]c1c2ccc(c1)OC

STK555055
Synonyms: methyl5- bromo- 3- {[hydroxy(diphenyl)acetyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C(c1ccccc1)(c1ccccc1)O)cc(cc2)Br

STK555058
Synonyms: (5Z)- 5- {[3- (3- ethoxyphenyl)- 1- phenyl- 1H- pyrazol- 4- yl]methylidene}- 3- (propan- 2- yl)- 2- thioxo- 1,3- thiazolidin- 4- one
Smiles: CCOc1cccc(c1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C(C)C)c1ccccc1

STK555059
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (2- chloro- 6- fluorophenyl)methylidene]- 5- [(dimethylamino)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CN(Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1c(F)cccc1Cl)C

STK555061
Synonyms: N- (3- chlorophenyl)- 2- {[3- (2- methylpropyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCCC3

STK555062
Synonyms: 3- (2,4- dimethylphenyl)- 6- iodo- 2- [(E)- 2- (4- methoxyphenyl)ethenyl]quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)/C=C/c1nc2ccc(cc2c(=O)n1c1ccc(cc1C)C)I

STK555063
Synonyms: 2- {[(E)- (3- phenyl- 1H- pyrazol- 4- yl)methylidene]amino}- 5,6,7,8- tetrahydro- 4H- cyclohepta[b]thiophene- 3- carbonitrile
Smiles: N#Cc1c(/N=C/c2c[nH]nc2c2ccccc2)sc2c1CCCCC2

STK555064
Synonyms: N- [2,5- dioxo- 1- (2- phenylethyl)- 4- (trifluoromethyl)imidazolidin- 4- yl]- 2,2- dimethylpropanamide
Smiles: O=C1NC(C(=O)N1CCc1ccccc1)(NC(=O)C(C)(C)C)C(F)(F)F

STK555065
Synonyms: N~2~- benzyl- N~4~- cyclohexyl- 5- nitropyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(NC2CCCCC2)nc(nc1N)NCc1ccccc1

STK555066
Synonyms: 2- (3- ethoxyphenyl)- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclohexane]
Smiles: CCOc1cccc(c1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCCC2

STK555068
Synonyms: 12- (4- chlorobenzyl)- 9- [(4- chlorobenzyl)sulfanyl]- 5H- spiro[benzo[h][1,2,4]triazolo[3,4- b]quinazoline- 6,1'- cyclohexan]- 7(12H)- one
Smiles: Clc1ccc(cc1)CSc1nnc2n1c(=O)c1c(n2Cc2ccc(cc2)Cl)c2ccccc2CC21CCCCC2

STK555070
Synonyms: 3- methoxy- 10- methyl- 5- [(4- methylphenyl)sulfonyl]- 5,10- dihydroindolo[3,2- b]indole
Smiles: COc1ccc2c(c1)c1c(n2C)c2c(n1S(=O)(=O)c1ccc(cc1)C)cccc2

STK555071
Synonyms: 3- [(2- chlorobenzyl)sulfanyl]- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 5- amine
Smiles: Clc1ccccc1CSc1nnc2n1c(N)nc1c2c2CCCCc2s1

STK555072
Synonyms: (6E)- 6- [(2,5- dimethyl- 1- phenyl- 1H- pyrrol- 3- yl)methylidene]- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C\c1cc(n(c1C)c1ccccc1)C)c1cccnc1

STK555073
Synonyms: 3- [4- (2- tert- butyl- 6- methylphenoxy)butyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCOc1c(C)cccc1C(C)(C)C

STK555074
Synonyms: 3- (2- chloro- 4- nitrophenyl)- 2- {(E)- 2- [4- (dimethylamino)phenyl]ethenyl}- 6- iodoquinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccc(cc1)N(C)C)c1ccc(cc1Cl)[N+](=O)[O-]

STK555075
Synonyms: 5- (naphthalen- 2- yl)- 3- (4- nitrophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: O=C1N(c2ccc3c(c2)cccc3)C(=O)C2C1C(c1ccc(cc1)[N+](=O)[O-])N(O2)c1ccccc1

STK555076
Synonyms: 3- methyl- 7- {[3- (3- methylpiperidin- 1- yl)propyl]amino}- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: CC1CCCN(C1)CCCNc1cc2oc3cc(C)ccc3[nH]c2c2c1c(=O)c1c(c2=O)cccc1

STK555077
Synonyms: N- (2,4- dimethoxyphenyl)- 2- [(5- oxo- 4- phenyl- 4,5,6,7,8,9- hexahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl)sulfanyl]acetamide
Smiles: COc1ccc(c(c1)OC)NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCCC3

STK555078
Synonyms: 2- {[3- (3- chlorophenyl)- 4- oxo- 3,4,6,7,8,9- hexahydropyrimido[4,5- b]quinolin- 2- yl]sulfanyl}acetamide
Smiles: NC(=O)CSc1nc2nc3CCCCc3cc2c(=O)n1c1cccc(c1)Cl

STK555081
Synonyms: ethyl{[3- (2- methylpropyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCCC3

STK555082
Synonyms: 2,3- dimethoxy- 6- [5- (4- nitrophenyl)- 4,6- dioxo- 2- phenylhexahydro- 2H- pyrrolo[3,4- d][1,2]oxazol- 3- yl]benzoicacid
Smiles: COc1ccc(c(c1OC)C(=O)O)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

STK555083
Synonyms: (6Z)- 6- [4- (benzyloxy)- 3- ethoxybenzylidene]- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(ccc1OCc1ccccc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK555084
Synonyms: 3- (2,4- dichlorophenyl)- 5- (4- methylphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Cc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1Cl)Cl

STK555085
Synonyms: N~2~- (2,5- dimethoxyphenyl)- N~4~- (4- methoxyphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)Nc1cc(OC)ccc1OC

STK555086
Synonyms: (6Z)- 6- [4- (benzyloxy)- 3- methoxybenzylidene]- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCc1ccccc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK555087
Synonyms: 2- [(6- bromo- 2- methylquinolin- 4- yl)sulfanyl]- N'- [(3Z)- 5- nitro- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]acetohydrazide
Smiles: O=C(CSc1cc(C)nc2c1cc(Br)cc2)N/N=C/1\C(=O)Nc2c1cc(cc2)[N+](=O)[O-]

STK555088
Synonyms: 2- {[2- (benzylsulfanyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- yl]amino}propan- 1- ol
Smiles: OCC(Nc1nc(SCc2ccccc2)nc2c1c1CCCCc1s2)C

STK555089
Synonyms: (4aR,4bS,7aR,8S)- 6- (4- fluorophenyl)- 8- [(4- fluorophenyl)carbonyl]- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: Fc1ccc(cc1)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)F

STK555090
Synonyms: 3- (3- ethoxyphenyl)- 6- (4- methoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CCOc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc(cc1)OC

STK555091
Synonyms: 3- (furan- 2- ylmethyl)- 7- methoxy- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)Cc1ccco1

STK555094
Synonyms: 8- (3- chlorophenyl)- 1,3- dimethyl- 7- (4- nitrophenyl)- 1H- imidazo[2,1- f]purine- 2,4(3H,8H)- dione
Smiles: Clc1cccc(c1)n1c(cn2c1nc1c2c(=O)n(c(=O)n1C)C)c1ccc(cc1)[N+](=O)[O-]

STK555095
Synonyms: 2- {[4- (4- chlorophenyl)- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N- [4- (diethylamino)phenyl]acetamide
Smiles: CCN(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccncc1)CC

STK555097
Synonyms: 9- bromo- 5- (4- methoxyphenyl)- 2- (5- methylfuran- 2- yl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: COc1ccc(cc1)C1Oc2ccc(cc2C2N1N=C(C2)c1ccc(o1)C)Br

STK555098
Synonyms: 5- (2- ethylhexyl)- 1- phenyl- 1,3,5- triazinane- 2- thione
Smiles: CCCCC(CN1CNC(=S)N(C1)c1ccccc1)CC

STK555099
Synonyms: 3- (2,4- dimethylphenyl)- 2- [(E)- 2- (4- hydroxy- 3- methoxyphenyl)ethenyl]- 6- iodoquinazolin- 4(3H)- one
Smiles: COc1cc(ccc1O)/C=C/c1nc2ccc(cc2c(=O)n1c1ccc(cc1C)C)I

STK555100
Synonyms: 2- {[5- (4- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- pyridin- 3- ylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C/c1cccnc1

STK555101
Synonyms: 6- (1,3- benzodioxol- 5- yl)- 3- (2,4- dichlorophenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Clc1ccc(c(c1)Cl)c1nnc2n1N=C(CS2)c1ccc2c(c1)OCO2

STK555102
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- {(E)- [4- (dimethylamino)phenyl]methylidene}- 5- [(4- fluorophenoxy)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: Fc1ccc(cc1)OCc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1)N(C)C

STK555103
Synonyms: 3- (3- chlorophenyl)- 5- (4- nitrophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Clc1cccc(c1)C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK555104
Synonyms: 3- (3- ethoxyphenyl)- 6- (furan- 2- yl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)c1ccco1

STK555105
Synonyms: (6Z)- 5- imino- 6- {3- methoxy- 4- [(2- methylbenzyl)oxy]benzylidene}- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCc1ccccc1C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK555106
Synonyms: 2- amino- N- butyl- 1- dodecyl- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: CCCCCCCCCCCCn1c(N)c(c2c1nc1ccccc1n2)C(=O)NCCCC

STK555110
Synonyms: ethyl4- ({[6- bromo- 4- (dibromomethyl)- 5,5- dimethylbicyclo[2.1.1]hex- 1- yl]carbonyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)C12CCC(C1Br)(C2(C)C)C(Br)Br

STK555111
Synonyms: (5Z)- 5- {[5- (2,4- dichlorophenyl)furan- 2- yl]methylidene}- 2- (pyrrolidin- 1- yl)- 1,3- thiazol- 4(5H)- one
Smiles: Clc1ccc(c(c1)Cl)c1ccc(o1)/C=C/1\SC(=NC1=O)N1CCCC1

STK555116
Synonyms: 1,3- dimethyl- 7- (4- methylbenzyl)- 8- [(2E)- 2- (pyridin- 3- ylmethylidene)hydrazinyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cc1ccc(cc1)Cn1c(N/N=C/c2cccnc2)nc2c1c(=O)n(c(=O)n2C)C

STK555117
Synonyms: N,N- dimethyl- 4- [3- (4- methylphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazol- 6- yl]aniline
Smiles: Cc1ccc(cc1)c1nnc2n1nc(s2)c1ccc(cc1)N(C)C

STK555118
Synonyms: 9- bromo- 2- (5- methylfuran- 2- yl)- 5- phenyl- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: Brc1ccc2c(c1)C1CC(=NN1C(O2)c1ccccc1)c1ccc(o1)C

STK555120
Synonyms: (4aR,4bS,7aR,8S)- 8- [(4- fluorophenyl)carbonyl]- 6- (2- methyl- 4- nitrophenyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: Fc1ccc(cc1)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1C)[N+](=O)[O-]

STK555121
Synonyms: N- (3- methylphenyl)- 2- [(4- oxo- 3- phenyl- 3,4,6,7,8,9- hexahydropyrimido[4,5- b]quinolin- 2- yl)sulfanyl]acetamide
Smiles: O=C(Nc1cccc(c1)C)CSc1nc2nc3CCCCc3cc2c(=O)n1c1ccccc1

STK555123
Synonyms: 3- ethyl- 2- [(4- nitrobenzyl)sulfanyl]- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CCn1c(SCc2ccc(cc2)[N+](=O)[O-])nc2c(c1=O)c1CCCCc1s2

STK555126
Synonyms: (6aR,6bS,9aR,10S)- 10- (furan- 2- ylcarbonyl)- 8- (2- methyl- 5- nitrophenyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: O=C1N(c2cc(ccc2C)[N+](=O)[O-])C(=O)[C@@H]2[C@H]1[C@H]1C=Cc3c(N1[C@@H]2C(=O)c1ccco1)cccc3

STK555127
Synonyms: (1'S,2'S,3R,3a'R)- 2'- [(2- chlorophenyl)carbonyl]- 1'- [(3- nitrophenyl)carbonyl]- 1',2'- dihydro- 3a'H- spiro[indole- 3,3'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: O=C([C@H]1N2c3ccccc3C=C[C@@H]2[C@]2([C@@H]1C(=O)c1ccccc1Cl)C(=O)Nc1c2cccc1)c1cccc(c1)[N+](=O)[O-]

STK555128
Synonyms: 6- (4- bromophenyl)- 3- (3- ethoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CCOc1cccc(c1)c1nnc2n1N=C(CS2)c1ccc(cc1)Br

STK555129
Synonyms: (5Z)- 5- (2- chlorobenzylidene)- 2- [4- (3- chloro- 4- methylphenyl)piperazin- 1- yl]- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C\c1ccccc1Cl)N1CCN(CC1)c1ccc(c(c1)Cl)C

STK555130
Synonyms: (3aR,6aS)- 5- (2- methyl- 4- nitrophenyl)- 3- (3- nitrophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: Cc1cc(ccc1N1C(=O)[C@H]2[C@@H](C1=O)ON=C2c1cccc(c1)[N+](=O)[O-])[N+](=O)[O-]

STK555131
Synonyms: N- (3- chloro- 4- methoxyphenyl)- 2- {[3- (furan- 2- ylmethyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccco1)CCCCC3

STK555132
Synonyms: 3- (2,4- dimethylphenyl)- 2- {(E)- 2- [4- (propan- 2- yl)phenyl]ethenyl}quinazolin- 4(3H)- one
Smiles: Cc1ccc(c(c1)C)n1c(/C=C/c2ccc(cc2)C(C)C)nc2c(c1=O)cccc2

STK555133
Synonyms: 2- (benzylsulfanyl)- 3- (3- chlorophenyl)- 6,7,8,9- tetrahydropyrimido[4,5- b]quinolin- 4(3H)- one
Smiles: Clc1cccc(c1)n1c(SCc2ccccc2)nc2c(c1=O)cc1c(n2)CCCC1

STK555135
Synonyms: 6- fluoro- 2- methylquinoline- 3- carboxylicacid
Smiles: Fc1ccc2c(c1)cc(c(n2)C)C(=O)O

STK555136
Synonyms: 3- {(Z)- [3- (butan- 2- yl)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 5- ylidene]methyl}- 2- (3,4- dihydroisoquinolin- 2(1H)- yl)- 4H- pyrido[1,2- a]pyrimidin- 4- one
Smiles: CCC(N1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCc3c(C2)cccc3)/C1=O)C

STK555138
Synonyms: 4- {5- (4- chlorophenyl)- 2- oxo- 3- [(4- sulfamoylphenyl)amino]- 2,5- dihydro- 1H- pyrrol- 1- yl}benzenesulfonamide
Smiles: Clc1ccc(cc1)C1C=C(C(=O)N1c1ccc(cc1)S(=O)(=O)N)Nc1ccc(cc1)S(=O)(=O)N

STK555139
Synonyms: N- (4- ethoxyphenyl)- 5- nitro- 2- (pyrrolidin- 1- yl)pyrimidine- 4,6- diamine
Smiles: CCOc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCCC1

STK555140
Synonyms: 5- (3- methoxyphenyl)- 7- (3- nitrophenyl)- 4,7- dihydrotetrazolo[1,5- a]pyrimidine
Smiles: COc1cccc(c1)C1=CC(n2c(N1)nnn2)c1cccc(c1)[N+](=O)[O-]

STK555141
Synonyms: N'- [(E)- (3- bromophenyl)methylidene]- 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1cccc(c1)Br

STK555142
Synonyms: 2- (pyridin- 3- yl)- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclohexane]
Smiles: C1CCC2(CC1)Cc1ccccc1c1c2c2nc(nn2cn1)c1cccnc1

STK555143
Synonyms: 3- (3- chlorophenyl)- 2- sulfanyl- 6,7,8,9- tetrahydropyrimido[4,5- b]quinolin- 4(3H)- one
Smiles: Clc1cccc(c1)n1c(S)nc2c(c1=O)cc1c(n2)CCCC1

STK555144
Synonyms: 6- (4- ethylpiperazin- 1- yl)- 5- nitro- 2- (piperidin- 1- yl)pyrimidin- 4- amine
Smiles: CCN1CCN(CC1)c1nc(nc(c1[N+](=O)[O-])N)N1CCCCC1

STK555145
Synonyms: 9- bromo- 2- (5- methylfuran- 2- yl)- 5- (pyridin- 4- yl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: Brc1ccc2c(c1)C1CC(=NN1C(O2)c1ccncc1)c1ccc(o1)C

STK555146
Synonyms: (8S,8aR,11aS,11bS)- 10- (2- methyl- 4- nitrophenyl)- 8- (phenylcarbonyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: O=C([C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1ccc(cc1C)[N+](=O)[O-])c1ccccc1

STK555147
Synonyms: 2- {[3- (2- methoxyphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}- N- (1,3- thiazol- 2- yl)acetamide
Smiles: COc1ccccc1n1c(SCC(=O)Nc2nccs2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK555148
Synonyms: (6Z)- 5- imino- 2- [2- oxo- 2- (piperidin- 1- yl)ethyl]- 6- [4- (3- phenoxypropoxy)benzylidene]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCCCC1)Cc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)OCCCOc3ccccc3)/C2=N)s1

STK555149
Synonyms: 3- (2,4- dimethylphenyl)- 6- iodo- 2- [(E)- 2- (5- nitrofuran- 2- yl)ethenyl]quinazolin- 4(3H)- one
Smiles: Cc1ccc(c(c1)C)n1c(/C=C/c2ccc(o2)[N+](=O)[O-])nc2c(c1=O)cc(cc2)I

STK555151
Synonyms: methyl4- [7,9- dichloro- 2- (furan- 2- yl)- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazin- 5- yl]benzoate
Smiles: COC(=O)c1ccc(cc1)C1Oc2c(Cl)cc(cc2C2N1N=C(C2)c1ccco1)Cl

STK555152
Synonyms: 2- imino- 1- [2- (4- methoxyphenyl)ethyl]- 10- methyl- N- [2- (morpholin- 4- yl)ethyl]- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxamide
Smiles: COc1ccc(cc1)CCn1c(=N)c(cc2c1nc1c(C)cccn1c2=O)C(=O)NCCN1CCOCC1

STK555153
Synonyms: (5E)- 2- (4- benzylpiperazin- 1- yl)- 5- {4- [(4- nitrobenzyl)oxy]benzylidene}- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C/c1ccc(cc1)OCc1ccc(cc1)[N+](=O)[O-])N1CCN(CC1)Cc1ccccc1

STK555155
Synonyms: N~2~- (3- chlorophenyl)- N~4~- (4- methoxyphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COc1ccc(cc1)Nc1nc(Nc2cccc(c2)Cl)nc(c1[N+](=O)[O-])N

STK555157
Synonyms: 2- {[10- ethyl- 10- methyl- 5- (methylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}- N- (1,3- thiazol- 2- yl)acetamide
Smiles: CCC1(C)OCc2c(C1)c1c(s2)nc(n2c1nnc2SCC(=O)Nc1nccs1)SC

STK555158
Synonyms: 2- [(E)- {2- [4- (2- methylphenyl)piperazin- 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)c1ccccc1C

STK555159
Synonyms: (6Z)- 5- imino- 6- {4- [(3- methylbenzyl)oxy]benzylidene}- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1cccc(c1)COc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK555160
Synonyms: 3- ethyl- 8,8- dimethyl- 2- [(4- nitrobenzyl)sulfanyl]- 3,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 4- one
Smiles: CCn1c(SCc2ccc(cc2)[N+](=O)[O-])nc2c(c1=O)cc1c(n2)CC(OC1)(C)C

STK555161
Synonyms: 1- (morpholin- 4- yl)- 3- [(4- nitrobenzyl)sulfanyl]- 5,6,7,8- tetrahydroisoquinoline- 4- carbonitrile
Smiles: N#Cc1c(SCc2ccc(cc2)[N+](=O)[O-])nc(c2c1CCCC2)N1CCOCC1

STK555162
Synonyms: 3- amino- 7- methoxy- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)N

STK555163
Synonyms: 6- ethyl- 6- methyl- 9- sulfanyl- 6,12- dihydrobenzo[h][1,2,4]triazolo[3,4- b]quinazolin- 7(5H)- one
Smiles: CCC1(C)Cc2ccccc2c2c1c(=O)n1c([nH]2)nnc1S

STK555164
Synonyms: 2- {[6- ethyl- 6- methyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}- N,N- diphenylacetamide
Smiles: CCCSc1nc(SCC(=O)N(c2ccccc2)c2ccccc2)c2c(n1)sc1c2CC(OC1)(C)CC

STK555165
Synonyms: 8,10- dibromo- 2,3- dihydro- 5H,6H- chromeno[2,3- d][1,3]thiazolo[3,2- a]pyrimidine- 5,6- dione
Smiles: Brc1cc(Br)c2c(c1)c(=O)c1c(o2)nc2n(c1=O)CCS2

STK555166
Synonyms: N- (2- chlorophenyl)- 2- {[3- (4- methoxyphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccccc2Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK555167
Synonyms: 4- (2- bromo- 4- methylphenoxy)- 2- (pyridin- 2- yl)quinazoline
Smiles: Cc1ccc(c(c1)Br)Oc1nc(nc2c1cccc2)c1ccccn1

STK555168
Synonyms: 3- (2,4- dimethylphenyl)- 2- [(E)- 2- (3- methylphenyl)ethenyl]quinazolin- 4(3H)- one
Smiles: Cc1ccc(c(c1)C)n1c(/C=C/c2cccc(c2)C)nc2c(c1=O)cccc2

STK555170
Synonyms: 1- (2,3- dihydro- 1,4- benzodioxin- 6- yl)- 3- [(2S)- 1- hydrazinyl- 4- (methylsulfanyl)- 1- oxobutan- 2- yl]urea(non- preferredname)
Smiles: CSCC[C@@H](C(=O)NN)NC(=O)Nc1ccc2c(c1)OCCO2

STK555171
Synonyms: 6- cyclohexyl- 3- (2,4- dichlorophenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Clc1ccc(c(c1)Cl)c1nnc2n1nc(s2)C1CCCCC1

STK555172
Synonyms: N- (3- chlorophenyl)- 2- {[4- oxo- 3- (prop- 2- en- 1- yl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2cccc(c2)Cl)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK555173
Synonyms: (6Z)- 6- {3- ethoxy- 4- [(2- methylbenzyl)oxy]benzylidene}- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(ccc1OCc1ccccc1C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK555174
Synonyms: (5,6- dimethoxy- 5,6- dimethyl- 1,4- dioxane- 2,3- diyl)dimethanediylbis(4- methylbenzenesulfonate)
Smiles: COC1(C)OC(COS(=O)(=O)c2ccc(cc2)C)C(OC1(C)OC)COS(=O)(=O)c1ccc(cc1)C

STK555175
Synonyms: N- (2,4- dimethoxyphenyl)- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: COc1cc(OC)ccc1NC(=O)c1ccc(=O)oc1

STK555176
Synonyms: 2- [(4- methylphenoxy)methyl]- 9- (propan- 2- yl)- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: Cc1ccc(cc1)OCc1nn2c(n1)c1c(nc2)sc2c1CCN(C2)C(C)C

STK555177
Synonyms: 5- (3- methylphenyl)- 3- (2- methylpropyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CC(CC1N(OC2C1C(=O)N(C2=O)c1cccc(c1)C)c1ccccc1)C

STK555178
Synonyms: 4- {[(8R,8aR,11aS,11bS)- 10- (4- methylphenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinolin- 8- yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2C=Cc3c([C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)C)cccc3

STK555180
Synonyms: (6Z)- 6- {4- [(3,4- dichlorobenzyl)oxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(cc1)OCc1ccc(c(c1)Cl)Cl)c1cccnc1

STK555181
Synonyms: 2- {[5- (4- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (3,4,5- trimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CSc2nnc(n2C)c2ccc(cc2)Br)cc(c1OC)OC

STK555183
Synonyms: 2,2- dimethyl- 5- (2- methylpropyl)- 8- (methylsulfanyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)CC(C)C

STK555184
Synonyms: methyl5- bromo- 3- ({[1- (4- methylphenyl)cyclopropyl]carbonyl}amino)- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C1(CC1)c1ccc(cc1)C)cc(cc2)Br

STK555185
Synonyms: (6Z)- 6- {4- [3- (2,5- dimethylphenoxy)propoxy]benzylidene}- 5- imino- 2- (thiophen- 2- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1ccc(c(c1)OCCCOc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccs1)C

STK555187
Synonyms: N~4~- (4- ethoxyphenyl)- N~2~- methyl- 5- nitro- N~2~- phenylpyrimidine- 2,4,6- triamine
Smiles: CCOc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N(c1ccccc1)C

STK555188
Synonyms: 6- (4- bromophenyl)- 4- (diphenylphosphoryl)- 4,5- dihydropyridazin- 3(2H)- one
Smiles: O=C1NN=C(CC1P(=O)(c1ccccc1)c1ccccc1)c1ccc(cc1)Br

STK555189
Synonyms: 3- (2- methoxyphenyl)- N- (3- methyl- 3- phenylpentyl)- 3- [4- (propan- 2- yloxy)phenyl]propanamide
Smiles: COc1ccccc1C(c1ccc(cc1)OC(C)C)CC(=O)NCCC(c1ccccc1)(CC)C

STK555190
Synonyms: (4aR,4bS,7aR,8S)- 6- (2- chlorophenyl)- 8- [(3,4- dimethoxyphenyl)carbonyl]- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: COc1cc(ccc1OC)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1Cl

STK555191
Synonyms: 4- [(3- chloro- 1,4- dioxo- 1,4- dihydronaphthalen- 2- yl)amino]phenylbenzenesulfonate
Smiles: ClC1=C(Nc2ccc(cc2)OS(=O)(=O)c2ccccc2)C(=O)c2c(C1=O)cccc2

STK555192
Synonyms: 2- {[3- (2- methylpropyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}- N- [3- (trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1cccc(c1)C(F)(F)F)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCCC3

STK555193
Synonyms: methyl3- ({[2- (2- hydroxyethyl)piperidin- 1- yl]acetyl}amino)- 6- methoxy- 1H- indole- 2- carboxylate
Smiles: OCCC1CCCCN1CC(=O)Nc1c([nH]c2c1ccc(c2)OC)C(=O)OC

STK555194
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(1E)- 1- phenylethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C(/c1ccccc1)\C

STK555195
Synonyms: N'- [(E)- 1H- indol- 3- ylmethylidene]- 2- (5- methyl- 1H- pyrazol- 1- yl)acetohydrazide
Smiles: O=C(Cn1nccc1C)N/N=C/c1c[nH]c2c1cccc2

STK555196
Synonyms: 3- (3- chlorophenyl)- 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)c1cccc(c1)Cl

STK555198
Synonyms: 6- ethyl- 6- methyl- 2- (methylsulfanyl)- 4- [(4- nitrobenzyl)sulfanyl]- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCC1(C)OCc2c(C1)c1c(SCc3ccc(cc3)[N+](=O)[O-])nc(nc1s2)SC

STK555202
Synonyms: 3- imino- 5- (3- methoxyphenyl)- 1,7- dimethyl- 2,6- dioxabicyclo[2.2.2]octane- 4,8,8- tricarbonitrile
Smiles: N#CC12C(=N)OC(OC1c1cccc(c1)OC)(C(C2(C#N)C#N)C)C

STK555203
Synonyms: ethyl(1'S,2'S)- 2'- (2,4- dimethoxyphenyl)- 1,3- dioxo- 1,1',2',3- tetrahydro- 3a'H- spiro[indene- 2,3'- pyrrolo[1,2- a]quinoline]- 1'- carboxylate
Smiles: CCOC(=O)[C@H]1N2c3ccccc3C=CC2[C@@]2([C@@H]1c1ccc(cc1OC)OC)C(=O)c1c(C2=O)cccc1

STK555205
Synonyms: 5- (3,4- dichlorophenyl)- 3- (4- hydroxy- 3- methoxyphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1cc(ccc1O)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(c(c1)Cl)Cl

STK555206
Synonyms: (4aR,4bS,7aR,8S)- 8- [(4- fluorophenyl)carbonyl]- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: O=C1NC(=O)[C@H]2[C@@H]1[C@H](N1[C@@H]2C=CC=N1)C(=O)c1ccc(cc1)F

STK555207
Synonyms: N- (4- methylphenyl)- 2- {[5- (morpholin- 4- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl]sulfanyl}propanamide
Smiles: O=C(C(Sc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1)C)Nc1ccc(cc1)C

STK555208
Synonyms: 6- (4- ethylpiperazin- 1- yl)- N~2~- methyl- 5- nitropyrimidine- 2,4- diamine
Smiles: CCN1CCN(CC1)c1nc(NC)nc(c1[N+](=O)[O-])N

STK555212
Synonyms: (4- bromophenyl)[(4- methoxyphenyl)amino]acetonitrile
Smiles: N#CC(c1ccc(cc1)Br)Nc1ccc(cc1)OC

STK555213
Synonyms: 2- {[3- (3- methoxyphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}- N- (1,3- thiazol- 2- yl)acetamide
Smiles: COc1cccc(c1)n1c(SCC(=O)Nc2nccs2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK555215
Synonyms: 2- {[3- (4- chlorophenyl)- 4- oxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl]sulfanyl}- N- (2,4- difluorophenyl)acetamide
Smiles: Clc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2F)F)nc2c(c1=O)c1CCCCc1s2

STK555216
Synonyms: N- (3- chlorophenyl)- 2- {[10- ethyl- 10- methyl- 5- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}acetamide
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)Nc1cccc(c1)Cl)nn2)CC(OC3)(C)CC

STK555218
Synonyms: (8S,8aR,11aS,11bS)- 8- (2,2- dimethylpropanoyl)- 10- (naphthalen- 2- yl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: O=C1N(c2ccc3c(c2)cccc3)C(=O)[C@H]2[C@@H]1[C@H](N1[C@@H]2c2ccccc2C=N1)C(=O)C(C)(C)C

STK555219
Synonyms: 3- [3- (1H- imidazol- 1- yl)propyl]- 7- methoxy- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)CCCn1cncc1

STK555220
Synonyms: 2- (3- butoxyphenyl)- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclohexane]
Smiles: CCCCOc1cccc(c1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCCC2

STK555221
Synonyms: 3- (2- chloro- 4- nitrophenyl)- 2- [(E)- 2- (4- ethylphenyl)ethenyl]- 6- iodoquinazolin- 4(3H)- one
Smiles: CCc1ccc(cc1)/C=C/c1nc2ccc(cc2c(=O)n1c1ccc(cc1Cl)[N+](=O)[O-])I

STK555222
Synonyms: N~2~- methyl- 5- nitro- N~2~- phenyl- 6- (piperidin- 1- yl)pyrimidine- 2,4- diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCC1)N(c1ccccc1)C

STK555223
Synonyms: (6Z)- 5- imino- 6- {3- methoxy- 4- [3- (4- methoxyphenoxy)propoxy]benzylidene}- 2- (thiophen- 2- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCCCOc1ccc(cc1)OC)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccs1

STK555224
Synonyms: (6aS,6bR,9aS,10R)- 3- chloro- 8- (4- chlorophenyl)- 5- methyl- 10- (phenylcarbonyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: Clc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=C(C)c2c1ccc(c2)Cl)C(=O)c1ccccc1

STK555225
Synonyms: N- (3- methoxypropyl)- 2,2,5- trimethyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- amine
Smiles: COCCCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)C

STK555227
Synonyms: 1- phenyl- 1H- tetrazol- 5- yl(1E)- N- (4- nitrophenyl)- 2- oxo- 2- phenylethanehydrazonothioate
Smiles: O=C(/C(=N\Nc1ccc(cc1)[N+](=O)[O-])/Sc1nnnn1c1ccccc1)c1ccccc1

STK555228
Synonyms: 3- butyl- 2- [(2- chlorobenzyl)sulfanyl]- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: CCCCn1c(SCc2ccccc2Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK555230
Synonyms: N~2~- (3- aminopropyl)- N~4~- (3- methylphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: NCCCNc1nc(Nc2cccc(c2)C)c(c(n1)N)[N+](=O)[O-]

STK555231
Synonyms: 4- {[3,3- dicyano- 2- (furan- 2- yl)- 1,2,3,3a- tetrahydropyrrolo[1,2- a]quinolin- 1- yl]carbonyl}phenylacetate(non- preferredname)
Smiles: N#CC1(C#N)C(c2ccco2)C(N2C1C=Cc1c2cccc1)C(=O)c1ccc(cc1)OC(=O)C

STK555232
Synonyms: 4- {[(8R,8aR,11aS,11bS)- 10- (2,4- dichlorophenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinolin- 8- yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2C=Cc3c([C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1Cl)Cl)cccc3

STK555233
Synonyms: 6- (4- bromophenyl)- 3- (4- ethoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc(cc1)Br

STK555236
Synonyms: N- (3- chlorophenyl)- 2- {[3- (4- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)CCCCC3

STK555237
Synonyms: 3- (2- chloro- 4- nitrophenyl)- 2- [(E)- 2- (2- hydroxyphenyl)ethenyl]- 6- iodoquinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccccc1O)c1ccc(cc1Cl)[N+](=O)[O-]

STK555238
Synonyms: (1'S,2'S,3R,3a'R)- 1'- (2,2- dimethylpropanoyl)- 7'- methoxy- 2'- [(4- propylphenyl)carbonyl]- 1',2'- dihydro- 3a'H- spiro[indole- 3,3'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: CCCc1ccc(cc1)C(=O)[C@@H]1[C@H](N2[C@@H]([C@]31C(=O)Nc1c3cccc1)C=Cc1c2ccc(c1)OC)C(=O)C(C)(C)C

STK555239
Synonyms: 3,3'- (hydroxyimino)bis[1- (2- fluorophenyl)pyrrolidine- 2,5- dione]
Smiles: ON(C1CC(=O)N(C1=O)c1ccccc1F)C1CC(=O)N(C1=O)c1ccccc1F

STK555240
Synonyms: (2Z)- 2- [4- (2- oxo- 2H- chromen- 3- yl)- 1,3- thiazol- 2- yl]- 3- (3,4,5- trimethoxyphenyl)prop- 2- enenitrile
Smiles: N#C/C(=C/c1cc(OC)c(c(c1)OC)OC)/c1scc(n1)c1cc2ccccc2oc1=O

STK555241
Synonyms: ethyl{[3- (4- ethoxyphenyl)- 6,6- dimethyl- 4- oxo- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)OCC)CC(OC3)(C)C

STK555243
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (4- fluorophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1ccc(cc1)F

STK555244
Synonyms: 3- (4- chlorophenyl)- 6- (2,5- dimethoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: COc1ccc(c(c1)C1=Nn2c(SC1)nnc2c1ccc(cc1)Cl)OC

STK555246
Synonyms: methyl3- {[(2,6- difluorophenyl)carbonyl]amino}- 6- methoxy- 1H- indole- 2- carboxylate
Smiles: COc1ccc2c(c1)[nH]c(c2NC(=O)c1c(F)cccc1F)C(=O)OC

STK555247
Synonyms: 6- (2,5- dimethoxyphenyl)- 3- (3- ethoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CCOc1cccc(c1)c1nnc2n1N=C(CS2)c1cc(OC)ccc1OC

STK555248
Synonyms: N- (5- iodopyridin- 2- yl)- 4,7,7- trimethyl- 3- oxobicyclo[2.2.1]heptane- 1- carboxamide
Smiles: Ic1ccc(nc1)NC(=O)C12CCC(C2(C)C)(C(=O)C1)C

STK555250
Synonyms: N,N'- [pyrimidine- 2,4- diylbis(sulfanediylmethanediyl)]bis(4- chlorobenzamide)
Smiles: Clc1ccc(cc1)C(=O)NCSc1ccnc(n1)SCNC(=O)c1ccc(cc1)Cl

STK555251
Synonyms: 3- (4- chlorophenyl)- 2- [(2,6- difluorobenzyl)sulfanyl]- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: Clc1ccc(cc1)n1c(SCc2c(F)cccc2F)nc2c(c1=O)c1CCCCc1s2

STK555252
Synonyms: N- (4- chlorophenyl)- 2- {[6- ethyl- 6- methyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2ccc(cc2)Cl)c2c(n1)sc1c2CC(OC1)(C)CC

STK555254
Synonyms: (6Z)- 6- {4- [3- (2,3- dimethylphenoxy)propoxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(cc1)OCCCOc1cccc(c1C)C)c1cccnc1

STK555255
Synonyms: 3- (2- chloro- 4- nitrophenyl)- 2- [(E)- 2- phenylethenyl]quinazolin- 4(3H)- one
Smiles: [O-][N+](=O)c1ccc(c(c1)Cl)n1c(/C=C/c2ccccc2)nc2c(c1=O)cccc2

STK555257
Synonyms: (6Z)- 6- {4- [2- (3,4- dimethylphenoxy)ethoxy]benzylidene}- 5- imino- 2- (thiophen- 2- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(cc1)OCCOc1ccc(c(c1)C)C)c1cccs1

STK555258
Synonyms: 3- (4- chloro- 2- oxo- 3- phenyl- 2,3- dihydro- 1,3- thiazol- 5- yl)- 2- phenyl- 5- (4- propoxyphenyl)dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCCOc1ccc(cc1)N1C(=O)C2C(C1=O)ON(C2c1sc(=O)n(c1Cl)c1ccccc1)c1ccccc1

STK555259
Synonyms: N- [2- (morpholin- 4- yl)ethyl]- 2- oxo- 2H- pyran- 5- carboxamide
Smiles: O=c1ccc(co1)C(=O)NCCN1CCOCC1

STK555260
Synonyms: (6E)- 6- ({1- [3- (2- chlorophenoxy)propyl]- 1H- indol- 3- yl}methylidene)- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C\c1cn(c2c1cccc2)CCCOc1ccccc1Cl)c1cccnc1

STK555261
Synonyms: N- (2,4- dimethoxyphenyl)- 2- {[2,2- dimethyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]sulfanyl}acetamide
Smiles: COc1cc(OC)ccc1NC(=O)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1

STK555263
Synonyms: (3S,3a'S,6a'R)- 5'- (3- chlorophenyl)- 3a',6a'- dihydro- 2'H- spiro[indole- 3,1'- pyrrolo[3,4- c]pyrrole]- 2,4',6'(1H,3'H,5'H)- trione
Smiles: Clc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(NC2)C(=O)Nc2c1cccc2

STK555268
Synonyms: 2- [(5- amino- 10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl)sulfanyl]- N- (4- chlorophenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)Cl)CSc1nnc2n1c(N)nc1c2c2CC(C)(C)OCc2s1

STK555269
Synonyms: (6aS,6bR,9aS,10R)- N- (2,5- dimethoxyphenyl)- 8- (4- nitrophenyl)- 7,9- dioxo- 6b,7,8,9,9a,10- hexahydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 10- carboxamide
Smiles: COc1ccc(c(c1)NC(=O)[C@@H]1N2[C@H]([C@H]3[C@@H]1C(=O)N(C3=O)c1ccc(cc1)[N+](=O)[O-])C=Cc1c2cccc1)OC

STK555270
Synonyms: 5- (3,4- dichlorophenyl)- 3- (2- methoxyphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1ccccc1C1N(OC2C1C(=O)N(C2=O)c1ccc(c(c1)Cl)Cl)c1ccccc1

STK555271
Synonyms: 2- oxo- N- [(1- phenylcyclopentyl)methyl]- 2- (piperidin- 1- yl)acetamide
Smiles: O=C(C(=O)NCC1(CCCC1)c1ccccc1)N1CCCCC1

STK555273
Synonyms: (2'R,3'R)- 3'- acetyl- 2,2- dimethyl- 2'- (4- nitrophenyl)- 2',3'- dihydro- 10b'H- spiro[1,3- dioxane- 5,1'- pyrrolo[2,1- a]phthalazine]- 4,6- dione
Smiles: CC(=O)[C@@H]1N2N=Cc3c(C2C2([C@H]1c1ccc(cc1)[N+](=O)[O-])C(=O)OC(OC2=O)(C)C)cccc3

STK555274
Synonyms: 3- (2- methylpropyl)- 2- (prop- 2- en- 1- ylsulfanyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: C=CCSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCCC3

STK555275
Synonyms: 7- methoxy- 4- (pyrrolidin- 1- yl)- 5H- pyrimido[5,4- b]indole
Smiles: COc1ccc2c(c1)[nH]c1c2ncnc1N1CCCC1

STK555276
Synonyms: 1- [(2- chlorobenzyl)sulfanyl]- 4- ethyl- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CCn1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCc1ccccc1Cl

STK555277
Synonyms: N'- [2- ethyl- 2- methyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]- N,N- dimethylpropane- 1,3- diamine
Smiles: CCC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1ncnc2NCCCN(C)C

STK555278
Synonyms: ethyl{[10- ethyl- 10- methyl- 5- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}acetate
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)OCC)nn2)CC(OC3)(C)CC

STK555279
Synonyms: 2- (4- {(E)- [2- ({1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(4- fluorophenoxy)methyl]- 1H- 1,2,3- triazol- 4- yl}carbonyl)hydrazinylidene]methyl}- 2- ethoxyphenoxy)acetamide
Smiles: CCOc1cc(/C=N/NC(=O)c2nnn(c2COc2ccc(cc2)F)c2nonc2N)ccc1OCC(=O)N

STK555280
Synonyms: 7- (4- fluorobenzyl)- 1,3- dimethyl- 8- [(2E)- 2- (1- phenylethylidene)hydrazinyl]- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Fc1ccc(cc1)Cn1c(N/N=C(/c2ccccc2)\C)nc2c1c(=O)n(c(=O)n2C)C

STK555281
Synonyms: N- (2- methoxyphenyl)- 2- (4- methylpiperazin- 1- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: COc1ccccc1Nc1nc(nc(c1[N+](=O)[O-])N)N1CCN(CC1)C

STK555282
Synonyms: 2- ({6- amino- 2- [(4- methylbenzyl)amino]- 5- nitropyrimidin- 4- yl}amino)ethanol
Smiles: OCCNc1nc(NCc2ccc(cc2)C)nc(c1[N+](=O)[O-])N

STK555283
Synonyms: N- (4- ethoxyphenyl)- 2- {[6- ethyl- 6- methyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2ccc(cc2)OCC)c2c(n1)sc1c2CC(OC1)(C)CC

STK555284
Synonyms: 6,6- dimethyl- 2- (naphthalen- 1- yl)- 5,7- dinitro- 1,3- diazatricyclo[3.3.1.1~3,7~]decane
Smiles: [O-][N+](=O)C12CN3CC(C2(C)C)(CN(C1)C3c1cccc2c1cccc2)[N+](=O)[O-]

STK555285
Synonyms: N- (2,4- dimethoxyphenyl)- 2- {[5- (morpholin- 4- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8- yl]sulfanyl}acetamide
Smiles: COc1cc(OC)ccc1NC(=O)CSc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCOCC1

STK555286
Synonyms: 5- (benzylsulfanyl)- 8,9,10,11- tetrahydro[1]benzothieno[3,2- e]tetrazolo[1,5- c]pyrimidine
Smiles: c1ccc(cc1)CSc1nc2sc3c(c2c2n1nnn2)CCCC3

STK555287
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- pyridin- 2- ylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1ccccn1

STK555289
Synonyms: 3- (4- ethoxyphenyl)- 7- methyl- 2- [(2- oxo- 2- phenylethyl)sulfanyl]- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)c2ccccc2)nc2c(c1=O)c1CCN(Cc1s2)C

STK555290
Synonyms: 9'- bromo- 4- methyl- 2'- (5- methylthiophen- 2- yl)- 1',10b'- dihydrospiro[cyclohexane- 1,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CC1CCC2(CC1)Oc1ccc(cc1C1N2N=C(C1)c1ccc(s1)C)Br

STK555293
Synonyms: N- (furan- 2- ylmethyl)- 6,6- dimethyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: CCCSc1nc(NCc2ccco2)c2c(n1)sc1c2CC(OC1)(C)C

STK555295
Synonyms: 6- (4- ethoxyphenyl)- 3- (pyridin- 2- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2c1ccccn1

STK555296
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (5- methylfuran- 2- yl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1ccc(o1)C

STK555298
Synonyms: 2- (2- methoxy- 4- {(E)- [2- ({[5- (3- nitrophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenoxy)acetamide
Smiles: COc1cc(/C=N/NC(=O)CSc2nnc(n2c2ccccc2)c2cccc(c2)[N+](=O)[O-])ccc1OCC(=O)N

STK555301
Synonyms: N- benzyl- 3- (4- methoxyphenyl)- 4- methylpentanamide
Smiles: COc1ccc(cc1)C(C(C)C)CC(=O)NCc1ccccc1

STK555302
Synonyms: N- (1- ethyl- 6- methyl- 1H- pyrazolo[3,4- b]quinolin- 3- yl)- 2- methylpropanamide
Smiles: CCn1nc(c2c1nc1ccc(cc1c2)C)NC(=O)C(C)C

STK555303
Synonyms: 4- (4- chlorophenyl)- 1- [(2,6- dichlorobenzyl)sulfanyl]- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Clc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCc1c(Cl)cccc1Cl

STK555304
Synonyms: 9'- bromo- 2'- (2- methoxyphenyl)- 1- propyl- 1',10b'- dihydrospiro[piperidine- 4,5'- pyrazolo[1,5- c][1,3]benzoxazine]
Smiles: CCCN1CCC2(CC1)Oc1ccc(cc1C1N2N=C(C1)c1ccccc1OC)Br

STK555305
Synonyms: methyl6- methoxy- 3- ({[3- methyl- 4- (3- methylphenyl)piperazin- 1- yl]acetyl}amino)- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(C(C1)C)c1cccc(c1)C)ccc(c2)OC

STK555306
Synonyms: (4- methoxyphenyl)[(4- methoxyphenyl)amino]acetonitrile
Smiles: COc1ccc(cc1)NC(c1ccc(cc1)OC)C#N

STK555307
Synonyms: 10- ethyl- 10- methyl- 3- [(4- nitrobenzyl)sulfanyl]- 5- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCc1ccc(cc1)[N+](=O)[O-])nn2)CC(OC3)(C)CC

STK555308
Synonyms: N- (4- ethoxyphenyl)- 2- {[10- ethyl- 10- methyl- 5- (methylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nnc2n1c(SC)nc1c2c2CC(C)(CC)OCc2s1

STK555311
Synonyms: 3- benzyl- 6- iodo- 2- [(3- methylbutyl)sulfanyl]quinazolin- 4(3H)- one
Smiles: CC(CCSc1nc2ccc(cc2c(=O)n1Cc1ccccc1)I)C

STK555313
Synonyms: 2- {[10- ethyl- 10- methyl- 5- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}acetamide
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)N)nn2)CC(OC3)(C)CC

STK555314
Synonyms: N'- [(E)- (2- chlorophenyl)methylidene]- 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1ccccc1Cl

STK555315
Synonyms: 3- (2- chloro- 4- nitrophenyl)- 2- pentylquinazolin- 4(3H)- one
Smiles: CCCCCc1nc2ccccc2c(=O)n1c1ccc(cc1Cl)[N+](=O)[O-]

STK555317
Synonyms: (8S,8aR,11aS,11bS)- 10- (4- methylphenyl)- 9,11- dioxo- N- phenyl- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 8- carboxamide
Smiles: Cc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)Nc2ccccc2)C=Cc2c1cccc2

STK555318
Synonyms: 2- {[2- (benzylsulfanyl)- 6,6- dimethyl- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}acetamide
Smiles: NC(=O)CSc1nc(SCc2ccccc2)nc2c1c1CC(C)(C)OCc1s2

STK555319
Synonyms: 2- {[3- (2- methylpropyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: CC(Cn1c(SCC(=O)N)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1)C

STK555320
Synonyms: (2Z)- 2- cyano- 2- [3- (3,4- dimethylphenyl)- 4- oxo- 5- (2- propoxybenzyl)- 1,3- thiazolidin- 2- ylidene]- N- (4- methylphenyl)ethanamide
Smiles: CCCOc1ccccc1CC1S/C(=C(\C(=O)Nc2ccc(cc2)C)/C#N)/N(C1=O)c1ccc(c(c1)C)C

STK555322
Synonyms: [2- (benzyloxy)phenyl][(2- methoxyphenyl)amino]acetonitrile
Smiles: N#CC(c1ccccc1OCc1ccccc1)Nc1ccccc1OC

STK555323
Synonyms: 2- {[3- (3- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}- N- (1,3- thiazol- 2- yl)acetamide
Smiles: O=C(Nc1nccs1)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1cccc(c1)C)CCCCC3

STK555325
Synonyms: 2- (5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclohexan]- 2- yl)phenol
Smiles: Oc1ccccc1c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCCC2

STK555326
Synonyms: 4- [(2'R,3'R)- 3'- acetyl- 2,2- dimethyl- 4,6- dioxo- 2',3'- dihydro- 10b'H- spiro[1,3- dioxane- 5,1'- pyrrolo[2,1- a]phthalazin]- 2'- yl]- 2- methoxyphenylacetate
Smiles: COc1cc(ccc1OC(=O)C)[C@H]1[C@H](C(=O)C)N2C(C31C(=O)OC(OC3=O)(C)C)c1ccccc1C=N2

STK555328
Synonyms: (3aR,6aS)- 3- (4- bromophenyl)- 5- [4- chloro- 3- (trifluoromethyl)phenyl]- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: Brc1ccc(cc1)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(c(c1)C(F)(F)F)Cl

STK555329
Synonyms: N- (3- chloro- 4- methoxyphenyl)- 2- [(3- ethyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl)sulfanyl]acetamide
Smiles: COc1ccc(cc1Cl)NC(=O)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC)CCCC3

STK555330
Synonyms: 2- {[6- amino- 2- (4- methylpiperidin- 1- yl)- 5- nitropyrimidin- 4- yl]amino}ethanol
Smiles: OCCNc1nc(nc(c1[N+](=O)[O-])N)N1CCC(CC1)C

STK555331
Synonyms: 6- (4- bromophenyl)- 3- (3- chlorophenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Brc1ccc(cc1)c1nn2c(s1)nnc2c1cccc(c1)Cl

STK555332
Synonyms: (6E)- 6- [4- (dimethylamino)benzylidene]- 5- imino- 2- [2- (morpholin- 4- yl)- 2- oxoethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCOCC1)Cc1nn2c(=NC(=O)/C(=C/c3ccc(cc3)N(C)C)/C2=N)s1

STK555333
Synonyms: (6Z)- 6- {4- [3- (2,5- dimethylphenoxy)propoxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1ccc(c(c1)OCCCOc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1)C

STK555335
Synonyms: methyl5- methyl- 3- [(2- phenylbutanoyl)amino]- 1H- indole- 2- carboxylate
Smiles: CCC(c1ccccc1)C(=O)Nc1c([nH]c2c1cc(C)cc2)C(=O)OC

STK555336
Synonyms: 11- {[(E)- (3- chlorophenyl)methylidene]amino}- 3- (2- phenylethyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: Clc1cccc(c1)/C=N/n1c2ncn(c(=O)c2c2c1nc1ccccc1n2)CCc1ccccc1

STK555337
Synonyms: 10- (morpholin- 4- yl)- 2,7,8,9- tetrahydro- 3H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[2,3- e][1,2,4]triazolo[4,3- c]pyrimidine- 3- thione
Smiles: S=c1[nH]nc2n1cnc1c2sc2c1c1CCCc1c(n2)N1CCOCC1

STK555338
Synonyms: 3- [5- (2,3- dimethylphenoxy)pentyl]- 2- (4- methoxyphenyl)quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCOc1cccc(c1C)C

STK555339
Synonyms: 4- [3- (4- methoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazin- 6- yl]benzene- 1,2- diol
Smiles: COc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc(c(c1)O)O

STK555340
Synonyms: N- [2- (diethylamino)ethyl]- 1- [(2- hydroxyethyl)amino]- 9,10- dioxo- 9,10- dihydroanthracene- 2- carboxamide
Smiles: OCCNc1c(ccc2c1C(=O)c1c(C2=O)cccc1)C(=O)NCCN(CC)CC

STK555341
Synonyms: 3- (2- methylpropyl)- 2,5- diphenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CC(CC1N(OC2C1C(=O)N(C2=O)c1ccccc1)c1ccccc1)C

STK555342
Synonyms: (5Z)- 5- [(3- {3- [(4- fluorobenzyl)oxy]phenyl}- 1- phenyl- 1H- pyrazol- 4- yl)methylidene]- 2- (piperidin- 1- yl)- 1,3- thiazol- 4(5H)- one
Smiles: Fc1ccc(cc1)COc1cccc(c1)c1nn(cc1/C=C/1\SC(=NC1=O)N1CCCCC1)c1ccccc1

STK555343
Synonyms: (4aR,4bS,7aR,8S)- 8- [(3,4- dimethoxyphenyl)carbonyl]- 6- (2- methyl- 5- nitrophenyl)- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: COc1cc(ccc1OC)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cc(ccc1C)[N+](=O)[O-]

STK555344
Synonyms: 8- ethoxy- 5- (piperidin- 1- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinoline
Smiles: CCOc1ncnc2c1sc1c2c2CCCCc2c(n1)N1CCCCC1

STK555346
Synonyms: 3- (3- chlorophenyl)- 1- (2- oxo- 2- phenylethyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidine- 2,4(1H,3H)- dione
Smiles: Clc1cccc(c1)n1c(=O)n(CC(=O)c2ccccc2)c2c(c1=O)c1CCCCc1s2

STK555348
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(1E)- 1- (3- methoxyphenyl)ethylidene]- 5- [(phenylamino)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1cccc(c1)/C(=N/NC(=O)c1nnn(c1CNc1ccccc1)c1nonc1N)/C

STK555349
Synonyms: 6- cyclohexyl- 3- (4- methylphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Cc1ccc(cc1)c1nnc2n1nc(s2)C1CCCCC1

STK555350
Synonyms: (1'S,2'S,3R,3a'R)- 2'- [(2- chlorophenyl)carbonyl]- 1'- (furan- 2- ylcarbonyl)- 1',2'- dihydro- 3a'H- spiro[indole- 3,3'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: O=C([C@H]1N2c3ccccc3C=C[C@@H]2[C@]2([C@@H]1C(=O)c1ccccc1Cl)C(=O)Nc1c2cccc1)c1ccco1

STK555351
Synonyms: (6E)- 6- {[1- (2- fluorobenzyl)- 1H- indol- 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: O=C(N1CCOCC1)Cc1nn2c(=NC(=O)/C(=C/c3cn(c4c3cccc4)Cc3ccccc3F)/C2=N)s1

STK555352
Synonyms: N~2~- [2- (morpholin- 4- yl)ethyl]- 5- nitro- N~4~- (tetrahydrofuran- 2- ylmethyl)pyrimidine- 2,4,6- triamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1NCC1CCCO1)NCCN1CCOCC1

STK555354
Synonyms: 2- [4- (4- tert- butylphenoxy)quinazolin- 2- yl]- 6- methoxyphenol
Smiles: COc1cccc(c1O)c1nc(Oc2ccc(cc2)C(C)(C)C)c2c(n1)cccc2

STK555355
Synonyms: methyl7- acetyl- 1- (2- methoxyphenyl)- 8- methyl- 9- phenyl- 4,6- dithia- 1,2,9- triazaspiro[4.4]nona- 2,7- diene- 3- carboxylate
Smiles: COC(=O)C1=NN(C2(S1)SC(=C(N2c1ccccc1)C)C(=O)C)c1ccccc1OC

STK555356
Synonyms: 3- hexyl- 2- methyl- 11- (4- methylphenyl)- 3,11- dihydro- 4H- pyrimido[5',4':4,5]pyrrolo[2,3- b]quinoxalin- 4- one
Smiles: CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(cc1)C

STK555357
Synonyms: (8S,8aR,11aS,11bS)- 10- (3- chlorophenyl)- 9,11- dioxo- N- phenyl- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 8- carboxamide
Smiles: Clc1cccc(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)Nc2ccccc2)C=Cc2c1cccc2

STK555358
Synonyms: 2- {[5- (4- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- phenylmethylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C/c1ccccc1

STK555360
Synonyms: (6E)- 5- imino- 6- {[1- (4- methoxyphenyl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]methylidene}- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK555362
Synonyms: 4- [(2E)- 2- (2- hydroxybenzylidene)hydrazinyl]- N- (4- methoxyphenyl)- 4- oxobutanamide
Smiles: COc1ccc(cc1)NC(=O)CCC(=O)N/N=C/c1ccccc1O

STK555363
Synonyms: 1- (furan- 2- ylmethyl)- 7,7- dimethyl- 2- (4- methylphenyl)- 1,5,7,8- tetrahydro- 4H- pyrano[4,3- d]pyrimidine- 4- thione
Smiles: Cc1ccc(cc1)c1nc(=S)c2c(n1Cc1ccco1)CC(OC2)(C)C

STK555364
Synonyms: 6- (biphenyl- 4- yl)- 3- cyclohexyl- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: C1CCC(CC1)c1nnc2n1N=C(CS2)c1ccc(cc1)c1ccccc1

STK555365
Synonyms: (2Z)- N- (2- chlorophenyl)- 2- cyano- 2- [3- (3,4- dimethylphenyl)- 5- (3- methoxybenzyl)- 4- oxo- 1,3- thiazolidin- 2- ylidene]ethanamide
Smiles: N#C/C(=C\1/SC(C(=O)N1c1ccc(c(c1)C)C)Cc1cccc(c1)OC)/C(=O)Nc1ccccc1Cl

STK555366
Synonyms: 4- (3- chlorophenyl)- 7,7- dimethyl- 6,9- dihydro- 7H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Clc1cccc(c1)n1c(=O)c2c3CC(C)(C)OCc3sc2n2c1nnc2

STK555367
Synonyms: 6- (4- ethylpiperazin- 1- yl)- N~2~- (3- methylphenyl)- 5- nitropyrimidine- 2,4- diamine
Smiles: CCN1CCN(CC1)c1nc(Nc2cccc(c2)C)nc(c1[N+](=O)[O-])N

STK555369
Synonyms: 2- (benzylsulfanyl)- 6,6- dimethyl- 4- [(2- phenylethyl)sulfanyl]- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CC1(C)OCc2c(C1)c1c(SCCc3ccccc3)nc(nc1s2)SCc1ccccc1

STK555370
Synonyms: 2- (benzylsulfanyl)- N- (3- methoxypropyl)- 6,7- dihydro- 5H- cyclopenta[4,5]thieno[2,3- d]pyrimidin- 4- amine
Smiles: COCCCNc1nc(SCc2ccccc2)nc2c1c1CCCc1s2

STK555372
Synonyms: 2- [(4- oxo- 3- phenyl- 3,4,6,7,8,9- hexahydropyrimido[4,5- b]quinolin- 2- yl)sulfanyl]- N- phenylacetamide
Smiles: O=C(Nc1ccccc1)CSc1nc2nc3CCCCc3cc2c(=O)n1c1ccccc1

STK555375
Synonyms: 7- [2- (1,3- benzoxazol- 2- ylsulfanyl)ethyl]- 8- (4- benzylpiperazin- 1- yl)- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Cn1c(=O)n(C)c(=O)c2c1nc(n2CCSc1nc2c(o1)cccc2)N1CCN(CC1)Cc1ccccc1

STK555376
Synonyms: 1- [2- (3,4- dimethoxyphenyl)ethyl]- 2- (4- methoxyphenyl)- 7,7- dimethyl- 4,4- bis(trifluoromethyl)- 4,6,7,8- tetrahydroquinazolin- 5(1H)- one
Smiles: COc1ccc(cc1)C1=NC(C2=C(N1CCc1ccc(c(c1)OC)OC)CC(CC2=O)(C)C)(C(F)(F)F)C(F)(F)F

STK555377
Synonyms: 2- [(2,4- dichlorobenzyl)sulfanyl]- 3- methyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: Clc1ccc(c(c1)Cl)CSc1nc2sc3c(c2c(=O)n1C)CCCC3

STK555379
Synonyms: 3- (4- chlorophenyl)- 1- [2- (4- chlorophenyl)- 2- oxoethyl]- 6,6- dimethyl- 1,5,6,8- tetrahydro- 2H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine- 2,4(3H)- dione
Smiles: Clc1ccc(cc1)C(=O)Cn1c2sc3c(c2c(=O)n(c1=O)c1ccc(cc1)Cl)CC(OC3)(C)C

STK555381
Synonyms: N- phenyl- N'- (pyridin- 3- yl)ethanediamide
Smiles: O=C(C(=O)Nc1ccccc1)Nc1cccnc1

STK555382
Synonyms: 2- {[4- amino- 5- nitro- 6- (piperidin- 1- yl)pyrimidin- 2- yl]amino}ethanol
Smiles: OCCNc1nc(N2CCCCC2)c(c(n1)N)[N+](=O)[O-]

STK555383
Synonyms: 4- [(2,4- dichlorobenzyl)sulfanyl]- 6- ethyl- 6- methyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CCCSc1nc(SCc2ccc(cc2Cl)Cl)c2c(n1)sc1c2CC(OC1)(C)CC

STK555384
Synonyms: 2- (4- methoxyphenyl)- 9- (propan- 2- yl)- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidine
Smiles: COc1ccc(cc1)c1nn2c(n1)c1c(nc2)sc2c1CCN(C2)C(C)C

STK555386
Synonyms: N'- {(E)- [2- (benzyloxy)phenyl]methylidene}- 2- {[5- (4- bromophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1ccc(cc1)Br)N/N=C/c1ccccc1OCc1ccccc1

STK555387
Synonyms: 4- {[(8R,8aR,11aS,11bS)- 10- (2- chlorophenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinolin- 8- yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2C=Cc3c([C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1Cl)cccc3

STK555392
Synonyms: 9- (4- ethoxyphenyl)- 5- (morpholin- 4- yl)- 1,2,3,4- tetrahydropyrimido[4',5':4,5]thieno[2,3- c]isoquinolin- 8(9H)- one
Smiles: CCOc1ccc(cc1)n1cnc2c(c1=O)sc1c2c2CCCCc2c(n1)N1CCOCC1

STK555393
Synonyms: 6- cyclohexyl- 3- (4- methoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: COc1ccc(cc1)c1nnc2n1nc(s2)C1CCCCC1

STK555396
Synonyms: 7- methoxy- 3- (tetrahydrofuran- 2- ylmethyl)- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)CC1CCCO1

STK555400
Synonyms: 3- (2,4- dimethoxyphenyl)- 5- (2- methylphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1cc(OC)ccc1C1N(OC2C1C(=O)N(C2=O)c1ccccc1C)c1ccccc1

STK555402
Synonyms: 3- (4- chlorophenyl)- 1- [2- (4- chlorophenyl)- 2- oxoethyl]- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidine- 2,4(1H,3H)- dione
Smiles: Clc1ccc(cc1)C(=O)Cn1c2sc3c(c2c(=O)n(c1=O)c1ccc(cc1)Cl)CCCC3

STK555403
Synonyms: N- benzyl- 2- {[5- (benzylsulfanyl)- 9,10- dihydro- 8H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}acetamide
Smiles: O=C(CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCc2s1)NCc1ccccc1

STK555406
Synonyms: 2- [(5- {[(4,6- dimethylpyrimidin- 2- yl)sulfanyl]methyl}- 4- phenyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]- N- (4- sulfamoylphenyl)acetamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)N)CSc1nnc(n1c1ccccc1)CSc1nc(C)cc(n1)C

STK555407
Synonyms: N- [4- (diethylamino)phenyl]- 2- {[4- (4- methylphenyl)- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCN(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccncc1)CC

STK555408
Synonyms: (8S,8aR,11aS,11bS)- 10- (naphthalen- 1- yl)- 9,11- dioxo- N- phenyl- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 8- carboxamide
Smiles: O=C([C@H]1N2C=Cc3c([C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cccc2c1cccc2)cccc3)Nc1ccccc1

STK555409
Synonyms: N- [4- (butan- 2- yl)phenyl]- 2- {[5- (4- tert- butylphenyl)- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C(CC)C)nnc1c1ccc(cc1)C(C)(C)C

STK555412
Synonyms: 8- {[benzyl(methyl)amino]methyl}- 1,3- dimethyl- 7- (3- oxobutan- 2- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: CN(Cc1nc2c(n1C(C(=O)C)C)c(=O)n(c(=O)n2C)C)Cc1ccccc1

STK555413
Synonyms: 2- {[5- (3- bromophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(E)- (3- nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1cccc(c1)Br)N/N=C/c1cccc(c1)[N+](=O)[O-]

STK555414
Synonyms: 8,8- dimethyl- 3- (3- methylbutyl)- 2- propyl- 7,10- dihydro- 8H- pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 4(3H)- one
Smiles: CCCc1nc2c3cc4COC(Cc4nc3sc2c(=O)n1CCC(C)C)(C)C

STK555415
Synonyms: (4aR,4bS,7aR,8S)- 6- (4- acetylphenyl)- 8- [(4- fluorophenyl)carbonyl]- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: Fc1ccc(cc1)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)C(=O)C

STK555416
Synonyms: (6Z)- 6- {4- [(4- fluorobenzyl)oxy]- 3- methoxybenzylidene}- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCc1ccc(cc1)F)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK555418
Synonyms: N~2~,N~2~- dimethyl- 5- nitro- 6- (piperidin- 1- yl)pyrimidine- 2,4- diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCC1)N(C)C

STK555419
Synonyms: 2- [(2,4- dimethylbenzyl)sulfanyl]- 3- methoxyquinazolin- 4(3H)- one
Smiles: COn1c(SCc2ccc(cc2C)C)nc2c(c1=O)cccc2

STK555420
Synonyms: 2- {[3- (4- ethoxyphenyl)- 6,6- dimethyl- 4- oxo- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 2- yl]sulfanyl}- N- (4- methylphenyl)acetamide
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK555421
Synonyms: 3- methoxy- 2- [(2- methoxyethyl)sulfanyl]quinazolin- 4(3H)- one
Smiles: COCCSc1nc2ccccc2c(=O)n1OC

STK555422
Synonyms: (6Z)- 6- {4- [(4- chlorobenzyl)oxy]benzylidene}- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Clc1ccc(cc1)COc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK555425
Synonyms: 2- {[2- (4- methoxyphenyl)- 7,7- dimethyl- 7,8- dihydro- 5H- pyrano[4,3- d]pyrimidin- 4- yl]sulfanyl}- N- [3- (trifluoromethyl)phenyl]acetamide
Smiles: COc1ccc(cc1)c1nc(SCC(=O)Nc2cccc(c2)C(F)(F)F)c2c(n1)CC(OC2)(C)C

STK555427
Synonyms: (4aR,4bS,7aR,8S)- 6- (2- methyl- 4- nitrophenyl)- 5,7- dioxo- N- phenyl- 4b,5,6,7,7a,8- hexahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 8- carboxamide
Smiles: O=C([C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1C)[N+](=O)[O-])Nc1ccccc1

STK555429
Synonyms: N~2~- (3,4- dimethylphenyl)- 6- (4- ethylpiperazin- 1- yl)- 5- nitropyrimidine- 2,4- diamine
Smiles: CCN1CCN(CC1)c1nc(Nc2ccc(c(c2)C)C)nc(c1[N+](=O)[O-])N

STK555430
Synonyms: 4- [3- (4- ethoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazin- 6- yl]benzene- 1,2- diol
Smiles: CCOc1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc(c(c1)O)O

STK555431
Synonyms: 1- (2- chlorobenzyl)- 2- imino- 3- (phenylsulfonyl)- 1,2- dihydro- 5H- dipyrido[1,2- a:2',3'- d]pyrimidin- 5- one
Smiles: Clc1ccccc1Cn1c2nc3ccccn3c(=O)c2cc(c1=N)S(=O)(=O)c1ccccc1

STK555433
Synonyms: 2- [(3- bromobenzyl)sulfanyl]- 3- (4- methoxyphenyl)- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: COc1ccc(cc1)n1c(SCc2cccc(c2)Br)nc2c(c1=O)c1CCCCc1s2

STK555434
Synonyms: 2- {[5- (3- nitrophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- [(2E,3E)- 4- phenylbut- 3- en- 2- ylidene]acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1cccc(c1)[N+](=O)[O-])N/N=C(/C=C/c1ccccc1)\C

STK555435
Synonyms: 2- [(2- chlorobenzyl)sulfanyl]- 3- (3- methylphenyl)- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: Cc1cccc(c1)n1c(SCc2ccccc2Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK555437
Synonyms: (6aR,6bS,9aR,10S)- 8- cyclohexyl- 10- (phenylcarbonyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: O=C1N(C2CCCCC2)C(=O)[C@@H]2[C@H]1[C@H]1C=Cc3c(N1[C@@H]2C(=O)c1ccccc1)cccc3

STK555438
Synonyms: 3- {[(E)- (4- hydroxy- 3- methoxyphenyl)methylidene]amino}- 7- methoxy- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)/N=C/c1ccc(c(c1)OC)O

STK555440
Synonyms: (6Z)- 6- {4- [(4- chlorobenzyl)oxy]- 3- ethoxybenzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(ccc1OCc1ccc(cc1)Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK555441
Synonyms: N- (3- chloro- 2- methylphenyl)- 2- {[3- (2- methylpropyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: O=C(Nc1cccc(c1C)Cl)CSc1nc2c3ccccc3CC3(c2c(=O)n1CC(C)C)CCCCC3

STK555442
Synonyms: (4aR,4bS,7aR,8S)- 6- benzyl- 8- [(4- fluorophenyl)carbonyl]- 7a,8- dihydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazine- 5,7(4bH,6H)- dione
Smiles: Fc1ccc(cc1)C(=O)[C@H]1N2N=CC=C[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)Cc1ccccc1

STK555444
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- {(E)- [4- (benzyloxy)phenyl]methylidene}- 5- [(4,5- dihydro- 1,3- thiazol- 2- ylsulfanyl)methyl]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: O=C(c1nnn(c1CSC1=NCCS1)c1nonc1N)N/N=C/c1ccc(cc1)OCc1ccccc1

STK555445
Synonyms: 5- (benzylsulfanyl)- 3- [(4- fluorobenzyl)sulfanyl]- 10,10- dimethyl- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: Fc1ccc(cc1)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CC(C)(C)OCc2s1

STK555446
Synonyms: (2E)- 1,3,3- trimethyl- 2- [(2E,4E,6E)- 7- phenylhepta- 2,4,6- trien- 1- ylidene]- 2,3- dihydro- 1H- indole
Smiles: CN1c2ccccc2C(/C/1=C\C=C\C=C\C=C\c1ccccc1)(C)C

STK555448
Synonyms: 5- (3- bromophenyl)- 9- chloro- 2- phenyl- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: Clc1ccc2c(c1)C1CC(=NN1C(O2)c1cccc(c1)Br)c1ccccc1

STK555450
Synonyms: (6Z)- 6- {3- ethoxy- 4- [(2- fluorobenzyl)oxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCOc1cc(ccc1OCc1ccccc1F)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK555451
Synonyms: N- [(1E)- 3- (diethylamino)- 1- (1- methyl- 1H- indol- 3- yl)- 3- oxoprop- 1- en- 2- yl]- 4- methoxybenzamide
Smiles: CCN(C(=O)/C(=C\c1cn(c2c1cccc2)C)/NC(=O)c1ccc(cc1)OC)CC

STK555453
Synonyms: 3- {[(E)- (3- ethoxy- 4- hydroxyphenyl)methylidene]amino}- 8- methoxy- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: CCOc1cc(ccc1O)/C=N/n1cnc2c(c1=O)[nH]c1c2cc(cc1)OC

STK555455
Synonyms: 2,2- dimethyl- N- (3- methylbutyl)- 5- phenyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- amine
Smiles: CC(CCNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccccc1)C

STK555456
Synonyms: 4- (5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclopentan]- 2- yl)phenol
Smiles: Oc1ccc(cc1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2

STK555457
Synonyms: N~2~- (butan- 2- yl)- N~4~- (2- fluorophenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CCC(Nc1nc(Nc2ccccc2F)c(c(n1)N)[N+](=O)[O-])C

STK555458
Synonyms: 3- (4- tert- butylphenyl)- 5- [(4- methoxybenzyl)sulfanyl]- 4- (4- methoxyphenyl)- 4H- 1,2,4- triazole
Smiles: COc1ccc(cc1)n1c(SCc2ccc(cc2)OC)nnc1c1ccc(cc1)C(C)(C)C

STK555460
Synonyms: (6Z)- 5- imino- 6- {3- methoxy- 4- [2- (2- methoxyphenoxy)ethoxy]benzylidene}- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCCOc1ccccc1OC)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK555461
Synonyms: (6E)- 6- {[1- (4- ethylphenyl)- 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: CCc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCOCC1

STK555462
Synonyms: N- (4- ethoxyphenyl)- 2- (4- ethylpiperazin- 1- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CCOc1ccc(cc1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCN(CC1)CC

STK555463
Synonyms: 6- (4- methylpiperazin- 1- yl)- 5- nitro- 2- (pyrrolidin- 1- yl)pyrimidin- 4- amine
Smiles: CN1CCN(CC1)c1nc(nc(c1[N+](=O)[O-])N)N1CCCC1

STK555464
Synonyms: 2- methyl- 7- {[3- (piperazin- 1- yl)propyl]amino}- 8H- naphtho[2,3- a]phenoxazine- 8,13(14H)- dione
Smiles: Cc1ccc2c(c1)[nH]c1c(o2)cc(c2c1c(=O)c1c(c2=O)cccc1)NCCCN1CCNCC1

STK555465
Synonyms: 6- (azepan- 1- yl)- N~2~- methyl- 5- nitro- N~2~- phenylpyrimidine- 2,4- diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCCC1)N(c1ccccc1)C

STK555466
Synonyms: 1- amino- N- (3- chlorophenyl)- 8,8- dimethyl- 5- (morpholin- 4- yl)- 8,9- dihydro- 6H- pyrano[4,3- d]thieno[2,3- b]pyridine- 2- carboxamide
Smiles: Clc1cccc(c1)NC(=O)c1sc2c(c1N)c1CC(C)(C)OCc1c(n2)N1CCOCC1

STK555468
Synonyms: 2- {4- [(E)- (2- {[(4- methyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetyl}hydrazinylidene)methyl]phenoxy}acetamide
Smiles: O=C(N/N=C/c1ccc(cc1)OCC(=O)N)CSc1nncn1C

STK555469
Synonyms: (6Z)- 3- (benzylsulfanyl)- 6- ({1- [2- (4- chlorophenoxy)ethyl]- 1H- pyrrol- 2- yl}methylidene)- 5- imino- 5,6- dihydro- 7H- [1,2,4]thiadiazolo[4,5- a]pyrimidin- 7- one
Smiles: Clc1ccc(cc1)OCCn1cccc1/C=C/1\C(=O)N=c2n(C1=N)c(SCc1ccccc1)ns2

STK555470
Synonyms: 7- (2- fluorophenyl)- 5- (4- methoxyphenyl)- 4,7- dihydro[1,2,4]triazolo[1,5- a]pyrimidine
Smiles: COc1ccc(cc1)C1=CC(n2c(N1)ncn2)c1ccccc1F

STK555471
Synonyms: N'- [(E)- (5- chloro- 3- methyl- 1- phenyl- 1H- pyrazol- 4- yl)methylidene]- 2- {[4- methyl- 5- (3- nitrophenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)[N+](=O)[O-])N/N=C/c1c(C)nn(c1Cl)c1ccccc1

STK555472
Synonyms: N- (3- fluorophenyl)- 2- (4- methylpiperidin- 1- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CC1CCN(CC1)c1nc(Nc2cccc(c2)F)c(c(n1)N)[N+](=O)[O-]

STK555473
Synonyms: (6Z)- 6- {3- chloro- 4- [2- (4- ethylphenoxy)ethoxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: CCc1ccc(cc1)OCCOc1ccc(cc1Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK555475
Synonyms: N'- [(E)- (2- fluorophenyl)methylidene]- 2- {[5- (3- nitrophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetohydrazide
Smiles: O=C(CSc1nnc(n1c1ccccc1)c1cccc(c1)[N+](=O)[O-])N/N=C/c1ccccc1F

STK555477
Synonyms: 2- [(E)- (hydroxyimino)methyl]- 1H- imidazol- 1- ol3- oxide
Smiles: O/N=C/c1n(O)cc[n+]1[O-]

STK555478
Synonyms: 2- {[10,10- dimethyl- 5- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}- N- (2- phenylethyl)acetamide
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCC(=O)NCCc1ccccc1)nn2)CC(OC3)(C)C

STK555479
Synonyms: (1'S,2'S,3R,3a'R)- 1'- (2,2- dimethylpropanoyl)- 7'- methoxy- 2'- (phenylcarbonyl)- 1',2'- dihydro- 3a'H- spiro[indole- 3,3'- pyrrolo[1,2- a]quinolin]- 2(1H)- one
Smiles: COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@H]([C@@]21C(=O)Nc1c2cccc1)C(=O)c1ccccc1

STK555480
Synonyms: 5- (3,4- dichlorophenyl)- 3- (2,5- dimethoxyphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1ccc(c(c1)C1C2C(=O)N(C(=O)C2ON1c1ccccc1)c1ccc(c(c1)Cl)Cl)OC

STK555483
Synonyms: 1- [(3,4- dimethoxybenzyl)oxy]- 3- (4- fluorophenyl)quinoxalin- 2(1H)- one4- oxide
Smiles: COc1cc(ccc1OC)COn1c2ccccc2[n+](c(c1=O)c1ccc(cc1)F)[O-]

STK555484
Synonyms: N- [1- (4- chlorophenyl)- 2,5- dioxopyrrolidin- 3- yl]- N- hydroxyheptanamide
Smiles: CCCCCCC(=O)N(C1CC(=O)N(C1=O)c1ccc(cc1)Cl)O

STK555486
Synonyms: (5Z)- 5- (2- chlorobenzylidene)- 2- [4- (4- nitrophenyl)piperazin- 1- yl]- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C\c1ccccc1Cl)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]

STK555487
Synonyms: N- (4- chlorophenyl)- 2- {[4- oxo- 3- (prop- 2- en- 1- yl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccc(cc2)Cl)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1

STK555488
Synonyms: 2- amino- 1- (3,4- dimethoxybenzyl)- N- (prop- 2- en- 1- yl)- 1H- pyrrolo[2,3- b]quinoxaline- 3- carboxamide
Smiles: C=CCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1ccc(c(c1)OC)OC

STK555489
Synonyms: (6Z)- 6- {3- chloro- 4- [2- (3,5- dimethylphenoxy)ethoxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1cc(OCCOc2ccc(cc2Cl)/C=C/2\C(=O)N=c3n(C2=N)nc(s3)c2cccnc2)cc(c1)C

STK555492
Synonyms: 6- (2,6- dimethoxyphenyl)- 3- (2- methylphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: COc1cccc(c1c1sc2n(n1)c(nn2)c1ccccc1C)OC

STK555493
Synonyms: N~2~- (butan- 2- yl)- N~4~- (3- fluorophenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CCC(Nc1nc(Nc2cccc(c2)F)c(c(n1)N)[N+](=O)[O-])C

STK555494
Synonyms: 2,2- dimethyl- 5- (2- methylpropyl)- 8- (propylsulfanyl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CCCSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)CC(C)C

STK555495
Synonyms: N- [4- (diethylamino)phenyl]- 2- {[3- (4- methylphenyl)- 4- oxo- 3,4- dihydroquinazolin- 2- yl]sulfanyl}acetamide
Smiles: CCN(c1ccc(cc1)NC(=O)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)C)CC

STK555496
Synonyms: 5- methyl- 2- (propan- 2- yl)cyclohexyl[(4- chlorophenyl)(hydroxy)methyl][4- (dimethylamino)phenyl]phosphinate
Smiles: CC1CCC(C(C1)OP(=O)(C(c1ccc(cc1)Cl)O)c1ccc(cc1)N(C)C)C(C)C

STK555499
Synonyms: 3,6- bis(3- chlorophenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Clc1cccc(c1)c1nn2c(s1)nnc2c1cccc(c1)Cl

STK555500
Synonyms: 3- (4- ethoxyphenyl)- 6- (thiophen- 2- yl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)c1cccs1

STK555501
Synonyms: (6Z)- 6- {4- [(2- chlorobenzyl)oxy]- 3- methoxybenzylidene}- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCc1ccccc1Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK555502
Synonyms: 1- [(2,2- dimethyl- 5- phenyl- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl)amino]propan- 2- ol
Smiles: CC(CNc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccccc1)O

STK555503
Synonyms: 6- tert- butyl- 3- phenyl- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CC(C1=Nn2c(SC1)nnc2c1ccccc1)(C)C

STK555504
Synonyms: 3- {[(E)- (4- hydroxy- 3,5- dimethoxyphenyl)methylidene]amino}- 8- methoxy- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc2c(c1)c1ncn(c(=O)c1[nH]2)/N=C/c1cc(OC)c(c(c1)OC)O

STK555505
Synonyms: 3- (4- chlorophenyl)- 7- methyl- 2- sulfanyl- 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)S)c1ccc(cc1)Cl

STK555506
Synonyms: 3- (2- chloro- 4- nitrophenyl)- 6- iodo- 2- [(E)- 2- (5- nitrofuran- 2- yl)ethenyl]quinazolin- 4(3H)- one
Smiles: Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccc(o1)[N+](=O)[O-])c1ccc(cc1Cl)[N+](=O)[O-]

STK555507
Synonyms: 6- (2,6- dimethoxyphenyl)- 3- (4- ethoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)c1c(OC)cccc1OC

STK555509
Synonyms: (2'R,3'R)- 3'- [(4- methoxyphenyl)carbonyl]- 2,2- dimethyl- 2'- phenyl- 2',3'- dihydro- 10b'H- spiro[1,3- dioxane- 5,1'- pyrrolo[2,1- a]phthalazine]- 4,6- dione
Smiles: COc1ccc(cc1)C(=O)[C@@H]1N2N=Cc3c(C2C2([C@H]1c1ccccc1)C(=O)OC(OC2=O)(C)C)cccc3

STK555510
Synonyms: (6E)- 5- imino- 6- {[1- (2- phenoxyethyl)- 1H- indol- 3- yl]methylidene}- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C\c1cn(c2c1cccc2)CCOc1ccccc1)c1cccnc1

STK555512
Synonyms: ethyl[(3- methoxy- 4- oxo- 3,4- dihydroquinazolin- 2- yl)sulfanyl]acetate
Smiles: CCOC(=O)CSc1nc2ccccc2c(=O)n1OC

STK555513
Synonyms: N~4~- (3- fluorophenyl)- N~2~- (3- methoxyphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: COc1cccc(c1)Nc1nc(Nc2cccc(c2)F)c(c(n1)N)[N+](=O)[O-]

STK555514
Synonyms: 4- (4- chlorophenyl)- 1- [(2,4- dichlorobenzyl)sulfanyl]- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Clc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCc1ccc(cc1Cl)Cl

STK555515
Synonyms: 4- [({[3- (4- methoxyphenyl)- 4- oxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetyl)amino]benzoicacid
Smiles: COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C(=O)O)nc2c(c1=O)c1CCCCc1s2

STK555516
Synonyms: 2- (4- chlorophenyl)- 3- {2- [2- (2- ethoxyphenoxy)ethoxy]ethyl}quinazolin- 4(3H)- one
Smiles: CCOc1ccccc1OCCOCCn1c(nc2c(c1=O)cccc2)c1ccc(cc1)Cl

STK555517
Synonyms: (3aR,6aS)- 5- (2- methoxy- 5- nitrophenyl)- 3- (3- nitrophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: COc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)ON=C2c1cccc(c1)[N+](=O)[O-])[N+](=O)[O-]

STK555520
Synonyms: N- (2- chlorophenyl)- 2- {[4- oxo- 3- (prop- 2- en- 1- yl)- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl]sulfanyl}acetamide
Smiles: C=CCn1c(SCC(=O)Nc2ccccc2Cl)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK555521
Synonyms: methyl(3Z)- 3- [2- ({1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(4,5- dihydro- 1,3- thiazol- 2- ylsulfanyl)methyl]- 1H- 1,2,3- triazol- 4- yl}carbonyl)hydrazinylidene]- 2- oxo- 2,3- dihydro- 1H- indole- 1- carboxylate
Smiles: COC(=O)N1C(=O)/C(=N\NC(=O)c2nnn(c2CSC2=NCCS2)c2nonc2N)/c2c1cccc2

STK555522
Synonyms: 1- (1- benzyl- 5- methoxy- 2- methyl- 1H- indol- 3- yl)- 2- (4- phenylpiperazin- 1- yl)ethanol
Smiles: COc1ccc2c(c1)c(C(CN1CCN(CC1)c1ccccc1)O)c(n2Cc1ccccc1)C

STK555524
Synonyms: 9- chloro- 2- (furan- 2- yl)- 5- phenyl- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazine
Smiles: Clc1ccc2c(c1)C1CC(=NN1C(O2)c1ccccc1)c1ccco1

STK555525
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- N'- [(E)- (4- methoxy- 3- {[(5- methyl- 1,3,4- thiadiazol- 2- yl)sulfanyl]methyl}phenyl)methylidene]- 5- (morpholin- 4- ylmethyl)- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: COc1ccc(cc1CSc1nnc(s1)C)/C=N/NC(=O)c1nnn(c1CN1CCOCC1)c1nonc1N

STK555526
Synonyms: 2- (4- ethylphenyl)- 5,6- diphenyl- 1H- imidazo[1,2- a]imidazole
Smiles: CCc1ccc(cc1)c1cn2c([nH]1)nc(c2c1ccccc1)c1ccccc1

STK555527
Synonyms: (2Z)- 6- (2- chlorobenzyl)- 2- (3- methoxy- 4- propoxybenzylidene)- 7H- [1,3]thiazolo[3,2- b][1,2,4]triazine- 3,7(2H)- dione
Smiles: CCCOc1ccc(cc1OC)/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1Cl

STK555528
Synonyms: (5Z)- 5- (2- chlorobenzylidene)- 2- [4- (naphthalen- 1- yl)piperazin- 1- yl]- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C\c1ccccc1Cl)N1CCN(CC1)c1cccc2c1cccc2

STK555529
Synonyms: (2Z)- 2- [5- (2- chlorobenzyl)- 3- (2- methylphenyl)- 4- oxo- 1,3- thiazolidin- 2- ylidene]- 2- cyano- N- (4- methylphenyl)ethanamide
Smiles: N#C/C(=C\1/SC(C(=O)N1c1ccccc1C)Cc1ccccc1Cl)/C(=O)Nc1ccc(cc1)C

STK555530
Synonyms: ethyl4- [(1,4- dioxa- 8- azaspiro[4.5]dec- 8- ylacetyl)amino]- 5- methoxy- 1,2- dimethyl- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1c(NC(=O)CN1CCC3(CC1)OCCO3)c(OC)cc2)C

STK555531
Synonyms: 4- ({(1'S,2'S,3R,3a'R)- 2'- [(2- chlorophenyl)carbonyl]- 2- oxo- 1,1',2,2'- tetrahydro- 3a'H- spiro[indole- 3,3'- pyrrolo[1,2- a]quinolin]- 1'- yl}carbonyl)phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@H]1N2c3ccccc3C=C[C@@H]2[C@]2([C@@H]1C(=O)c1ccccc1Cl)C(=O)Nc1c2cccc1

STK555532
Synonyms: ethyl5- chloro- 3- ({[1- (4- methylphenyl)cyclopropyl]carbonyl}amino)- 1H- indole- 2- carboxylate
Smiles: CCOC(=O)c1[nH]c2c(c1NC(=O)C1(CC1)c1ccc(cc1)C)cc(cc2)Cl

STK555535
Synonyms: N,N- diethyl- 2,2- dimethyl- 10- (methylsulfanyl)- 5- (propan- 2- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- amine
Smiles: CSc1nc(N(CC)CC)c2c(n1)c1c(s2)nc(c2c1CC(C)(C)OC2)C(C)C

STK555536
Synonyms: 2- [(8,8- dimethyl- 4- oxo- 3- phenyl- 3,6,8,9- tetrahydro- 4H- pyrano[3',4':5,6]pyrido[2,3- d]pyrimidin- 2- yl)sulfanyl]- N- (4- ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSc1nc2nc3CC(C)(C)OCc3cc2c(=O)n1c1ccccc1

STK555537
Synonyms: (6E)- 5- imino- 6- {[1- (2- methylbenzyl)- 1H- indol- 3- yl]methylidene}- 2- [2- (morpholin- 4- yl)- 2- oxoethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C(N1CCOCC1)Cc1nn2c(=NC(=O)/C(=C/c3cn(c4c3cccc4)Cc3ccccc3C)/C2=N)s1

STK555539
Synonyms: N~4~- (4- ethoxyphenyl)- N~2~- (4- methylbenzyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CCOc1ccc(cc1)Nc1nc(NCc2ccc(cc2)C)nc(c1[N+](=O)[O-])N

STK555540
Synonyms: 2- (morpholin- 4- yl)- 5- nitro- 6- (piperidin- 1- yl)pyrimidin- 4- amine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCC1)N1CCOCC1

STK555542
Synonyms: 3- [(2- chlorobenzyl)sulfanyl]- 10- ethyl- 10- methyl- 5- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCc1ccccc1Cl)nn2)CC(OC3)(C)CC

STK555543
Synonyms: 3- [(2- chlorobenzyl)sulfanyl]- 10,10- dimethyl- 5- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCc1ccccc1Cl)nn2)CC(OC3)(C)C

STK555544
Synonyms: 2- (4- ethylpiperazin- 1- yl)- N- (2- fluorophenyl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CCN1CCN(CC1)c1nc(Nc2ccccc2F)c(c(n1)N)[N+](=O)[O-]

STK555545
Synonyms: 3- (2- chlorophenyl)- 2- phenyl- 5- (4- propoxyphenyl)dihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccccc1Cl

STK555546
Synonyms: 2- (4- chlorophenyl)- 3- [2- (4- fluorophenoxy)ethyl]quinazolin- 4(3H)- one
Smiles: Fc1ccc(cc1)OCCn1c(nc2c(c1=O)cccc2)c1ccc(cc1)Cl

STK555547
Synonyms: (5Z)- 5- {[5- (2,4- dichlorophenyl)furan- 2- yl]methylidene}- 2- (4- phenylpiperazin- 1- yl)- 1,3- thiazol- 4(5H)- one
Smiles: Clc1ccc(c(c1)Cl)c1ccc(o1)/C=C/1\SC(=NC1=O)N1CCN(CC1)c1ccccc1

STK555548
Synonyms: 2- {[6- ethyl- 6- methyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}- N- (2- phenylethyl)acetamide
Smiles: CCCSc1nc(SCC(=O)NCCc2ccccc2)c2c(n1)sc1c2CC(OC1)(C)CC

STK555550
Synonyms: (8S,8aR,11aS,11bS)- 10- (2- methoxyphenyl)- 8- (phenylcarbonyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: COc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccccc2)C=Cc2c1cccc2

STK555552
Synonyms: 3- [(2- fluorobenzyl)sulfanyl]- 10,10- dimethyl- 5- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SCc1ccccc1F)nn2)CC(OC3)(C)C

STK555553
Synonyms: N- (4- methylphenyl)- 1,3,4,5- tetrahydro- 2H- pyrido[4,3- b]indole- 2- carbothioamide
Smiles: Cc1ccc(cc1)NC(=S)N1CCc2c(C1)c1ccccc1[nH]2

STK555554
Synonyms: 7- chloro- 9- (methylsulfanyl)- 4- phenyl- 2,3- dihydro- 1H- cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CSc1nc(Cl)c2c(n1)c1c(s2)nc(c2c1CCC2)c1ccccc1

STK555556
Synonyms: 3- (4- chlorophenyl)- 2- [(4- methoxybenzyl)sulfanyl]- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: COc1ccc(cc1)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCCC3

STK555557
Synonyms: 1- (4- amino- 1,2,5- oxadiazol- 3- yl)- 5- [(dimethylamino)methyl]- N'- [(E)- (2,4,6- trimethylphenyl)methylidene]- 1H- 1,2,3- triazole- 4- carbohydrazide
Smiles: CN(Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1c(C)cc(cc1C)C)C

STK555559
Synonyms: (2Z)- 2- cyano- N- (4- methylphenyl)- 2- {(5E)- 3- (2- methylphenyl)- 4- oxo- 5- [4- (prop- 2- en- 1- yloxy)benzylidene]- 1,3- thiazolidin- 2- ylidene}ethanamide
Smiles: C=CCOc1ccc(cc1)/C=c\1/s/c(=C(\C(=O)Nc2ccc(cc2)C)/C#N)/n(c1=O)c1ccccc1C

STK555560
Synonyms: 3- (2- methoxyphenyl)- 5- (4- methylphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1ccccc1C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)C)c1ccccc1

STK555561
Synonyms: 3- butyl- 5- (2- methylphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCCCC1N(OC2C1C(=O)N(C2=O)c1ccccc1C)c1ccccc1

STK555562
Synonyms: 3- (2,4- dichlorophenyl)- 6- (3,4- dimethoxyphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2c1ccc(cc1Cl)Cl

STK555564
Synonyms: 4- (4- chlorophenyl)- 7- methyl- 1- [(2- oxo- 2- phenylethyl)sulfanyl]- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CC1CCc2c(C1)c1c(s2)n2c(SCC(=O)c3ccccc3)nnc2n(c1=O)c1ccc(cc1)Cl

STK555566
Synonyms: 5- (4- chlorophenyl)- 7- (4- nitrophenyl)- 4,7- dihydrotetrazolo[1,5- a]pyrimidine
Smiles: Clc1ccc(cc1)C1=CC(n2c(N1)nnn2)c1ccc(cc1)[N+](=O)[O-]

STK555567
Synonyms: 5- (2- methylphenyl)- 3- (4- nitrophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: O=C1C2C(C(=O)N1c1ccccc1C)ON(C2c1ccc(cc1)[N+](=O)[O-])c1ccccc1

STK555568
Synonyms: 3- (3- chlorophenyl)- 2- [(2,4- dichlorobenzyl)sulfanyl]- 6,6- dimethyl- 3,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- one
Smiles: Clc1cccc(c1)n1c(SCc2ccc(cc2Cl)Cl)nc2c(c1=O)c1CC(C)(C)OCc1s2

STK555569
Synonyms: 3- (3- ethoxyphenyl)- 6- (phenoxymethyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1cccc(c1)c1nnc2n1nc(s2)COc1ccccc1

STK555571
Synonyms: 4- benzyl- 1- (benzylsulfanyl)- 6- ethyl- 6- methyl- 6,7- dihydrobenzo[h][1,2,4]triazolo[4,3- a]quinazolin- 5(4H)- one
Smiles: CCC1(C)Cc2ccccc2c2c1c(=O)n(c1n2c(SCc2ccccc2)nn1)Cc1ccccc1

STK555573
Synonyms: (6Z)- 6- [3- chloro- 4- (2- phenoxyethoxy)benzylidene]- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(c(c1)Cl)OCCOc1ccccc1)c1cccnc1

STK555575
Synonyms: 7- [2- hydroxy- 3- (4- methoxyphenoxy)propyl]- 1,3- dimethyl- 8- (4- phenylpiperazin- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: COc1ccc(cc1)OCC(Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCN(CC1)c1ccccc1)O

STK555577
Synonyms: 3- (4- chloro- 2- oxo- 3- phenyl- 2,3- dihydro- 1,3- thiazol- 5- yl)- 5- (4- methylphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Cc1ccc(cc1)N1C(=O)C2C(C1=O)ON(C2c1sc(=O)n(c1Cl)c1ccccc1)c1ccccc1

STK555578
Synonyms: (6Z)- 6- {4- [3- (4- chlorophenoxy)propoxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Clc1ccc(cc1)OCCCOc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK555579
Synonyms: N- [4- (butan- 2- yl)phenyl]- 2- {[4- (4- methylphenyl)- 5- (pyridin- 4- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: CCC(c1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccncc1)C

STK555580
Synonyms: 2- (8,8- dimethyl- 4- oxo- 7,10- dihydro- 8H- pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 3(4H)- yl)- N- (4- methylphenyl)propanamide
Smiles: O=C(C(n1cnc2c(c1=O)sc1c2cc2c(n1)CC(OC2)(C)C)C)Nc1ccc(cc1)C

STK555581
Synonyms: N'- [(3Z)- 1- (azepan- 1- ylmethyl)- 5- bromo- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene]- 2- (2- methoxyphenoxy)acetohydrazide
Smiles: COc1ccccc1OCC(=O)N/N=C\1/c2cc(Br)ccc2N(C1=O)CN1CCCCCC1

STK555583
Synonyms: 3- (pyrrolidin- 1- yl)propyl1- phenylcyclopentanecarboxylate
Smiles: O=C(C1(CCCC1)c1ccccc1)OCCCN1CCCC1

STK555586
Synonyms: N- benzyl- 2- (4- ethylpiperazin- 1- yl)- 5- nitropyrimidine- 4,6- diamine
Smiles: CCN1CCN(CC1)c1nc(NCc2ccccc2)c(c(n1)N)[N+](=O)[O-]

STK555587
Synonyms: 4- {[(4aS,4bR,7aS,8R)- 6- (2- chlorophenyl)- 5,7- dioxo- 4b,5,6,7,7a,8- hexahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazin- 8- yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2N=CC=C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccccc1Cl

STK555588
Synonyms: N,N- diethyl- 4- [3- (3- methylphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazol- 6- yl]aniline
Smiles: CCN(c1ccc(cc1)c1nn2c(s1)nnc2c1cccc(c1)C)CC

STK555589
Synonyms: 4- (3- chlorophenyl)- 1- sulfanyl- 7,8- dihydro- 6H- cyclopenta[4,5]thieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: Clc1cccc(c1)n1c(=O)c2c3CCCc3sc2n2c1nnc2S

STK555590
Synonyms: 4- [(2- chlorobenzyl)sulfanyl]- 2,8,8- trimethyl- 7,10- dihydro- 8H- pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: Cc1nc(SCc2ccccc2Cl)c2c(n1)c1cc3COC(Cc3nc1s2)(C)C

STK555591
Synonyms: (6Z)- 6- {4- [2- (4- chloro- 3- methylphenoxy)ethoxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(cc1)OCCOc1ccc(c(c1)C)Cl)c1cccnc1

STK555592
Synonyms: 2- (benzylsulfanyl)- 6,6- dimethyl- 4- [(2- methylprop- 2- en- 1- yl)sulfanyl]- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidine
Smiles: CC(=C)CSc1nc(SCc2ccccc2)nc2c1c1CC(C)(C)OCc1s2

STK555593
Synonyms: 4- {[(8R,8aR,11aS,11bS)- 10- (4- chlorophenyl)- 9,11- dioxo- 8a,9,10,11,11a,11b- hexahydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinolin- 8- yl]carbonyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)C(=O)[C@@H]1N2C=Cc3c([C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)Cl)cccc3

STK555594
Synonyms: (6Z)- 6- {4- [(2- chlorobenzyl)oxy]- 3- methoxybenzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCc1ccccc1Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK555595
Synonyms: 1- [(2S)- 1- hydrazinyl- 1- oxo- 3- phenylpropan- 2- yl]- 3- (2- phenylethyl)urea(non- preferredname)
Smiles: NNC(=O)[C@H](Cc1ccccc1)NC(=O)NCCc1ccccc1

STK555596
Synonyms: (6Z)- 6- {3- bromo- 4- [(2- fluorobenzyl)oxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C/c1ccc(c(c1)Br)OCc1ccccc1F)c1cccnc1

STK555597
Synonyms: (5Z)- 2- (4- benzylpiperazin- 1- yl)- 5- {[3- (3- ethoxyphenyl)- 1- phenyl- 1H- pyrazol- 4- yl]methylidene}- 1,3- thiazol- 4(5H)- one
Smiles: CCOc1cccc(c1)c1nn(cc1/C=C/1\SC(=NC1=O)N1CCN(CC1)Cc1ccccc1)c1ccccc1

STK555598
Synonyms: 2- {[3- (3- chlorophenyl)- 4- oxo- 3,4,6,7,8,9- hexahydropyrimido[4,5- b]quinolin- 2- yl]sulfanyl}- N- (2- methylphenyl)acetamide
Smiles: O=C(Nc1ccccc1C)CSc1nc2nc3CCCCc3cc2c(=O)n1c1cccc(c1)Cl

STK555599
Synonyms: 2- ({4- amino- 6- [(3- chlorophenyl)amino]- 5- nitropyrimidin- 2- yl}amino)ethanol
Smiles: OCCNc1nc(Nc2cccc(c2)Cl)c(c(n1)N)[N+](=O)[O-]

STK555600
Synonyms: (8S,8aR,11aS,11bS)- 10- (2- fluorophenyl)- 8- (phenylcarbonyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: O=C([C@H]1N2C=Cc3c([C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1F)cccc3)c1ccccc1

STK555601
Synonyms: 4- (4- chlorophenyl)- 7- methyl- 1- [(4- nitrobenzyl)sulfanyl]- 6,7,8,9- tetrahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 5(4H)- one
Smiles: CC1CCc2c(C1)c1c(s2)n2c(SCc3ccc(cc3)[N+](=O)[O-])nnc2n(c1=O)c1ccc(cc1)Cl

STK555602
Synonyms: (2'S,3'R)- 3'- acetyl- 2'- (2- chlorophenyl)- 2,2- dimethyl- 2',3'- dihydro- 10b'H- spiro[1,3- dioxane- 5,1'- pyrrolo[2,1- a]phthalazine]- 4,6- dione
Smiles: CC(=O)[C@@H]1N2N=Cc3c(C2C2([C@H]1c1ccccc1Cl)C(=O)OC(OC2=O)(C)C)cccc3

STK555603
Synonyms: N~2~- (2,5- dimethoxyphenyl)- 5- nitro- 6- (piperidin- 1- yl)pyrimidine- 2,4- diamine
Smiles: COc1ccc(c(c1)Nc1nc(N)c(c(n1)N1CCCCC1)[N+](=O)[O-])OC

STK555605
Synonyms: 3- [2- (4- fluorophenyl)ethyl]- 7- methoxy- 3,5- dihydro- 4H- pyrimido[5,4- b]indol- 4- one
Smiles: COc1ccc2c(c1)[nH]c1c2ncn(c1=O)CCc1ccc(cc1)F

STK555606
Synonyms: 2- {[10- ethyl- 10- methyl- 5- (methylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidin- 3- yl]sulfanyl}- N- (1- phenylpropan- 2- yl)acetamide
Smiles: CCC1(C)OCc2c(C1)c1c(s2)nc(n2c1nnc2SCC(=O)NC(Cc1ccccc1)C)SC

STK555607
Synonyms: N'- {(E)- [4- (2,4- dinitrophenoxy)- 3- methoxyphenyl]methylidene}- 2- [(4- methyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetohydrazide
Smiles: COc1cc(/C=N/NC(=O)CSc2nncn2C)ccc1Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

STK555608
Synonyms: 6- tert- butyl- 3- (4- chlorophenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CC(C1=Nn2c(SC1)nnc2c1ccc(cc1)Cl)(C)C

STK555609
Synonyms: 3- (4- ethoxyphenyl)- 6- (3,4,5- trimethoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)c1cc(OC)c(c(c1)OC)OC

STK555610
Synonyms: (5Z)- 5- {[5- (3,4- dichlorophenyl)furan- 2- yl]methylidene}- 2- (4- phenylpiperazin- 1- yl)- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C\c1ccc(o1)c1ccc(c(c1)Cl)Cl)N1CCN(CC1)c1ccccc1

STK555611
Synonyms: 3- (4- tert- butylphenyl)- 6- phenyl- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: CC(c1ccc(cc1)c1nnc2n1N=C(CS2)c1ccccc1)(C)C

STK555613
Synonyms: (6aS,6bR,9aS,10R)- 3- chloro- 5- methyl- 8- (naphthalen- 2- yl)- 10- (phenylcarbonyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: Clc1ccc2c(c1)C(=C[C@@H]1N2[C@@H](C(=O)c2ccccc2)[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)cccc2)C

STK555614
Synonyms: (6E)- 6- {[2,5- dimethyl- 1- (4- methylphenyl)- 1H- pyrrol- 3- yl]methylidene}- 5- imino- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK555615
Synonyms: 6- (3- bromophenyl)- 3- (4- methylphenyl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: Cc1ccc(cc1)c1nnc2n1N=C(CS2)c1cccc(c1)Br

STK555618
Synonyms: (5Z)- 2- [4- (3- chloro- 4- methylphenyl)piperazin- 1- yl]- 5- {[5- (3,4- dichlorophenyl)furan- 2- yl]methylidene}- 1,3- thiazol- 4(5H)- one
Smiles: O=C1N=C(S/C/1=C\c1ccc(o1)c1ccc(c(c1)Cl)Cl)N1CCN(CC1)c1ccc(c(c1)Cl)C

STK555619
Synonyms: N'- [(1E)- 1- (2,4- dimethoxyphenyl)ethylidene]- 2- {[5- (3- nitrophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetohydrazide
Smiles: COc1ccc(c(c1)OC)/C(=N/NC(=O)CSc1nnc(n1c1ccccc1)c1cccc(c1)[N+](=O)[O-])/C

STK555621
Synonyms: (8S,8aR,11aS,11bS)- 10- (2,4- dimethylphenyl)- 8- (phenylcarbonyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: Cc1ccc(c(c1)C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccccc2)C=Cc2c1cccc2

STK555623
Synonyms: N- benzyl- 2- {[4- (4- chlorophenyl)- 7- methyl- 5- oxo- 4,5,6,7,8,9- hexahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl]sulfanyl}acetamide
Smiles: CC1CCc2c(C1)c1c(s2)n2c(SCC(=O)NCc3ccccc3)nnc2n(c1=O)c1ccc(cc1)Cl

STK555624
Synonyms: 2- {[3- (4- methylphenyl)- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl]sulfanyl}- N- [2- (trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1ccccc1C(F)(F)F)CSc1nc2c3ccccc3CC3(c2c(=O)n1c1ccc(cc1)C)CCCCC3

STK555626
Synonyms: (8S,8aR,11aS,11bS)- 10- (naphthalen- 1- yl)- 8- (phenylcarbonyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]isoquinoline- 9,11(8aH,10H)- dione
Smiles: O=C([C@@H]1[C@H]2[C@@H]([C@@H]3N1C=Cc1c3cccc1)C(=O)N(C2=O)c1cccc2c1cccc2)c1ccccc1

STK555627
Synonyms: (6Z)- 6- {3- chloro- 4- [(4- methylbenzyl)oxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: Cc1ccc(cc1)COc1ccc(cc1Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK555628
Synonyms: ethyl(2Z)- 2- {[(2- fluorophenyl)carbonyl]imino}- 1- (3- methoxypropyl)- 10- methyl- 5- oxo- 1,5- dihydro- 2H- dipyrido[1,2- a:2',3'- d]pyrimidine- 3- carboxylate
Smiles: COCCCn1/c(=N\C(=O)c2ccccc2F)/c(cc2c1nc1c(C)cccn1c2=O)C(=O)OCC

STK555629
Synonyms: N~2~- (4- methylbenzyl)- 5- nitro- 6- (pyrrolidin- 1- yl)pyrimidine- 2,4- diamine
Smiles: Cc1ccc(cc1)CNc1nc(N)c(c(n1)N1CCCC1)[N+](=O)[O-]

STK555630
Synonyms: 2- [(2- chlorophenoxy)methyl]- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclopentane]
Smiles: Clc1ccccc1OCc1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2

STK555631
Synonyms: (6Z)- 6- {3- chloro- 4- [2- (2- methoxyphenoxy)ethoxy]benzylidene}- 5- imino- 2- (pyridin- 3- yl)- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1ccccc1OCCOc1ccc(cc1Cl)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1

STK555632
Synonyms: 2- {[4- (4- chlorophenyl)- 7- methyl- 5- oxo- 4,5,6,7,8,9- hexahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl]sulfanyl}- N- (3- methylphenyl)acetamide
Smiles: CC1CCc2c(C1)c1c(s2)n2c(SCC(=O)Nc3cccc(c3)C)nnc2n(c1=O)c1ccc(cc1)Cl

STK555633
Synonyms: (3S,3'S,3a'S,6a'R)- 5'- (3- bromophenyl)- 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: Brc1cccc(c1)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N[C@H]2C(C)C)C(=O)Nc2c1cccc2

STK555635
Synonyms: methyl4,6- dimethyl- 3- [(phenylcarbonyl)amino]thieno[2,3- b]pyridine- 2- carboxylate
Smiles: COC(=O)c1sc2c(c1NC(=O)c1ccccc1)c(C)cc(n2)C

STK555636
Synonyms: N- (4- chlorophenyl)- 2- (2,8,8- trimethyl- 4- oxo- 7,10- dihydro- 8H- pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 3(4H)- yl)acetamide
Smiles: O=C(Cn1c(C)nc2c(c1=O)sc1c2cc2c(n1)CC(OC2)(C)C)Nc1ccc(cc1)Cl

STK555637
Synonyms: 2- (4- methylpiperazin- 1- yl)- 5- nitro- N- (tetrahydrofuran- 2- ylmethyl)pyrimidine- 4,6- diamine
Smiles: CN1CCN(CC1)c1nc(NCC2CCCO2)c(c(n1)N)[N+](=O)[O-]

STK555638
Synonyms: 12- (prop- 2- en- 1- yl)- 9- (prop- 2- en- 1- ylsulfanyl)- 5H- spiro[benzo[h][1,2,4]triazolo[3,4- b]quinazoline- 6,1'- cyclohexan]- 7(12H)- one
Smiles: C=CCn1c2c3ccccc3CC3(c2c(=O)n2c1nnc2SCC=C)CCCCC3

STK555639
Synonyms: N,N- diethyl- N'- [2- ethyl- 2- methyl- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidin- 8- yl]ethane- 1,2- diamine
Smiles: CCN(CCNc1ncnc2c1sc1c2c2CC(C)(CC)OCc2c(n1)N1CCOCC1)CC

STK555640
Synonyms: 2- bromo- 4- (9- chloro- 2- phenyl- 1,10b- dihydropyrazolo[1,5- c][1,3]benzoxazin- 5- yl)- 6- methoxyphenylacetate
Smiles: COc1cc(cc(c1OC(=O)C)Br)C1Oc2ccc(cc2C2N1N=C(C2)c1ccccc1)Cl

STK555641
Synonyms: 2- {[2- (4- chlorophenyl)- 2- oxoethyl]sulfanyl}- 3- (4- ethoxyphenyl)- 7- methyl- 5,6,7,8- tetrahydropyrido[4',3':4,5]thieno[2,3- d]pyrimidin- 4(3H)- one
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)Cl)nc2c(c1=O)c1CCN(Cc1s2)C

STK555642
Synonyms: 2- {[4- (4- chlorophenyl)- 7- methyl- 5- oxo- 4,5,6,7,8,9- hexahydro[1]benzothieno[3,2- e][1,2,4]triazolo[4,3- a]pyrimidin- 1- yl]sulfanyl}- N- (4- methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)Cl)CC(CC3)C

STK555643
Synonyms: (6Z)- 5- imino- 6- {3- methoxy- 4- [(4- methylbenzyl)oxy]benzylidene}- 2- [2- oxo- 2- (pyrrolidin- 1- yl)ethyl]- 5,6- dihydro- 7H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 7- one
Smiles: COc1cc(ccc1OCc1ccc(cc1)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

STK555644
Synonyms: 2- (4- ethoxyphenyl)- 5H- spiro[benzo[h][1,2,4]triazolo[1,5- c]quinazoline- 4,1'- cyclopentane]
Smiles: CCOc1ccc(cc1)c1nn2c(n1)c1c(nc2)c2ccccc2CC21CCCC2

STK555646
Synonyms: 1- [2- (diethylamino)ethyl]- 7,7- dimethyl- 2- (4- methylphenyl)- 1,5,7,8- tetrahydro- 4H- pyrano[4,3- d]pyrimidine- 4- thione
Smiles: CCN(CCn1c(nc(=S)c2c1CC(C)(C)OC2)c1ccc(cc1)C)CC

STK555647
Synonyms: butyl4- [(4aR,4bS,7aR,8S)- 8- [(3,4- dimethoxyphenyl)carbonyl]- 5,7- dioxo- 4b,5,7a,8- tetrahydro- 4aH- pyrrolo[3',4':3,4]pyrrolo[1,2- b]pyridazin- 6(7H)- yl]benzoate
Smiles: CCCCOC(=O)c1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccc(c(c2)OC)OC)N=CC=C1

STK555648
Synonyms: (3aR,6aS)- 3- (2,4- dichlorophenyl)- 5- (4- nitrophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: Clc1ccc(c(c1)Cl)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-]

STK555649
Synonyms: 3- (3- chlorophenyl)- 1- (2- phenylethyl)- 1,5,6,7- tetrahydro- 2H- cyclopenta[4,5]thieno[2,3- d]pyrimidine- 2,4(3H)- dione
Smiles: Clc1cccc(c1)n1c(=O)c2c3CCCc3sc2n(c1=O)CCc1ccccc1

STK555650
Synonyms: (8S,8aR,11aS,11bS)- 10- (2- chlorophenyl)- 8- (2,2- dimethylpropanoyl)- 11a,11b- dihydro- 8H- pyrrolo[3',4':3,4]pyrrolo[2,1- a]phthalazine- 9,11(8aH,10H)- dione
Smiles: Clc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)C(C)(C)C)N=Cc2c1cccc2

STK555653
Synonyms: 5- (4- butoxyphenyl)- 3- (4- fluorophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: CCCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1)F

STK555654
Synonyms: 2- methoxy- 6- [4- (prop- 2- en- 1- ylamino)quinazolin- 2- yl]phenol
Smiles: C=CCNc1nc(nc2c1cccc2)c1cccc(c1O)OC

STK555655
Synonyms: (2Z)- 2- cyano- 2- {(5E)- 3- (3,4- dimethylphenyl)- 4- oxo- 5- [4- (prop- 2- en- 1- yloxy)benzylidene]- 1,3- thiazolidin- 2- ylidene}- N- (4- methylphenyl)ethanamide
Smiles: C=CCOc1ccc(cc1)/C=c\1/s/c(=C(\C(=O)Nc2ccc(cc2)C)/C#N)/n(c1=O)c1ccc(c(c1)C)C

STK555656
Synonyms: (6aR,6bS,9aR,10S)- 8- (2,4- dimethylphenyl)- 10- (furan- 2- ylcarbonyl)- 9a,10- dihydro- 6aH- pyrrolo[3',4':3,4]pyrrolo[1,2- a]quinoline- 7,9(6bH,8H)- dione
Smiles: Cc1ccc(c(c1)C)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=Cc2c1cccc2)C(=O)c1ccco1

STK555658
Synonyms: 2- ethyl4- methyl5- {3- [hydroxy(phenyl)amino]- 2,5- dioxopyrrolidin- 1- yl}thiophene- 2,4- dicarboxylate
Smiles: CCOC(=O)c1sc(c(c1)C(=O)OC)N1C(=O)CC(C1=O)N(c1ccccc1)O

STK555660
Synonyms: 3- (4- chlorophenyl)- 7- methyl- 2- [(2- oxo- 2- phenylethyl)sulfanyl]- 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)SCC(=O)c1ccccc1)c1ccc(cc1)Cl

STK555661
Synonyms: 2- ({6- amino- 5- nitro- 2- [(tetrahydrofuran- 2- ylmethyl)amino]pyrimidin- 4- yl}amino)ethanol
Smiles: OCCNc1nc(NCC2CCCO2)nc(c1[N+](=O)[O-])N

STK555662
Synonyms: 2- [(3- benzyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 2- yl)sulfanyl]- N- [2- (trifluoromethyl)phenyl]acetamide
Smiles: O=C(Nc1ccccc1C(F)(F)F)CSc1nc2c3ccccc3CC3(c2c(=O)n1Cc1ccccc1)CCCCC3

STK555663
Synonyms: 2- {(E)- 2- [4- (dimethylamino)phenyl]ethenyl}- 3- (2,4- dimethylphenyl)quinazolin- 4(3H)- one
Smiles: Cc1ccc(c(c1)C)n1c(/C=C/c2ccc(cc2)N(C)C)nc2c(c1=O)cccc2

STK555664
Synonyms: 3- (2- chlorophenyl)- 2,5- diphenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: Clc1ccccc1C1N(OC2C1C(=O)N(C2=O)c1ccccc1)c1ccccc1

STK555666
Synonyms: (2Z)- 2- cyano- N- (4- methylphenyl)- 2- {(5E)- 3- (4- methylphenyl)- 4- oxo- 5- [4- (prop- 2- en- 1- yloxy)benzylidene]- 1,3- thiazolidin- 2- ylidene}ethanamide
Smiles: C=CCOc1ccc(cc1)/C=c\1/s/c(=C(\C(=O)Nc2ccc(cc2)C)/C#N)/n(c1=O)c1ccc(cc1)C

STK555667
Synonyms: ethylN- ({[3- (4- chlorophenyl)- 4- oxo- 3,4,5,6,7,8- hexahydro[1]benzothieno[2,3- d]pyrimidin- 2- yl]sulfanyl}acetyl)glycinate
Smiles: CCOC(=O)CNC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)Cl)CCCC3

STK555669
Synonyms: N~2~- (butan- 2- yl)- N~4~- (2- methoxyphenyl)- 5- nitropyrimidine- 2,4,6- triamine
Smiles: CCC(Nc1nc(Nc2ccccc2OC)c(c(n1)N)[N+](=O)[O-])C

STK555670
Synonyms: N- (3- chloro- 2- methylphenyl)- 2- [(3- ethyl- 4- oxo- 4,6- dihydro- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclopentan]- 2- yl)sulfanyl]acetamide
Smiles: CCn1c(SCC(=O)Nc2cccc(c2C)Cl)nc2c(c1=O)C1(CCCC1)Cc1c2cccc1

STK555671
Synonyms: (3aR,6aS)- 3- (2,4- dichlorophenyl)- 5- (2- methoxy- 5- nitrophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: COc1ccc(cc1N1C(=O)[C@@H]2[C@H](C1=O)C(=NO2)c1ccc(cc1Cl)Cl)[N+](=O)[O-]

STK555672
Synonyms: 4- [(2E)- 2- (2- hydroxy- 3- methoxybenzylidene)hydrazinyl]- N- (4- methoxyphenyl)- 4- oxobutanamide
Smiles: COc1ccc(cc1)NC(=O)CCC(=O)N/N=C/c1cccc(c1O)OC

STK555673
Synonyms: methyl(1R,2R,3R,3aS)- 1- {[4- (acetyloxy)phenyl]carbonyl}- 3- cyano- 2- (furan- 2- yl)- 1,2,3,3a- tetrahydropyrrolo[1,2- a]quinoline- 3- carboxylate
Smiles: COC(=O)[C@]1(C#N)[C@@H](c2ccco2)[C@@H](N2[C@H]1C=Cc1c2cccc1)C(=O)c1ccc(cc1)OC(=O)C

STK555675
Synonyms: 3- (3- chlorophenyl)- 2- [(2- phenylethyl)sulfanyl]- 6,7,8,9- tetrahydropyrimido[4,5- b]quinolin- 4(3H)- one
Smiles: Clc1cccc(c1)n1c(SCCc2ccccc2)nc2c(c1=O)cc1c(n2)CCCC1

STK555676
Synonyms: dimethyl5,5'- (piperazine- 1,4- diyldimethanediyl)difuran- 2- carboxylate
Smiles: COC(=O)c1ccc(o1)CN1CCN(CC1)Cc1ccc(o1)C(=O)OC

STK555677
Synonyms: 6- (3- ethoxyphenyl)- 3- (4- ethoxyphenyl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: CCOc1ccc(cc1)c1nnc2n1nc(s2)c1cccc(c1)OCC

STK555678
Synonyms: (2Z)- 2- cyano- 2- [5- (3,4- dimethylbenzyl)- 3- (3- methoxyphenyl)- 4- oxo- 1,3- thiazolidin- 2- ylidene]ethanamide
Smiles: COc1cccc(c1)N1C(=O)C(S/C/1=C(\C(=O)N)/C#N)Cc1ccc(c(c1)C)C

STK555679
Synonyms: N~2~- (butan- 2- yl)- 6- (4- ethylpiperazin- 1- yl)- 5- nitropyrimidine- 2,4- diamine
Smiles: CCN1CCN(CC1)c1nc(NC(CC)C)nc(c1[N+](=O)[O-])N

STK555681
Synonyms: methyl5- bromo- 3- {[(2E)- 3- (3,4- dimethoxyphenyl)prop- 2- enoyl]amino}- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)/C=C/c1ccc(c(c1)OC)OC)cc(cc2)Br

STK555682
Synonyms: 10,10- dimethyl- 3- (methylsulfanyl)- 5- (propylsulfanyl)- 10,11- dihydro- 8H- pyrano[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[4,3- c]pyrimidine
Smiles: CCCSc1nc2sc3c(c2c2n1c(SC)nn2)CC(OC3)(C)C

STK555684
Synonyms: N- [5- (piperidin- 1- ylacetyl)- 10,11- dihydro- 5H- dibenzo[b,f]azepin- 3- yl]- 2- propylpentanamide
Smiles: CCCC(C(=O)Nc1ccc2c(c1)N(C(=O)CN1CCCCC1)c1ccccc1CC2)CCC

STK555685
Synonyms: 5- (4- fluorophenyl)- 3- (2- methoxyphenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: COc1ccccc1C1N(OC2C1C(=O)N(C2=O)c1ccc(cc1)F)c1ccccc1

STK555687
Synonyms: methyl6- methoxy- 3- ({[1- (4- methylphenyl)cyclopropyl]carbonyl}amino)- 1H- indole- 2- carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)C1(CC1)c1ccc(cc1)C)ccc(c2)OC

STK555688
Synonyms: 2- (3,5- dimethyl- 1H- pyrazol- 1- yl)- N'- {(E)- [2- hydroxy- 3- (prop- 2- en- 1- yl)phenyl]methylidene}acetohydrazide
Smiles: Cc1cc(nn1CC(=O)N/N=C/c1cccc(c1O)CC=C)C

STK555689
Synonyms: 2- {[6,6- dimethyl- 2- (propylsulfanyl)- 5,8- dihydro- 6H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- yl]sulfanyl}- N- (2- methylphenyl)acetamide
Smiles: CCCSc1nc(SCC(=O)Nc2ccccc2C)c2c(n1)sc1c2CC(OC1)(C)C

STK555690
Synonyms: 3- (2,4- dimethylphenyl)- 6- iodo- 2- [(E)- 2- phenylethenyl]quinazolin- 4(3H)- one
Smiles: Cc1ccc(c(c1)C)n1c(/C=C/c2ccccc2)nc2c(c1=O)cc(cc2)I

STK555691
Synonyms: (2E)- 2- (2- acetyl- 1,2,3,4- tetrahydroisoquinolin- 1- yl)- N- (2- fluorophenyl)- 3- hydroxy- 3- (thioformylamino)prop- 2- enamide
Smiles: S=CN/C(=C(/C1N(CCc2c1cccc2)C(=O)C)\C(=O)Nc1ccccc1F)/O

STK555692
Synonyms: 5- benzyl- 3- (2- chlorophenyl)- 2- phenyldihydro- 2H- pyrrolo[3,4- d][1,2]oxazole- 4,6(3H,5H)- dione
Smiles: O=C1C2ON(C(C2C(=O)N1Cc1ccccc1)c1ccccc1Cl)c1ccccc1

STK555693
Synonyms: 2- (4- methoxyphenyl)- 3- [5- (4- methylphenoxy)pentyl]quinazolin- 4(3H)- one
Smiles: COc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCOc1ccc(cc1)C

STK555694
Synonyms: 6- (1,3- benzodioxol- 5- yl)- 3- phenyl- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: c1ccc(cc1)c1nnc2n1N=C(CS2)c1ccc2c(c1)OCO2

STK555695
Synonyms: 2- [(6- bromo- 2- methylquinolin- 4- yl)sulfanyl]- N- (2- hydroxyethyl)acetamide
Smiles: Cc1cc(SCC(=O)NCCO)c2c(n1)ccc(c2)Br

STK555696
Synonyms: N~2~- (furan- 2- ylmethyl)- 5- nitro- 6- (piperidin- 1- yl)pyrimidine- 2,4- diamine
Smiles: [O-][N+](=O)c1c(N)nc(nc1N1CCCCC1)NCc1ccco1

STK555697
Synonyms: N'- {(E)- [4- (benzyloxy)phenyl]methylidene}- 2- [(4- methyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetohydrazide
Smiles: O=C(CSc1nncn1C)N/N=C/c1ccc(cc1)OCc1ccccc1

STK555698
Synonyms: 2- {[5- (3- chlorophenyl)- 4- methyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- N'- {(E)- [4- (dimethylamino)phenyl]methylidene}acetohydrazide
Smiles: O=C(CSc1nnc(n1C)c1cccc(c1)Cl)N/N=C/c1ccc(cc1)N(C)C

STK555699
Synonyms: 4- {(2E)- 2- [1- (2,4- dimethoxyphenyl)ethylidene]hydrazinyl}- N- (4- methoxyphenyl)- 4- oxobutanamide
Smiles: COc1ccc(cc1)NC(=O)CCC(=O)N/N=C(/c1ccc(cc1OC)OC)\C

STK555700
Synonyms: 3- (4- methylphenyl)- 2- {[2- oxo- 2- (thiophen- 2- yl)ethyl]sulfanyl}- 3H- spiro[benzo[h]quinazoline- 5,1'- cyclohexan]- 4(6H)- one
Smiles: Cc1ccc(cc1)n1c(SCC(=O)c2cccs2)nc2c(c1=O)C1(CCCCC1)Cc1c2cccc1