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STL049827
Synonyms: 3,4- dimethyl- N- [(2Z)- 3- {[3- (trifluoromethyl)phenyl]amino}quinoxalin- 2(1H)- ylidene]benzenesulfonamide
Smiles: Cc1cc(ccc1C)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1cccc(c1)C(F)(F)F

STL049830
Synonyms: 3- (5- ethyl- 1,2,4- oxadiazol- 3- yl)- 8- methylquinolin- 2(1H)- one
Smiles: CCc1onc(n1)c1cc2cccc(c2[nH]c1=O)C

STL049848
Synonyms: (8aR)- 7- [2- (3- fluorophenyl)ethyl]tetrahydro[1,3]thiazolo[3,4- a]pyrazine- 5,8- dione
Smiles: Fc1cccc(c1)CCN1CC(=O)N2[C@H](C1=O)CSC2

STL049853
Synonyms: (2Z)- 3- (4- chlorophenyl)- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: Clc1ccc(cc1)/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C

STL049854
Synonyms: (3S,3a'R,8a'S,8b'S)- 2'- (2- chloro- 4- nitrophenyl)- 5,7- dimethyl- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: Cc1cc(C)c2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1Cl)[N+](=O)[O-]

STL049865
Synonyms: 1- (4- hydroxy- 1H- 1,5- benzodiazepin- 2- yl)propan- 2- one
Smiles: CC(=O)CC1=CC(=Nc2c(N1)cccc2)O

STL049866
Synonyms: [1- (2- amino- 2- oxoethyl)cyclohexyl]aceticacid
Smiles: NC(=O)CC1(CCCCC1)CC(=O)O

STL049868
Synonyms: N- {[2- (2- fluorophenyl)ethyl]carbamoyl}- L- leucine
Smiles: CC(C[C@@H](C(=O)O)NC(=O)NCCc1ccccc1F)C

STL049871
Synonyms:
Smiles: CCC([C@@H](c1nnc(o1)SCc1c(C)[nH]c(=O)[nH]c1=O)N)C

STL049873
Synonyms: (5Z)- 1- [2- (3,4- dimethoxyphenyl)ethyl]- 2,6- dioxo- 5- [(piperidinium- 1- ylamino)methylidene]- 1,2,5,6- tetrahydropyrimidin- 4- olate
Smiles: COc1ccc(cc1OC)CCN1C(=O)N=C(/C(=C/N[NH+]2CCCCC2)/C1=O)[O-]

STL049877
Synonyms: 3- (4- fluorophenyl)- 1- {2- [(3- methylphenyl)amino]- 2- oxoethyl}- 1,5,6,7- tetrahydropyrrolo[1,2- a]imidazol- 4- ium
Smiles: O=C(Cn1cc([n+]2c1CCC2)c1ccc(cc1)F)Nc1cccc(c1)C

STL049879
Synonyms: 3- (4- methoxyphenyl)- 4,5- diphenyl- 4,5- dihydropyrrolo[3,4- c]pyrazol- 6(2H)- one
Smiles: COc1ccc(cc1)c1[nH]nc2c1C(c1ccccc1)N(C2=O)c1ccccc1

STL049897
Synonyms: N'- {(E)- [5- (2- methyl- 3- nitrophenyl)furan- 2- yl]methylidene}- 2- (4- nitro- 1H- pyrazol- 1- yl)acetohydrazide
Smiles: O=C(Cn1ncc(c1)[N+](=O)[O-])N/N=C/c1ccc(o1)c1cccc(c1C)[N+](=O)[O-]

STL049908
Synonyms: (4- {(Z)- [2- (2- cyclohexylethyl)- 5- iminio- 7- oxo- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 6(7H)- ylidene]methyl}phenoxy)acetate
Smiles: [O-]C(=O)COc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=[NH2+])nc(s2)CCC1CCCCC1

STL049910
Synonyms: 6- [(2,6- dichlorobenzyl)sulfanyl]- 7H- purin- 2- amine
Smiles: Nc1nc(SCc2c(Cl)cccc2Cl)c2c(n1)nc[nH]2

STL049918
Synonyms: 2- [4- (4- chloro- 3- methylphenoxy)quinazolin- 1- ium- 2- yl]phenolate
Smiles: [O-]c1ccccc1c1nc(Oc2ccc(c(c2)C)Cl)c2c([nH+]1)cccc2

STL049925
Synonyms: 3- (3- methoxyphenyl)- 6,7- diphenyl- 4,8- dihydroimidazo[2,1- c][1,2,4]triazine
Smiles: COc1cccc(c1)C1=NN=c2n(C1)c(c1ccccc1)c([nH]2)c1ccccc1

STL049928
Synonyms: (4Z)- 6- {[cyclohexyl(methyl)amino]methyl}- 4- [(2- methoxyphenyl)imino]- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: COc1ccccc1/N=c/1\nc(N)nc([nH]1)CN(C1CCCCC1)C

STL049929
Synonyms: 1- (2,2- dimethyltetrahydro- 2H- pyran- 4- yl)- 4- (2- ethoxyphenyl)- 4,6- dihydro- 1H- pyrazolo[3,4- e][1,4]thiazepine- 3,7- diol
Smiles: CCOc1ccccc1C1SCC(=Nc2c1c(O)nn2C1CCOC(C1)(C)C)O

STL049931
Synonyms: 2- methyl- 6- ({6- methyl- 2- [(6- oxo- 1,6- dihydropyridazin- 3- yl)oxy]pyrimidin- 4- yl}oxy)pyridazin- 3(2H)- one
Smiles: Cc1cc(nc(n1)Oc1ccc(=O)[nH]n1)Oc1ccc(=O)n(n1)C

STL049932
Synonyms: 2- (4- chlorophenoxy)- N- [(2Z)- 5- (furan- 2- yl)- 1,3,4- thiadiazol- 2(3H)- ylidene]acetamide
Smiles: Clc1ccc(cc1)OCC(=O)/N=c\1/[nH]nc(s1)c1ccco1

STL049937
Synonyms: 1- [(2E)- 4- (2- bromophenyl)- 1,3- thiazol- 2(3H)- ylidene]- 3- phenylurea
Smiles: O=C(/N=c\1/scc([nH]1)c1ccccc1Br)Nc1ccccc1

STL049942
Synonyms: 8- [4- (diphenylmethyl)piperazin- 1- yl]- 2,2- dimethyl- 10- (methylsulfanyl)- 5- (morpholin- 4- yl)- 1,4- dihydro- 2H- pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2- d]pyrimidine
Smiles: CSc1nc(N2CCN(CC2)C(c2ccccc2)c2ccccc2)c2c(n1)c1c(s2)nc(c2c1CC(C)(C)OC2)N1CCOCC1

STL049967
Synonyms: (5E)- 1- (4- methylphenyl)- 2,6- dioxo- 5- {1- [(pyridinium- 3- ylmethyl)amino]propylidene}- 1,2,5,6- tetrahydropyrimidin- 4- olate
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)C)[O-])/NCc1ccc[nH+]c1

STL049968
Synonyms: N- [(2E)- 5- (3,4- dimethoxyphenyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: CCCC(=O)/N=c/1\[nH]nc(s1)c1ccc(c(c1)OC)OC

STL049974
Synonyms: 7- [(2Z)- 3- chlorobut- 2- en- 1- yl]- 6- hydroxy- 8- {[3- (1H- imidazol- 1- yl)propyl]amino}- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: C/C(=C/Cn1c(NCCCn2cncc2)nc2c1c(O)nc(=O)n2C)/Cl

STL049984
Synonyms: N- [(2E)- 5- [(4- fluorophenoxy)methyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]- 2,2- dimethylpropanamide
Smiles: O=C(C(C)(C)C)/N=c/1\[nH]nc(s1)COc1ccc(cc1)F

STL049986
Synonyms: (5E)- 5- ({[3- chloro- 4- (morpholin- 4- yl)phenyl]amino}methylidene)- 3- (4- chlorophenyl)- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: Clc1ccc(cc1)N1C(=O)N=C(/C(=C\Nc2ccc(c(c2)Cl)N2CCOCC2)/C1=O)O

STL049987
Synonyms: N- [(2E)- 5- (3,4- dimethoxyphenyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]pentanamide
Smiles: CCCCC(=O)/N=c/1\[nH]nc(s1)c1ccc(c(c1)OC)OC

STL049989
Synonyms: 4- {[(E)- (2,4- dihydroxyphenyl)methylidene]amino}- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Oc1ccc(c(c1)O)/C=N/n1c(=S)[nH]nc1c1n[nH]c(c1)c1ccccc1

STL049992
Synonyms: (5E)- 1- (4- methoxyphenyl)- 2,6- dioxo- 5- {1- [(pyridinium- 3- ylmethyl)amino]propylidene}- 1,2,5,6- tetrahydropyrimidin- 4- olate
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)OC)[O-])/NCc1ccc[nH+]c1

STL049995
Synonyms: 4- (2- methylpiperidin- 1- yl)[1]benzofuro[3,2- d]pyrimidine
Smiles: CC1CCCCN1c1ncnc2c1oc1c2cccc1

STL049997
Synonyms: 4- [(2- {2- [(Z)- {4- hydroxy- 2,6- dioxo- 1- [4- (propan- 2- yl)phenyl]- 1,6- dihydropyrimidin- 5(2H)- ylidene}methyl]- 1H- indol- 3- yl}ethyl)amino]- 4- oxobutanoicacid
Smiles: O=C(CCC(=O)O)NCCc1c(/C=C\2/C(=NC(=O)N(C2=O)c2ccc(cc2)C(C)C)O)[nH]c2c1cccc2

STL050010
Synonyms: N- (4- nitrophenyl)- 2,3- dihydro- 1H- indole- 1- carboxamide
Smiles: O=C(N1CCc2c1cccc2)Nc1ccc(cc1)[N+](=O)[O-]

STL050017
Synonyms: methylN- [(3- chloro- 4- fluorophenyl)carbamoyl]- D- methioninate
Smiles: CSCC[C@H](C(=O)OC)NC(=O)Nc1ccc(c(c1)Cl)F

STL050023
Synonyms: 2- methyl- 8- (morpholin- 4- ium- 4- ylmethyl)- 4- oxo- 3- [4- (propoxycarbonyl)phenoxy]- 4H- chromen- 7- olate
Smiles: CCCOC(=O)c1ccc(cc1)Oc1c(C)oc2c(c1=O)ccc(c2C[NH+]1CCOCC1)[O-]

STL050026
Synonyms: 6- methoxy- 3- [5- (3- nitrophenyl)- 1,2,4- oxadiazol- 3- yl]quinolin- 2(1H)- one
Smiles: COc1ccc2c(c1)cc(c(=O)[nH]2)c1noc(n1)c1cccc(c1)[N+](=O)[O-]

STL050027
Synonyms: (3S,3a'R,8a'S,8b'S)- 6- chloro- 2'- (2- methoxy- 5- nitrophenyl)- 7- methyl- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: COc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1ccc(c2C)Cl)[N+](=O)[O-]

STL050037
Synonyms: (4Z)- 6- [(4- benzylpiperidin- 1- yl)methyl]- 4- [(2- methoxyphenyl)imino]- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: COc1ccccc1/N=c/1\nc(N)nc([nH]1)CN1CCC(CC1)Cc1ccccc1

STL050051
Synonyms: 2- [4- (2,4- dichlorophenoxy)quinazolin- 1- ium- 2- yl]phenolate
Smiles: Clc1ccc(c(c1)Cl)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STL050052
Synonyms: ethyl5'- [(N,N- diethylglycyl)amino]- 2,3'- bithiophene- 4'- carboxylate
Smiles: CCOC(=O)c1c(scc1c1cccs1)NC(=O)CN(CC)CC

STL050058
Synonyms: 1- {2- [(2,4- dimethoxyphenyl)amino]- 2- oxoethyl}- 3- (4- methylphenyl)- 1,5,6,7- tetrahydropyrrolo[1,2- a]imidazol- 4- ium
Smiles: COc1cc(OC)ccc1NC(=O)Cn1cc([n+]2c1CCC2)c1ccc(cc1)C

STL050062
Synonyms: 8- [(2Z)- 2- (2,6- dihydroxy- 4- oxopyrimidin- 5(4H)- ylidene)hydrazinyl]- 1,3- dimethyl- 7- (4- methylbenzyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: OC1=NC(=O)/C(=N\Nc2nc3c(n2Cc2ccc(cc2)C)c(=O)n(c(=O)n3C)C)/C(=N1)O

STL050072
Synonyms: 3- (4- methoxyphenyl)- 1- {2- oxo- 2- [phenyl(propan- 2- yl)amino]ethyl}- 1,5,6,7- tetrahydropyrrolo[1,2- a]imidazol- 4- ium
Smiles: COc1ccc(cc1)c1cn(c2[n+]1CCC2)CC(=O)N(c1ccccc1)C(C)C

STL050081
Synonyms: 4- {[4- (3- chlorophenyl)piperazin- 4- ium- 1- yl]carbonothioyl}phenolate
Smiles: [O-]c1ccc(cc1)C(=S)N1CC[NH+](CC1)c1cccc(c1)Cl

STL050082
Synonyms: 6- amino- 4- (2- fluorophenyl)- 3- (3- methoxyphenyl)- 2,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: N#CC1=C(N)Oc2c(C1c1ccccc1F)c([nH]n2)c1cccc(c1)OC

STL050084
Synonyms: (2Z)- 7- (4- chlorophenyl)- 2- [(4- methoxyphenyl)imino]- 2,6,7,8- tetrahydroquinazolin- 5(1H)- one
Smiles: COc1ccc(cc1)/N=c/1\ncc2c([nH]1)CC(CC2=O)c1ccc(cc1)Cl

STL050091
Synonyms: 6- hydroxy- 8- [(3- hydroxypropyl)amino]- 3- methyl- 7- (2- oxo- 2- phenylethyl)- 3,7- dihydro- 2H- purin- 2- one
Smiles: OCCCNc1nc2c(n1CC(=O)c1ccccc1)c(O)nc(=O)n2C

STL050092
Synonyms: (5E)- 1- cyclopropyl- 5- {[(furan- 2- ylmethyl)amino]methylidene}- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C/NCc1ccco1)C1CC1

STL050102
Synonyms:
Smiles: Clc1ccc(cc1C(F)(F)F)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccc2c1nsn2

STL050112
Synonyms: (5E)- 1- (3,5- dimethylphenyl)- 2- hydroxy- 5- {[1- (propan- 2- yl)- 1H- indol- 3- yl]methylidene}pyrimidine- 4,6(1H,5H)- dione
Smiles: Cc1cc(C)cc(c1)N1C(=NC(=O)/C(=C\c2cn(c3c2cccc3)C(C)C)/C1=O)O

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

STL050267
Synonyms: (3S,3a'R,8a'S,8b'S)- 2'- (2- methoxy- 4- nitrophenyl)- 5,7- dimethyl- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: COc1cc(ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cc(C)cc2C)[N+](=O)[O-]

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

STL054126
Synonyms: 3- (5- propyl- 1,2,4- oxadiazol- 3- yl)quinolin- 2(1H)- one
Smiles: CCCc1onc(n1)c1cc2ccccc2[nH]c1=O

STL054137
Synonyms: methyl3- {[(2,4- dimethoxyphenyl)sulfonyl]amino}- 1H- indole- 2- carboxylate
Smiles: COc1ccc(c(c1)OC)S(=O)(=O)Nc1c([nH]c2c1cccc2)C(=O)OC

STL054145
Synonyms: (5Z)- 5- [2- (7- ethyl- 6- hydroxy- 3- methyl- 2- oxo- 3,7- dihydro- 2H- purin- 8- yl)hydrazinylidene]- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CCn1c(N/N=C/2\C(=O)NC(=O)N=C2O)nc2c1c(O)nc(=O)n2C

STL054155
Synonyms: 1,3- dimethyl- 2,6- dioxo- 5- {(1E)- N- [4- (pyridinium- 4- ylmethyl)phenyl]propanimidoyl}- 1,2,3,6- tetrahydropyrimidin- 4- olate
Smiles: CC/C(=N\c1ccc(cc1)Cc1cc[nH+]cc1)/c1c([O-])n(C)c(=O)n(c1=O)C

STL054164
Synonyms: (6- fluoro- 2- methylquinolin- 4- yl)(piperidin- 1- yl)methanone
Smiles: O=C(c1cc(C)nc2c1cc(F)cc2)N1CCCCC1

STL054170
Synonyms: 5- amino- 1- (heptan- 2- yl)- 1,2- dihydro- 3H- pyrazol- 3- one
Smiles: CC(n1c(N)cc(=O)[nH]1)CCCCC

STL054171
Synonyms: 4- [4- (2- fluorophenyl)piperazin- 1- yl]- 4- oxo- N- [(2Z)- 5- (trifluoromethyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: O=C(/N=c\1/[nH]nc(s1)C(F)(F)F)CCC(=O)N1CCN(CC1)c1ccccc1F

STL054185
Synonyms: N- (4- bromophenyl)- N'- [(2Z)- 5- cyclohexyl- 1,3,4- thiadiazol- 2(3H)- ylidene]butanediamide
Smiles: O=C(Nc1ccc(cc1)Br)CCC(=O)/N=c\1/[nH]nc(s1)C1CCCCC1

STL054188
Synonyms: N- [(2Z)- 5- cyclohexyl- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- [4- (5- fluoro- 2- methoxybenzyl)piperazin- 1- yl]- 4- oxobutanamide
Smiles: COc1ccc(cc1CN1CCN(CC1)C(=O)CCC(=O)/N=c\1/[nH]nc(s1)C1CCCCC1)F

STL054191
Synonyms: 7- benzyl- 8- [(2Z)- 2- (4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene)hydrazinyl]- 1,3- dimethyl- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: O=C1NC(=O)/C(=N\Nc2nc3c(n2Cc2ccccc2)c(=O)n(c(=O)n3C)C)/C(=N1)O

STL054198
Synonyms: (2E)- 3- [4- (methylsulfanyl)phenyl]- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: CSc1ccc(cc1)/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C

STL054214
Synonyms: 4- ({[4- ammonio- 5- (pyridin- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}methyl)benzoate
Smiles: [O-]C(=O)c1ccc(cc1)CSc1nnc(n1[NH3+])c1ccccn1

STL054215
Synonyms: 3- hydroxy- N- (2- nitrophenyl)- 1,2- dihydropyrido[1,2- a]benzimidazole- 4- carboxamide
Smiles: [O-][N+](=O)c1ccccc1NC(=O)C1=C(O)CCn2c1nc1c2cccc1

STL054219
Synonyms: 4- {4- [(5- chloro- 2- methoxyphenyl)sulfonyl]piperazin- 1- yl}- 4- oxo- N- [(2Z)- 5- propyl- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: CCCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)c2cc(Cl)ccc2OC)/s1

STL054221
Synonyms: (2R)- 2- amino- N'- [(E)- 2H- chromen- 3- ylmethylidene]- 3- phenylpropanehydrazide(non- preferredname)
Smiles: O=C([C@@H](Cc1ccccc1)N)N/N=C/C1=Cc2c(OC1)cccc2

STL054233
Synonyms: 3,4,5- triethoxy- N- [(2Z)- 5- methyl- 1,3,4- thiadiazol- 2(3H)- ylidene]benzamide
Smiles: CCOc1cc(cc(c1OCC)OCC)C(=O)/N=c\1/[nH]nc(s1)C

STL054246
Synonyms: (2E)- 3- [5- (4- carboxyphenyl)furan- 2- yl]- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: [O-]C(=O)/C(=C\c1ccc(o1)c1ccc(cc1)C(=O)O)/Sc1[nH]nc([nH+]1)C

STL054248
Synonyms: 5- (4- ethoxybenzyl)- 3- (2- fluorophenyl)- 6- hydroxy- 5- [2- (pyridin- 4- yl)ethyl]pyrimidine- 2,4(3H,5H)- dione
Smiles: CCOc1ccc(cc1)CC1(CCc2ccncc2)C(=NC(=O)N(C1=O)c1ccccc1F)O

STL054266
Synonyms: (5Z)- 2- hydroxy- 6- oxo- 5- (1- {[3- (piperidinium- 1- yl)propyl]amino}ethylidene)- 5,6- dihydropyrimidin- 4- olate
Smiles: OC1=NC(=O)/C(=C(\NCCC[NH+]2CCCCC2)/C)/C(=N1)[O-]

STL054268
Synonyms: methylN- [(2,2- diphenylethyl)carbamoyl]- D- methioninate
Smiles: CSCC[C@H](C(=O)OC)NC(=O)NCC(c1ccccc1)c1ccccc1

STL054283
Synonyms: (5E)- 2,6- dihydroxy- 5- (1- {[3- (trifluoromethyl)phenyl]amino}propylidene)pyrimidin- 4(5H)- one
Smiles: CC/C(=C\1/C(=NC(=NC1=O)O)O)/Nc1cccc(c1)C(F)(F)F

STL054295
Synonyms: methylN- [(4- sulfamoylphenyl)carbamoyl]- L- methioninate
Smiles: COC(=O)[C@@H](NC(=O)Nc1ccc(cc1)S(=O)(=O)N)CCSC

STL054299
Synonyms: 3- [(4,5- dihydro- 1H- imidazol- 3- ium- 2- ylmethyl)(4- methylphenyl)amino]phenolate
Smiles: Cc1ccc(cc1)N(c1cccc(c1)[O-])CC1=[NH+]CCN1

STL054310
Synonyms: 3- (3,4- dichlorophenyl)- 1- [2- (4- methylphenyl)- 2- oxoethyl]- 1,5,6,7- tetrahydropyrrolo[1,2- a]imidazol- 4- ium
Smiles: Cc1ccc(cc1)C(=O)Cn1cc([n+]2c1CCC2)c1ccc(c(c1)Cl)Cl

STL054312
Synonyms: 3- ethoxy- N- [(2E)- 5- (2- methoxyphenyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]benzamide
Smiles: CCOc1cccc(c1)C(=O)/N=c/1\[nH]nc(s1)c1ccccc1OC

STL054316
Synonyms: 6- amino- N'- [(E)- quinolin- 6- ylmethylidene]hexanehydrazide
Smiles: NCCCCCC(=O)N/N=C/c1ccc2c(c1)cccn2

STL054320
Synonyms: N- [(3- methylbutyl)carbamoyl]- L- phenylalanine
Smiles: CC(CCNC(=O)N[C@H](C(=O)O)Cc1ccccc1)C

STL054321
Synonyms: (4E)- 5- (4- chlorophenyl)- 1- [2- (2- hydroxyethoxy)ethyl]- 4- [hydroxy(4- nitrophenyl)methylidene]pyrrolidine- 2,3- dione
Smiles: OCCOCCN1C(c2ccc(cc2)Cl)/C(=C(/c2ccc(cc2)[N+](=O)[O-])\O)/C(=O)C1=O

STL054323
Synonyms: 4- {[(E)- (2,5- dimethoxyphenyl)methylidene]amino}- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazole- 3- thiol
Smiles: COc1ccc(c(c1)/C=N/n1c(S)nnc1c1n[nH]c(c1)c1ccccc1)OC

STL054329
Synonyms: 4- {[(E)- (1- cycloheptyl- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene)methyl]amino}benzoicacid
Smiles: O=C1N=C(O)/C(=C\Nc2ccc(cc2)C(=O)O)/C(=O)N1C1CCCCCC1

STL054331
Synonyms: ethyl(3- {(E)- [1- (4- fluorophenyl)- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}- 1H- indol- 1- yl)acetate
Smiles: CCOC(=O)Cn1cc(c2c1cccc2)/C=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)F)O

STL054343
Synonyms: 4- {[(E)- (2,3- dimethoxyphenyl)methylidene]amino}- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazole- 3- thiol
Smiles: COc1c(cccc1OC)/C=N/n1c(S)nnc1c1n[nH]c(c1)c1ccccc1

STL054345
Synonyms: 3- chloro- 4- methyl- N- [(7E)- 5- methyl[1,2,4]triazolo[1,5- a]pyrimidin- 7(4H)- ylidene]aniline
Smiles: Cc1c/c(=N\c2ccc(c(c2)Cl)C)/n2c([nH]1)ncn2

STL054349
Synonyms: 4- cyano- 3- methyl- 2- propylpyrido[1,2- a][3,1]benzimidazol- 5- ium- 1- olate
Smiles: CCCc1c(C)c(C#N)c2n(c1[O-])c1ccccc1[nH+]2

STL054357
Synonyms: (5E)- 1- cyclohexyl- 5- [(cyclopentylamino)methylidene]- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: SC1=NC(=O)/C(=C\NC2CCCC2)/C(=O)N1C1CCCCC1

STL054367
Synonyms: 2- methylpropyl[(2,4- dimethoxyphenyl)(hydroxy)methyl][4- (dimethylamino)phenyl]phosphinate
Smiles: COc1ccc(c(c1)OC)C(P(=O)(c1ccc(cc1)N(C)C)OCC(C)C)O

STL054371
Synonyms: (2E)- 3- [5- (4- bromophenyl)furan- 2- yl]- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: Brc1ccc(cc1)c1ccc(o1)/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C

STL054377
Synonyms: 3- chloro- N- [(2E)- 5- (3- methoxyphenyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]benzamide
Smiles: COc1cccc(c1)c1n[nH]/c(=N\C(=O)c2cccc(c2)Cl)/s1

STL054382
Synonyms: 4- (4- benzylpiperazin- 1- yl)- 4- oxo- N- [(2Z)- 5- (propan- 2- yl)- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: CC(c1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)Cc2ccccc2)/s1)C

STL054383
Synonyms: N- {(2S)- 1- [(3- methoxyphenyl)amino]- 3- methyl- 1- oxobutan- 2- yl}- 1- [(4- methylphenyl)sulfonyl]piperidine- 4- carboxamide
Smiles: COc1cccc(c1)NC(=O)[C@H](C(C)C)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C

STL054385
Synonyms: 6'- amino- 1- ethyl- 3'- {[(4- methylphenyl)sulfanyl]methyl}- 2- oxo- 1,2- dihydro- 2'H- spiro[indole- 3,4'- pyrano[2,3- c]pyrazole]- 5'- carbonitrile
Smiles: CCN1c2ccccc2C2(C1=O)C(=C(N)Oc1c2c(CSc2ccc(cc2)C)[nH]n1)C#N

STL054386
Synonyms: methyl[(2E)- 5- (2- methoxyphenyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]carbamate
Smiles: COC(=O)/N=c/1\[nH]nc(s1)c1ccccc1OC

STL054393
Synonyms: 2- methyl- 6- {[(4Z)- 4- [(3- methylphenyl)imino]- 6- (propan- 2- ylamino)- 4,5- dihydro- 1,3,5- triazin- 2- yl]oxy}pyridazin- 3(2H)- one
Smiles: CC(Nc1nc(Oc2ccc(=O)n(n2)C)n/c(=N\c2cccc(c2)C)/[nH]1)C

STL054396
Synonyms: (4E)- 4- [(4- chlorophenyl)(hydroxy)methylidene]- 5- (2- fluorophenyl)pyrrolidine- 2,3- dione
Smiles: Clc1ccc(cc1)/C(=C/1\C(=O)C(=O)NC1c1ccccc1F)/O

STL054432
Synonyms: (6- methoxy- 2- oxo- 1,2- dihydroquinolin- 3- yl)methyl4- fluorobenzoate
Smiles: COc1ccc2c(c1)cc(c(=O)[nH]2)COC(=O)c1ccc(cc1)F

STL054443
Synonyms: N- [7- (4- chlorophenyl)- 5- oxo- 3,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]- 3- methylbutanamide
Smiles: CC(CC(=O)Nc1[nH]c2=NC(=O)CC(n2n1)c1ccc(cc1)Cl)C

STL054456
Synonyms: N'- [(1E)- 1- (1- butyl- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene)ethyl]heptanehydrazide
Smiles: CCCCCCC(=O)NN/C(=C/1\C(=NC(=O)N(C1=O)CCCC)O)/C

STL054458
Synonyms: (5Z)- 4,6- dioxo- 1- (prop- 2- en- 1- yl)- 5- {[2- (1,3,7- trimethyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 9- ium- 8- yl)hydrazinyl]methylidene}- 1,4,5,6- tetrahydropyrimidine- 2- thiolate
Smiles: C=CCN1C(=NC(=O)/C(=C/NNc2[nH+]c3c(n2C)c(=O)n(c(=O)n3C)C)/C1=O)[S-]

STL054473
Synonyms: (5Z)- 5- {[(furan- 2- ylmethyl)amino]methylidene}- 1- (propan- 2- yl)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C\NCc1ccco1)C(C)C

STL054492
Synonyms: {[4- ammonio- 5- (3- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetate
Smiles: COc1cccc(c1)c1nnc(n1[NH3+])SCC(=O)[O-]

STL054499
Synonyms: 2- ({[2- ethyl- 5- (4- methoxyphenyl)- 4- oxothieno[2,3- d]pyrimidin- 3(4H)- yl]amino}methylidene)- 5,5- dimethylcyclohexane- 1,3- dione
Smiles: CCc1nc2scc(c2c(=O)n1NC=C1C(=O)CC(CC1=O)(C)C)c1ccc(cc1)OC

STL054501
Synonyms: (2E)- 3- (4- ethoxy- 3- methoxyphenyl)- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: CCOc1ccc(cc1OC)/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C

STL054504
Synonyms: N- [7- (4- chlorophenyl)- 5- oxo- 3,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]acetamide
Smiles: CC(=O)Nc1[nH]c2=NC(=O)CC(n2n1)c1ccc(cc1)Cl

STL054510
Synonyms: 4- [4- (4- chlorophenyl)piperazin- 1- yl]- 4- oxo- N- [(2Z)- 5- (trifluoromethyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: O=C(N1CCN(CC1)c1ccc(cc1)Cl)CCC(=O)/N=c\1/[nH]nc(s1)C(F)(F)F

STL054514
Synonyms: N- (4- methylphenyl)- Nalpha- (piperidin- 4- ylcarbonyl)- L- phenylalaninamide
Smiles: Cc1ccc(cc1)NC(=O)[C@@H](NC(=O)C1CCNCC1)Cc1ccccc1

STL054524
Synonyms: 6- hydroxy- 1,3- dimethyl- 5- {(1E)- N- [3- (trifluoromethyl)phenyl]propanimidoyl}pyrimidine- 2,4(1H,3H)- dione
Smiles: CC/C(=N\c1cccc(c1)C(F)(F)F)/c1c(O)n(C)c(=O)n(c1=O)C

STL054531
Synonyms: 1- (2- methylbenzyl)- 3- phenyl- 1,5,6,7- tetrahydropyrrolo[1,2- a]imidazol- 4- ium
Smiles: Cc1ccccc1Cn1cc([n+]2c1CCC2)c1ccccc1

STL054536
Synonyms: N- [(E)- (5- nitrothiophen- 2- yl)methylidene]- 1H- benzimidazol- 1- amine
Smiles: [O-][N+](=O)c1ccc(s1)/C=N/n1cnc2c1cccc2

STL054538
Synonyms: N'- [(1Z)- 1- (2,6- dihydroxy- 4- oxopyrimidin- 5(4H)- ylidene)propyl]pentanehydrazide
Smiles: CCCCC(=O)NN/C(=C\1/C(=NC(=NC1=O)O)O)/CC

STL054542
Synonyms: 2- ({6- amino- 2- [(4- chlorobenzyl)amino]- 5- nitropyrimidin- 4- yl}amino)ethanol
Smiles: OCCNc1nc(NCc2ccc(cc2)Cl)nc(c1[N+](=O)[O-])N

STL054546
Synonyms: 6- ({4- (dimethylamino)- 6- [methoxy(methyl)amino]- 1,3,5- triazin- 2- yl}oxy)pyridazin- 3(2H)- one
Smiles: CON(c1nc(Oc2ccc(=O)[nH]n2)nc(n1)N(C)C)C

STL054548
Synonyms: 6- hydroxy- 3- methyl- 7- (4- methylbenzyl)- 8- [(4- methyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]- 3,7- dihydro- 2H- purin- 2- one
Smiles: Cc1ccc(cc1)Cn1c(nc2c1c(O)nc(=O)n2C)Sc1nncn1C

STL054564
Synonyms: N- [(pyridin- 3- ylmethyl)carbamoyl]phenylalanine
Smiles: O=C(NC(C(=O)O)Cc1ccccc1)NCc1cccnc1

STL054568
Synonyms: 3- {2- ammonio- 3- [(4- chlorobenzyl)carbamoyl]- 1H- pyrrolo[2,3- b]quinoxalin- 1- yl}phenolate
Smiles: Clc1ccc(cc1)CNC(=O)c1c2nc3ccccc3nc2n(c1[NH3+])c1cccc(c1)[O-]

STL054570
Synonyms: N- (3,5- dimethylphenyl)- N'- [(2Z)- 5- (2- methylpropyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]butanediamide
Smiles: CC(Cc1n[nH]/c(=N/C(=O)CCC(=O)Nc2cc(C)cc(c2)C)/s1)C

STL054602
Synonyms: N- [7- (4- chlorophenyl)- 5- oxo- 3,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]- 2- methylpropanamide
Smiles: O=C(C(C)C)Nc1nn2c(=NC(=O)CC2c2ccc(cc2)Cl)[nH]1

STL054607
Synonyms: 4- hydroxy- 6,7- dimethoxy- N- [2- (morpholin- 4- yl)ethyl]- 2- oxo- 1,2- dihydroquinoline- 3- carboxamide
Smiles: COc1cc2c(O)c(C(=O)NCCN3CCOCC3)c(=O)[nH]c2cc1OC

STL054611
Synonyms: ethyl4- {[(5- chloro- 2- methoxyphenyl)sulfonyl]amino}- 5- methoxy- 1,2- dimethyl- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c(C)n(c2c1c(NS(=O)(=O)c1cc(Cl)ccc1OC)c(OC)cc2)C

STL054615
Synonyms: 2- [4- (4- cyanophenoxy)quinazolin- 1- ium- 2- yl]phenolate
Smiles: N#Cc1ccc(cc1)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STL054619
Synonyms:
Smiles: CCOCCCNc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccc2c1nsn2

STL054625
Synonyms: 4- oxo- 4- (piperidin- 1- yl)- N- [(2Z)- 5- propyl- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: CCCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCCCC2)/s1

STL054627
Synonyms: N- acridin- 9- yltyrosine
Smiles: OC(=O)C(Nc1c2ccccc2nc2c1cccc2)Cc1ccc(cc1)O

STL054628
Synonyms: (5Z)- 3- butyl- 5- {1- [(furan- 2- ylmethyl)amino]ethylidene}- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CCCCN1C(=O)N=C(/C(=C(/NCc2ccco2)\C)/C1=O)O

STL054637
Synonyms: 2- {4- [2- (propan- 2- yloxy)phenoxy]quinazolin- 1- ium- 2- yl}phenolate
Smiles: CC(Oc1ccccc1Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-])C

STL054649
Synonyms: 4- {[(E)- {1- [2- (cyclohex- 1- en- 1- yl)ethyl]- 4,6- dioxo- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene}methyl]amino}benzoicacid
Smiles: OC(=O)c1ccc(cc1)N/C=C/1\C(=O)N=C(N(C1=O)CCC1=CCCCC1)S

STL054655
Synonyms: 3- (3- chloro- 4- methoxyphenyl)tetrahydrothieno[3,4- d][1,3]thiazol- 2(3H)- imine5,5- dioxide
Smiles: COc1ccc(cc1Cl)N1C(=N)SC2C1CS(=O)(=O)C2

STL054656
Synonyms: 4- {[(E)- biphenyl- 4- ylmethylidene]amino}- 5- (2,4,5,6- tetrahydrocyclopenta[c]pyrazol- 3- yl)- 4H- 1,2,4- triazole- 3- thiol
Smiles: Sc1nnc(n1/N=C/c1ccc(cc1)c1ccccc1)c1[nH]nc2c1CCC2

STL054657
Synonyms: 9- [3- methoxy- 4- (propan- 2- yloxy)phenyl]- 6,6- dimethyl- 5,6,7,9- tetrahydro[1,2,4]triazolo[5,1- b]quinazolin- 8- ol
Smiles: COc1cc(ccc1OC(C)C)C1C2=C(O)CC(CC2=Nc2n1ncn2)(C)C

STL054659
Synonyms: {[5- (4- tert- butylphenyl)- 4- methyl- 4H- 1,2,4- triazol- 2- ium- 3- yl]sulfanyl}acetate
Smiles: [O-]C(=O)CSc1[nH+]nc(n1C)c1ccc(cc1)C(C)(C)C

STL054667
Synonyms: 2- [4- (2- methylphenoxy)quinazolin- 1- ium- 2- yl]phenolate
Smiles: Cc1ccccc1Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STL054670
Synonyms: N- [7- (4- chlorophenyl)- 5- oxo- 3,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]- 4- methylbenzenesulfonamide
Smiles: Cc1ccc(cc1)S(=O)(=O)Nc1[nH]c2=NC(=O)CC(n2n1)c1ccc(cc1)Cl

STL054674
Synonyms: N- cyclooctyl- N'- [(2Z)- 5- (trifluoromethyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]butanediamide
Smiles: O=C(NC1CCCCCCC1)CCC(=O)/N=c\1/[nH]nc(s1)C(F)(F)F

STL054683
Synonyms: (5E)- 1- cyclohexyl- 5- {[(2- methylpropyl)amino]methylidene}- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: CC(CN/C=C/1\C(=O)N=C(N(C1=O)C1CCCCC1)S)C

STL054685
Synonyms: 4,4- dimethoxy- 4,5,6,7- tetrahydro- 2,1,3- benzoxadiazol- 5- ol
Smiles: COC1(OC)C(O)CCc2c1non2

STL054690
Synonyms: (5E)- 3- cyclohexyl- 5- [1- (hexylamino)propylidene]- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CCCCCCN/C(=C/1\C(=NC(=O)N(C1=O)C1CCCCC1)O)/CC

STL054697
Synonyms: (5E)- 1- cyclopropyl- 4,6- dioxo- 5- {[(2,2,6,6- tetramethylpiperidinium- 4- yl)amino]methylidene}- 1,4,5,6- tetrahydropyrimidine- 2- thiolate
Smiles: O=C1N=C([S-])N(C(=O)/C/1=C/NC1CC(C)(C)[NH2+]C(C1)(C)C)C1CC1

STL054701
Synonyms: (5Z)- 1- (4- methoxyphenyl)- 4,6- dioxo- 5- {[2- (1,3,7- trimethyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 9- ium- 8- yl)hydrazinyl]methylidene}- 1,4,5,6- tetrahydropyrimidine- 2- thiolate
Smiles: COc1ccc(cc1)N1C(=NC(=O)/C(=C/NNc2[nH+]c3c(n2C)c(=O)n(c(=O)n3C)C)/C1=O)[S-]

STL054711
Synonyms: 2- bromo- 6- ethoxy- 4- {(E)- [2- (morpholin- 4- ium- 4- yl)- 4- oxo- 1,3- thiazol- 5(4H)- ylidene]methyl}phenolate
Smiles: CCOc1cc(/C=C\2/SC(=NC2=O)[NH+]2CCOCC2)cc(c1[O-])Br

STL054727
Synonyms: N- cyclopentyl- N'- [(2Z)- 5- (2- methylpropyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]butanediamide
Smiles: CC(Cc1n[nH]/c(=N/C(=O)CCC(=O)NC2CCCC2)/s1)C

STL054728
Synonyms: (2Z)- 2- [(2,4- dichlorophenyl)imino]- 7- (furan- 2- yl)- 2,6,7,8- tetrahydroquinazolin- 5(1H)- one
Smiles: Clc1ccc(c(c1)Cl)/N=c/1\ncc2c([nH]1)CC(CC2=O)c1ccco1

STL054740
Synonyms: 6'- amino- 5- fluoro- 3'- (methoxymethyl)- 2- oxo- 1,2- dihydro- 2'H- spiro[indole- 3,4'- pyrano[2,3- c]pyrazole]- 5'- carbonitrile
Smiles: COCc1[nH]nc2c1C1(C(=O)Nc3c1cc(F)cc3)C(=C(O2)N)C#N

STL054742
Synonyms: 1- (2,2- dimethyltetrahydro- 2H- pyran- 4- yl)- 4- (4- fluorophenyl)- 4,6- dihydro- 1H- pyrazolo[3,4- e][1,4]thiazepine- 3,7- diol
Smiles: Fc1ccc(cc1)C1SCC(=Nc2c1c(O)nn2C1CCOC(C1)(C)C)O

STL054744
Synonyms: N,N'- ethane- 1,2- diylbis(5- hydroxypyridine- 3- carboxamide)
Smiles: Oc1cncc(c1)C(=O)NCCNC(=O)c1cncc(c1)O

STL054745
Synonyms: 2- cyclopropyl- 5,6,7,8- tetrahydro[1]benzothieno[2,3- d]pyrimidin- 4- ol
Smiles: Oc1nc(nc2c1c1CCCCc1s2)C1CC1

STL054746
Synonyms: 2- chloro- N- [(2- oxo- 1,2- dihydroquinolin- 4- yl)methyl]- N- phenylacetamide
Smiles: ClCC(=O)N(c1ccccc1)Cc1cc(=O)[nH]c2c1cccc2

STL054752
Synonyms: 4- (2- fluorophenyl)- 2- phenyl- 4,6,7,8- tetrahydro- 2H- pyrazolo[3,4- b]quinoline- 3,5- diol
Smiles: OC1=C2C(=Nc3c(C2c2ccccc2F)c(O)n(n3)c2ccccc2)CCC1

STL054756
Synonyms: (5E)- 5- [(1- ethyl- 1H- indol- 3- yl)methylidene]- 1- (prop- 2- en- 1- yl)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: C=CCN1C(=NC(=O)/C(=C\c2cn(c3c2cccc3)CC)/C1=O)S

STL054772
Synonyms: 3- (2- ethoxyphenyl)- 6- hydroxy- 1',6'- dimethyl- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4(3H)- dione
Smiles: CCOc1ccccc1N1C(=O)N=C(C2(C1=O)CN(C)c1c(C2)cc(cc1)C)O

STL054778
Synonyms: 5- [4- (benzyloxy)benzyl]- 6- hydroxy- 5- [2- (pyridin- 4- yl)ethyl]pyrimidine- 2,4(3H,5H)- dione
Smiles: O=C1NC(=O)C(C(=N1)O)(CCc1ccncc1)Cc1ccc(cc1)OCc1ccccc1

STL054796
Synonyms: (5Z)- 5- [(1- tert- butyl- 1H- pyrrol- 2- yl)methylidene]- 3- (3- fluorophenyl)- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: Fc1cccc(c1)N1C(=O)N=C(/C(=C/c2cccn2C(C)(C)C)/C1=O)O

STL054812
Synonyms: (5Z)- 3- butyl- 5- {1- [(2,4- dimethoxyphenyl)amino]ethylidene}- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CCCCN1C(=O)N=C(/C(=C(/Nc2ccc(cc2OC)OC)\C)/C1=O)O

STL054814
Synonyms: (E)- {2- (3- hydroxyphenyl)- 1- [3- (1H- imidazol- 3- ium- 1- yl)propyl]- 4,5- dioxopyrrolidin- 3- ylidene}(2- methyl- 2,3- dihydro- 1- benzofuran- 5- yl)methanolate
Smiles: CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)O)CCCn1c[nH+]cc1)/[O-]

STL054816
Synonyms: 5- [(E)- (benzylimino)methyl]- 2- hydroxy- 4- (phenylamino)pyridine- 3- carbonitrile
Smiles: N#Cc1c(O)ncc(c1Nc1ccccc1)/C=N/Cc1ccccc1

STL054818
Synonyms: (4E)- 1- (1,5- dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4- yl)- 5- (4- fluorophenyl)- 4- [hydroxy(phenyl)methylidene]pyrrolidine- 2,3- dione
Smiles: Fc1ccc(cc1)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1c(=O)n(n(c1C)C)c1ccccc1

STL054835
Synonyms: N- [(2E)- 5- (3,4- dimethoxyphenyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 2- (4- fluorophenoxy)acetamide
Smiles: COc1cc(ccc1OC)c1n[nH]/c(=N\C(=O)COc2ccc(cc2)F)/s1

STL054837
Synonyms: 2- amino- 9- (2- chloro- 6- fluorophenyl)- 7- hydroxy- 4- methyl- 8,9- dihydrothieno[2,3- b:4,5- b']dipyridine- 3- carbonitrile
Smiles: N#Cc1c(N)nc2c(c1C)sc1c2C(CC(=N1)O)c1c(F)cccc1Cl

STL054838
Synonyms: 4- {[(3Z)- 3- {[(2,5- dimethylphenyl)sulfonyl]imino}- 3,4- dihydroquinoxalin- 2- yl]amino}benzoicacid
Smiles: Cc1ccc(c(c1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1ccc(cc1)C(=O)O)C

STL054843
Synonyms: N- [(3E)- 1,7- dimethyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]butanamide
Smiles: CCCC(=O)/N=c\1/[nH]n(c2c1cc1ccc(cc1n2)C)C

STL054853
Synonyms: N- ethyl- N- [(2- hydroxyquinolin- 4- yl)methyl]- 2- methylpropanamide
Smiles: CCN(C(=O)C(C)C)Cc1cc(O)nc2c1cccc2

STL054862
Synonyms: (5E)- 5- {1- [(2,5- dimethoxyphenyl)amino]propylidene}- 2,6- dihydroxypyrimidin- 4(5H)- one
Smiles: COc1ccc(c(c1)N/C(=C/1\C(=NC(=NC1=O)O)O)/CC)OC

STL054867
Synonyms: 2- amino- 3- methyl- N'- [(E)- quinoxalin- 6- ylmethylidene]butanehydrazide(non- preferredname)
Smiles: CC(C(C(=O)N/N=C/c1ccc2c(c1)nccn2)N)C

STL054868
Synonyms: N- [(4Z)- 6,6- dimethyl- 1,5,6,8- tetrahydro- 4H- pyrano[4',3':4,5]thieno[2,3- d]pyrimidin- 4- ylidene]- 4- methoxyaniline
Smiles: COc1ccc(cc1)/N=c/1\nc[nH]c2c1c1CC(C)(C)OCc1s2

STL054871
Synonyms: 3- chloro- N- [(2E)- 5- [2- (morpholin- 4- yl)ethyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]benzamide
Smiles: Clc1cccc(c1)C(=O)/N=c/1\[nH]nc(s1)CCN1CCOCC1

STL054873
Synonyms: 3- [(5Z)- 5- ({3- [2- methyl- 4- (propan- 2- yloxy)phenyl]- 1- phenyl- 1H- pyrazol- 4- yl}methylidene)- 4- oxo- 2- thioxo- 1,3- thiazolidin- 3- yl]propanoicacid
Smiles: OC(=O)CCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2C)OC(C)C)c2ccccc2)/C1=O

STL054893
Synonyms: 3- {[(1E)- 1- (1- benzyl- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene)propyl]amino}benzoicacid
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)Cc1ccccc1)O)/Nc1cccc(c1)C(=O)O

STL054898
Synonyms: 4- {4- [(4- chlorophenyl)sulfonyl]piperazin- 1- yl}- 4- oxo- N- [(2Z)- 5- propyl- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: CCCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)c2ccc(cc2)Cl)/s1

STL054903
Synonyms: N'- [(E)- (4- hydroxyphenyl)methylidene]- 2- [(2- methyl- 4- oxoquinazolin- 3(4H)- yl)oxy]acetohydrazide
Smiles: O=C(COn1c(C)nc2c(c1=O)cccc2)N/N=C/c1ccc(cc1)O

STL054915
Synonyms: N- [7- (4- chlorophenyl)- 5- oxo- 3,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]- 2- (3,4- dimethoxyphenyl)acetamide
Smiles: COc1cc(ccc1OC)CC(=O)Nc1nn2c(=NC(=O)CC2c2ccc(cc2)Cl)[nH]1

STL054922
Synonyms: 4- {[(E)- (3- ethoxy- 2- hydroxyphenyl)methylidene]amino}- 5- (5- methyl- 1H- pyrazol- 3- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: CCOc1cccc(c1O)/C=N/n1c(=S)[nH]nc1c1n[nH]c(c1)C

STL054923
Synonyms: 3- [5- (3,4- dimethoxyphenyl)- 1,2,4- oxadiazol- 3- yl]- 6- methylquinolin- 2(1H)- one
Smiles: COc1cc(ccc1OC)c1onc(n1)c1cc2cc(C)ccc2[nH]c1=O

STL054929
Synonyms: (2E)- 3- {4- [(4- carboxybenzyl)oxy]phenyl}- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: [O-]C(=O)/C(=C\c1ccc(cc1)OCc1ccc(cc1)C(=O)O)/Sc1[nH]nc([nH+]1)C

STL054952
Synonyms: propyl4- {[(3Z)- 3- {[(2,5- dimethylphenyl)sulfonyl]imino}- 3,4- dihydroquinoxalin- 2- yl]amino}benzoate
Smiles: CCCOC(=O)c1ccc(cc1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cc(C)ccc1C

STL054958
Synonyms: 2- ({(1E)- 1- [4- hydroxy- 2,6- dioxo- 1- (prop- 2- en- 1- yl)- 1,6- dihydropyrimidin- 5(2H)- ylidene]ethyl}amino)- N,N,N- trimethylethanaminium
Smiles: C=CCN1C(=O)N=C(/C(=C(\NCC[N+](C)(C)C)/C)/C1=O)O

STL054960
Synonyms: (5Z)- 5- [(1- ethyl- 2,5- dimethyl- 1H- pyrrol- 3- yl)methylidene]- 6- hydroxy- 3- (4- methoxyphenyl)pyrimidine- 2,4(3H,5H)- dione
Smiles: COc1ccc(cc1)N1C(=O)N=C(/C(=C/c2cc(n(c2C)CC)C)/C1=O)O

STL055000
Synonyms: ethyl[(5Z)- 5- {[(phenylsulfanyl)acetyl]imino}- 4,5- dihydro- 1,3,4- thiadiazol- 2- yl]acetate
Smiles: CCOC(=O)Cc1n[nH]/c(=N/C(=O)CSc2ccccc2)/s1

STL055010
Synonyms: 4- {[(1E,2E)- 3- (2- nitrophenyl)prop- 2- en- 1- ylidene]amino}- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazole- 3- thiol
Smiles: [O-][N+](=O)c1ccccc1/C=C/C=N/n1c(S)nnc1c1n[nH]c(c1)c1ccccc1

STL055011
Synonyms: ethyl5- (cyanomethyl)- 3- methyl- 1- benzofuran- 2- carboxylate
Smiles: CCOC(=O)c1oc2c(c1C)cc(cc2)CC#N

STL055013
Synonyms: (5E)- 1- (prop- 2- en- 1- yl)- 2- sulfanyl- 5- [(tricyclo[3.3.1.1~3,7~]dec- 2- ylamino)methylidene]pyrimidine- 4,6(1H,5H)- dione
Smiles: C=CCN1C(=NC(=O)/C(=C\NC2C3CC4CC2CC(C3)C4)/C1=O)S

STL055022
Synonyms: N,N- diethyl- 2- [(2- ethyl[1]benzofuro[3,2- d]pyrimidin- 4- yl)oxy]ethanamine
Smiles: CCN(CCOc1nc(CC)nc2c1oc1c2cccc1)CC

STL055036
Synonyms: (3aR,6aS)- 3- (2,4- dimethoxyphenyl)- 5- (2- methyl- 4- nitrophenyl)- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: COc1ccc(c(c1)OC)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1C)[N+](=O)[O-]

STL055058
Synonyms: (5E)- 3- benzyl- 6- hydroxy- 5- (1- {[3- (1H- imidazol- 1- yl)propyl]amino}ethylidene)pyrimidine- 2,4(3H,5H)- dione
Smiles: O=C1N=C(O)/C(=C(\NCCCn2cncc2)/C)/C(=O)N1Cc1ccccc1

STL055059
Synonyms: 4,11,11- trimethyl- 8- nitro- 3,4- dihydro- 1,4- methanophenazine- 1(2H)- carboxylicacid
Smiles: [O-][N+](=O)c1ccc2c(c1)nc1c(n2)C2(C(C1(CC2)C(=O)O)(C)C)C

STL055061
Synonyms: 5- propyl- 4,6,7,8- tetrahydrocyclopenta[d]pyrazolo[3,4- b]pyridin- 1- amine
Smiles: CCCc1[nH]c2nnc(c2c2c1CCC2)N

STL055063
Synonyms: 3- {[(4- fluoro- 3- methylphenyl)sulfonyl]amino}- 1H- indole- 2- carboxylicacid
Smiles: OC(=O)c1[nH]c2c(c1NS(=O)(=O)c1ccc(c(c1)C)F)cccc2

STL055076
Synonyms: 4- {[(E)- (4- hydroxyphenyl)methylidene]amino}- 5- (2,4,5,6- tetrahydrocyclopenta[c]pyrazol- 3- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: Oc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1[nH]nc2c1CCC2

STL055077
Synonyms: 4- {[(E)- (5- bromo- 2- methoxyphenyl)methylidene]amino}- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazole- 3- thiol
Smiles: COc1ccc(cc1/C=N/n1c(S)nnc1c1n[nH]c(c1)c1ccccc1)Br

STL055097
Synonyms: (2E)- 3- [5- (2,5- dichlorophenyl)furan- 2- yl]- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: Clc1ccc(c(c1)c1ccc(o1)/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C)Cl

STL055110
Synonyms: ethyl5- (acetyloxy)- 2- [(dimethylamino)methyl]- 1- methyl- 1H- indole- 3- carboxylate
Smiles: CCOC(=O)c1c(CN(C)C)n(c2c1cc(cc2)OC(=O)C)C

STL055113
Synonyms: 2- (3,4- dimethoxybenzyl)- 12- phenyl- 12H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 3- ium- 9- olate
Smiles: COc1ccc(cc1OC)Cc1[nH+]n2c(n1)c1c(nc2)Oc2c(C1c1ccccc1)ccc(c2)[O-]

STL055125
Synonyms: 2- [4- (4- nitrophenyl)piperazin- 1- yl]- 5- (propan- 2- ylidene)- 1,3- thiazol- 4(5H)- one
Smiles: CC(=C1SC(=NC1=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])C

STL055128
Synonyms: 4- chloro- N- [4- hydroxy- 1- (2- methylpropyl)- 2,6- dioxo- 5- (trifluoromethyl)- 2,5,6,7- tetrahydro- 1H- pyrrolo[2,3- d]pyrimidin- 5- yl]benzenesulfonamide
Smiles: CC(Cn1c(=O)nc(c2c1NC(=O)C2(NS(=O)(=O)c1ccc(cc1)Cl)C(F)(F)F)O)C

STL055129
Synonyms: 8- (cyclopentylamino)- 3,7- dimethyl- 1- (4- nitrobenzyl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: O=c1n(Cc2ccc(cc2)[N+](=O)[O-])c(=O)c2c(n1C)nc(n2C)NC1CCCC1

STL055137
Synonyms: 6- (2,6- dimethoxyphenyl)- 3- (2,4,5,6- tetrahydrocyclopenta[c]pyrazol- 3- yl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: COc1cccc(c1c1nn2c(s1)nnc2c1[nH]nc2c1CCC2)OC

STL055140
Synonyms: tert- butylN- {(E)- [1- (4- bromophenyl)- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]methyl}methioninate
Smiles: CSCCC(C(=O)OC(C)(C)C)N/C=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)Br)O

STL055145
Synonyms: N'- [(E)- (5- bromo- 2- hydroxyphenyl)methylidene]- 2- [(2- methyl- 4- oxoquinazolin- 3(4H)- yl)oxy]acetohydrazide
Smiles: O=C(COn1c(C)nc2c(c1=O)cccc2)N/N=C/c1cc(Br)ccc1O

STL055152
Synonyms: N- [(2- methoxybenzyl)carbamoyl]valine
Smiles: COc1ccccc1CNC(=O)NC(C(=O)O)C(C)C

STL055157
Synonyms: N- [(2Z)- 5- (3,4- dimethoxybenzyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: CCCC(=O)/N=c\1/[nH]nc(s1)Cc1ccc(c(c1)OC)OC

STL055176
Synonyms: ethylN- {[(4- methyl- 5- phenyl- 4H- 1,2,4- triazol- 3- yl)sulfanyl]acetyl}glycinate
Smiles: CCOC(=O)CNC(=O)CSc1nnc(n1C)c1ccccc1

STL055184
Synonyms: tert- butyl(3- {(2E)- 2- [(2- methyl- 2H- chromen- 3- yl)methylidene]hydrazinyl}- 3- oxopropyl)carbamate(non- preferredname)
Smiles: O=C(N/N=C/C1=Cc2ccccc2OC1C)CCNC(=O)OC(C)(C)C

STL055187
Synonyms: N- [(2Z)- 5- cyclohexyl- 1,3,4- thiadiazol- 2(3H)- ylidene]- N'- (2- methoxybenzyl)butanediamide
Smiles: COc1ccccc1CNC(=O)CCC(=O)/N=c\1/[nH]nc(s1)C1CCCCC1

STL055192
Synonyms: (5E)- 1- benzyl- 2,6- dioxo- 5- [(1- propyl- 1,2,3,4- tetrahydroquinolinium- 6- yl)methylidene]- 1,2,5,6- tetrahydropyrimidin- 4- olate
Smiles: CCC[NH+]1CCCc2c1ccc(c2)/C=C/1\C(=NC(=O)N(C1=O)Cc1ccccc1)[O-]

STL055195
Synonyms: 2- (3,5- dimethyl- 4- nitro- 1H- pyrazol- 1- yl)- N'- [(E)- pyridin- 3- ylmethylidene]propanehydrazide
Smiles: O=C(C(n1nc(c(c1C)[N+](=O)[O-])C)C)N/N=C/c1cccnc1

STL055200
Synonyms: 4- {[(E)- (2- hydroxy- 3- methoxyphenyl)methylidene]amino}- 5- (5- methyl- 1H- pyrazol- 3- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cccc(c1O)/C=N/n1c(=S)[nH]nc1c1n[nH]c(c1)C

STL055207
Synonyms: N- [(3- chloro- 4- methoxyphenyl)carbamoyl]valine
Smiles: COc1ccc(cc1Cl)NC(=O)NC(C(=O)O)C(C)C

STL055217
Synonyms: N- (2- phenyl[1]benzofuro[3,2- d]pyrimidin- 4- yl)- D- methionine
Smiles: CSCC[C@H](C(=O)O)Nc1nc(nc2c1oc1c2cccc1)c1ccccc1

STL055222
Synonyms: 1- {5- [(2,5- dimethylbenzyl)sulfanyl]- 1,3,4- oxadiazol- 2- yl}- 2- phenylethanamine
Smiles: Cc1ccc(c(c1)CSc1nnc(o1)C(Cc1ccccc1)N)C

STL055224
Synonyms: (2Z)- 2- [(4- methoxyphenyl)imino]- 7,7- dimethyl- 2,6,7,8- tetrahydroquinazolin- 5(1H)- one
Smiles: COc1ccc(cc1)/N=c/1\ncc2c([nH]1)CC(CC2=O)(C)C

STL055232
Synonyms: 2- (4- methoxyphenyl)- N- (5- oxo- 7- phenyl- 3,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl)acetamide
Smiles: COc1ccc(cc1)CC(=O)Nc1[nH]c2=NC(=O)CC(n2n1)c1ccccc1

STL055236
Synonyms: 3- [(cyclohexylamino)methyl]- 6- methoxyquinolin- 2(1H)- one
Smiles: COc1ccc2c(c1)cc(c(=O)[nH]2)CNC1CCCCC1

STL055247
Synonyms: (4E)- 1- [2- (2- hydroxyethoxy)ethyl]- 4- [hydroxy(thiophen- 2- yl)methylidene]- 5- (pyridin- 2- yl)pyrrolidine- 2,3- dione
Smiles: OCCOCCN1C(c2ccccn2)/C(=C(/c2cccs2)\O)/C(=O)C1=O

STL055251
Synonyms: 2- (2- chlorophenoxy)- N- [(2Z)- 1,3,4- thiadiazol- 2(3H)- ylidene]acetamide
Smiles: O=C(/N=c/1\scn[nH]1)COc1ccccc1Cl

STL055253
Synonyms: (2E)- (5- bromo- 1- ethyl- 2- oxo- 1,2- dihydro- 3H- indol- 3- ylidene)[(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]ethanoate
Smiles: CCN1C(=O)/C(=C(\C(=O)[O-])/Sc2[nH]nc([nH+]2)C)/c2c1ccc(c2)Br

STL055254
Synonyms: (5Z)- 1- (butan- 2- yl)- 5- ({[4- (propan- 2- yl)phenyl]amino}methylidene)- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: CCC(N1C(=NC(=O)/C(=C/Nc2ccc(cc2)C(C)C)/C1=O)S)C

STL055258
Synonyms: 6- methoxy- 3- {[(2- methoxyphenyl)amino]methyl}quinolin- 2(1H)- one
Smiles: COc1ccc2c(c1)cc(c(=O)[nH]2)CNc1ccccc1OC

STL055261
Synonyms: 3- [(cyclohexylamino)methyl]- 8- methylquinolin- 2(1H)- one
Smiles: Cc1cccc2c1[nH]c(=O)c(c2)CNC1CCCCC1

STL055265
Synonyms: (2Z)- 2- [(3- fluorophenyl)imino]- 5- nitro- N~6~- phenyl- 1,2- dihydropyrimidine- 4,6- diamine
Smiles: Fc1cccc(c1)/N=c/1\nc(N)c(c([nH]1)Nc1ccccc1)[N+](=O)[O-]

STL055271
Synonyms: 1- {5- [(4- chlorobenzyl)sulfanyl]- 1,3,4- oxadiazol- 2- yl}- 2- methylbutan- 1- amine
Smiles: CCC(C(c1nnc(o1)SCc1ccc(cc1)Cl)N)C

STL055300
Synonyms: (3S,3a'R,8a'S,8b'S)- 5,7- dimethyl- 2'- (2- methyl- 4- nitrophenyl)- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: Cc1cc(C)c2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1C)[N+](=O)[O-]

STL055304
Synonyms: 8- {[4- (2- hydroxyethyl)piperazin- 1- ium- 1- yl]methyl}- 3- (4- methoxyphenyl)- 4- oxo- 2- (trifluoromethyl)- 4H- chromen- 7- olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1oc(c(c2=O)c1ccc(cc1)OC)C(F)(F)F

STL055316
Synonyms: (2Z)- 2- [(4- ethylphenyl)imino]- 7- (thiophen- 2- yl)- 2,6,7,8- tetrahydroquinazolin- 5(1H)- one
Smiles: CCc1ccc(cc1)/N=c/1\ncc2c([nH]1)CC(CC2=O)c1cccs1

STL055320
Synonyms: 6- amino- 4- (2,4- dichlorophenyl)- 3- (4- ethoxy- 3- methoxyphenyl)- 2,4- dihydropyrano[2,3- c]pyrazole- 5- carbonitrile
Smiles: CCOc1ccc(cc1OC)c1[nH]nc2c1C(C(=C(O2)N)C#N)c1ccc(cc1Cl)Cl

STL055329
Synonyms: 4- {[4- (butan- 2- yl)- 2,5- dioxoimidazolidin- 1- yl]methyl}benzenesulfonamide
Smiles: CCC(C1NC(=O)N(C1=O)Cc1ccc(cc1)S(=O)(=O)N)C

STL055330
Synonyms: N- (1,2,3,4- tetrahydronaphthalen- 1- ylcarbamoyl)- L- valine
Smiles: O=C(NC1CCCc2c1cccc2)N[C@H](C(=O)O)C(C)C

STL055336
Synonyms: N,N,N',N'- tetramethyl- P- [(4- nitrophenoxy)methyl]phosphonicdiamide
Smiles: CN(P(=O)(N(C)C)COc1ccc(cc1)[N+](=O)[O-])C

STL055356
Synonyms: N- [2- (dimethylamino)ethyl]- 2- methylquinoline- 4- carboxamide
Smiles: CN(CCNC(=O)c1cc(C)nc2c1cccc2)C

STL055367
Synonyms: 4- {[(E)- (3- methylphenyl)methylidene]amino}- 5- (5- phenyl- 1H- pyrazol- 3- yl)- 4H- 1,2,4- triazole- 3- thiol
Smiles: Cc1cccc(c1)/C=N/n1c(S)nnc1c1n[nH]c(c1)c1ccccc1

STL055376
Synonyms: 2- amino- N'- [(E)- 2H- chromen- 3- ylmethylidene]- 3- methylbutanehydrazide(non- preferredname)
Smiles: CC(C(C(=O)N/N=C/C1=Cc2c(OC1)cccc2)N)C

STL055379
Synonyms: 4- (1,3- dimethyl- 2,6- dioxo- 2,3,6,7- tetrahydro- 1H- purin- 9- ium- 8- yl)phenolate
Smiles: [O-]c1ccc(cc1)c1[nH]c2c([nH+]1)n(C)c(=O)n(c2=O)C

STL055380
Synonyms: ethyl4- [4- (4- fluorophenyl)- 3- methyl- 6- oxo- 2,6- dihydropyrrolo[3,4- c]pyrazol- 5(4H)- yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=O)c2c(C1c1ccc(cc1)F)c([nH]n2)C

STL055381
Synonyms: N- tert- butyl- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]propanamide
Smiles: CCC(=O)N(C(C)(C)C)Cc1cc2ccccc2[nH]c1=O

STL055383
Synonyms: 2- {4- [2- (methoxycarbonyl)phenoxy]quinazolin- 1- ium- 2- yl}phenolate
Smiles: COC(=O)c1ccccc1Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STL055390
Synonyms: 6- methyl- 2- [(4- methylquinazolin- 2- yl)amino]- 5- pentylpyrimidin- 4- ol
Smiles: CCCCCc1c(C)nc(nc1O)Nc1nc(C)c2c(n1)cccc2

STL055397
Synonyms: N- [(2Z)- 3- [(tetrahydrofuran- 2- ylmethyl)amino]quinoxalin- 2(1H)- ylidene]thiophene- 2- sulfonamide
Smiles: O=S(=O)(c1cccs1)/N=c/1\[nH]c2ccccc2nc1NCC1CCCO1

STL055403
Synonyms: N'- [(Z)- {1- [2- (cyclohex- 1- en- 1- yl)ethyl]- 4,6- dioxo- 2- sulfanyl- 1,6- dihydropyrimidin- 5(4H)- ylidene}methyl]pyridine- 4- carbohydrazide
Smiles: O=C(c1ccncc1)NN/C=C\1/C(=O)N=C(N(C1=O)CCC1=CCCCC1)S

STL055408
Synonyms: 1- {5- [(4- chlorobenzyl)sulfanyl]- 1,3,4- oxadiazol- 2- yl}- 2- (1H- indol- 3- yl)ethanamine
Smiles: Clc1ccc(cc1)CSc1nnc(o1)C(Cc1c[nH]c2c1cccc2)N

STL055409
Synonyms: 7- phenyl- 7H- pyrazolo[4,3- e][1,2,4]triazolo[4,3- c]pyrimidine- 3- thiol
Smiles: Sc1nnc2n1cnc1c2cnn1c1ccccc1

STL055411
Synonyms: 8- (cyclohexylamino)- 6- hydroxy- 7- (2- hydroxyethyl)- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: OCCn1c(NC2CCCCC2)nc2c1c(O)nc(=O)n2C

STL055427
Synonyms: N- [(2E)- 5- (2- methoxyphenyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]tricyclo[3.3.1.1~3,7~]decane- 1- carboxamide
Smiles: COc1ccccc1c1n[nH]/c(=N\C(=O)C23CC4CC(C3)CC(C2)C4)/s1

STL055433
Synonyms: 4,6- dihydroxy- 5- (2- nitrobenzyl)pyrimidin- 2- olate
Smiles: [O-]c1nc(O)c(c(n1)O)Cc1ccccc1[N+](=O)[O-]

STL055437
Synonyms: S- (2- chloro- 5- methoxybenzyl)- L- cysteine
Smiles: COc1cc(CSC[C@@H](C(=O)O)N)c(cc1)Cl

STL055440
Synonyms: (E)- {2- (furan- 2- yl)- 1- [3- (1H- imidazol- 3- ium- 1- yl)propyl]- 4,5- dioxopyrrolidin- 3- ylidene}(2- methyl- 2,3- dihydro- 1- benzofuran- 5- yl)methanolate
Smiles: CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccco1)CCCn1c[nH+]cc1)/[O-]

STL055444
Synonyms: N- [(2Z)- 5- ethyl- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- {4- [2- (4- methylphenoxy)ethyl]piperazin- 1- yl}- 4- oxobutanamide
Smiles: CCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)CCOc2ccc(cc2)C)/s1

STL055453
Synonyms: N- [(2Z)- 5- cyclohexyl- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- oxo- 4- [4- (pyridin- 2- yl)piperazin- 1- yl]butanamide
Smiles: O=C(/N=c\1/[nH]nc(s1)C1CCCCC1)CCC(=O)N1CCN(CC1)c1ccccn1

STL055454
Synonyms: 2- phenyl- 4- (2,3,4- trimethoxyphenyl)- 4,6,7,8- tetrahydro- 2H- pyrazolo[3,4- b]quinoline- 3,5- diol
Smiles: COc1c(ccc(c1OC)OC)C1C2=C(O)CCCC2=Nc2c1c(O)n(n2)c1ccccc1

STL055468
Synonyms:
Smiles: OC(=O)c1cccc(c1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccc2c1nsn2

STL055489
Synonyms: N- [(2Z)- 5- (2- methylpropyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 4- {4- [2- (naphthalen- 1- yloxy)ethyl]piperazin- 1- yl}- 4- oxobutanamide
Smiles: CC(Cc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)CCOc2cccc3c2cccc3)/s1)C

STL055494
Synonyms: 2- methoxy- N- [(2E)- 5- (2- methoxyphenyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]benzamide
Smiles: COc1ccccc1C(=O)/N=c/1\[nH]nc(s1)c1ccccc1OC

STL055501
Synonyms: N- [(4E)- 2- ethyl[1]benzofuro[3,2- d]pyrimidin- 4(3H)- ylidene]- 4- methylaniline
Smiles: CCc1[nH]/c(=N/c2ccc(cc2)C)/c2c(n1)c1ccccc1o2

STL055502
Synonyms: methylN- [(2- methoxybenzyl)carbamoyl]- D- phenylalaninate
Smiles: COC(=O)[C@@H](Cc1ccccc1)NC(=O)NCc1ccccc1OC

STL055511
Synonyms: (5E)- 3- benzyl- 6- hydroxy- 5- (1- {[3- (1H- imidazol- 1- yl)propyl]amino}propylidene)pyrimidine- 2,4(3H,5H)- dione
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)Cc1ccccc1)O)/NCCCn1cncc1

STL055512
Synonyms: N- [(2Z)- 5- (furan- 2- yl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 2- (3- methylphenoxy)acetamide
Smiles: Cc1cccc(c1)OCC(=O)/N=c\1/[nH]nc(s1)c1ccco1

STL055520
Synonyms: N- [N'- (4- chloro- 2,5- dimethoxyphenyl)- N- (4,6- dimethylpyrimidin- 2- yl)carbamimidoyl]- 2- (1,3- dioxooctahydro- 2H- isoindol- 2- yl)- 3- phenylpropanamide
Smiles: COc1cc(Cl)c(cc1/N=C(/Nc1nc(C)cc(n1)C)\NC(=O)C(N1C(=O)C2C(C1=O)CCCC2)Cc1ccccc1)OC

STL055525
Synonyms: 6- methoxy- 3- [5- (pyridin- 4- yl)- 1,2,4- oxadiazol- 3- yl]quinolin- 2(1H)- one
Smiles: COc1ccc2c(c1)cc(c(=O)[nH]2)c1noc(n1)c1ccncc1

STL055531
Synonyms: 4- chloro- N- (4- hydroxy- 6,7- dimethoxyquinazolin- 2- yl)benzamide
Smiles: COc1cc2nc(NC(=O)c3ccc(cc3)Cl)nc(c2cc1OC)O

STL055536
Synonyms: 4- (2- ethoxyphenyl)- 1- (propan- 2- yl)- 4,6- dihydro- 1H- pyrazolo[3,4- e][1,4]thiazepine- 3,7- diol
Smiles: CCOc1ccccc1C1SCC(=Nc2c1c(O)nn2C(C)C)O

STL055557
Synonyms: 2- [2- (4- amino- 1,2,5- oxadiazol- 3- yl)- 1H- benzimidazol- 1- yl]- N'- [(E)- (3- nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(Cn1c(nc2c1cccc2)c1nonc1N)N/N=C/c1cccc(c1)[N+](=O)[O-]

STL055567
Synonyms: (5Z)- 1- benzyl- 5- {1- [(4- methylpiperazin- 4- ium- 1- yl)amino]ethylidene}- 2,6- dioxo- 1,2,5,6- tetrahydropyrimidin- 4- olate
Smiles: C[NH+]1CCN(CC1)N/C(=C\1/C(=NC(=O)N(C1=O)Cc1ccccc1)[O-])/C

STL055568
Synonyms: (4E)- 5- (4- fluorophenyl)- 4- [furan- 2- yl(hydroxy)methylidene]- 1- (5- methyl- 1,3,4- thiadiazol- 2- yl)pyrrolidine- 2,3- dione
Smiles: Fc1ccc(cc1)C1/C(=C(/c2ccco2)\O)/C(=O)C(=O)N1c1nnc(s1)C

STL055571
Synonyms: 2- (1,3- dioxo- 1,3,3a,4,7,7a- hexahydro- 2H- 4,7- methanoisoindol- 2- yl)- 3- (1H- imidazol- 3- ium- 4- yl)propanoate
Smiles: [O-]C(=O)C(N1C(=O)C2C(C1=O)C1CC2C=C1)Cc1c[nH]c[nH+]1

STL055585
Synonyms: N- [4- (benzyloxy)phenyl]- 2- {[5- (4- tert- butylphenyl)- 4- (4- methylphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetamide
Smiles: O=C(Nc1ccc(cc1)OCc1ccccc1)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C(C)(C)C

STL055586
Synonyms: 3- [5- (2- methoxyphenyl)- 1,2,4- oxadiazol- 3- yl]- 6- methylquinolin- 2(1H)- one
Smiles: COc1ccccc1c1onc(n1)c1cc2cc(C)ccc2[nH]c1=O

STL055590
Synonyms: N- [(2Z)- 5- (3,4- dimethoxybenzyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]- 3- methylbutanamide
Smiles: COc1cc(ccc1OC)Cc1n[nH]/c(=N/C(=O)CC(C)C)/s1

STL055596
Synonyms: 1- {5- [(3- fluorobenzyl)sulfanyl]- 1,3,4- oxadiazol- 2- yl}- 3- methylbutan- 1- amine
Smiles: CC(CC(c1nnc(o1)SCc1cccc(c1)F)N)C

STL055605
Synonyms: 2- (4- methoxyphenyl)- 12- phenyl- 12H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 3- ium- 9- olate
Smiles: COc1ccc(cc1)c1[nH+]n2c(n1)c1c(nc2)Oc2c(C1c1ccccc1)ccc(c2)[O-]

STL055608
Synonyms: 1- (3,4- dihydroxyphenyl)- 2- {[5- (2- methoxyphenyl)- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}ethanone
Smiles: C=CCn1c(SCC(=O)c2ccc(c(c2)O)O)nnc1c1ccccc1OC

STL055612
Synonyms: 6- chloro- 3- {[4- (4- fluorophenyl)- 5- (thiophen- 2- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 4- phenylquinolin- 2- ol
Smiles: Fc1ccc(cc1)n1c(nnc1c1cccs1)Sc1c(O)nc2c(c1c1ccccc1)cc(cc2)Cl

STL055632
Synonyms: (1- {[(E)- (5- nitrothiophen- 2- yl)methylidene]amino}- 1H- benzimidazol- 2- yl)methanol
Smiles: OCc1nc2c(n1/N=C/c1ccc(s1)[N+](=O)[O-])cccc2

STL055642
Synonyms: 1- (bicyclo[2.2.1]hept- 5- en- 2- yl)- 1,4- dihydro- 5H- tetrazole- 5- thione
Smiles: C1C(C2CC1C=C2)n1nn[nH]c1=S

STL055646
Synonyms: 2- {(2E)- 2- [1- (4- chlorophenyl)ethylidene]hydrazinyl}- 3- hydroxyquinazolin- 4(3H)- one
Smiles: Clc1ccc(cc1)/C(=N/Nc1nc2ccccc2c(=O)n1O)/C

STL055653
Synonyms: 4- [(2- {2- [(Z)- (1- cyclohexyl- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene)methyl]- 1H- indol- 3- yl}ethyl)amino]- 4- oxobutanoicacid
Smiles: O=C(CCC(=O)O)NCCc1c(/C=C\2/C(=NC(=O)N(C2=O)C2CCCCC2)O)[nH]c2c1cccc2

STL055666
Synonyms: 2- (4- chlorophenyl)- 12- (4- methoxyphenyl)- 12H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 3- ium- 9- olate
Smiles: COc1ccc(cc1)C1c2ccc(cc2Oc2c1c1nc([nH+]n1cn2)c1ccc(cc1)Cl)[O-]

STL055692
Synonyms: 8- {[4- (2- hydroxyethyl)piperazin- 1- ium- 1- yl]methyl}- 4- oxo- 3- phenyl- 4H- chromen- 7- olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1occ(c2=O)c1ccccc1

STL055714
Synonyms: methyl{2- [N'- (2,3- dihydro- 1,4- benzodioxin- 6- yl)carbamimidamido]- 6- hydroxypyrimidin- 4- yl}acetate
Smiles: COC(=O)Cc1nc(NC(=N)Nc2ccc3c(c2)OCCO3)nc(c1)O

STL055722
Synonyms: 2- [4- (4- methylphenoxy)quinazolin- 1- ium- 2- yl]phenolate
Smiles: Cc1ccc(cc1)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STL055730
Synonyms: (4Z)- 6- [(3,5- dimethylpiperidin- 1- yl)methyl]- 4- [(2- methoxyphenyl)imino]- 4,5- dihydro- 1,3,5- triazin- 2- amine
Smiles: COc1ccccc1/N=c/1\nc(N)nc([nH]1)CN1CC(C)CC(C1)C

STL055734
Synonyms: ethyl(4- hydroxy- 3H- 1,5- benzodiazepin- 2- yl)acetate
Smiles: CCOC(=O)CC1=Nc2ccccc2N=C(C1)O

STL055748
Synonyms: ethylN- ({[5- phenyl- 4- (prop- 2- en- 1- yl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}acetyl)glycinate
Smiles: C=CCn1c(SCC(=O)NCC(=O)OCC)nnc1c1ccccc1

STL055751
Synonyms: 2- {[(2E)- 4,6- dimethylquinazolin- 2(1H)- ylidene]amino}- 7- phenyl- 7,8- dihydroquinazolin- 5(6H)- one
Smiles: Cc1ccc2c(c1)c(C)n/c(=N/c1ncc3c(n1)CC(CC3=O)c1ccccc1)/[nH]2

STL055757
Synonyms: 2- [(E)- 2- (3- nitrophenyl)ethenyl]- 1- [3- (trifluoromethyl)phenyl]- 1H- imidazo[4,5- b]quinoxaline
Smiles: [O-][N+](=O)c1cccc(c1)/C=C/c1nc2c(n1c1cccc(c1)C(F)(F)F)nc1c(n2)cccc1

STL055761
Synonyms: (5Z)- 1- (butan- 2- yl)- 5- {[(2,5- dimethoxyphenyl)amino]methylidene}- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: COc1ccc(c(c1)N/C=C\1/C(=O)N=C(N(C1=O)C(CC)C)S)OC

STL055767
Synonyms: 2- {4- [4- (2- methylbutan- 2- yl)phenoxy]quinazolin- 1- ium- 2- yl}phenolate
Smiles: CCC(c1ccc(cc1)Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-])(C)C

STL055780
Synonyms: N- [1- (2,3- dimethoxybenzyl)- 6,6- dimethyl- 2,4- dioxo- 3- (trifluoromethyl)- 2,3,4,5,6,7- hexahydro- 1H- indol- 3- yl]- 3,4,5- trimethoxybenzamide
Smiles: COc1c(cccc1OC)CN1C2=C(C(C1=O)(NC(=O)c1cc(OC)c(c(c1)OC)OC)C(F)(F)F)C(=O)CC(C2)(C)C

STL055791
Synonyms: 2- oxo- N- [(2E)- 6- (piperidin- 1- ylsulfonyl)- 1,3- benzothiazol- 2(3H)- ylidene]- 2H- chromene- 3- carboxamide
Smiles: O=C(c1cc2ccccc2oc1=O)/N=c\1/sc2c([nH]1)ccc(c2)S(=O)(=O)N1CCCCC1

STL055797
Synonyms: N- [(3E)- 7- methyl- 1- (2- methylpropyl)- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]pyridine- 4- carboxamide
Smiles: CC(Cn1[nH]/c(=N/C(=O)c2ccncc2)/c2c1nc1cc(C)ccc1c2)C

STL055802
Synonyms: decyl4- {5- [(1E)- 2- cyano- 3- (decyloxy)- 3- oxoprop- 1- en- 1- yl]furan- 2- yl}benzoate
Smiles: CCCCCCCCCCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C(/C(=O)OCCCCCCCCCC)\C#N

STL055808
Synonyms: N- [7- (4- chlorophenyl)- 5- oxo- 3,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]- 2- phenoxyacetamide
Smiles: O=C(Nc1nn2c(=NC(=O)CC2c2ccc(cc2)Cl)[nH]1)COc1ccccc1

STL055827
Synonyms: 2- [2- (butan- 2- yl)phenoxy]- N- (2,4- dihydroxypyrimidin- 5- yl)acetamide
Smiles: CCC(c1ccccc1OCC(=O)Nc1cnc(nc1O)O)C

STL055840
Synonyms: N- (5- oxo- 7- phenyl- 3,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl)pyridine- 3- carboxamide
Smiles: O=C1N=c2[nH]c(nn2C(C1)c1ccccc1)NC(=O)c1cccnc1

STL055853
Synonyms: methyl2- [(3E)- 3- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 2- (4- methoxyphenyl)- 4,5- dioxopyrrolidin- 1- yl]- 4- methyl- 1,3- thiazole- 5- carboxylate
Smiles: COC(=O)c1sc(nc1C)N1C(c2ccc(cc2)OC)/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C1=O

STL055862
Synonyms: 6,8- dibromo- 3- {[2- (1,2- dihydroacenaphthylen- 5- yl)- 1,3- thiazolidin- 3- yl]carbonyl}- 2H- chromen- 2- one
Smiles: Brc1cc(Br)c2c(c1)cc(c(=O)o2)C(=O)N1CCSC1c1ccc2c3c1cccc3CC2

STL055873
Synonyms: 4- {(E)- [5- iminio- 7- oxo- 2- (pentan- 3- yl)- 5H- [1,3,4]thiadiazolo[3,2- a]pyrimidin- 6(7H)- ylidene]methyl}- 2- methoxyphenolate
Smiles: CCC(c1nn2c(=NC(=O)/C(=C/c3ccc(c(c3)OC)[O-])/C2=[NH2+])s1)CC

STL055877
Synonyms: (2Z)- 2- [(3- chlorophenyl)imino]- 6- (4- methylpiperidin- 1- yl)- 5- nitro- 1,2- dihydropyrimidin- 4- amine
Smiles: CC1CCN(CC1)c1[nH]/c(=N/c2cccc(c2)Cl)/nc(c1[N+](=O)[O-])N

STL055878
Synonyms: 7- hydroxy- 5- methyl[1,2,4]triazolo[1,5- a]pyrimidin- 3- ium- 2- carboxylate
Smiles: Cc1cc(O)n2c(n1)[nH+]c(n2)C(=O)[O-]

STL055880
Synonyms: 3,6- dichloro- N- [(2E)- 4- (4- methoxyphenyl)- 1,3- thiazol- 2(3H)- ylidene]- 1- benzothiophene- 2- carboxamide
Smiles: COc1ccc(cc1)c1cs/c(=N/C(=O)c2sc3c(c2Cl)ccc(c3)Cl)/[nH]1

STL055885
Synonyms: 4- hydroxy- 6,7- dimethoxy- 2- oxo- N- [2- (piperazin- 1- yl)ethyl]- 1,2- dihydroquinoline- 3- carboxamide
Smiles: COc1cc2c(O)c(C(=O)NCCN3CCNCC3)c(=O)[nH]c2cc1OC

STL055889
Synonyms: N- [(4- butylphenyl)carbamoyl]valine
Smiles: CCCCc1ccc(cc1)NC(=O)NC(C(=O)O)C(C)C

STL055890
Synonyms: N- [(2Z)- 3- [(4- methoxybenzyl)amino]quinoxalin- 2(1H)- ylidene]- 3,4- dimethylbenzenesulfonamide
Smiles: COc1ccc(cc1)CNc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1ccc(c(c1)C)C

STL055893
Synonyms: 4- [(E)- {[3- (4- fluorophenyl)- 5- thioxo- 1,5- dihydro- 4H- 1,2,4- triazol- 4- yl]imino}methyl]benzoicacid
Smiles: Fc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C(=O)O

STL055900
Synonyms: 2- [(E)- {2- [(2- methyl- 1H- imidazol- 3- ium- 1- yl)acetyl]hydrazinylidene}methyl]phenolate
Smiles: O=C(Cn1cc[nH+]c1C)N/N=C/c1ccccc1[O-]

STL055910
Synonyms: N- (cyclohexylcarbamoyl)- L- phenylalanine
Smiles: O=C(NC1CCCCC1)N[C@H](C(=O)O)Cc1ccccc1

STL055918
Synonyms: 6- (biphenyl- 4- yl)- 3- (2,4,5,6- tetrahydrocyclopenta[c]pyrazol- 3- yl)- 7H- [1,2,4]triazolo[3,4- b][1,3,4]thiadiazine
Smiles: c1ccc(cc1)c1ccc(cc1)C1=Nn2c(SC1)nnc2c1[nH]nc2c1CCC2

STL055932
Synonyms: 6- methyl- 3- (5- methyl- 1,2,4- oxadiazol- 3- yl)quinolin- 2(1H)- one
Smiles: Cc1onc(n1)c1cc2cc(C)ccc2[nH]c1=O

STL055936
Synonyms: 7,8- dihydro- 6H- 5,8- ethanopyrido[3,2- d]pyrimidin- 4- ol
Smiles: Oc1ncnc2c1N1CCC2CC1

STL055941
Synonyms: (5E)- 2,6- dihydroxy- 5- (1- {[4- (propan- 2- yl)phenyl]amino}ethylidene)pyrimidin- 4(5H)- one
Smiles: OC1=NC(=O)/C(=C(/Nc2ccc(cc2)C(C)C)\C)/C(=N1)O

STL055949
Synonyms: 9- (4- ethylphenyl)- 4- hydroxy- 1,7- dimethyl- 6,7,8,9- tetrahydropyrimido[2,1- f]purin- 2(1H)- one
Smiles: CCc1ccc(cc1)N1CC(C)Cn2c1nc1c2c(O)nc(=O)n1C

STL055957
Synonyms: 1- (2- {[4- (ethoxycarbonyl)phenyl]amino}- 2- oxoethyl)- 3- (4- methoxyphenyl)- 1,5,6,7- tetrahydropyrrolo[1,2- a]imidazol- 4- ium
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)Cn1cc([n+]2c1CCC2)c1ccc(cc1)OC

STL055958
Synonyms: 6- hydroxy- 8- [4- (2- hydroxyethyl)piperazin- 1- yl]- 3- methyl- 7- [2- (pyrimidin- 2- ylsulfanyl)ethyl]- 3,7- dihydro- 2H- purin- 2- one
Smiles: OCCN1CCN(CC1)c1nc2c(n1CCSc1ncccn1)c(O)nc(=O)n2C

STL055960
Synonyms: 1- {5- [(2,5- dimethylbenzyl)sulfanyl]- 1,3,4- oxadiazol- 2- yl}- 2- methylpropan- 1- amine
Smiles: CC(C(c1nnc(o1)SCc1cc(C)ccc1C)N)C

STL055961
Synonyms: 5- (5- methyl- 1H- pyrazol- 3- yl)- 4- {[(E)- (3- methylthiophen- 2- yl)methylidene]amino}- 4H- 1,2,4- triazole- 3- thiol
Smiles: Cc1[nH]nc(c1)c1nnc(n1/N=C/c1sccc1C)S

STL055969
Synonyms: 7'- nitro- 2,6- dioxo- 1,1',2',3',3a',6- hexahydro- 2H,5'H- spiro[pyrimidine- 5,4'- pyrrolo[1,2- a]quinolinium]- 4- olate
Smiles: O=C1NC(=O)C2(C(=N1)[O-])Cc1cc(ccc1[NH+]1C2CCC1)[N+](=O)[O-]

STL055972
Synonyms: N- [(4- acetylphenyl)carbamoyl]phenylalanine
Smiles: O=C(NC(C(=O)O)Cc1ccccc1)Nc1ccc(cc1)C(=O)C

STL055973
Synonyms: 2- methylpropyl[(2E)- 5- (2- methoxyphenyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]carbamate
Smiles: COc1ccccc1c1n[nH]/c(=N\C(=O)OCC(C)C)/s1

STL055978
Synonyms: 6- chloro- 3- ethyl- 4- methyl- 8- [(3- methylpiperidinium- 1- yl)methyl]- 2- oxo- 2H- chromen- 7- olate
Smiles: CCc1c(=O)oc2c(c1C)cc(c(c2C[NH+]1CCCC(C1)C)[O-])Cl

STL055991
Synonyms: 2- amino- 3- methyl- N'- [(E)- quinolin- 8- ylmethylidene]butanehydrazide(non- preferredname)
Smiles: CC(C(C(=O)N/N=C/c1cccc2c1nccc2)N)C

STL055993
Synonyms: 6- chloro- 3- {[4- (3- ethoxypropyl)- 5- (4- methoxyphenyl)- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 4- phenylquinolin- 2- ol
Smiles: CCOCCCn1c(nnc1c1ccc(cc1)OC)Sc1c(O)nc2c(c1c1ccccc1)cc(cc2)Cl

STL056002
Synonyms: 12- phenyl- 2- (pyridin- 4- yl)- 12H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 3- ium- 9- olate
Smiles: [O-]c1ccc2c(c1)Oc1c(C2c2ccccc2)c2nc([nH+]n2cn1)c1ccncc1

STL056008
Synonyms: N- [7- (4- chlorophenyl)- 5- oxo- 3,5,6,7- tetrahydro[1,2,4]triazolo[1,5- a]pyrimidin- 2- yl]butanamide
Smiles: CCCC(=O)Nc1[nH]c2=NC(=O)CC(n2n1)c1ccc(cc1)Cl

STL056014
Synonyms: N- (3- chloro- 4- fluorophenyl)- 6- hydroxy- 2- (piperidin- 1- yl)- 4,5- dihydropyrimidine- 4- carboxamide
Smiles: O=C(C1CC(=NC(=N1)N1CCCCC1)O)Nc1ccc(c(c1)Cl)F

STL056016
Synonyms: 3- [(Z)- 2- hydroxy- 2- (2,4,6- trimethylphenyl)ethenyl]- 2H- 1,4- benzoxazin- 2- one
Smiles: Cc1cc(C)c(c(c1)C)/C(=C/c1nc2ccccc2oc1=O)/O

STL056017
Synonyms: 4- [4- (4,6- dimethylpyrimidin- 2- yl)piperazin- 1- yl]- 4- oxo- N- [(2Z)- 5- (propan- 2- yl)- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: O=C(/N=c\1/[nH]nc(s1)C(C)C)CCC(=O)N1CCN(CC1)c1nc(C)cc(n1)C

STL056028
Synonyms: 2- [4- (2- fluorophenoxy)quinazolin- 1- ium- 2- yl]phenolate
Smiles: Fc1ccccc1Oc1nc([nH+]c2c1cccc2)c1ccccc1[O-]

STL056034
Synonyms: N'- [(1Z)- 1- (4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene)propyl]heptanehydrazide
Smiles: CCCCCCC(=O)NN/C(=C/1\C(=O)NC(=O)N=C1O)/CC

STL056044
Synonyms: N- [(3Z)- 1- ethyl- 6- methyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]pyridine- 4- carboxamide
Smiles: CCn1[nH]/c(=N\C(=O)c2ccncc2)/c2c1nc1ccc(cc1c2)C

STL056046
Synonyms: 6- (4- methylphenyl)- 3- (2,4,5,6- tetrahydrocyclopenta[c]pyrazol- 3- yl)[1,2,4]triazolo[3,4- b][1,3,4]thiadiazole
Smiles: Cc1ccc(cc1)c1nn2c(s1)nnc2c1[nH]nc2c1CCC2

STL056057
Synonyms: 2- [(E)- {[3- (4- fluorophenyl)- 5- thioxo- 1,5- dihydro- 4H- 1,2,4- triazol- 4- yl]imino}methyl]benzoicacid
Smiles: Fc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccccc1C(=O)O

STL056064
Synonyms: methylN- {[3- (trifluoromethyl)phenyl]carbamoyl}- L- valinate
Smiles: COC(=O)[C@H](C(C)C)NC(=O)Nc1cccc(c1)C(F)(F)F

STL056065
Synonyms: (E)- {1'- [2- (dimethylammonio)ethyl]- 2,4',5'- trioxo- 1- propyl- 1,2- dihydro- 3'H- spiro[indole- 3,2'- pyrrolidin]- 3'- ylidene}(5- methylfuran- 2- yl)methanolate
Smiles: CCCN1c2ccccc2C2(C1=O)N(CC[NH+](C)C)C(=O)C(=O)/C/2=C(\c1ccc(o1)C)/[O-]

STL056066
Synonyms: 6- (1H- benzimidazol- 2- yl)- 3- nitro- 5,6,6a,7,8,9,10,11- octahydroazepino[1,2- a]quinoline- 6- carbonitrile
Smiles: N#CC1(Cc2cc(ccc2N2C1CCCCC2)[N+](=O)[O-])c1nc2c([nH]1)cccc2

STL056074
Synonyms: (5Z)- 1- [2- (cyclohex- 1- en- 1- yl)ethyl]- 2,6- dioxo- 5- [(piperidinium- 1- ylamino)methylidene]- 1,2,5,6- tetrahydropyrimidin- 4- olate
Smiles: O=C1N=C([O-])/C(=C/N[NH+]2CCCCC2)/C(=O)N1CCC1=CCCCC1

STL056089
Synonyms: 2,5- dimethoxy- N- [(4Z)- 2- methyl[1]benzofuro[3,2- d]pyrimidin- 4(3H)- ylidene]aniline
Smiles: COc1ccc(c(c1)/N=c/1\[nH]c(C)nc2c1oc1c2cccc1)OC

STL056090
Synonyms: tert- butyl[1- {(2E)- 2- [(2,4- dihydroxy- 6- methylpyrimidin- 5- yl)methylidene]hydrazinyl}- 4- (methylsulfanyl)- 1- oxobutan- 2- yl]carbamate(non- preferredname)
Smiles: CSCCC(C(=O)N/N=C/c1c(C)nc(nc1O)O)NC(=O)OC(C)(C)C

STL056096
Synonyms: 1- (2,5- dimethoxyphenyl)- 2- hydroxy- 1',6'- dimethyl- 1',4'- dihydro- 2'H,4H- spiro[pyrimidine- 5,3'- quinoline]- 4,6(1H)- dione
Smiles: COc1ccc(cc1N1C(=NC(=O)C2(C1=O)CN(C)c1c(C2)cc(cc1)C)O)OC

STL056108
Synonyms: N- [(2E)- 6- (morpholin- 4- ylsulfonyl)- 1,3- benzothiazol- 2(3H)- ylidene]quinoline- 2- carboxamide
Smiles: O=C(c1ccc2c(n1)cccc2)/N=c\1/sc2c([nH]1)ccc(c2)S(=O)(=O)N1CCOCC1

STL056117
Synonyms: 3- (3,4- dichlorophenyl)- 1- [2- (4- fluorophenyl)- 2- oxoethyl]- 1,5,6,7- tetrahydropyrrolo[1,2- a]imidazol- 4- ium
Smiles: Fc1ccc(cc1)C(=O)Cn1cc([n+]2c1CCC2)c1ccc(c(c1)Cl)Cl

STL056118
Synonyms: butyl[(2E)- 5- [(E)- 2- (4- methoxyphenyl)ethenyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]carbamate
Smiles: CCCCOC(=O)/N=c/1\[nH]nc(s1)/C=C/c1ccc(cc1)OC

STL056120
Synonyms: (2Z)- 2- [(2,4- dichlorophenyl)imino]- 7- (4- methoxyphenyl)- 2,6,7,8- tetrahydroquinazolin- 5(1H)- one
Smiles: COc1ccc(cc1)C1CC(=O)c2c(C1)[nH]/c(=N/c1ccc(cc1Cl)Cl)/nc2

STL056126
Synonyms: (1E)- 1- benzylidene- 2- (1,1- dioxidotetrahydrothiophen- 3- yl)hydrazine
Smiles: O=S1(=O)CCC(C1)N/N=C/c1ccccc1

STL056129
Synonyms: tert- butyl[(2S)- 1- {(2E)- 2- [(2,4- dihydroxy- 6- methylpyrimidin- 5- yl)methylidene]hydrazinyl}- 1- oxo- 3- phenylpropan- 2- yl]carbamate(non- preferredname)
Smiles: O=C(OC(C)(C)C)N[C@H](C(=O)N/N=C/c1c(C)nc(nc1O)O)Cc1ccccc1

STL056133
Synonyms: 3- chloro- N- [(4E)- 2- methyl[1]benzofuro[3,2- d]pyrimidin- 4(3H)- ylidene]aniline
Smiles: Clc1cccc(c1)/N=c\1/[nH]c(C)nc2c1oc1c2cccc1

STL056143
Synonyms: 3- [(2E)- 3- (4- carboxyphenyl)triaz- 2- en- 1- yl]- 5- nitrobenzoicacid
Smiles: [O-][N+](=O)c1cc(N/N=N/c2ccc(cc2)C(=O)O)cc(c1)C(=O)O

STL056148
Synonyms: [(4- bromophenyl)sulfonyl][3- (1- heptyl- 1H- 3,1- benzimidazol- 3- ium- 3- yl)quinoxalin- 2- yl]azanide
Smiles: CCCCCCCn1c[n+](c2c1cccc2)c1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(cc1)Br

STL056149
Synonyms: 1- methyl- 5- (1- methyl- 1H- benzimidazol- 3- ium- 2- yl)- 1H- pyrrole- 3- sulfonate
Smiles: Cn1c([nH+]c2c1cccc2)c1cc(cn1C)S(=O)(=O)[O-]

STL056164
Synonyms: 2,2- dimethyl- N- [(2- oxo- 1,2- dihydroquinolin- 3- yl)methyl]- N- (propan- 2- yl)propanamide
Smiles: CC(N(C(=O)C(C)(C)C)Cc1cc2ccccc2[nH]c1=O)C

STL056167
Synonyms: N- [(2Z)- 5- [2- (morpholin- 4- yl)ethyl]- 1,3,4- thiadiazol- 2(3H)- ylidene]cyclohexanecarboxamide
Smiles: O=C(C1CCCCC1)/N=c\1/[nH]nc(s1)CCN1CCOCC1

STL056169
Synonyms: (2E)- 3- (2- methoxyphenyl)- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: COc1ccccc1/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C

STL056170
Synonyms: (5Z)- 3- (2,4- dimethylphenyl)- 5- {[(2- ethyl- 6- methylphenyl)amino]methylidene}- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CCc1cccc(c1N/C=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1C)C)O)C

STL056179
Synonyms: 6- hydroxy- 3- methyl- 7- propyl- 8- [(2E)- 2- (pyridin- 3- ylmethylidene)hydrazinyl]- 3,7- dihydro- 2H- purin- 2- one
Smiles: CCCn1c(N/N=C/c2cccnc2)nc2c1c(O)nc(=O)n2C

STL056182
Synonyms: 5- {[(E)- (2,4- dimethoxyphenyl)methylidene]amino}pyrimidine- 2,4- diol
Smiles: COc1cc(OC)ccc1/C=N/c1cnc(nc1O)O

STL056184
Synonyms: 1- (2,4- dichlorobenzyl)- 3,7- dimethyl- 8- (pyrrolidin- 1- yl)- 3,7- dihydro- 1H- purine- 2,6- dione
Smiles: Clc1ccc(c(c1)Cl)Cn1c(=O)c2n(C)c(nc2n(c1=O)C)N1CCCC1

STL056187
Synonyms: 6- (benzylsulfanyl)- 9H- purin- 2- amine
Smiles: Nc1nc(SCc2ccccc2)c2c(n1)[nH]cn2

STL056197
Synonyms: 4- hydroxy- 7- (3- methoxyphenyl)- 1- (2- methylpropyl)- 5,5- bis(trifluoromethyl)- 5,8- dihydropyrimido[4,5- d]pyrimidin- 2(1H)- one
Smiles: COc1cccc(c1)C1=NC(c2c(N1)n(CC(C)C)c(=O)nc2O)(C(F)(F)F)C(F)(F)F

STL056205
Synonyms: 1- (2- {[3- (ethoxycarbonyl)- 3a,4,5,6,7,7a- hexahydro- 1- benzothiophen- 2- yl]amino}- 2- oxoethyl)- 3- phenyl- 1,5,6,7- tetrahydropyrrolo[1,2- a]imidazol- 4- ium
Smiles: CCOC(=O)C1=C(NC(=O)Cn2cc([n+]3c2CCC3)c2ccccc2)SC2C1CCCC2

STL056220
Synonyms: 2- hydroxy- N'- {(1Z)- 1- [4- hydroxy- 2,6- dioxo- 1- (prop- 2- en- 1- yl)- 1,6- dihydropyrimidin- 5(2H)- ylidene]propyl}benzohydrazide
Smiles: C=CCN1C(=O)N=C(/C(=C(/NNC(=O)c2ccccc2O)\CC)/C1=O)O

STL056227
Synonyms: N- [(2E)- 6- (morpholin- 4- ylsulfonyl)- 1,3- benzothiazol- 2(3H)- ylidene]pyridine- 4- carboxamide
Smiles: O=C(c1ccncc1)/N=c\1/sc2c([nH]1)ccc(c2)S(=O)(=O)N1CCOCC1

STL056231
Synonyms: 1- butyl- 3- (5- hydroxy- 3- methyl- 1- phenyl- 1H- pyrazol- 4- yl)- 6,6- dimethyl- 3- (trifluoromethyl)- 3,5,6,7- tetrahydro- 1H- indole- 2,4- dione
Smiles: CCCCN1C2=C(C(C1=O)(c1c(C)nn(c1O)c1ccccc1)C(F)(F)F)C(=O)CC(C2)(C)C

STL056234
Synonyms: (5Z)- 5- {1- [(1,3- benzodioxol- 5- ylmethyl)amino]ethylidene}- 2,6- dihydroxypyrimidin- 4(5H)- one
Smiles: OC1=NC(=O)/C(=C(\NCc2ccc3c(c2)OCO3)/C)/C(=N1)O

STL056242
Synonyms: 3- {[(3Z)- 3- {[(4- methoxyphenyl)sulfonyl]imino}- 3,4- dihydroquinoxalin- 2- yl]amino}benzoicacid
Smiles: COc1ccc(cc1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1cccc(c1)C(=O)O

STL056247
Synonyms: 1- (2,2- dimethyltetrahydro- 2H- pyran- 4- yl)- 4- (2- methoxyphenyl)- 4,6- dihydro- 1H- pyrazolo[3,4- e][1,4]thiazepine- 3,7- diol
Smiles: COc1ccccc1C1SCC(=Nc2c1c(O)nn2C1CCOC(C1)(C)C)O

STL056248
Synonyms: 6- hydroxy- 1,3- dimethyl- 5- {(1E)- N- [4- (propan- 2- yl)phenyl]ethanimidoyl}pyrimidine- 2,4(1H,3H)- dione
Smiles: CC(c1ccc(cc1)/N=C(/c1c(O)n(C)c(=O)n(c1=O)C)\C)C

STL056251
Synonyms: ethyl4- {[(1E)- 1- (2,6- dihydroxy- 4- oxopyrimidin- 5(4H)- ylidene)propyl]amino}benzoate
Smiles: CCOC(=O)c1ccc(cc1)N/C(=C/1\C(=NC(=NC1=O)O)O)/CC

STL056279
Synonyms: N- [(2Z)- 3- [(3,4- dimethylphenyl)amino]quinoxalin- 2(1H)- ylidene]thiophene- 2- sulfonamide
Smiles: Cc1ccc(cc1C)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cccs1

STL056289
Synonyms: (5E)- 3- cycloheptyl- 6- hydroxy- 5- {[(tetrahydrofuran- 2- ylmethyl)amino]methylidene}pyrimidine- 2,4(3H,5H)- dione
Smiles: OC1=NC(=O)N(C(=O)/C/1=C/NCC1CCCO1)C1CCCCCC1

STL056291
Synonyms: 2- (9- propyl- 8,9,10,11- tetrahydropyrido[4',3':4,5]thieno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 1- ium- 2- yl)naphthalen- 1- olate
Smiles: CCCN1CCc2c(C1)sc1c2c2[nH+]c(nn2cn1)c1ccc2c(c1[O-])cccc2

STL056295
Synonyms: 2- [({1- [2- (diethylammonio)ethyl]- 1H- benzimidazol- 2- yl}amino)methyl]phenolate
Smiles: CC[NH+](CCn1c(NCc2ccccc2[O-])nc2c1cccc2)CC

STL056296
Synonyms: 4- {[(E)- (4- hydroxy- 3,5- dimethoxyphenyl)methylidene]amino}- 5- (2,4,5,6- tetrahydrocyclopenta[c]pyrazol- 3- yl)- 2,4- dihydro- 3H- 1,2,4- triazole- 3- thione
Smiles: COc1cc(/C=N/n2c(=S)[nH]nc2c2[nH]nc3c2CCC3)cc(c1O)OC

STL056298
Synonyms: (4E)- 5- (4- hydroxy- 3- methoxyphenyl)- 4- [hydroxy(phenyl)methylidene]- 1- (5- methyl- 1,2- oxazol- 3- yl)pyrrolidine- 2,3- dione
Smiles: COc1cc(ccc1O)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1noc(c1)C

STL056299
Synonyms: [4- (4- fluorophenyl)- 1H- imidazol- 3- ium- 1- yl]acetate
Smiles: [O-]C(=O)Cn1c[nH+]c(c1)c1ccc(cc1)F

STL056312
Synonyms: N- [(2Z)- 4,6- dimethylpyrimidin- 2(1H)- ylidene]- 2- methoxyaniline
Smiles: COc1ccccc1/N=c/1\nc(C)cc([nH]1)C

STL056318
Synonyms: (2Z)- 3- {2- [(4- carboxybenzyl)oxy]phenyl}- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: [O-]C(=O)/C(=C/c1ccccc1OCc1ccc(cc1)C(=O)O)/Sc1[nH]nc([nH+]1)C

STL056319
Synonyms: N- [(3E)- 7- methyl- 1- (2- methylpropyl)- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]furan- 2- carboxamide
Smiles: CC(Cn1[nH]/c(=N/C(=O)c2ccco2)/c2c1nc1cc(C)ccc1c2)C

STL056328
Synonyms: 3- [(propylsulfonyl)amino]- 1H- indole- 2- carboxylicacid
Smiles: CCCS(=O)(=O)Nc1c([nH]c2c1cccc2)C(=O)O

STL056333
Synonyms: 5- hydroxy- 4- (3- methylphenyl)indeno[1,2- d][1,3]thiazin- 2(4H)- one
Smiles: Cc1cccc(c1)C1SC(=O)N=C2C1=C(O)c1c2cccc1

STL056336
Synonyms: 3- cycloheptyl- 6- hydroxy- 1',6'- dimethyl- 1',4'- dihydro- 2H,2'H- spiro[pyrimidine- 5,3'- quinoline]- 2,4(3H)- dione
Smiles: Cc1ccc2c(c1)CC1(CN2C)C(=NC(=O)N(C1=O)C1CCCCCC1)O

STL056347
Synonyms: 3- (4- chlorophenyl)- 5- [2- chloro- 5- (trifluoromethyl)phenyl]- 3aH- pyrrolo[3,4- d][1,2]oxazole- 4,6(5H,6aH)- dione
Smiles: Clc1ccc(cc1)C1=NOC2C1C(=O)N(C2=O)c1cc(ccc1Cl)C(F)(F)F

STL056349
Synonyms: 3- {[(1E)- 1- (1- butyl- 4- hydroxy- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene)ethyl]amino}benzoicacid
Smiles: CCCCN1C(=O)N=C(/C(=C(\Nc2cccc(c2)C(=O)O)/C)/C1=O)O

STL056360
Synonyms: 5- [4- (benzyloxy)benzyl]- 1,3- dimethyl- 2,6- dioxo- 1,2,3,6- tetrahydropyrimidin- 4- olate
Smiles: [O-]c1c(Cc2ccc(cc2)OCc2ccccc2)c(=O)n(c(=O)n1C)C

STL056377
Synonyms: N- {[4- (trifluoromethoxy)phenyl]carbamoyl}alanine
Smiles: CC(C(=O)O)NC(=O)Nc1ccc(cc1)OC(F)(F)F

STL056380
Synonyms: 12- (4- methoxyphenyl)- 2- phenyl- 12H- chromeno[3,2- e][1,2,4]triazolo[1,5- c]pyrimidin- 3- ium- 9- olate
Smiles: COc1ccc(cc1)C1c2ccc(cc2Oc2c1c1nc([nH+]n1cn2)c1ccccc1)[O-]

STL056385
Synonyms: (2Z)- 3- (3- methoxy- 4- methylphenyl)- 2- [(3- methyl- 1H- 1,2,4- triazol- 4- ium- 5- yl)sulfanyl]prop- 2- enoate
Smiles: COc1cc(ccc1C)/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C

STL056398
Synonyms: [4- (2- ethyl[1]benzofuro[3,2- d]pyrimidin- 4- yl)piperazin- 1- yl](furan- 2- yl)methanone
Smiles: CCc1nc(N2CCN(CC2)C(=O)c2ccco2)c2c(n1)c1ccccc1o2

STL056402
Synonyms: N- (2,4- dimethylphenyl)- N- [(2- oxo- 1,2- dihydroquinolin- 4- yl)methyl]acetamide
Smiles: Cc1ccc(c(c1)C)N(C(=O)C)Cc1cc(=O)[nH]c2c1cccc2

STL056404
Synonyms: 2- {[5- (2- chlorophenyl)- 4- phenyl- 4H- 1,2,4- triazol- 3- yl]sulfanyl}- 1- (3,4- dihydroxyphenyl)ethanone
Smiles: O=C(c1ccc(c(c1)O)O)CSc1nnc(n1c1ccccc1)c1ccccc1Cl

STL056405
Synonyms: 6- amino- 2- {[(2E)- 3- phenylprop- 2- en- 1- yl]sulfanyl}pyrimidin- 4- ol
Smiles: Nc1nc(SC/C=C/c2ccccc2)nc(c1)O

STL056406
Synonyms: N- (dipropylcarbamoyl)phenylalanine
Smiles: CCCN(C(=O)NC(C(=O)O)Cc1ccccc1)CCC

STL056412
Synonyms: 8- [(2Z)- 2- (2,6- dihydroxy- 4- oxopyrimidin- 5(4H)- ylidene)hydrazinyl]- 6- hydroxy- 7- (2- hydroxyethyl)- 3- methyl- 3,7- dihydro- 2H- purin- 2- one
Smiles: OCCn1c(N/N=C\2/C(=NC(=NC2=O)O)O)nc2c1c(O)nc(=O)n2C

STL056413
Synonyms: 2- [(6- bromo- 5- methyl- 3H- imidazo[4,5- b]pyridin- 2- yl)sulfanyl]- N- {4- [(2,6- dimethylpyrimidin- 4- yl)sulfamoyl]phenyl}acetamide
Smiles: O=C(Nc1ccc(cc1)S(=O)(=O)Nc1cc(C)nc(n1)C)CSc1[nH]c2c(n1)cc(c(n2)C)Br

STL056417
Synonyms: methylN- (1,2,3,4- tetrahydronaphthalen- 1- ylcarbamoyl)methioninate
Smiles: CSCCC(C(=O)OC)NC(=O)NC1CCCc2c1cccc2

STL056424
Synonyms: N- [(3Z)- 1- ethyl- 8- methyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]- 3- methylbutanamide
Smiles: CCn1[nH]/c(=N\C(=O)CC(C)C)/c2c1nc1c(C)cccc1c2

STL056455
Synonyms: 2- methoxy- 4- {(E)- [2- ({4- [(5- methyl- 3- nitro- 1H- pyrazol- 1- yl)methyl]phenyl}carbonyl)hydrazinylidene]methyl}phenylacetate
Smiles: COc1cc(/C=N/NC(=O)c2ccc(cc2)Cn2nc(cc2C)[N+](=O)[O-])ccc1OC(=O)C

STL056456
Synonyms: 5- (5- phenyl- 1H- pyrazol- 3- yl)- 4- {[(E)- (2,4,6- trimethoxyphenyl)methylidene]amino}- 4H- 1,2,4- triazole- 3- thiol
Smiles: COc1cc(OC)c(c(c1)OC)/C=N/n1c(S)nnc1c1n[nH]c(c1)c1ccccc1

STL056457
Synonyms: methylN- [(2,4- dimethylphenyl)carbamoyl]leucinate
Smiles: COC(=O)C(NC(=O)Nc1ccc(cc1C)C)CC(C)C

STL056469
Synonyms: N- [1- (4- chlorophenyl)- 4- hydroxy- 2,6- dioxo- 5- (trifluoromethyl)- 2,5,6,7- tetrahydro- 1H- pyrrolo[2,3- d]pyrimidin- 5- yl]furan- 2- carboxamide
Smiles: Clc1ccc(cc1)n1c(=O)nc(c2c1NC(=O)C2(NC(=O)c1ccco1)C(F)(F)F)O

STL056470
Synonyms: methyl2- {(3E)- 2- (3- bromo- 4- hydroxy- 5- methoxyphenyl)- 3- [2,3- dihydro- 1,4- benzodioxin- 6- yl(hydroxy)methylidene]- 4,5- dioxopyrrolidin- 1- yl}- 4- methyl- 1,3- thiazole- 5- carboxylate
Smiles: COC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1cc(Br)c(c(c1)OC)O

STL056481
Synonyms: (5E)- 5- {1- [(1- benzylpiperidinium- 4- yl)amino]propylidene}- 2,6- dioxo- 1- (prop- 2- en- 1- yl)- 1,2,5,6- tetrahydropyrimidin- 4- olate
Smiles: C=CCN1C(=O)N=C(/C(=C(\NC2CC[NH+](CC2)Cc2ccccc2)/CC)/C1=O)[O-]

STL056488
Synonyms: 2- [(2- methylquinolin- 8- yl)amino]- 4H- pyrido[3,2- e][1,3]thiazin- 4- one
Smiles: Cc1ccc2c(n1)c(ccc2)Nc1nc(=O)c2c(s1)nccc2

STL056493
Synonyms: N- [(3Z)- 1,6- dimethyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]propanamide
Smiles: CCC(=O)/N=c/1\[nH]n(c2c1cc1cc(C)ccc1n2)C

STL056506
Synonyms: [3- methyl- 1- (2- methylphenyl)- 1H- thieno[2,3- c]pyrazol- 5- yl][4- (4- nitrophenyl)piperazin- 1- yl]methanone
Smiles: O=C(c1cc2c(s1)n(nc2C)c1ccccc1C)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]

STL056509
Synonyms: (5Z)- 3- (2,5- dimethylphenyl)- 5- [(1- ethyl- 1H- indol- 3- yl)methylidene]- 6- hydroxypyrimidine- 2,4(3H,5H)- dione
Smiles: CCn1cc(c2c1cccc2)/C=C\1/C(=NC(=O)N(C1=O)c1cc(C)ccc1C)O

STL056514
Synonyms: (5Z)- 5- {[1- (4- chlorophenyl)- 2,5- dimethyl- 1H- pyrrol- 3- yl]methylidene}- 1- ethyl- 2- sulfanylpyrimidine- 4,6(1H,5H)- dione
Smiles: CCN1C(=NC(=O)/C(=C/c2cc(n(c2C)c2ccc(cc2)Cl)C)/C1=O)S

STL056522
Synonyms: (5E)- 1- [2- (3,4- dimethoxyphenyl)ethyl]- 5- [(morpholin- 4- ium- 4- ylamino)methylidene]- 2,6- dioxo- 1,2,5,6- tetrahydropyrimidin- 4- olate
Smiles: COc1ccc(cc1OC)CCN1C(=O)N=C(/C(=C\N[NH+]2CCOCC2)/C1=O)[O-]

STL056525
Synonyms: (5E)- 3- butyl- 6- hydroxy- 5- [1- (2- phenylhydrazinyl)ethylidene]pyrimidine- 2,4(3H,5H)- dione
Smiles: CCCCN1C(=O)N=C(/C(=C(\NNc2ccccc2)/C)/C1=O)O

STL056526
Synonyms: (5E)- 5- {[(4- {[2- (diethylammonio)ethoxy]carbonyl}phenyl)amino]methylidene}- 1- (4- methylphenyl)- 4,6- dioxo- 1,4,5,6- tetrahydropyrimidine- 2- thiolate
Smiles: CC[NH+](CCOC(=O)c1ccc(cc1)N/C=C/1\C(=O)N=C(N(C1=O)c1ccc(cc1)C)[S-])CC

STL056528
Synonyms: 1- [2- (2- chlorophenyl)- 2- oxoethyl]- 3- phenyl- 1,5,6,7- tetrahydropyrrolo[1,2- a]imidazol- 4- ium
Smiles: O=C(c1ccccc1Cl)Cn1cc([n+]2c1CCC2)c1ccccc1

STL056530
Synonyms: 3- (4- fluorophenyl)- 1- (2- phenylethyl)- 1,5,6,7- tetrahydropyrrolo[1,2- a]imidazol- 4- ium
Smiles: Fc1ccc(cc1)c1cn(c2[n+]1CCC2)CCc1ccccc1

STL056531
Synonyms: N- [(2Z)- 3- [(4- fluorophenyl)amino]quinoxalin- 2(1H)- ylidene]- 2,5- dimethylbenzenesulfonamide
Smiles: Fc1ccc(cc1)Nc1nc2ccccc2[nH]/c/1=N\S(=O)(=O)c1cc(C)ccc1C

STL056534
Synonyms: 4- [(4- chlorophenyl)amino]- 4- oxo- 3- [(pyridin- 3- ylmethyl)ammonio]butanoate
Smiles: [O-]C(=O)CC(C(=O)Nc1ccc(cc1)Cl)[NH2+]Cc1cccnc1

STL056552
Synonyms: 6- amino- 2- [(2,6- dichlorobenzyl)sulfanyl]pyrimidin- 4- ol
Smiles: Nc1nc(SCc2c(Cl)cccc2Cl)nc(c1)O

STL056558
Synonyms: N'- [(E)- (2- hydroxyphenyl)methylidene]- 2- [(2- methyl- 4- oxoquinazolin- 3(4H)- yl)oxy]acetohydrazide
Smiles: O=C(COn1c(C)nc2c(c1=O)cccc2)N/N=C/c1ccccc1O

STL056560
Synonyms: 7- methyl- 3- (5- methyl- 1,2,4- oxadiazol- 3- yl)quinolin- 2(1H)- one
Smiles: Cc1onc(n1)c1cc2ccc(cc2[nH]c1=O)C

STL056561
Synonyms: N,2- dimethyl[1]benzofuro[3,2- d]pyrimidin- 4- amine
Smiles: CNc1nc(C)nc2c1oc1c2cccc1

STL056563
Synonyms: 3- [(dibenzylamino)methyl]- 5- (tricyclo[3.3.1.1~3,7~]dec- 1- yl)benzene- 1,2- diol
Smiles: Oc1cc(cc(c1O)CN(Cc1ccccc1)Cc1ccccc1)C12CC3CC(C2)CC(C1)C3

STL056564
Synonyms: N- [(4- sulfamoylphenyl)carbamoyl]leucine
Smiles: CC(CC(C(=O)O)NC(=O)Nc1ccc(cc1)S(=O)(=O)N)C

STL056572
Synonyms: methyl2- {(3E)- 2- (4- hydroxy- 3- methoxyphenyl)- 3- [hydroxy(3- methoxyphenyl)methylidene]- 4,5- dioxopyrrolidin- 1- yl}- 4- methyl- 1,3- thiazole- 5- carboxylate
Smiles: COc1cccc(c1)/C(=C\1/C(c2ccc(c(c2)OC)O)N(C(=O)C1=O)c1sc(c(n1)C)C(=O)OC)/O

STL056574
Synonyms: N- [(3Z)- 1,7- dimethyl- 1,2- dihydro- 3H- pyrazolo[3,4- b]quinolin- 3- ylidene]pyridine- 3- carboxamide
Smiles: Cc1ccc2c(c1)nc1c(c2)/c(=N/C(=O)c2cccnc2)/[nH]n1C

STL056577
Synonyms: 4- {4- [(3- nitrophenyl)sulfonyl]piperazin- 1- yl}- 4- oxo- N- [(2Z)- 5- propyl- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: CCCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)c2cccc(c2)[N+](=O)[O-])/s1

STL056580
Synonyms: 3- {[(3Z)- 3- {[(3- chlorophenyl)sulfonyl]imino}- 3,4- dihydroquinoxalin- 2- yl]amino}benzoicacid
Smiles: Clc1cccc(c1)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1cccc(c1)C(=O)O

STL056583
Synonyms: 1- {2- [(3- acetylphenyl)amino]- 2- oxoethyl}- 3- phenyl- 1,5,6,7- tetrahydropyrrolo[1,2- a]imidazol- 4- ium
Smiles: O=C(Cn1cc([n+]2c1CCC2)c1ccccc1)Nc1cccc(c1)C(=O)C

STL056588
Synonyms: 3- (benzylammonio)- 4- [(4- chlorophenyl)amino]- 4- oxobutanoate
Smiles: [O-]C(=O)CC(C(=O)Nc1ccc(cc1)Cl)[NH2+]Cc1ccccc1

STL056589
Synonyms: (4E)- 5- (4- chlorophenyl)- 4- [hydroxy(4- methylphenyl)methylidene]dihydrofuran- 2,3- dione
Smiles: Cc1ccc(cc1)/C(=C/1\C(=O)C(=O)OC1c1ccc(cc1)Cl)/O

STL056609
Synonyms: 4- {4- [(3- nitrophenyl)sulfonyl]piperazin- 1- yl}- 4- oxo- N- [(2Z)- 5- (trifluoromethyl)- 1,3,4- thiadiazol- 2(3H)- ylidene]butanamide
Smiles: O=C(/N=c\1/[nH]nc(s1)C(F)(F)F)CCC(=O)N1CCN(CC1)S(=O)(=O)c1cccc(c1)[N+](=O)[O-]

STL056613
Synonyms: 4- {[(3Z)- 3- {[(2,4- dimethylphenyl)sulfonyl]imino}- 3,4- dihydroquinoxalin- 2- yl]amino}benzoicacid
Smiles: Cc1ccc(c(c1)C)S(=O)(=O)/N=c/1\[nH]c2ccccc2nc1Nc1ccc(cc1)C(=O)O

STL056621
Synonyms: N- (3- chloro- 4- fluorophenyl)- 6- hydroxy- 2- [(4- methylphenyl)amino]- 4,5- dihydropyrimidine- 4- carboxamide
Smiles: Cc1ccc(cc1)NC1=NC(CC(=N1)O)C(=O)Nc1ccc(c(c1)Cl)F

STL056623
Synonyms: 2- (5- methyl- 3- nitro- 1H- pyrazol- 1- yl)- N'- [(E)- (2,3,4- trimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1c(/C=N/NC(=O)Cn2nc(cc2C)[N+](=O)[O-])ccc(c1OC)OC

STL056625
Synonyms: 4- ({(1E)- 1- [4- hydroxy- 1- (4- methylphenyl)- 2,6- dioxo- 1,6- dihydropyrimidin- 5(2H)- ylidene]propyl}amino)benzoicacid
Smiles: CC/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)C)O)/Nc1ccc(cc1)C(=O)O

STL056638
Synonyms: 5- ethyl- 1- [(4- fluorophenyl)carbonyl]- 2- hydroxy- 5- phenylpyrimidine- 4,6(1H,5H)- dione
Smiles: CCC1(C(=O)N=C(N(C1=O)C(=O)c1ccc(cc1)F)O)c1ccccc1

STL056642
Synonyms: tert- butyl[1- (5- {[(2,4- dihydroxy- 6- methylpyrimidin- 5- yl)methyl]sulfanyl}- 1,3,4- oxadiazol- 2- yl)- 3- methylbutyl]carbamate
Smiles: CC(CC(c1nnc(o1)SCc1c(C)nc(nc1O)O)NC(=O)OC(C)(C)C)C

STL056646
Synonyms: 2- hydroxy- 3- (3- methylphenyl)- 6- oxo- 5- (1,2,3,4- tetrahydroisoquinolinium- 1- yl)- 3,6- dihydropyrimidin- 4- olate
Smiles: Cc1cccc(c1)n1c(O)nc(=O)c(c1[O-])C1[NH2+]CCc2c1cccc2

STL056649
Synonyms: 1- [4- (4- {[(4E)- 2- methyl[1]benzofuro[3,2- d]pyrimidin- 4(3H)- ylidene]amino}phenyl)piperazin- 1- yl]ethanone
Smiles: Cc1[nH]/c(=N/c2ccc(cc2)N2CCN(CC2)C(=O)C)/c2c(n1)c1ccccc1o2

STL056654
Synonyms: (E)- {2- (4- ethoxy- 3- methoxyphenyl)- 1- [3- (1H- imidazol- 3- ium- 1- yl)propyl]- 4,5- dioxopyrrolidin- 3- ylidene}(2- methyl- 2,3- dihydro- 1- benzofuran- 5- yl)methanolate
Smiles: CCOc1ccc(cc1OC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1

STL056658
Synonyms: (3S,3a'R,8a'S,8b'S)- 5,7- dimethyl- 2'- (4- methyl- 3- nitrophenyl)- 3a',6',7',8',8a',8b'- hexahydro- 1'H- spiro[indole- 3,4'- pyrrolo[3,4- a]pyrrolizine]- 1',2,3'(1H,2'H)- trione
Smiles: Cc1cc(C)c2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(c(c1)[N+](=O)[O-])C

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