chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
|
|---|---|
CHEMBL1081781
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][/N][=C][Branch1][N][/C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N]
|
CHEMBL1091670
|
[C][C][Branch1][C][C][C][C@H1][Branch1][#Branch1][N][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@H1][Branch2][Branch2][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring2][C][C][N][C][=Branch1][C][=O][N][C@H1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][Ring2][Branch1][Ring2][=O][C@@H1][Branch1][C][C][O]
|
CHEMBL1086190
|
[C][C][=C][C][=C][Branch2][=Branch1][#Branch1][N][/C][=Branch2][Ring1][Branch2][=N][/C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N][S][/C][=Branch2][Ring1][=N][=N][\C][=Branch1][C][=S][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N][C][Ring2][Ring2][C][C][C][C][Ring1][Ring2][C][=C][Ring2][Ring2][O]
|
CHEMBL177285
|
[C][N][C][C][N][Branch2][Branch1][#Branch2][C][C][N][C][C][C][N][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][C][C][=C][S][C][=Ring1][Branch1][Ring2][Ring1][P][C][C][Ring2][Ring2][=Branch2]
|
CHEMBL604582
|
[C][C][=C][N][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][C][Ring1][#Branch2][=C][Ring1][=C][C][=C][C][=C][C][Branch2][Ring1][=C][O][C][=C][C][=C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][C][C][O][=C][Ring1][#C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL1076799
|
[C][=C][C][=C][C][=C][/C][Ring1][=Branch1][=C][Branch2][Ring2][=N][\C][=C][\C][=Branch1][C][=O][O][C][C][C][N][Branch1][C][C][C][C][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C]
|
CHEMBL1093316
|
[C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
|
CHEMBL1207397
|
[C][C][Branch1][C][C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring2][Ring1][N][C][C][C@@H1][Branch1][C][O][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][O]
|
CHEMBL1092024
|
[C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch1][=C][N][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@H1][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C]
|
CHEMBL1077098
|
[C][C][C][C][C][C@@H1][C@][Ring1][=Branch1][Branch1][C][C][C][C][C@H1][Branch1][C][C][C@@][Ring1][Branch2][Branch1][C][C][C][C][=C][C][=Branch1][C][=O][C][Branch1][C][Cl][=C][C][Ring1][Branch2][=O]
|
CHEMBL1076911
|
[C][C][Branch1][C][C][C@H1][C][C][C][=C][C@@][Branch1][C][C][Branch1][#Branch1][C@@H1][Branch1][C][O][C][O][C][C][C@H1][Ring1][O][C@][Ring1][#C][Branch1][C][C][C][C][C@H1][Ring2][Ring1][Branch1][O]
|
CHEMBL163579
|
[C][C][C][C][C][C][C][C][N][C][=N][N][Branch2][Ring2][S][C][=C][C][=C][Branch2][Ring2][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][C][N][C][C@H1][Branch1][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][N][C][Ring2][Ring1][P][=O]
|
CHEMBL1162102
|
[O][=C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][C][=C][Ring1][=C][Ring1][#Branch2][C][=C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][C][=C][Ring1][=C][Ring1][#Branch2][=C][Ring2][Ring2][C]
|
CHEMBL1201933
|
[C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch2][Branch1][#Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][=Branch2][C][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring2][Ring1][=C][=C][Ring2][Ring2][#Branch1].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O]
|
CHEMBL1161924
|
[C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Branch2][C][C][C][C][N][C][C][=C][C][=C][C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][=C][Ring1][O][C][Branch1][C][N][=O]
|
CHEMBL1161220
|
[O][=P][Branch1][C][O][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][#Branch2][C][=C][Ring1][P]
|
CHEMBL1160771
|
[C][C@@H1][Branch1][C][O][C@H1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch2][Ring1][Branch2][C][=C][C][Branch1][Ring1][C][#N][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=C][Ring1][#C][C][C@H1][Ring2][Ring1][#Branch2][Ring2][Ring1][#Branch1]
|
CHEMBL260970
|
[O][=C][Branch2][Ring1][=Branch2][C][C][C][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=N][N][C][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL1099299
|
[C][C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=S][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2]
|
CHEMBL1084425
|
[C][N][C@@H1][C][C][N][Branch2][Ring1][#Branch2][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1]
|
CHEMBL1088145
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][=N][N][/N][=C][\C][=Branch1][C][=O][N][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Branch2]
|
CHEMBL1159678
|
[C][C][C@H1][Branch1][C][C][C@H1][Branch2][=Branch1][Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][O]
|
CHEMBL1159681
|
[C][C][C@H1][Branch1][C][C][C@H1][Branch2][Branch1][#C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Branch1][C][N][=O]
|
CHEMBL1091561
|
[C][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][C][N][C][Branch1][C][C][=O]
|
CHEMBL1096781
|
[C][=C][C][C@H1][O][C@H1][Branch2][Ring1][Branch1][C@@H1][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][C][C][=Branch1][C][=C][C@H1][Ring1][=N][Ring1][#Branch2][C@][Branch1][C][C][Branch1][C][O][C][C][C@@H1][Ring2][Ring1][Branch1][O][C][Branch1][C][C][=O]
|
CHEMBL3347286
|
[C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][Ring1][=N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][S][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][=N][#Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][=Branch2][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][Branch1][C][C][=O][C@@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O]
|
CHEMBL606709
|
[C][O][C][=Branch1][C][=O][/C][=C][/C][=Branch1][C][=O][N][C@H1][C][C@@][C][=C][C@][Ring1][=Branch1][Branch1][Ring1][O][C][C@@H1][O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][Ring1][#Branch2][Ring1][S][C][C][N][Branch1][C][C][C@@H1][Ring2][Ring1][Branch1][C][Ring1][=Branch2]
|
CHEMBL406648
|
[C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][N][Branch2][Ring1][Branch2][C][=C][C][Branch1][C][F][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][=C][Ring1][O][C][C][C][Ring1][S][C][C][=Branch1][C][=O][O]
|
CHEMBL604989
|
[C][C@][C][C][C@@H1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][C@H1][Ring1][O][C@@H1][Ring1][#C][C][C][C@@][Ring2][Ring1][C][Branch1][C][O][C][#C][C][=C][C][=C][Branch3][Ring1][=N][#Branch2][C][N][C][C@H1][O][C@@H1][O][C@@H1][C@@H1][Branch2][Branch1][Ring1][C][N][C][C][=C][C][=C][Branch2][Ring2][Ring2][C][#C][C@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C@H1][Ring1][O][C][C][C@@][Ring1][#C][Ring2][Ring1][Ring1][C][C][=C][Ring2][Ring1][N][O][C@H1][Branch3][Ring1][Branch2][=N][O][C@@H1][C@@H1][Branch2][Branch1][Ring1][C][N][C][C][=C][C][=C][Branch2][Ring2][Ring2][C][#C][C@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C@H1][Ring1][O][C][C][C@@][Ring1][#C][Ring2][Ring1][Ring1][C][C][=C][Ring2][Ring1][N][O][C@H1][Branch3][Ring1][Ring2][=Branch1][O][C@@H1][C@@H1][Branch2][Branch1][Ring1][C][N][C][C][=C][C][=C][Branch2][Ring2][Ring2][C][#C][C@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C@H1][Ring1][O][C][C][C@@][Ring1][#C][Ring2][Ring1][Ring1][C][C][=C][Ring2][Ring1][N][O][C@H1][Branch2][#C][S][O][C@@H1][C@@H1][Branch2][Branch1][Ring1][C][N][C][C][=C][C][=C][Branch2][Ring2][Ring2][C][#C][C@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C@H1][Ring1][O][C][C][C@@][Ring1][#C][Ring2][Ring1][Ring1][C][C][=C][Ring2][Ring1][N][O][C@H1][Branch2][O][#Branch2][O][C@@H1][C@@H1][Branch2][Branch1][Ring1][C][N][C][C][=C][C][=C][Branch2][Ring2][Ring2][C][#C][C@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C@H1][Ring1][O][C][C][C@@][Ring1][#C][Ring2][Ring1][Ring1][C][C][=C][Ring2][Ring1][N][O][C@H1][Branch2][#Branch1][Ring2][O][C@@H1][C@@H1][Branch2][Branch1][Ring1][C][N][C][C][=C][C][=C][Branch2][Ring2][Ring2][C][#C][C@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C@H1][Ring1][O][C][C][C@@][Ring1][#C][Ring2][Ring1][Ring1][C][C][=C][Ring2][Ring1][N][O][C@H1][Branch1][#C][O][C@H1][Ring2][#C][=N][C@H1][Branch1][C][O][C@H1][Ring2][#C][=C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring2][N][O][C@H1][Branch1][C][O][C@H1][Ring2][#Branch1][Ring2][O][C@H1][Branch1][C][O][C@H1][Ring2][=Branch2][N][O][C@H1][Branch1][C][O][C@H1][Ring2][N][Ring2][O][C@H1][Branch1][C][O][C@H1][Ring2][=C][N][O][C@H1][Branch1][C][O][C@H1][Ring2][P][Ring2][O][C][=C][Ring3][Ring1][C][C]
|
CHEMBL611115
|
[C][C@@][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][C][Branch2][Ring1][Branch2][N][C][=N][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][N][=C][N][=C][Ring1][N][Ring1][#C][C@@H1][Ring2][Ring1][#Branch1][O]
|
CHEMBL4116115
|
[C][N+1][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][Ring2][Ring1][#Branch2]
|
CHEMBL608407
|
[C][C][=Branch1][C][=O][O][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][C][Branch2][#Branch1][#Branch1][C@@H1][C][=C][Branch2][Branch1][Ring2][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][O][C@H1][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring1][=C][C@@H1][Branch1][C][O][C][Ring2][Ring1][Branch1][O][C@H1][Ring2][Ring1][S][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring1][=C][=C][Ring2][Branch1][Branch2]
|
CHEMBL608409
|
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][/N][=C][Branch1][C][C][\C][Branch1][C][C][=N][\C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL1094634
|
[C][=C][/C][=Branch2][Ring2][Branch1][=C][\C][=C][/C][C][C][C@][Branch1][C][C][C][Branch1][S][C@H1][Branch1][C][C][C][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][C@@H1][Ring2][Ring1][Ring1][Ring1][#C][C][C@@H1][Branch1][C][O][C][C@@H1][Ring2][Ring1][N][O]
|
CHEMBL1088591
|
[C][C][=C][Branch1][Ring1][C][#N][C][=N][C][Branch1][C][N][=C][Branch1][Ring1][C][#N][C][Branch1][C][C][=C][Ring1][#Branch2][/C][Ring1][#C][=C][/C][=C][C][=C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][O][Ring1][=C]
|
CHEMBL612143
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O]
|
CHEMBL1078513
|
[C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][=N][C][Branch1][C][Cl][=C][Ring1][P][C][#N][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL1208391
|
[C][C][N][=C][Branch2][Branch2][=Branch1][C][=N][C][Branch2][#Branch1][Ring2][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=Branch2][Ring2][Branch1][=C][Ring1][=Branch1][O][C][N][=C][Branch2][Ring1][C][C][=N][C][Branch1][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][S][Ring1][=Branch2][S][C][=Ring1][=C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][Ring2][Ring2][#C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][S][Ring2][Branch1][#Branch2][S][C][=Ring2][Branch1][#C][C][=Branch1][C][=O][O]
|
CHEMBL1213309
|
[C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Ring1][S][C][N]
|
CHEMBL1075761
|
[O][=C][Branch2][Branch1][Branch2][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL1092426
|
[C][C][Branch2][#Branch1][Ring1][C@H1][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][C][Branch1][N][C@H1][C][C][C][S][Ring1][Branch1][=Branch1][C][=O][=O][C][C][C][C][C][Ring1][=N][C][=Branch1][C][=O][N][C][C@@H1][C@H1][Branch2][Ring1][P][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][Ring2][Ring1][Branch1][Branch1][C][C][C][C][C][C][C][C][Ring2][Branch1][Ring1]
|
CHEMBL1092443
|
[N][C][=C][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][=C][/N][=N][/C][=C][C][=C][C][Branch1][C][O][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][C][Ring1][O][=C][Ring1][#C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][C][Ring2][Ring1][N][=C][Ring2][Ring1][S]
|
CHEMBL1207408
|
[C][C@@H1][O][C@@H1][Branch2][Branch1][=C][O][C@@H1][C][C][C][C][C@H1][Ring1][=Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch2][Ring1][S][O][C@@H1][Branch2][Ring1][=Branch1][C][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][=Branch1][C][=O][O][C@H1][Ring2][Ring1][=Branch2][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Ring2][Ring2][#Branch2][O]
|
CHEMBL1089317
|
[C][C][Branch1][C][C][C][C][N][C][=C][C][Branch1][C][Cl][=N][C][Branch2][Ring1][Branch2][S][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1]
|
CHEMBL1088309
|
[O][=C][Branch2][Ring1][Branch2][C][C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][N][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C]
|
CHEMBL1077805
|
[C][O][C][=C][C][=C][C][Branch2][Branch1][=C][C][C][N][C][C][N][Branch2][Ring2][#Branch1][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][C][Ring1][Branch1][C][N][C][C][N][C][C@@H1][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@H1][Ring2][Ring2][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring2][P]
|
CHEMBL1097646
|
[C][C][C@H1][Branch1][C][C][C@H1][Branch2][#Branch1][S][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch2][=N][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C]
|
CHEMBL1094665
|
[C][C][Branch1][C][C][C][C@H1][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][N][C][=Branch1][C][=O][C][NH1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=Ring1][Branch2][F][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][O][C][=N][NH1][C][=Branch1][C][=S][O][Ring1][=Branch1][=C][Ring1][N]
|
CHEMBL1160322
|
[O][=C][Branch2][Ring1][#Branch2][N][C][C][=C][C][=C][Branch1][O][O][C][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][#C][C][=C][C][=C][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][O]
|
CHEMBL1077107
|
[C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][Branch1][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][N][C][Branch2][Ring1][#Branch1][N][N][C][=Branch1][C][=O][/C][=Branch1][=Branch2][=C][\C][=C][C][=C][O][Ring1][Branch1][S][C][Ring1][N][=S][=N][Ring2][Ring2][Branch2]
|
CHEMBL608415
|
[C][C][Branch1][C][C][C][C@H1][Branch2][S][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][=N][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][O]
|
CHEMBL532645
|
[C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][C][C][Branch1][C][C][N][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][P][Ring1][Branch2].[Cl]
|
CHEMBL1209204
|
[N][#C][C][=C][C][Branch1][C][F][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][S]
|
CHEMBL1091752
|
[N][C][=C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][Branch2][=Branch1][Ring2][/N][=N][/C][=C][C][=C][Branch2][Branch1][=Branch1][C][=C][C][=C][Branch2][Ring2][#Branch2][/N][=N][/C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Branch1][C][N][C][Ring1][O][=C][Ring2][Ring1][Ring1][O][C][=C][Ring2][Ring1][N][C][=C][Ring2][Ring2][C][C][Branch1][C][O][=C][C][Ring2][Ring2][#C][=C][Ring2][Branch1][Ring1]
|
CHEMBL1075929
|
[C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][N][Branch2][Branch1][O][C][=Branch1][C][=O][C][C][C][C][N][C][=Branch1][C][=S][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=Branch1][O][C][Ring1][=Branch1][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring1][C][C][C][/C][=C][\C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][Ring2][Branch2][Ring1][=O]
|
CHEMBL1075937
|
[C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][N][Branch2][Branch1][O][C][=Branch1][C][=O][C][C][C][C][N][C][=Branch1][C][=S][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=Branch1][O][C][Ring1][=Branch1][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring1][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][N][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][Branch1][C][N][=O][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][Ring2][Branch2][O][=O]
|
CHEMBL1098866
|
[C][C][Branch1][C][C][O][C@H1][C@@H1][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][O][C@@H1][Branch1][=C][C][N][C][C][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C@H1][Ring2][Ring1][#C][O][Ring2][Ring2][Ring1]
|
CHEMBL1159434
|
[C][C@H1][O][C@@H1][Branch2][=Branch1][C][O][C@H1][C][C][C@@][Branch1][C][C][C][Branch2][Ring2][=N][C][C][C@][Branch1][C][C][C][Ring1][Branch2][C][=C][C@][O][C][C@@][Branch1][S][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2][Ring1][O][C@@H1][Branch1][C][O][C][C@][Ring1][#C][Ring2][Ring1][Ring2][C][C@][Ring2][Ring1][=C][Branch1][C][C][C][O][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@H1][Ring2][Branch1][Branch1][O]
|
CHEMBL1084510
|
[C][O][C][=C][C][=C][Branch2][Branch1][#Branch1][N][C][C][N][Branch2][Ring2][O][C][=C][C][=C][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1][C][C][Ring2][Ring1][N][C][=C][Ring2][Ring2][C]
|
CHEMBL1206474
|
[C][C][Branch1][C][C][C][C][Branch2][Branch1][C][C][P][=Branch1][C][=O][Branch1][C][O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O]
|
CHEMBL1079125
|
[C][C][Branch1][C][C][C@@H1][Branch1][C][O][C][C@@H1][O][C][=Branch1][C][=O][C@@][C][C@@H1][Branch2][Ring1][Branch2][C][C@@H1][Branch1][C][O][C@H1][Ring1][#Branch1][C@][Ring1][N][C][O][C@@H1][Branch1][C][O][C@H1][Ring2][Ring1][=Branch1][Ring1][=Branch1][C@@][Branch2][Branch1][Ring1][C][C][C][=C][Branch1][Ring2][O][Ring1][=Branch1][C@][C][C@H1][Ring1][=Branch1][C][C@@H1][Branch1][C][O][C@H1][Ring1][#Branch1][C@][C][O][C@@H1][O][C][C@][Branch1][C][C][Branch1][N][C][C][C@@H1][Ring1][O][O][C][Ring2][Ring1][Ring2][=O][C@@H1][Ring1][N][Ring1][#C][C][Ring2][Ring2][#Branch2][=O]
|
CHEMBL1079127
|
[C][O][C][=Branch1][C][=O][C][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@][Ring1][=Branch2][C][C][N][C@H1][Branch1][C][O][C@][Branch2][Branch1][#Branch1][C][C@@H1][C][C@][C][C][=Branch1][C][=O][C][C@H1][Ring1][=Branch1][C][C][N][C][C][C@@][Branch2][Ring1][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][N][Branch1][Branch1][C][Ring2][Ring1][#Branch2][C@@][Ring2][Ring1][=Branch2][Ring1][N][O][C@@H1][Ring1][P][Ring2][Ring1][=Branch2][C@@H1][O][C][C][C@][Ring1][Branch1][Branch1][Branch1][C][Ring2][Branch1][C][C@H1][Ring2][Ring2][#Branch1][Ring2][Ring2][#Branch2]
|
CHEMBL607223
|
[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][Branch2][O][C][N+1][C][C][C@][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C@H1][Ring1][=Branch2][C@H1][C@@H1][Branch1][#Branch1][C][C@@H1][Ring1][=N][Ring1][S][C][=Branch2][=Branch1][Branch2][=C][C][O][C@H1][Ring1][=Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@][C][C][N+1][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][C][=C][C][O][C@@H1][Ring2][Ring2][#Branch1][C@@H1][Branch1][Branch2][C@H1][Ring2][Ring1][=C][Ring2][Ring1][#Branch1][C@H1][Ring1][Branch2][C][C@@H1][Ring2][Ring1][#Branch2][Ring2][Ring1][#Branch1][C][Ring2][Branch1][#Branch1][C][=C][Ring2][Branch1][=C].[Br-1].[Br-1]
|
CHEMBL1088782
|
[O][=C][Branch2][Ring1][Branch2][C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][O][N][C@H1][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL1077878
|
[C][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Br][C][C][C@@H1][C@@H1][Ring1][=Branch2][C][C][C@][Branch1][C][C][C@@H1][Branch1][C][O][C][C][C@@H1][Ring1][O][Ring1][#Branch1]
|
CHEMBL1159904
|
[C][C][C][C][C@H1][Branch2][Ring2][N][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][O][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][C][C][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][C][Branch1][C][C][C]
|
CHEMBL1159912
|
[C][C][C][C][C@@H1][Branch2][=Branch1][#Branch2][C][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][O][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL1160667
|
[C][=C][C][=C][Branch2][Ring1][P][C][N][C][C][C][C][C][C][N][C][C][S][S][C][C][N][C][C][C][C][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring2][Ring2]
|
CHEMBL1170005
|
[C][C][=C][C][Branch1][Ring1][C][#N][=C][C][Branch1][C][C][=C][Ring1][=Branch2][O][C][=N][C][Branch2][Ring2][C][N][C][C][C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][Cl][C][C][Ring2][Ring1][C][=N][C][=C][Ring2][Ring1][=Branch2][Br]
|
CHEMBL1160256
|
[C][C][=C][Branch1][C][C][C][=C][Branch2][Ring1][C][C][Branch1][C][C][=C][Ring1][Branch2][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Branch1][Ring1][C][N][C][C][C][C@H1][Ring1][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][=N][C][C][S][C][=Branch1][C][=O][N][Branch1][#C][C][=Branch1][C][=O][C][C][Branch1][C][O][C][=Branch1][C][=O][O][C][Ring1][=C][=O][C][=C][Ring2][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][O][Ring2][Ring2][S]
|
CHEMBL1207360
|
[C][C][Branch1][C][C][N][C][Branch2][Ring1][C][C][C][C@@H1][Branch1][C][O][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][O][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL1099329
|
[O][=C][Branch1][C][O][C][C][C][O][C][=C][C][=C][C][Branch2][Branch1][Branch1][C][C][C][C][C][C][O][C][=C][C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][Ring2][Ring1][#Branch2][=C][Ring2][Ring2][#Branch1][C][C][C][=Branch1][C][=O][O]
|
CHEMBL1077021
|
[C][C@H1][C][C][C@H1][C@@H1][Branch1][S][C][=C][C@@H1][C][O][C][=Branch1][C][=O][C@@][Ring1][=Branch1][Ring1][#Branch2][C][C][Ring1][#C]
|
CHEMBL1085236
|
[C][C][C@H1][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch2][Branch1][Ring1][O][C@H1][C][C@@][Branch1][C][C][Branch1][Ring1][O][C][C@@H1][Branch2][Ring1][N][O][C][=Branch1][C][=O][C][C][N][C@@H1][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C@H1][Branch1][C][C][O][Ring2][Ring1][O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][C][C][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring1][#Branch2][O][C@][Branch1][C][C][Branch1][C][O][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@][Ring2][Branch1][S][Branch1][C][C][O]
|
CHEMBL1075934
|
[C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][Branch2][=Branch1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][N][C][=Branch1][C][=S][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=Branch1][O][C][Ring1][=Branch1][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring1][C][C][/C][=C][/C][C][C][C][C][C][N][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][Branch1][C][N][=O][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][Ring2][Branch2][Branch1][=O]
|
CHEMBL1075938
|
[C][=C][C][C][C][C][C][C][N][Branch2][Branch2][=N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch1][Ring2][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][C][C][=C][C][C][Branch1][C][N][=O][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][C][C][C][C][N][C][=Branch1][C][=S][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=Branch1][O][C][Ring1][=Branch1][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring1]
|
CHEMBL1091359
|
[C][N][Branch1][C][C][C][C][O][C][=C][C][=C][Branch2][Branch1][Ring2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][C][C][=N][C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][=N][N][C][C][C][C][Ring1][Branch1][C][O][C][Ring1][#Branch1][=N][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring2][Ring2]
|
CHEMBL1092041
|
[C][C@@H1][C][O][C][C][N][Ring1][=Branch1][C][=N][C][Branch2][Ring2][Branch2][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][N][=C][Ring1][=N][C][=C][Ring2][Ring1][#Branch1][=N][C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring2][Ring1]
|
CHEMBL1096890
|
[C][C][N][C][=Branch1][C][=O][C@H1][O][C@@H1][Branch2][=Branch1][Branch2][N][C][=N][C][=C][Branch2][Ring1][=Branch1][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][N][C][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][N][=C][Ring2][Ring2][#Branch2][Ring2][Ring2][=N][C@H1][Branch1][C][O][C@@H1][Ring2][Branch1][Ring1][O]
|
CHEMBL1096892
|
[C][C][N][C][=Branch1][C][=O][C@H1][O][C@@H1][Branch2][=Branch1][C][N][C][=N][C][=C][Branch2][Ring1][=Branch1][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring2][=Branch1][Ring2][Ring2][=Branch2][C@H1][Branch1][C][O][C@@H1][Ring2][Ring2][#C][O]
|
CHEMBL1161178
|
[C][=Branch1][O][=N][N][C][=N][C][C][C][N][Ring1][=Branch1][C][C][=C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][O][C][=Ring1][#C]
|
CHEMBL1075896
|
[N][C][=N][C][=C][C][Branch1][#C][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][Ring1][S]
|
CHEMBL1076212
|
[C][C][=C][C][Branch2][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring2][=C][N][C][C][N][Branch2][Ring2][C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][C][C][Ring2][Ring1][#Branch2][C][C][Ring2][Ring1][S][=C][Branch1][C][C][O][Ring2][Ring2][Branch2]
|
CHEMBL1098309
|
[C][C][N][Branch1][Ring1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][N][Branch1][S][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL1097992
|
[C][C][=C][C][=C][C@][Branch1][C][O][Branch2][Branch1][P][C][C@H1][C@@][Branch1][C][C][C@@H1][C][C@@H1][Ring1][Ring1][C@@][Branch1][C][O][C][O][C][=Branch1][C][=O][/C][Branch1][C][C][=C][/C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][C][=C][Branch1][=Branch2][C][C@@H1][Ring2][Ring1][#Branch1][Ring2][Ring1][N][C@@][Ring2][Ring2][Ring1][Ring2][Ring1][=C][O][C][Ring1][#Branch1][=O][C@H1][C][C@H1][Ring1][Ring1][C@][Ring2][Ring2][=Branch2][Branch1][C][C][C@@H1][Branch1][C][O][C@@][Ring2][Ring2][#C][Branch1][C][O][O][C][Ring2][Branch1][Ring1][=O]
|
CHEMBL1090265
|
[C][C][C][Branch1][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Ring2][C][C][/N][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C@@H1][Branch2][O][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring2][C][C][N][C][=Branch1][C][=O][N][C@H1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][Ring2][C][C][/N][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][Ring2][C][C][/N][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][Ring2][C][C][/N][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][N][C][Ring2][=Branch1][#C][=O][C@@H1][Branch1][C][C][O]
|
CHEMBL1095015
|
[C][/C][=C][Branch1][C][/C][C][=Branch1][C][=O][O][C@H1][C@H1][Branch1][C][O][C@@][Branch1][Ring1][C][O][C@@H1][Branch1][=Branch2][C][C][Ring1][=Branch2][Branch1][C][C][C][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Branch1][O][O][C@@H1][O][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][O][C@H1][Branch1][P][O][C@@H1][O][C@@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@H1][Ring2][Ring1][Ring2][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@][Branch1][C][C][Branch1][Ring1][C][O][C@@H1][Ring2][Ring2][O][C][C][C@@][Ring2][Ring2][#C][Branch1][C][C][C@][Ring2][Branch1][Ring2][Branch1][C][C][C][C@H1][Ring2][Branch1][#C][O]
|
CHEMBL1162967
|
[C][O][C][=C][C][=C][Branch2][=N][Ring2][/C][=N][\O][C@H1][C][C][N][Branch2][#Branch2][Ring1][C][=Branch1][C][=O][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch1][P][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][N][C][=Branch1][C][=S][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=Branch1][O][C][Ring1][=Branch1][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring1][C@@H1][Branch1][C][C][O][C@@H1][Ring2][#Branch1][Ring1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][Branch1][C][N][=O][C][=C][Ring2][Branch2][P][O]
|
CHEMBL1202102
|
[N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Branch1][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch2][Ring2][Branch1][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][N][=O][C][=C][Ring2][Ring2][Ring2].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL1099305
|
[C][C@@H1][Branch1][C][O][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][P][N][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][N][C][=C][Branch2][#C][=Branch1][C][O][C][=C][C][Branch2][#Branch2][#Branch2][O][C][C][=C][N][Branch2][=Branch2][=N][C][C][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][C][S][S][C][C@@H1][Branch1][S][C][=Branch1][C][=O][N][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][Ring2][Branch1][O][=O][N][=N][Ring2][#Branch1][Ring2][=C][C][Branch2][Branch1][N][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][Ring2][Ring1][Branch2][=C][Ring2][=Branch2][S][N][=N][Ring2][#Branch2][#Branch1][C][S][S][C][C@@H1][Branch1][S][C][=Branch1][C][=O][N][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][C][O][N][C][Ring2][#C][C][=O]
|
CHEMBL1099322
|
[C][O][C][=C][C][=C][C][Branch1][=C][N][C][=C][Branch1][C][Cl][C][=N][C][=C][Ring1][#Branch1][Cl][=C][C][=Branch1][C][=O][O][C][Ring1][S][=C][Ring2][Ring1][Ring2][O][C][C][C][C][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL1096298
|
[C][C@][O][C@@H1][O][C][=Branch1][C][=O][C@H1][Ring1][#Branch1][C@H1][Branch1][=Branch1][C][C@@H1][Ring1][#Branch2][O][C@H1][Ring1][#Branch2][C][O]
|
CHEMBL1096311
|
[C][C][C@H1][Branch1][C][C][C@H1][Branch2][O][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch2][#Branch1][Ring2][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch1][C][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch1][Ring2][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C]
|
CHEMBL1096330
|
[C][O][C][=C][C][Branch2][Branch1][=N][C][C][=C][N][=C][Branch2][Ring2][#C][/N][=C][\C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring2][Ring1][=Branch2][N][=C][Ring2][Ring1][S][N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][#Branch2][O][C]
|
CHEMBL612215
|
[C][C][C@H1][Branch2][Ring2][Branch1][C][O][C][=N][C][Branch1][C][N][=C][N][=C][N][Branch1][S][C][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C][Ring1][=C][=N][Ring2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL1091672
|
[C][C][Branch1][C][C][C][C@@H1][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][P][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][O][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][Ring2][=Branch1][=N][=O]
|
CHEMBL1097888
|
[C][C][=C][N][Branch3][Ring1][=N][#Branch1][C][C][=Branch1][C][=O][N][Branch3][Ring1][#Branch2][Ring2][C][C][N][C][=Branch1][C][=O][C][N][Branch3][Ring1][Branch2][=Branch1][C][C][N][C][=Branch1][C][=O][C][N][Branch3][Ring1][Branch1][P][C][C][N][C][=Branch1][C][=O][C][N][Branch3][Ring1][Ring1][S][C][C][N][C][=Branch1][C][=O][C][N][Branch3][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][N][Branch2][#C][=C][C][C][N][C][=Branch1][C][=O][C][N][Branch2][=N][=C][C][C][N][C][=Branch1][C][=O][C][N][Branch2][O][P][C][C][N][C][=Branch1][C][=O][C][N][Branch2][=Branch2][=N][C][C][N][C][=Branch1][C][=O][C][N][Branch2][#Branch1][=N][C][C][N][C][=Branch1][C][=O][C][N][Branch2][Ring2][#Branch1][C][C][N][C][=Branch1][C][=O][C][N][Branch1][Ring2][C][C][N][C][=Branch1][C][=O][C][N][C][=N][C][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=N][C][=Ring1][Branch2][Ring1][O][C][=Branch1][C][=O][C][N][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][Branch1][Branch1][O][C][C][N][C][=C][C][=C][Ring1][#Branch2][O][C][C][N][NH1][C][Ring2][Ring1][Ring1][=N][C][Ring2][Ring1][#Branch1][=O][C][=Branch1][C][=O][C][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][=Branch1][C][=O][C][N][C][=N][C][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=N][C][=Ring1][Branch2][Ring1][O][C][=Branch1][C][=O][C][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][C][=Branch1][C][=O][C][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][=Branch1][C][=O][C][N][C][=N][C][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=N][C][=Ring1][Branch2][Ring1][O][C][=Branch1][C][=O][C][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][C][=Branch1][C][=O][C][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][=Branch1][C][=O][C][N][C][=N][C][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=N][C][=Ring1][Branch2][Ring1][O][C][=Branch1][C][=O][C][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][C][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][C][N][C][=N][C][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=N][C][=Ring1][Branch2][Ring1][O][C][=Branch1][C][=O][NH1][C][Ring3][Ring1][C][N][=O]
|
CHEMBL1161839
|
[N][=C][Branch1][C][N][N][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][C][C][C][C][C][=C][C][=C][Branch1][#Branch1][N][C][=Branch1][C][=N][N][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL32423
|
[Br].[Br].[C][C][C][C][C][C][C][C][N][=C][C][=C][N][Branch2][Ring2][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=C][C][=Branch1][#Branch2][=N][C][C][C][C][C][C][C][C][C][=C][Ring1][#C][C][=C][Ring2][Ring2][Ring1]
|
CHEMBL1162317
|
[C][O][C][=Branch1][C][=O][C@][Branch1][C][C][C@@H1][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][C@][C][C@][Ring1][Ring1][C][C][C@][Branch1][C][C][C@@H1][Branch1][S][C@H1][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][C][C][C@@][Ring1][#C][Branch1][C][C][C@@H1][Ring2][Ring1][Ring2][C][C][C@@H1][Ring2][Ring2][Ring1][Ring2][Ring1][=Branch2]
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.