chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
|
|---|---|
CHEMBL501317
|
[N][/C][=Branch2][Branch2][Branch2][=N][/C][=Branch1][C][=O][C][C][C][N][C][=C][Branch2][#Branch1][Branch1][C][=C][C][=C][Branch2][=Branch1][=Branch2][C][=C][N][Branch2][Branch1][=C][C][C][C][C][=Branch1][C][=O][/N][=C][Branch1][C][\N][N][C][C][C][C@@H1][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][=N][Ring2][Ring2][=N][C][=C][Ring2][Branch1][Ring1][N][=N][Ring2][Branch1][Branch2][N][C][C][C][C@@H1][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL501323
|
[C][O][C][=Branch1][C][=O][C@H1][O][C@@H1][Branch2][Branch2][Branch2][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][#Branch1][Ring2][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][C][=C][C@@H1][C][C][Branch1][C][C][Branch1][C][C][C@@H1][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][/C][=C][Branch1][C][/C][C][C][C][=C][Branch1][C][C][C][C@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@][Ring2][Ring1][=N][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@][Ring2][Ring2][Branch1][Ring2][Ring2][#Branch2][C][C][Ring2][Branch1][Ring2][Branch1][C][C][C][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][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Ring2][=Branch1][=N][O][C@@H1][O][C@@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O]
|
CHEMBL501326
|
[C][C][Branch1][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][=C][Ring2][Ring2][C]
|
CHEMBL501328
|
[O][=C][Branch1][=C][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL501858
|
[O][=C][Branch1][C][O][/C][Branch1][C][O][=C][/C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][Ring1][S]
|
CHEMBL501871
|
[C][O][C][C@@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][C]
|
CHEMBL501874
|
[C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][Branch1][Ring2][C][Ring1][Branch2][N][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=N][Ring1][#Branch1][C][Ring2][Ring1][=Branch1][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][F]
|
CHEMBL501877
|
[C][C][Branch1][C][C][Branch1][C][F][C][C@H1][Branch2][Ring2][O][N][C@@H1][Branch2][Ring1][=C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][Ring1][S][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][=O]
|
CHEMBL502678
|
[N][=C][Branch1][C][N][N][C][C][C][C@H1][Branch1][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][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][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][=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][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O]
|
CHEMBL501571
|
[C][C][=C][C][=C][Branch2][Ring1][O][N][C][=N][C][=C][C][=C][Branch1][O][C][=Branch1][C][=N][N][C][Branch1][C][C][C][C][=C][Ring1][N][S][Ring1][#C][N][=C][Ring2][Ring1][=Branch1].[Cl].[Cl]
|
CHEMBL501587
|
[C][C][=Branch1][C][=O][N][Branch2][Ring1][N][C][C][C][C][N][C][=C][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][C][C][Ring1][=N][C][C][C][S][C][=C][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][C][C][Ring1][=N]
|
CHEMBL505038
|
[O][=C][C][=Branch1][C][=O][N][Branch2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][=Branch1]
|
CHEMBL500179
|
[C][=C][C][C][C@H1][C@][Branch1][C][C][Branch1][=Branch2][C][C][C][=C][Branch1][C][C][C][C@@H1][Branch1][P][O][C][=Branch1][C][=O][C@H1][Branch1][Ring1][O][C][C@@H1][Branch1][C][C][C][C][C][C][C@][Ring2][Ring1][#Branch1][Branch1][C][C][C@@H1][Ring2][Ring1][N][C][C][=C][Branch1][Ring1][O][C][O][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][#Branch2][=O]
|
CHEMBL502582
|
[N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL503340
|
[C][=C][/C][=C][\C@H1][Branch1][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][N][=O][C@@H1][Branch1][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch1][C][C][C][/C][Branch1][C][C][=C][\C@H1][Branch1][C][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch1][C][C][/C][=C][\C@H1][Branch2][Ring1][=Branch2][C][C@@H1][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Ring1][N][C][O][C][Branch1][C][C][=O]
|
CHEMBL503342
|
[C][C][Branch1][C][C][C@H1][Branch2][O][Branch2][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][=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][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][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][N][C][=Branch1][C][=N][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][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][O]
|
CHEMBL503345
|
[C][C][=Branch1][C][=O][O][C@@H1][C@@H1][O][C@][Ring1][Ring1][Branch1][C][C][C@@H1][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@][O][C@@][Ring1][Ring1][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][Ring1][Branch2][/C][=C][Branch1][C][/C][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@][Ring2][Ring1][=N][Branch1][C][C][C@H1][Ring2][Ring2][Ring2][O][C][Branch1][C][C][=O]
|
CHEMBL503350
|
[C][C][C][C][C][C][C][C][C][C][C][C][C@@H1][Branch1][C][O][C@H1][C][C][C@H1][Branch2][Ring2][C][C@H1][Branch1][C][O][C][C][C][C][C][C][=Branch1][C][=O][C][C][C][C][C@@H1][Branch1][C][O][C][C][=C][C@H1][Branch1][C][C][O][C][Ring1][=Branch1][=O][O][Ring2][Ring1][N]
|
CHEMBL503419
|
[C][O][C][=C][C][Branch1][C][O][=C][C][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][C][=Branch2][Ring1][=C][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][#Branch1][C@@][Branch1][Ring2][C][Ring1][Branch1][C][Branch1][C][C][=C][C][C][C][Ring1][Branch2][Branch1][C][C][C][C@H1][Branch1][C][O][C@@][Branch1][C][O][C][C][Branch1][C][O][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Branch1][C][=O][C@@][Ring1][N][Branch1][C][O][C][Ring2][Ring1][#C][=O]
|
CHEMBL503422
|
[F][C][=C][C][=C][C][Branch1][Branch2][C][=N][N][=N][NH1][Ring1][Branch1][=C][Ring1][O]
|
CHEMBL503430
|
[C][O][C][=C][C][=C][Branch2][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][N][C][C@@H1][C][C][C][=Branch1][C][=O][N][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][O][C@@H1][C][C@@H1][C][C][O][C@@H1][Ring1][Branch1][C][Ring1][Branch2][C][=C][Ring2][Ring2][Branch2]
|
CHEMBL503434
|
[C][O][C][=Branch1][C][=O][C@@][C][C][=Branch1][C][=O][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][C][C][C@@H1][Branch1][C][C][C][C][=Branch1][C][=O][C@@H1][Ring2][Ring1][=Branch1][C][C][Branch1][C][C][=C][C@@H1][C][C@@][Branch1][C][C][Branch1][C][O][C@H1][Branch2][Ring1][=Branch2][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][C][C][/C][Branch1][C][C][=C][/C@H1][Ring2][Ring1][Ring1][Ring2][Ring2][N][O][Ring2][Ring1][Ring1]
|
CHEMBL503508
|
[C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][C][Ring1][=Branch1]
|
CHEMBL503512
|
[C][C][Branch1][C][C][C][C@H1][Branch2][O][N][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][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][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][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][S][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][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][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][O]
|
CHEMBL503517
|
[C][C][C][C][O][C][=C][C][=C][C][=C][C][=N+1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][#C][/C][=C][/C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Ring2][Ring1][#Branch1][N][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring2][Ring1][=C][Ring2][Ring2][#Branch1].[Br-1]
|
CHEMBL538686
|
[C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][O][C@@H1][C][Branch2][Ring1][=N][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C@@H1][C][=Branch1][C][=O][C@][Branch2][Ring1][=Branch1][C][=C][Branch1][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@][Ring2][Ring2][Ring2][Ring1][#Branch2][O][C@H1][Branch1][C][C][C][C@@H1][C@H1][Ring2][Ring1][Ring1][C][Ring1][Ring1][Branch1][C][C][C]
|
CHEMBL538689
|
[C][C][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][Branch2][O][C][=Branch1][C][=O][C@@H1][Branch1][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][O][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch2][=Branch2][Ring2][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch1][=N][C][=Branch1][C][=O][O][C@@H1][Branch2][=Branch1][=C][C][=Branch1][C][=O][N][C@@H1][Branch2][Branch1][S][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C@@H1][Branch1][C][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C]
|
CHEMBL538692
|
[N][C][=N][C][Branch1][C][F][=N][C][=C][Ring1][#Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch1][=C][C][S][C][C][C][Branch1][C][N][C][=Branch1][C][=O][O][C@@H1][Branch1][C][O][C@H1][Ring1][#C][O]
|
CHEMBL538765
|
[C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=N][Ring1][=Branch2][C][C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][S][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][C][=Ring1][=Branch2][Ring1][S].[Cl]
|
CHEMBL547873
|
[C][O][C][=C][C][=C][N][=C][C][=C][Branch2][Ring1][#C][C@@H1][Branch1][C][O][C][N][C][C][C][N][Branch1][C][C][C][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][=C].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O]
|
CHEMBL548334
|
[C][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=N][C][=Ring1][P][C]
|
CHEMBL546744
|
[C][C][C][N][C][C][Branch1][C][C][Branch2][Ring1][#Branch1][C][N][Branch1][Ring2][C][Ring1][=Branch2][C][Ring1][Branch2][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][Ring2][Ring1][Ring1][O]
|
CHEMBL1205641
|
[O][=C][Branch1][C][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=C][Ring1][N]
|
CHEMBL507756
|
[C][C][=C][Branch1][C][O][C][=C][C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Ring1][N][=Ring1][#Branch1][C][C][C][C][Ring1][#Branch2]
|
CHEMBL507764
|
[C][C][=Branch1][C][=O][O][C][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][Ring2][Ring1][Ring1][=O]
|
CHEMBL507824
|
[C][C][Branch1][C][C][C@H1][Branch2][Branch1][#Branch2][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][Branch1][C][N][C][C][=Branch1][C][=O][O][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][#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][N][C][Branch1][C][N][=O]
|
CHEMBL507884
|
[C][N][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]
|
CHEMBL507894
|
[C][C][=Branch1][C][=O][O][C][C@][O][C][=C][C][=C][Branch2][Branch1][Ring1][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][C@@H1][Branch1][C][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@][Ring1][N][Branch1][Branch2][C][O][C][Branch1][C][C][=O][O][Ring2][Ring1][Branch2][C][Branch1][C][O][=C][Ring2][Ring2][C][C][=Branch1][C][=O][C][Ring2][Ring2][#Branch1][=C][Branch1][C][O][C][C@@H1][Branch1][C][C][C@H1][Ring2][Ring2][=N][O][C][Branch1][C][C][=O]
|
CHEMBL507896
|
[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][O][/C][=Branch1][#Branch2][=N][\C][=C][C][=C][C][=C][Ring1][=Branch1][S][S][/C][=Branch1][#Branch2][=N][/C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O]
|
CHEMBL507897
|
[O][C][=C][C][=C][Branch2][#Branch1][Branch1][C][=C][N][=C][Branch2][=Branch1][=Branch2][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][C][=C][C][Branch1][Ring2][NH1][Ring1][Branch1][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=N][C][=Branch2][Ring1][=Branch2][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Ring2][Ring2][Branch2][NH1][Ring1][Branch1][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring2][N][C][=C][Ring2][Branch1][Ring1]
|
CHEMBL507903
|
[C][C][N][Branch2][Branch1][#C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][C][C][C][C][C][N][Branch1][Ring1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][C][=Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][=N][C][Ring2][Ring1][P][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C]
|
CHEMBL508159
|
[C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C@H1][Branch2][Ring1][=C][C][C][=C][C@H1][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][C][C@@][Branch1][C][C][Branch1][Ring1][O][C][C@@H1][Ring1][N][C][C][Ring1][S][N][Branch1][C][C][C][=C][Ring2][Ring1][O][C][=C][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][=Branch1][O][C][O][Ring1][#Branch1]
|
CHEMBL503315
|
[C][C][Branch1][C][C][=C][N][C][C][=C][Branch1][C][C][C][=C][C][NH1][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Ring1][O][=Ring1][=Branch1][C][C@@H1][Ring1][#C][C]
|
CHEMBL501589
|
[C][C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=Branch1][C][=N][N][C][C][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1]
|
CHEMBL501682
|
[C][C@@H1][O][C@@H1][Branch2][=Branch1][P][O][C@H1][C@H1][Branch2][Branch1][S][O][C@H1][C][C][C@@][Branch1][C][C][C@@H1][Branch2][Ring2][O][C][C][C@][Branch1][C][C][C@@H1][Ring1][Branch2][C][C][=C][C@@H1][C][C][Branch1][C][C][Branch1][C][C][C][C][C@][Ring1][Branch2][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C@][Ring1][#C][Ring2][Ring1][Ring2][C][C@][Ring2][Ring1][=C][Branch1][C][C][C][O][O][C][C@H1][Branch1][C][O][C@@H1][Ring2][Ring2][=Branch2][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][=C][O]
|
CHEMBL501687
|
[C][C][N][=C][C][=Branch1][C][=O][NH1][C][=Ring1][#Branch1][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][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][N][C][=Branch1][C][=O][N][C][C][C][C][Ring2][Ring2][S]
|
CHEMBL499568
|
[C][C][C][=C][C][=C][Branch1][=N][C][C][=N][NH1][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][Branch1][C][F][=C][Ring1][#C][O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2]
|
CHEMBL499925
|
[C][O][/C][Branch1][C][C][=C][/N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C][=C][S][C][=Branch1][Ring2][=N][Ring1][Branch1][C][=C][C][Branch1][C][O][=C][Branch2][Ring2][Ring2][C][=N][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][N][=C][S][Ring2][Ring1][Ring1][N][=C][Ring2][Ring1][#Branch2][C][=C][S][C][=Branch1][Ring2][=N][Ring1][Branch1][C@@H1][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][O][C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][#Branch2][O][C@H1][C][C@][Branch1][C][C][Branch1][C][O][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Branch1][C][C][O][Ring1][N][C@@H1][Branch1][=Branch1][O][C][Ring2][Ring1][=C][C@H1][Branch1][S][N][C][=Branch1][C][=O][C][=C][S][C][Ring2][#Branch1][O][=N][Ring1][Branch1][C][=N][C][=Branch1][Branch1][=C][S][Ring1][Branch1][C][=Branch1][C][=O][N][Ring2][Branch1][Branch1]
|
CHEMBL499926
|
[C][C][C@H1][Branch1][C][C][C@H1][Branch1][C][N][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][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@H1][Branch2][O][=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][Ring1][C][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@H1][Branch2][#Branch1][Ring1][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][C][Cl][C@@H1][Branch1][C][C][O][C][Branch1][C][C][C][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O]
|
CHEMBL499931
|
[C][C][Branch1][C][C][C][C@H1][Branch2][=Branch2][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring2][N][=C][=S][=C][C][=C][Ring1][=Branch2][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][S][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][Branch1][C][N][=O]
|
CHEMBL499957
|
[C][S][C][C][C@H1][Branch2][#Branch1][#C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch2][=Branch1][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][#Branch1][N][C][=Branch1][C][=O][C][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][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][O][C][Branch1][C][C][C][C@@H1][Branch1][C][C][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][Branch2][#Branch1][P][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][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][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][O]
|
CHEMBL499959
|
[C][O][C][=C][C][Branch2][=Branch1][Branch1][C][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][C][=Ring1][=N][O][C@@H1][O][C@H1][Branch2][Ring1][Branch1][C][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][Ring2][O][C][Branch1][C][C][=O][=C][C][=C][Ring2][Ring2][N][O]
|
CHEMBL499961
|
[C][N][C][C][N][Branch2][=Branch1][O][C][=C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring2][=C][C][=C][C][=C][Branch2][Ring2][C][C][N][C][C][C][Branch2][Ring1][Branch1][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][N][N][=C][Ring1][#Branch1][NH1][Ring1][N][C][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch2][=N][C][Ring2][Ring2][Branch1][=N][Ring2][Ring2][=Branch2][C][C][Ring2][Ring2][#C]
|
CHEMBL154357
|
[O-1][S+1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][N][Ring1][=Branch2][C][C][C][Ring1][Ring1]
|
CHEMBL504055
|
[C][C][O][C][=Branch1][C][=O][C][C][C][C@@H1][C][C@H1][C][C@][Branch1][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][Branch2][Ring2][Branch1][O][C][=C][C][=C][Branch1][O][C][Branch1][C][O][=C][Ring1][#Branch1][Ring2][Ring1][Ring1][C][=Branch1][C][=O][C][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][S][O][Ring2][Ring1][P]
|
CHEMBL500483
|
[C][C][C@H1][Branch1][C][C][C@H1][Branch3][Ring1][Ring1][Ring2][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][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][O][C][C][C][C][N][C][Branch1][C][C][=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][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch2][=Branch2][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch2][=Branch1][#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][Branch2][Ring2][S][N][C][=Branch1][C][=O][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][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][N][=C][NH1][Ring1][Branch1][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][O][C][Branch1][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][Branch1][C][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][Branch1][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][Branch1][C][N][=O][C][Branch1][C][C][C]
|
CHEMBL500495
|
[C][O][C][=C][C][=C][Branch2][Branch1][S][/N][=C][Branch2][Ring1][Branch1][\O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][S][S][/C][=Branch1][=C][=N][/C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring2][S]
|
CHEMBL500508
|
[C][O][C][=C][C][Branch2][Branch1][#C][C@@H1][C][=C][C][=C][Branch2][Ring2][P][C][=C][Ring1][=Branch1][C@@H1][Branch2][Ring1][N][N][C][=C][Branch2][Ring1][C][C][N][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][N][=N][Ring1][S][C@H1][C][O][C][=Branch1][C][=O][C@@H1][Ring1][=Branch1][Ring2][Ring1][=C][O][C][O][Ring2][Ring1][=C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][=Branch2][O]
|
CHEMBL500773
|
[C][C@H1][Branch2][=Branch1][Ring2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][S][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][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][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][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][N][=O][C][=Branch1][C][=O][O]
|
CHEMBL500782
|
[C][C][=Branch1][C][=O][O].[O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][Branch2][Ring1][P][C][C][C][C][O][C][C][C][C][C][C][N][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][C][O][=C][Ring1][=Branch2][=C][Ring2][Ring1][=C]
|
CHEMBL500788
|
[C][C][Branch1][C][C][C][C@H1][Branch2][#Branch2][Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][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][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch2][=Branch1][Ring2][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][Ring1][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][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][Branch1][C][N][=O][C][Branch1][C][C][Branch1][C][C][S][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][O]
|
CHEMBL541483
|
[C][C][Branch1][C][C][N][C][C][C][Branch2][Ring1][#C][O][C][=C][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][Ring1][=C][=C][Ring2][Ring1][C][C][C][Ring2][Ring1][=Branch2]
|
CHEMBL545402
|
[C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][NH1][C][=C][Branch1][P][O][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][C][=Branch1][#Branch1][=C][Ring2][Ring1][#Branch1][Ring1][S][C@H1][Branch1][Ring1][C][Br][C][N][Ring1][Branch2][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][NH1][Ring1][#C].[Cl]
|
CHEMBL547643
|
[C][C][N][Branch1][Ring1][C][C][C][C][N][Branch2][Ring1][#C][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][S][C][=Branch1][C][=O][C][N][C][=C][Branch1][S][C][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1]
|
CHEMBL547407
|
[C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C]
|
CHEMBL1163197
|
[C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][C][C][N][Branch2][Ring1][P][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=N][C][C][Ring2][Ring1][N]
|
CHEMBL525771
|
[C][O][C@H1][C][C@H1][Branch2][#Branch1][#Branch1][O][C@H1][C@@H1][Branch1][Ring1][O][C][C][C@H1][Branch2][=Branch1][Branch1][O][C@H1][C][C][C@@][Branch1][C][C][C][=Branch2][Branch1][Branch1][=C][C][C@][Branch1][C][O][C@@H1][Ring1][Branch2][C][C@@H1][Branch1][S][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C@][Branch1][C][C][C@@][Branch1][C][O][Branch1][=Branch1][C@H1][Branch1][C][C][O][C][C][C@][Ring2][Ring1][#Branch2][Ring1][#Branch2][O][C][Ring2][Ring2][Ring2][O][C@@H1][Ring2][Ring2][=N][C][O][C@H1][Branch1][C][C][C@H1][Ring2][Branch1][=Branch1][O][C@H1][C][C@H1][Branch1][Ring1][O][C][C@H1][Branch2][Ring2][#Branch2][O][C@@H1][O][C@H1][Branch2][Ring1][=Branch1][C][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][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][Branch1][O][C@@H1][Branch1][C][C][O][Ring2][Ring1][S]
|
CHEMBL526157
|
[C][=C][C@@H1][C][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][C@@][C][O][C@@][Branch1][C][O][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C@@H1][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C@@H1][Ring1][=C][O][C][Branch1][C][C][=O][C@][Ring2][Ring1][Ring2][Branch1][Branch1][C][Ring2][Ring1][N][C@@H1][Ring2][Ring1][=C][O][C][Branch1][C][C][=O]
|
CHEMBL4116100
|
[C][O][C][=C][C][=C][C][=N][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][C][Ring1][=C][=C][NH1][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL503357
|
[O][=C][Branch1][Ring1][C][Cl][N][C][=C][N][Branch1][#Branch2][C][O][C][Branch1][Ring1][C][O][C][O][C][=Branch1][C][=O][NH1][C][Ring1][=C][=O]
|
CHEMBL503370
|
[C][C][=C][O][C][=C][Branch1][C][C][C][=C][C][Branch2][=Branch1][Branch2][C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][C@H1][Branch1][C][O][C@H1][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C@@H1][Ring2][Ring2][C][C][=C][Ring2][Ring2][=N][N][=C][Ring2][Ring2][P][C][Branch2][Branch1][=C][C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][O][C@@H1][Ring2][Ring1][=C][C][=C][Branch1][C][N][C][Ring2][#Branch1][Branch2][=O]
|
CHEMBL503373
|
[C][/C][=C][/C][=Branch1][C][=O][O][C@H1][C][=Branch1][C][=O][C@][Branch1][C][C][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][O][C][C@@][Ring1][Ring2][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Ring2][Ring1][=Branch1][C@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@][Branch1][C][O][C][C@H1][Branch2][Ring2][C][O][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Branch1][#C][C][Ring2][Ring1][=N][Branch1][C][C][C]
|
CHEMBL503376
|
[N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][Branch1][C][Br][N][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL503459
|
[C][N][C][C][C][Branch2][=Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch2][Branch1][C][N][C][C][C][C][C][C][C][C][N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][Ring2][Ring1][Branch2][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring2][S][Ring2][Ring2][N][C][C][Ring2][Branch1][=Branch2]
|
CHEMBL503461
|
[C][C][Branch1][C][C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][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][N][C][=Branch1][C][=O][C@@H1][C][S][S][C][C@H1][Branch1][#Branch1][N][C][Ring2][Ring2][Branch1][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][S][S][C][C@H1][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][Branch1][C][N][=O][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring2][Branch1][=C]
|
CHEMBL503463
|
[C][C][=C][C@@H1][Branch2][Branch1][=Branch1][C@@H1][Branch1][C][O][C@@H1][Branch1][C][C][C@H1][C][C][=C][C@@H1][C][C][C@H1][C][Branch1][C][C][Branch1][C][C][O][C@@H1][C][C][=Branch1][C][=O][O][C@][Ring1][O][Ring1][=Branch1][C][C@@][Ring1][S][Branch1][C][O][C][C][C@@][Ring2][Ring1][Branch1][Ring2][Ring1][Branch2][C][O][C][Ring2][Ring2][C][=O]
|
CHEMBL503466
|
[C][C][C@H1][Branch1][C][C][C@@H1][Branch2][=Branch1][Ring2][C@@H1][Branch2][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C@H1][Branch1][Ring1][O][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][=Branch1][/C][=C][\C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][Ring2][=C][Ring1][Branch2][O][C][O][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring1][O][C][O][C][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][Branch1][C][C][C][C][Branch1][C][C][C]
|
CHEMBL503467
|
[C][C][Branch1][C][C][C][C][C][C@@H1][Branch1][C][C][C@H1][C][C][C@H1][C@@H1][/C][=Branch1][#C][=N][/N][C][=Branch1][C][=S][N][C][C][C][C][C][Ring1][Branch1][C][=C][C][C@@H1][Branch1][C][Cl][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring2][Ring1][=Branch1][C][C][C@@][Ring2][Ring1][#Branch2][Ring2][Ring1][=N][C]
|
CHEMBL503046
|
[C][N][C][C][C@][Branch2][=Branch1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][N][Branch1][C][C][C][C][C@@][Ring1][=Branch2][C@@H1][N][C][=C][Branch2][Ring1][N][C][=C][C][=C][Ring1][=Branch1][C@][C][C][N][Branch1][C][C][C@H1][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C@][Ring2][Ring1][N][Ring2][Ring1][#Branch1][C][C][N][Ring2][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C@H1][Ring2][Branch1][Ring1][Ring2][Ring2][S]
|
CHEMBL503047
|
[C][C@H1][Branch2][=Branch1][Ring1][N][C][=Branch1][C][=O][C@H1][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][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][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][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O]
|
CHEMBL503058
|
[C][O][C@H1][C@H1][Branch2][=Branch1][=N][O][C][C@@H1][O][C@@H1][Branch2][Branch1][N][O][C@@H1][Branch2][Branch1][C][C][C][C@@H1][Branch1][C][C][C@H1][C][C@@H1][Branch1][C][O][C@H1][C@][Branch1][C][O][C][C@H1][Branch1][C][O][C][C][C@@H1][Branch1][C][O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][=C][C][C][C@@][Ring2][Ring1][C][Ring2][Ring1][=Branch1][C][C][Branch1][C][C][C][C@H1][Branch1][C][O][C@H1][Ring2][Ring2][=Branch1][O][O][C][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring2][S][O]
|
CHEMBL503272
|
[C][C][Branch1][C][C][C][C@H1][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][C][Branch1][C][N][=O]
|
CHEMBL1204471
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][=N][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL503286
|
[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][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch2][Branch2][N][N][C][=Branch1][C][=O][C@H1][Branch2][#Branch1][=N][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][C][N][N][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch2][Branch1][Branch2][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][#Branch2][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][N][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][C][Branch1][C][C][C][C][Branch1][C][C][C][C@H1][Branch1][C][C][C][C][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][Ring2][Branch2][#Branch1][=O]
|
CHEMBL504059
|
[C][C][C@H1][Branch1][C][C][C@H1][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL504067
|
[C][=C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C@@H1][C@@H1][C@H1][Branch2][Branch1][=Branch1][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][P][C][N][C][=Branch1][C][=O][C][C][N][Branch1][C][C][C][Ring1][Branch2][=O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][#C][Branch1][C][C][C]
|
CHEMBL504214
|
[C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][Branch2][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N][C][=N+1][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=Branch1][O][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][N+1][=C][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Ring2][=Branch1][=N][=O].[Br-1].[Br-1]
|
CHEMBL504216
|
[C][C][Branch1][C][C][C][C][C@][Branch2][Ring1][Branch1][C][=Branch1][C][=O][O][C@@H1][O][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C][C][C@][Branch1][C][C][C][=Branch2][Branch1][=C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][=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@@][Branch1][C][C][Branch1][Ring1][C][O][C@@H1][Ring2][Ring1][#Branch1][C@H1][Branch1][C][O][C][C@][Ring2][Ring1][N][Ring2][Ring1][P][C][C@@H1][Ring2][Branch1][C][C][Ring2][Branch1][#Branch1]
|
CHEMBL504397
|
[C][C][Branch1][C][C][C][C][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C][=Branch2][Ring2][P][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][S][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][Ring2][C][C][C@][Ring2][Ring1][Branch2][Ring2][Ring1][=N][C][C@@H1][Ring2][Ring2][Branch1][C][Ring2][Ring2][#Branch2]
|
CHEMBL504398
|
[O][=C][Branch2][Branch1][#Branch2][N][C][=C][C][=C][C][Branch2][Ring2][=N][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=C][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][=C][Ring1][N][=N][Ring2][Ring1][Ring1][=C][Ring2][Ring2][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]
|
CHEMBL504401
|
[C][C@@H1][O][C@@H1][Branch2][N][Ring1][O][C@H1][C@@H1][Branch1][C][C][O][C@@H1][Branch2][=Branch2][=N][O][C][=Branch1][C][=O][C@][C][C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Ring1][Branch2][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][C@@H1][Branch1][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][Ring2][Branch1][#C][C@H1][Branch1][C][O][C@H1][Ring2][=Branch1][#Branch2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][#Branch1][=C][O][C@@H1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][P][O][C@@H1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@H1][Ring1][P][O]
|
CHEMBL506660
|
[C][=C][Branch2][=Branch1][=Branch2][C][C][C@@H1][Branch1][C][C][C@H1][C][C][C@@][Branch1][C][C][C][=C][Branch1][N][C][C@H1][Branch1][C][O][C@][Ring1][O][Ring1][Branch2][C][C@@][Branch1][C][C][C][C][C@@H1][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][C][C@][Branch1][C][C][Branch1][C][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][N][C@H1][Branch1][C][C][C][=Branch1][C][=O][O]
|
CHEMBL506982
|
[C][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][Branch2][C][=N][N][Ring1][Branch1][C][C][=C][Ring1][O][N][C][C][C][O][C][C][Ring1][=Branch1]
|
CHEMBL506990
|
[C][O][C][=C][C][=C][Branch2][N][P][/C][=C][/C][=Branch1][C][=O][O][C@@H1][C@H1][Branch1][C][O][C@@H1][Branch2][Branch1][#Branch2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch2][Ring2][=Branch1][O][C@@H1][O][C][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][Branch1][C][O][C@H1][Ring2][Ring1][Ring1][O][C@@H1][Branch1][C][O][C@H1][Ring2][Ring1][=N][O][C@H1][Branch2][#Branch1][=C][O][C][=Branch1][C][=O][C@][C][C][C][Branch1][C][C][Branch1][C][C][C][C@@H1][Ring1][Branch2][C][=C][C][C][C@@][Branch1][C][C][C][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][Branch1][C][O][C@@][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Ring2][Ring1][Branch2][C][C][C@@][Ring2][Ring1][N][Branch1][C][C][C@][Ring2][Ring1][P][Branch1][Ring1][C][O][C][C][Ring2][Ring2][=N][O][C@@H1][Ring2][#Branch1][=Branch1][C][C][=C][Ring2][Branch2][C][O][C]
|
CHEMBL502060
|
[C][C][=C][N][Branch3][Ring2][C][Ring2][C@@H1][O][C@@][Branch1][Ring1][C][O][C][O][C@@H1][Ring1][Branch2][C@@H1][Ring1][#Branch1][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@][C][O][C@H1][Branch3][Ring1][=C][N][C@@H1][Ring1][Branch1][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@H1][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@H1][Branch1][C][O][C@@H1][Ring1][S][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@H1][O][C@@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=N][C][=Ring1][Branch2][Ring1][O][C@H1][Branch1][C][O][C@@H1][Ring1][P][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@H1][O][C@@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=N][C][=Ring1][Branch2][Ring1][O][C@H1][Branch1][C][O][C@@H1][Ring1][P][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@H1][O][C@@H1][Branch1][S][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][C@@H1][Ring1][=C][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@H1][O][C@@H1][Branch1][=N][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][C@H1][Branch1][C][O][C@@H1][Ring1][=C][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@H1][O][C@@H1][Branch1][=N][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][C@H1][Branch1][C][O][C@@H1][Ring1][=C][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@H1][O][C@@H1][Branch1][=N][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][C@H1][Branch1][C][O][C@@H1][Ring1][=C][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@H1][O][C@@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=N][C][=Ring1][Branch2][Ring1][O][C@H1][Branch1][C][O][C@@H1][Ring1][P][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@H1][O][C@@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=N][C][=Ring1][Branch2][Ring1][O][C@H1][Branch1][C][O][C@@H1][Ring1][P][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@H1][O][C@@H1][Branch1][S][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][C@@H1][Ring1][=C][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@][C][O][C@H1][Branch2][Ring2][#Branch2][C@@H1][Ring1][Branch1][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@][C][O][C@H1][Branch1][Branch1][C@@H1][Ring1][Branch1][O][C@H1][Branch1][=N][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][O][Ring1][S][C@H1][Branch1][S][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][O][Ring2][Ring2][=Branch1][C@H1][Branch1][S][N][C][=C][Branch1][C][C][C][Branch1][C][N][=N][C][Ring1][Branch2][=O][O][Ring3][Ring1][Ring1][C][C][=Branch1][C][=O][N][=C][Ring3][Ring1][Ring2][Branch2][N]
|
CHEMBL4116107
|
[N][=C][Branch1][C][N][N][C][C][C][C@H1][Ring1][Branch1][C][C][=N][C][Branch2][Ring2][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][S][Ring1][N][C][=C][Ring2][Ring1][Ring1][=N][O][Ring2][Ring1][Branch2]
|
CHEMBL502072
|
[Cl].[Cl][C][=C][C][=C][C][=N][N][Branch1][=Branch2][N][=C][N][C][C][N][Ring1][Branch1][C][=C][Ring1][#C][Ring1][O]
|
CHEMBL502296
|
[O][=C][N][C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][=N][/C][Ring1][N][=C][\C][=C][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]
|
CHEMBL539383
|
[C][/N][=C][Branch1][C][\S][C@][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][C][C][C][S+1][Ring2][Ring1][C][O-1]
|
CHEMBL539392
|
[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][Branch2][Branch1][S][O][C][C][C][C][O][C][C][C][C][O][C][C][C][C][O][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][C][=C][Ring2][Branch1][C]
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.