chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
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CHEMBL15816
|
[C][C][C][=N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][N][Ring1][O][C][C][=C][C][=C][Branch2][Ring1][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL15744
|
[C][C][C][N][Branch2][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][N][=C][Ring1][#Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][N][Ring2][Ring1][=C]
|
CHEMBL15747
|
[C][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][N][Branch1][C][C][C][C][Ring1][Branch2][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl]
|
CHEMBL15748
|
[C][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][N][Branch1][C][C][C][C][S][C][Branch1][Ring1][C][O][=C][C][=Ring1][#Branch1][Ring1][N][C][=C][Ring2][Ring1][C]
|
CHEMBL15749
|
[C][O][C][=C][C][=C][Branch2][Branch1][N][N][Branch2][Branch1][Ring1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][N][C][Branch1][C][C][C][C][=C][Ring2][Ring2][=Branch2]
|
CHEMBL296000
|
[O][=N+1][Branch1][C][O-1][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring1][Branch2][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][Branch1][C][O][=C][Branch1][C][O][C][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1]
|
CHEMBL15498
|
[O][=C][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][=C][C][=C][N][Ring1][P][C][Branch1][N][C][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL15499
|
[C][C@H1][C][N][Branch2][Ring1][=Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][C@@H1][Branch1][C][C][N][Ring2][Ring1][Ring2]
|
CHEMBL15585
|
[C][O][C][=C][C][Branch1][C][N][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][N][C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][C][Ring1][O]
|
CHEMBL15587
|
[C][O][C][=C][C][Branch1][C][N][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][N][Ring1][=Branch1][C][Ring1][=Branch2]
|
CHEMBL15588
|
[C][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][N][Branch1][C][C][C][C][S][C][Branch1][C][Cl][=C][C][=Ring1][=Branch1][Ring1][O][C][=C][Ring1][P]
|
CHEMBL15589
|
[C][N][C][C][S][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][S]
|
CHEMBL15797
|
[C][=C][N][=C][C][=N][Ring1][=Branch1]
|
CHEMBL15892
|
[C][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][N][Branch1][C][C][C][C][Ring1][Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL15893
|
[C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][C][C][O][C][Ring1][Branch1][=O][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL15894
|
[C][C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][Branch1][C][F][=C][Branch1][#C][N][C][C][Branch1][C][C][N][C][Branch1][C][C][C][Ring1][Branch2][C][Branch1][C][F][=C][Ring1][P][Ring2][Ring1][=Branch2]
|
CHEMBL15897
|
[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL15817
|
[C][C][C][C][=C][C][Branch2][Ring1][N][O][C][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch1][Ring1][O][C][=C][Ring1][O][C][C][C][=C][C][=C][Ring2][Ring1][=Branch2][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][Ring1][=Branch2]
|
CHEMBL15818
|
[C][=C][Branch2][Ring1][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][N][C][=C][N][=C][Ring1][Branch1]
|
CHEMBL15819
|
[N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL15922
|
[C][N][Branch2][Ring1][Branch2][C][C][C][C][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][C][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O]
|
CHEMBL561
|
[C][C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][N][N][C][C][N][C][Branch1][C][C][C][Ring1][#Branch1][C][Branch1][C][F][=C][Ring1][#C][Ring2][Ring1][#Branch1]
|
CHEMBL15837
|
[C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch1][C][C][C][C][C][=C][NH1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][=N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1]
|
CHEMBL15840
|
[C][N][C][Branch1][S][C][=C][Branch1][C][Cl][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][Cl][=C][C][=C][Branch1][C][Cl][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][Ring2][Ring1][Ring2]
|
CHEMBL15841
|
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
|
CHEMBL15842
|
[N][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][O][C][C][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=C][Ring2][Ring1][C]
|
CHEMBL15590
|
[O][=C][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][O][C][Ring1][Branch1][=O][C][C][C][C][C][C][C][Ring1][=Branch1]
|
CHEMBL15591
|
[N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][N][=C][N][=C][Ring1][#Branch1][O][Ring1][=C]
|
CHEMBL15335
|
[C][C][Branch1][C][C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][O][N][C][C][C][Branch1][C][N][C][Ring1][=Branch1][C][=C][Ring1][=N][Ring2][Ring1][Branch1]
|
CHEMBL15337
|
[O][=S][=Branch1][C][=O][Branch1][C][O][C][C][C][C][C][C][N][C][=C][N][=C][Ring1][Branch1]
|
CHEMBL16056
|
[O][=C][Branch1][O][N][C][C][C][C][C][C][C][Ring1][=Branch1][O][C][C][C][C][=C][NH1][C][=N][Ring1][Branch1]
|
CHEMBL16058
|
[O][=C][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][P][O][C][O][Ring1][#Branch1]
|
CHEMBL16059
|
[C][C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][Branch1][N][C][=N][N][C][=Branch1][C][=O][C][C][Ring1][#Branch1][C][=C][Ring1][=N][C][=C][C][=N][C][=C][Ring1][=Branch1]
|
CHEMBL3309272
|
[C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]
|
CHEMBL15924
|
[O][=C][Branch2][Ring1][Ring1][O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@][O][C@][Ring1][Ring1][C][C][C][C@@H1][Ring1][#Branch1][C][#C][/C][=C][\C][#C][C@H1][Ring2][Ring1][Branch1][Ring1][N]
|
CHEMBL16014
|
[O][=C][Branch1][N][C][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][O][C][Ring1][Branch1][=O]
|
CHEMBL16015
|
[O][=C][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][O][C][Ring1][Branch1][=O]
|
CHEMBL15844
|
[C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2]
|
CHEMBL576
|
[O][=C][Branch1][C][O][C][C][C][=Branch1][C][=O][O]
|
CHEMBL564
|
[C][N][Branch1][C][C][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C]
|
CHEMBL15847
|
[C][C][C][C][C][=C][C][Branch2][Ring1][=Branch2][C][N][C][Branch1][Ring1][C][C][=N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][Ring1][=N][=C][C][=C][Ring2][Ring1][Ring2][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL15848
|
[C][C][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][=Branch1][C][=O][N][C][C][O]
|
CHEMBL15849
|
[C][C][C][Branch1][C][C][=O]
|
CHEMBL3310426
|
[C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch1][C][C][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring2][=N][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][=N][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][P][C][C][C@][Ring2][Ring1][Branch1][Ring2][Ring1][#Branch2][C][C@@H1][Ring2][Ring2][Ring1][Ring2][Ring1][S]
|
CHEMBL15339
|
[O][=C][Branch1][C][O][C][=C][N][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=C][Branch1][C][F][C][=C][Ring1][=N][C][Ring2][Ring1][=Branch2][=O]
|
CHEMBL15420
|
[C][O][C][=C][C][=C][Branch2][Branch1][Branch1][N][Branch2][Ring2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1][C][Branch1][C][C][C][C][=C][Ring2][Ring2][Ring2]
|
CHEMBL15422
|
[C][N][C][C][S][C][Branch1][C][Br][=C][C][=Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S]
|
CHEMBL15423
|
[C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=Ring2][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL16061
|
[F][C][=C][C][=C][C][Branch2][Ring1][O][C][N][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1]
|
CHEMBL15703
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][C][Branch1][C][O][=N][Ring1][N]
|
CHEMBL15704
|
[C][=C][Branch2][Ring1][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][N][C][=C][N][=C][Ring1][Branch1]
|
CHEMBL15705
|
[C][C][Branch1][C][C][C@H1][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL15706
|
[C][O][C][=C][C][=C][C][=C][Branch1][C][O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][P][Ring1][=N]
|
CHEMBL16016
|
[O][=C][C][=C][C][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][Branch1][C][Cl][O][Ring2][Ring1][C]
|
CHEMBL16018
|
[C][C][C][C][=C][C][Branch2][Ring1][=Branch2][C][N][C][Branch1][Ring1][C][C][=N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][Ring1][=N][=C][C][Branch1][Ring2][C][C][C][=C][Ring2][Ring1][#Branch1][O][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
|
CHEMBL16019
|
[C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][Ring1][#Branch2][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][O]
|
CHEMBL15727
|
[C][C][=Branch1][C][=O][O-1].[N][C][=C][C][=C][N][=C][C][=C][C][Branch1][C][N][=C][C][Ring1][#Branch1][=S+1][C][Ring1][O][=C][Ring1][#C]
|
CHEMBL15729
|
[C][=C][C][C][=C][C][Branch2][Ring1][=Branch2][C][N][C][Branch1][Ring1][C][C][=N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][Ring1][=N][=C][C][Branch1][C][Cl][=C][Ring2][Ring1][Branch1][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL15730
|
[C][C][C][=N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][N][Ring1][O][C][C][=C][C][=C][Branch2][Ring1][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][C]
|
CHEMBL16039
|
[O][=C][C][=C][Branch2][Branch1][=Branch2][O][C][Branch1][C][O][=C][Ring1][#Branch1][C][Branch2][Ring2][Branch2][C][=C][C][=C][C][Branch2][Ring1][N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][=C][Ring2][Ring1][Branch1][C][C][C][Ring1][Ring1][C][C][C][C][C][C][Ring2][Ring2][Branch1]
|
CHEMBL16044
|
[C][C][C][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][C][C][C][C][C][C][C][C][C][C][N]
|
CHEMBL3310651
|
[C][C][=C][C][=C][C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][Branch1][C][O][C][Ring2][Ring1][Ring1][=N][Ring2][Ring1][#Branch1]
|
CHEMBL15424
|
[C][O][C@@H1][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][Branch1][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][S][C][Ring1][=C]
|
CHEMBL15500
|
[C][C][Branch2][Ring2][=N][C][C][C][Branch1][=Branch2][S][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][/C][=C][/C][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=N][Ring1][O][=C][Ring2][Ring1][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C]
|
CHEMBL15501
|
[N][C][C][C][C@H1][Branch1][C][N][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][=C][C][C][C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][C][N][N][Ring2][Ring1][C][N][C][=Branch1][C][=O][/C][=Branch1][Branch2][=C][/N][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][Branch1][Ring1][C][O][N][C][Ring2][Ring2][#C][=O]
|
CHEMBL15502
|
[O][C][=N][C][=C][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][O][Ring1][S]
|
CHEMBL15503
|
[C][C][C][C][/C][=Branch1][N][=N][\N][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][Ring1][#Branch2][Ring2][Ring1][#Branch1]
|
CHEMBL15504
|
[C][N][C][C][C][C][N][Branch2][Ring1][P][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=N][C][Branch1][C][C][C][C][Ring2][Ring1][#Branch1]
|
CHEMBL15707
|
[C][C][C][N][Branch2][Ring2][Branch2][C][=C][Branch1][C][F][C][Branch1][C][N][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][=N][=C][Ring2][Ring1][Ring1][F][C][C][N][Ring2][Ring1][#Branch2]
|
CHEMBL15799
|
[C][=C][Branch1][C][C][C][C][C][=C][Branch1][C][C][C][C][Ring1][#Branch1]
|
CHEMBL3310303
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][C][=C][C][=C][N][Ring1][#Branch2][Ring1][=Branch1]
|
CHEMBL15731
|
[C][C][C][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][N][Branch1][C][C][C][C][Ring1][Branch2][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]
|
CHEMBL15732
|
[C][C][=C][C][=C][C][=N][Ring1][=Branch1]
|
CHEMBL22587
|
[C][C][C][Branch1][C][C][N][N][=C][N][Branch2][=Branch1][#Branch1][C][=C][C][=C][Branch2][Branch1][O][N][C][C][N][Branch2][Ring2][#C][C][=C][C][=C][Branch2][Ring2][Ring1][O][C][C@H1][C][O][C@][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][O][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][O][C][C][Ring2][Ring1][P][C][=C][Ring2][Ring2][#Branch1][C][Ring2][Ring2][N][=O]
|
CHEMBL15820
|
[C][C][C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring1][#Branch2][C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][N]
|
CHEMBL15822
|
[C][C][N+1][Branch1][C][C][Branch1][Ring1][C][C][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1].[I-1]
|
CHEMBL15823
|
[C][=C][C][C@H1][Branch2][=Branch1][Branch2][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][Branch1][C][Cl][N][=C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2][Ring2][Ring2][Ring2][B][O][C][C][C][C][C][Branch1][Branch2][C][Ring1][Ring2][Branch1][C][C][C][C@@][Ring1][=Branch2][Branch1][C][C][O][Ring1][=N]
|
CHEMBL15752
|
[C][C@H1][Branch1][N][C][C][C][C][Branch1][C][C][Branch1][C][C][O][C][C][C][C][/C][=Branch2][Ring1][Ring1][=C][/C][O][O][C][C][=C][Ring1][=Branch1][C][C@@H1][Branch1][C][O][C][C][Ring1][#Branch1][C][C][C][C][Ring2][Ring1][C][Ring2][Ring1][Branch1][C]
|
CHEMBL15753
|
[C][C][=Branch1][C][=O][O][C][C][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][C][=Branch1][C][=O][=O]
|
CHEMBL15754
|
[C][N][Branch1][C][C][C][=C][C][=C][Branch1][P][N][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=C][Ring1][S]
|
CHEMBL15755
|
[C][C][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][=Branch1][C][=O][N][C]
|
CHEMBL15756
|
[C][C][C][C][O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1]
|
CHEMBL15505
|
[C][C][N][C][C][C][C][N][Branch2][Ring1][P][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][N][=C][Ring1][#Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=C][C][C][C][Ring2][Ring1][#Branch1]
|
CHEMBL15592
|
[C][C][N][C][C][C][C][N][Branch2][Ring1][P][C][=C][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][Ring1][C][C][C][Ring1][N][=C][Ring1][P][Cl][C][Ring2][Ring1][#Branch1]
|
CHEMBL15593
|
[C][C][Branch1][C][C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][C][C][=C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][=Branch2]
|
CHEMBL15594
|
[C][C][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL15802
|
[C][C][Branch1][C][C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][=Branch1]
|
CHEMBL15803
|
[O][=C][Branch1][C][O][C][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Branch1][C][F][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=C][Branch1][C][F][C][Branch1][C][O][=C][Ring1][#C][C][Ring2][Ring1][=Branch1][=O]
|
CHEMBL15900
|
[C][N][Branch1][C][C][C][C][S][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][S]
|
CHEMBL15901
|
[N][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=C][Ring1][=N]
|
CHEMBL15903
|
[C][N][Branch1][C][C][C][C][S][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C]
|
CHEMBL15825
|
[Cl][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][N][C][C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]
|
CHEMBL15926
|
[C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C]
|
CHEMBL15928
|
[C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][O][C][=N][O][C][Branch1][C][C][=N][Ring1][=Branch1][C][=C][Ring1][N][C][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1]
|
CHEMBL506981
|
[C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][N][C][Ring1][#Branch1][=N][N][Ring2][Ring1][Branch1][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1]
|
CHEMBL15945
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=N][/C][=C][\N][C][=Branch1][C][=S][N][C][Ring1][=Branch1][=O][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][C][O]
|
CHEMBL15946
|
[C][C][O][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][=C][S][Ring1][P]
|
CHEMBL15947
|
[C][N][Branch2][Ring1][Ring1][C][C][O][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][C][C][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O]
|
CHEMBL15948
|
[C][C][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][O]
|
CHEMBL15949
|
[C][N][C][C][S][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=Ring1][Branch2][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring1]
|
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