chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
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CHEMBL7538
|
[C][O][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][=C][C][=C][C][=C][Ring1][=Branch1][Br]
|
CHEMBL7539
|
[C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][N][C][C][Branch1][C][O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][#Branch1][O][C]
|
CHEMBL1163180
|
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=S][S][C][Branch1][#Branch1][C][C][Branch1][C][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL7540
|
[O][=C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2]
|
CHEMBL7541
|
[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C]
|
CHEMBL7470
|
[C][N][C][=Branch1][C][=O][N][C][C][Branch2][Ring2][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][Branch1][C][C][C][C][=C][N][=C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][C][Ring1][Branch2][=N][Ring1][N][C][=C][Ring2][Ring1][Branch1][C][=Branch1][C][=O][O]
|
CHEMBL7471
|
[C][C][C][Branch1][P][N][C][=Branch1][C][=O][C][C][C][Branch1][C][N][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]
|
CHEMBL453
|
[C][C][=N][O][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][=C][Ring1][S][C]
|
CHEMBL7558
|
[O][=C][N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S]
|
CHEMBL7559
|
[C][/C][=C][/C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][Ring1][#C]
|
CHEMBL7560
|
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Branch2][Ring1][Branch1][C][C][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][Ring2][Ring1][Branch1][=O]
|
CHEMBL7582
|
[C][C][Branch1][C][C][Branch1][C][C][N][C][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring2][Ring1][Ring1][Ring1][#Branch2]
|
CHEMBL7942
|
[O][=C][Branch1][C][O][C][C][=Branch1][C][=O][O]
|
CHEMBL7944
|
[Cl][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL7945
|
[N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][Ring2][Ring1][C]
|
CHEMBL7946
|
[N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][C]
|
CHEMBL7600
|
[C][O][C][C][=Branch1][C][=O][O][C][=C][C][=C][NH1][C][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2]
|
CHEMBL7601
|
[C][=C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][C][O][Ring1][=Branch2]
|
CHEMBL7602
|
[C][O][C][=C][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][NH1][C][Ring1][S][=C][Ring2][Ring1][Ring2]
|
CHEMBL7603
|
[C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][#C]
|
CHEMBL7604
|
[C][C][=C][C][Branch1][P][S][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][=C][Branch1][C][C][C][=C][Ring1][P][O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O]
|
CHEMBL7340
|
[O][=C][Branch1][C][O][C][C][C][=C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][O][C][=Ring1][N][C][Branch1][C][Cl][=C][Ring1][P][O][Ring2][Ring1][Ring2]
|
CHEMBL3310916
|
[C][C][C][N][Branch1][Ring2][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][#C]
|
CHEMBL7624
|
[C][N][Branch2][Ring1][=Branch1][C][C][=C][N][=C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][C][Ring1][Branch2][=N][Ring1][N][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][Ring2][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL7625
|
[C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][O][C][=C][C][=C][Branch1][Ring1][C][=O][C][Branch2][Ring1][C][O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL7626
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=N][Ring1][S][C][C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][N][=C][Ring1][Branch2][=N][O][Ring2][Ring1][S]
|
CHEMBL7627
|
[C][O][C][=C][C][=C][Branch2][#Branch1][Ring1][C][C@H1][Branch2][Ring2][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][Branch1][=C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2][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][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Branch1][=Branch2]
|
CHEMBL4553142
|
[C][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][O][C][C][Ring1][=Branch1]
|
CHEMBL4553143
|
[C][C@H1][C][/C][=C][/C@H1][C@@H1][O][C@][Ring1][Ring1][Branch1][C][C][C@@H1][Branch1][C][C][C@H1][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@@][Ring2][Ring1][Branch1][Ring1][=C][O][C][=Branch1][C][=O][O][/C][=C][/C@@][Branch1][C][C][Branch1][C][O][C][Ring2][Ring2][Ring1][=O]
|
CHEMBL3311023
|
[C][C][C][N][Branch1][Ring2][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][N][=C][S][Ring1][Branch1][C][=C][Ring1][=C]
|
CHEMBL7561
|
[O][=C][Branch1][C][O][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=Branch1][C][=O][O]
|
CHEMBL1163182
|
[C][N][C][C][C][O][/N][=C][\C][C][C@][Branch1][C][C][C@H1][C][C][C@][Branch1][C][C][C][=Branch1][C][=O][C][C][C@H1][Ring1][#Branch1][C@@H1][Ring1][O][C][C@H1][Branch1][Ring2][C][O][C][C@H1][Ring2][Ring1][Ring1][C][Ring2][Ring1][#Branch1].[O][=C][Branch1][C][O][/C][=C][/C][=Branch1][C][=O][O]
|
CHEMBL1782793
|
[N][#C][C][=C][C][=C][Branch2][Ring1][P][N][C][C][C][Branch2][Ring1][Branch1][N][C][C][C][=Branch1][C][=O][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL7647
|
[O][C][=C][C][=C][C][=Branch1][S][=C][Ring1][=Branch1][C][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][Ring1][S]
|
CHEMBL7648
|
[C][C][=C][C][Branch1][C][C][Branch1][C][C][N][Branch1][C][C][C][=N][C][=C][Branch1][S][/C][=C][/C][Branch1][C][C][=C][\C][=N][\N][=C][Branch1][C][/N][S][C][=C][Ring1][P][Ring2][Ring1][Branch2]
|
CHEMBL7649
|
[C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=N][N][P][=Branch1][C][=O][Branch1][C][O-1][O-1].[Na+1].[Na+1]
|
CHEMBL7947
|
[O][=C][C@@H1][Branch2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][N][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][C][N][Ring2][Ring1][Ring1][C][C][C][=C][NH1][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][=Branch2]
|
CHEMBL7675
|
[O][C][=C][C][=C][Branch1][#C][C][=C][Ring1][=Branch1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][#C]
|
CHEMBL7678
|
[O][C][=C][C][=C][Branch1][S][C][=C][Ring1][=Branch1][S][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][S]
|
CHEMBL7679
|
[O][=C][Branch1][C][O][C][C][=N][N][Branch1][=C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1]
|
CHEMBL7341
|
[C][C][Branch1][C][C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][N][Ring1][=Branch2][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1]
|
CHEMBL7342
|
[C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][C][C][Ring1][P]
|
CHEMBL7343
|
[C][/C][=Branch1][=C][=C][\C][N][O][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][O][C][=Ring1][#C][C]
|
CHEMBL1163170
|
[C][C@@H1][C][C][C@H1][Branch1][C][O][C@][Branch1][C][O][C][C][C@H1][Branch1][#Branch1][C][=C][C][Ring1][Ring1][=O][C][C@@][Ring1][S][Ring1][O][C]
|
CHEMBL7344
|
[C][N][Branch1][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1]
|
CHEMBL7427
|
[N][C][=N][C][Branch1][C][N][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][C][Ring2][Ring1][C][=N][Ring2][Ring1][#Branch1]
|
CHEMBL7360
|
[C][/C][=Branch1][=C][=C][\C][N][O][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][C][Ring1][#Branch1][=C][Ring1][O][=C][Ring2][Ring1][Ring1]
|
CHEMBL7361
|
[C][/C][=Branch1][=C][=C][\C][N][O][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=O][C][=C][C][=C][C][Branch2][Ring2][C][O][C][C][N][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][N][O][C][=Ring1][P][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL7362
|
[C][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
|
CHEMBL7363
|
[C][C][C][C][N][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][#Branch1][C][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][#Branch1][C][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][O]
|
CHEMBL7365
|
[C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Branch1][Branch1][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][Ring1][C][C][C@][Ring2][Ring1][#Branch1][Ring2][Ring1][N][C][C@@H1][Ring2][Ring2][#Branch1][Ring2][Ring2][Ring2]
|
CHEMBL7366
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=Branch2][C][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL3311028
|
[C][C][C][N][Branch1][Ring2][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring1][S]
|
CHEMBL7650
|
[C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][Ring1][#C]
|
CHEMBL7651
|
[N][=C][Branch1][C][N][C][=C][C][=C][C][Branch2][Branch1][Branch1][C][=N][O][C][Branch1][=Branch2][C][N][C][=N][N][=N][Ring1][Branch1][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=N][Ring1][S][C][Ring2][Ring1][=C][=C][Ring2][Ring2][Ring2]
|
CHEMBL7383
|
[C][C][C@H1][C][C@@H1][Branch1][Ring1][C][C][N][C][=C][C][=N][C][Branch1][C][O][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][=C][Ring1][#C][Ring2][Ring1][Branch1]
|
CHEMBL7385
|
[N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring1][P]
|
CHEMBL7681
|
[O][C][=C][C][=C][Branch1][=Branch2][C][C][N][C][C][O][Ring1][=Branch1][C][=C][Ring1][N][O]
|
CHEMBL1163187
|
[C][C][Branch1][C][C][=C][C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch1][Ring1][C][O][C][C@H1][Ring1][#Branch1][O]
|
CHEMBL7771
|
[C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][S][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][Ring1][#C]
|
CHEMBL7772
|
[C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][Ring1][#C]
|
CHEMBL7428
|
[C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][Ring1][#Branch2]
|
CHEMBL1163175
|
[C][C@@H1][Branch2][Branch2][=N][C][C][C@@][Branch1][C][O][O][C@H1][C][C@H1][C@@H1][C][C][=C][C][C@@H1][Branch2][Branch1][O][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch2][Ring1][Ring2][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][Ring2][Ring1][Ring2][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][C][C@][Ring2][Ring2][=Branch1][Branch1][C][C][C@H1][Ring2][Ring2][O][C][C][C@][Ring2][Ring2][#C][Branch1][C][C][C@H1][Ring2][Branch1][Ring1][C@@H1][Ring2][Branch1][#Branch1][C][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]
|
CHEMBL7430
|
[C][N][C][C][C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S][C][C][Ring2][Ring1][=Branch1]
|
CHEMBL7431
|
[C][C][C][C][C][=N][C][=C][N][=N][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#C]
|
CHEMBL7432
|
[C][N][Branch1][C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][NH1][C][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2]
|
CHEMBL3310919
|
[C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][S][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=N][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][C][C][Ring2][Ring1][=Branch2]
|
CHEMBL3310921
|
[N][C][=Branch1][C][=O][N][C][=C][C][=C][NH1][C][=Branch1][C][=O][C][Branch2][Ring1][Branch2][N][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring1][=C][=C][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2]
|
CHEMBL4553578
|
[C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][N][S][Ring1][#Branch1][=C][Ring1][S]
|
CHEMBL4553579
|
[C][C][=C][C][=C][Branch2][Ring1][=C][C][=C][S][/C][=Branch1][N][=N][\C][C][N][C][C][O][C][C][Ring1][=Branch1][N][Ring1][=C][/N][=C][/C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][O][C]
|
CHEMBL4553580
|
[C][O][C][=C][C][=C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][N][Ring1][P][Ring1][=C][C][=C][Ring2][Ring1][N]
|
CHEMBL4553581
|
[C][C][C][C][C][C][C][C][Branch1][C][C][Branch1][C][O][/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][O][C]
|
CHEMBL4553582
|
[C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][/C][=Branch2][Ring1][#Branch2][=N][/N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O][C][=Branch1][C][=O][N][Ring2][Ring1][Branch2]
|
CHEMBL4553583
|
[C][C][N][C][C][N][Branch1][S][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][C][Ring1][P]
|
CHEMBL4553584
|
[O][C][=C][C][=C][Branch2][Ring2][N][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][C][=C][Ring1][S][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][=C]
|
CHEMBL7450
|
[C][N][Branch2][Ring2][=N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][#C][C][=C][C][=C][Branch1][Ring1][N][N][C][=C][Ring1][Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][C][C][C][Ring1][Branch1]
|
CHEMBL7451
|
[O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C@H1][C][C@@H1][O][C@H1][Ring1][Branch1][C@H1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C@@H1][Ring1][#Branch2][Ring1][#Branch1]
|
CHEMBL7452
|
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][C][C][C][=N][C][Branch1][C][N][=N][C][Branch1][C][N][=C][Ring1][Branch2][C][Ring1][N][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL7453
|
[C][C][C][C][=C][C][=Branch1][C][=O][O][C][=C][C][=Branch2][Ring1][=Branch1][=C][C][=Branch1][=Branch1][=C][Ring1][O][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][P][O]
|
CHEMBL7454
|
[C][C][C][C][C][=N][N][=C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][Ring1][S]
|
CHEMBL3142656
|
[C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][Branch1][=N][O][C][C][=C][C][=Branch1][C][=O][NH1][N][=Ring1][#Branch1][C][Ring2][Ring1][Branch1][O]
|
CHEMBL7386
|
[C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL4553606
|
[C][O][C][Branch1][S][C][=Branch1][C][=O][N][C][=C][N][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4553607
|
[C][C][C][C][N][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Branch1][Branch1][O][C][C][C][N][C][=C][Branch2][Ring2][=Branch1][C][C][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][Ring1][#C][=O][N][=N][Ring2][Ring1][N][C][=C][Ring2][Ring2][=Branch1]
|
CHEMBL4553608
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2]
|
CHEMBL7388
|
[C][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=Ring1][Branch2][Ring1][N][=C][Ring1][S]
|
CHEMBL7389
|
[O][=C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][N][C][C][N][Branch2][Ring1][Ring1][C][=N][C][=C][C][=C][Ring1][=Branch1][N][C][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring2][Ring1][C]
|
CHEMBL7472
|
[C][C][C][=N][N][=C][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring2][Ring1][P]
|
CHEMBL7473
|
[O][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][C][C][Ring2][Ring1][C][C][C][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N]
|
CHEMBL7857
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=N][C][C][Branch1][N][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][O][Ring1][N][=C][Ring2][Ring1][C]
|
CHEMBL7858
|
[C][C][Branch1][C][C][C][C][C@][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][C@][Branch1][C][C][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][C][=C][C@@][Ring1][Branch2][Branch1][C][C][C][C][C@H1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][=C][C@][Ring1][S][Ring1][O][C][C][Ring2][Ring1][=C][C][Ring2][Ring2][Ring1]
|
CHEMBL7859
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][C][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][NH1][Ring2][Ring1][Branch1]
|
CHEMBL3143741
|
[C][C][C@H1][Branch1][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][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@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][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][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][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][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Branch2][=C][S][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][=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][C][C][C][N][Ring1][Branch1][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][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][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][=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][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C@@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Branch3][Ring1][N][N][N][C][=Branch1][C][=O][C][Branch2][#C][Ring2][C][C][C][C][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][=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][C][C][C][N][Ring1][Branch1][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][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][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][=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][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][N][C@@H1][Branch1][C][C][C][C][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][=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][C][C][C][N][Ring1][Branch1][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][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][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][=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][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C@@H1][Branch1][C][C][C][C][C][Branch1][C][N][=O]
|
CHEMBL7520
|
[C][S][C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][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][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]
|
CHEMBL7521
|
[N][C][Branch1][P][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][O]
|
CHEMBL7522
|
[O][C@H1][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][C][C][C@H1][Ring2][Ring1][Branch2][C][C][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N]
|
CHEMBL7525
|
[C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=Ring1][Branch2][Ring1][N][=C][Ring1][S]
|
CHEMBL3310935
|
[C][C][=C][N][Branch2][Ring1][=N][C][C][=C][N][Branch2][Ring1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][P][=Branch1][C][=O][Branch1][C][O][O][N][=N][Ring1][=C][C][=Branch1][C][=O][NH1][C][Ring2][Ring1][=Branch1][=O]
|
CHEMBL7542
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][=N][C][Branch1][C][N][=N][C][Branch1][C][N][=C][Ring1][Branch2][C][Ring1][N]
|
CHEMBL7544
|
[O][=C][N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=N][C][=C][N][=C][Ring1][=Branch1][Ring1][S]
|
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