chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
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CHEMBL11739
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O]
|
CHEMBL11822
|
[O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][C][C][Branch1][C][O][=C][Ring2][Ring1][=N]
|
CHEMBL3309309
|
[O][=C][Branch2][Branch1][=C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C@H1][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][S][N][C][C][N][Branch2][Ring1][Ring2][C][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL11845
|
[C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][C][=C][Branch1][O][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O][C][Ring1][N]
|
CHEMBL11846
|
[C][C][/C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][\C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][O][O][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C]
|
CHEMBL11847
|
[C][C][C][NH1][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Branch1][C][O][C][=C][C][Ring1][#Branch1][=N][C][=Ring2][Ring1][C][Ring1][#Branch2]
|
CHEMBL11782
|
[O][=C][Branch1][C][O][C][=C][C][Branch1][C][F][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][C][=C][Ring2][Ring1][=N][O]
|
CHEMBL11783
|
[C][C][=Branch1][C][=O][S][C][C][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Ring1][=Branch2][=O]
|
CHEMBL11869
|
[C][/C][=C][Branch2][Ring1][C][\N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL11871
|
[C][/C][=Branch1][P][=C][/C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL11872
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][N][Branch1][N][C][C][=C][C][=C][C][=N+1][Ring1][=Branch1][C][C][C][Branch1][C][C][=O][C][O][C][Ring2][Ring1][Branch1].[I-1]
|
CHEMBL11873
|
[C][C][=Branch1][C][=O][N][Branch1][C][C][C]
|
CHEMBL11802
|
[C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C@H1][Branch2][Ring1][Ring2][/N][=C][Branch1][Ring2][/N][C][#N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C@H1][Ring2][Ring1][#Branch2][O]
|
CHEMBL11803
|
[C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O]
|
CHEMBL11804
|
[C][N][N][=N][N][=C][Ring1][Branch1][C][Branch2][Ring1][C][/C][=C][/C@@H1][Branch1][C][O][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][O-1][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1].[Na+1]
|
CHEMBL11893
|
[C][C][Branch1][C][C][S][C][=C][C][=C][Branch2][Ring2][#C][C][C][C][C][N][Branch2][Ring2][C][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][O][Ring1][#Branch1][C][C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][S]
|
CHEMBL11824
|
[O][=C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][N][Ring1][O][C][C][C][C][N][C][C][C][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][O][Ring1][=C]
|
CHEMBL11825
|
[C][C][=C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][C][=C][Ring1][#C][N]
|
CHEMBL11826
|
[C][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][P]
|
CHEMBL11939
|
[O][=C][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][#C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring2][Ring1][#Branch2]
|
CHEMBL11940
|
[O][=C][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][C][C][#C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][N]
|
CHEMBL4559969
|
[N][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][S][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][Ring2][Ring1][Ring1][=Ring1][#Branch2]
|
CHEMBL11941
|
[C][O][C][C][C][C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL11942
|
[C][/C][=C][Branch2][Ring1][C][\N][C][=Branch1][C][=O][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O]
|
CHEMBL11943
|
[C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][N+1][Branch1][C][C][C][C][C][=C][C][=C][Branch1][N][C][=C][Ring1][=Branch1][C][Ring1][O][C][Ring2][Ring1][C][O][C][O][Ring1][=Branch2].[I-1]
|
CHEMBL11874
|
[C][C][O][C][=C][C][Branch1][Ring2][O][C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][Ring2][Ring1][Ring2][=O]
|
CHEMBL11957
|
[C][/C][=C][Branch1][Branch2][\N][C][=Branch1][C][=O][C][Cl][C][=Branch1][C][=O][O]
|
CHEMBL11958
|
[O][=C][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][#C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][S][Ring2][Ring1][=Branch2]
|
CHEMBL11959
|
[C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1]
|
CHEMBL11960
|
[O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1]
|
CHEMBL11894
|
[C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][=C][Branch1][N][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring1][P].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O]
|
CHEMBL11895
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][C][O][C][Branch2][Ring2][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][P][/C][=C][/C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C][=C][Ring2][Ring1][S]
|
CHEMBL11896
|
[C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Ring2][C][Ring1][#Branch2][C][=Branch1][C][=O][C][Ring1][#Branch1]
|
CHEMBL11983
|
[C][C][Branch1][C][C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][Ring1][=Branch1][=O][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][S][O][Ring2][Ring1][N]
|
CHEMBL12173
|
[O][=C][N][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][C][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring2][Ring1][O]
|
CHEMBL12174
|
[C][C][=Branch1][C][=N][N][C][=N][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][N]
|
CHEMBL12175
|
[C][C][C][C][=N][C][Branch1][Ring1][C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][C][=C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][C][Branch1][Branch1][C][O][C][C][=C][Ring2][Ring1][O]
|
CHEMBL12176
|
[C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][Ring2][Ring1][Ring2]
|
CHEMBL12177
|
[C][C][S][C][N][=C][Branch2][Ring1][#Branch1][S][C][C][C][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][N][Branch1][C][N][C][=Branch1][C][=O][C][=Ring2][Ring1][Branch2][C][=Ring2][Ring1][O][C]
|
CHEMBL12109
|
[C][C][=C][C][=C][Branch2][Ring1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][N][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring1][=C][Cl][C][=C][Ring2][Ring1][=Branch2][Cl]
|
CHEMBL12110
|
[C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][=N][Ring1][N][N][C][Branch1][C][C][=C][C][=C][Ring1][=Branch1][C]
|
CHEMBL12111
|
[C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][C][Branch1][=C][C][C][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][C]
|
CHEMBL12197
|
[N][C][=C][C][=C][Branch2][Ring1][N][O][C][C][C][C][C][C][C][C][Branch1][#Branch1][C][C][Ring1][=Branch1][Ring1][#Branch2][C][C][Ring1][N][C][Ring1][Branch2][C][Ring1][N][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL12198
|
[C][C][Branch1][C][N][C][=Branch1][C][=O][O]
|
CHEMBL12200
|
[O][=N][N][Branch1][Ring2][C][C][Cl][C][=Branch1][C][=O][N][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O]
|
CHEMBL12131
|
[C][C][=C][C][Branch1][P][C][Branch1][Ring1][C][#N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][C][Cl][C][=C][Ring1][P][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][I][=C][C][Branch1][C][I][=C][Ring1][Branch2][O]
|
CHEMBL12132
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1]
|
CHEMBL12133
|
[C][N][Branch1][C][C][C][C][C][O][C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][=Branch1]
|
CHEMBL12222
|
[C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][C][Branch1][#C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][C]
|
CHEMBL12223
|
[C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=O]
|
CHEMBL12224
|
[C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][Branch1][C][O][C][=C][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][Ring1][#C][=O]
|
CHEMBL12151
|
[C][C][C][=C][C][C][=Branch1][C][=O][N][Branch1][C][N][C][Branch2][Ring1][N][S][C][C][C][N][C][C][N][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][C][Ring1][#C][=N][C][=Ring2][Ring1][O][S][Ring2][Ring1][=C]
|
CHEMBL12152
|
[O][=C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][N][Ring1][O][C][C][C][C][N][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2]
|
CHEMBL12153
|
[C][C][Branch1][C][C][S][C][=C][C][=C][Branch2][Ring2][#C][C][C][C][C][N][Branch2][Ring2][C][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][O][Ring1][#Branch1][C][C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][S]
|
CHEMBL12242
|
[O][=N+1][Branch1][C][O-1][C][=C][C][Branch1][=N][C][Branch1][C][O][P][=Branch1][C][=O][Branch1][C][O][O][=C][N][=C][Branch1][C][O][C][Branch1][C][O][=N][C][Ring1][Branch2][=C][Ring2][Ring1][C]
|
CHEMBL12264
|
[C][C][=C][C][=C][C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C@H1][Branch1][C][C][C][C][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][=Branch1]
|
CHEMBL12267
|
[O][=N][N][Branch1][Ring2][C][C][Cl][C][=Branch1][C][=O][N][C][C][F]
|
CHEMBL12268
|
[C][C][Branch1][C][C][S][C][=C][C][=C][Branch2][Ring2][N][C][C][C][C][N][Branch2][Ring1][#C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][#C]
|
CHEMBL12269
|
[C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][=C][C][N][=C][Branch1][C][O][N][Branch1][=Branch1][C][Ring1][#Branch2][=Ring1][=Branch1][C][Ring1][=N]
|
CHEMBL12201
|
[O][=C][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][#C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][S][Ring2][Ring1][#Branch2]
|
CHEMBL12202
|
[C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][C][C][C][O][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][C][Ring2][Ring1][Ring1]
|
CHEMBL12203
|
[C][C][Branch1][C][Cl][C][N][Branch1][C][C][C][C][Branch1][C][C][Cl]
|
CHEMBL12291
|
[C][C][Branch1][C][C][S][C][=C][C][=C][Branch2][Ring2][Branch1][C][C][C][C][N][Branch2][Ring1][Branch2][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][#C][C][C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][N]
|
CHEMBL12292
|
[C][=C][C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][C][Branch1][=C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Ring1][N][C][Ring1][=C][C][=Branch1][C][=O][O][C][C][Si][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL12225
|
[O][=C][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch2]
|
CHEMBL12226
|
[C][/C][=C][Branch2][Ring1][Ring1][\N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL1163426
|
[C][C][C][C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=C][N][Branch1][N][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=C][Ring2][Ring2][Ring2][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL12315
|
[C][=C][C][=C][C][=N][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
|
CHEMBL12316
|
[C][C][Branch1][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][Branch2][C][Branch1][C][C][O][C][Ring1][Ring2][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][Ring1][Ring2][Ring1][#Branch2]
|
CHEMBL12317
|
[N][C][=N][C][Branch1][C][O][=C][N][=C][N][Branch1][=N][C][C][C][Branch1][Ring1][C][O][C][C][Ring1][#Branch1][O][C][Ring1][=N][=N][Ring2][Ring1][C]
|
CHEMBL12243
|
[C][C][NH1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
|
CHEMBL12244
|
[O][=C][N][C][=Branch1][C][=O][C][Branch1][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring2][Ring1][=Branch2]
|
CHEMBL12245
|
[C][C][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][S][C][C][/N][=C][Branch1][C][\N][N][C][C][C][C][=C][NH1][C][=N][Ring1][Branch1][O][Ring2][Ring1][Branch1]
|
CHEMBL12246
|
[C][C][Branch1][C][C][C][C@@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL12358
|
[C][C][=Branch1][C][=O][N][C][C][C][=C][N][Branch2][Ring2][Branch1][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][NH1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Ring1][=C][C][C][=Branch1][C][=O][O][C][=Ring2][Ring1][=Branch2]
|
CHEMBL12359
|
[C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][#Branch2][N][C][=C][C][=C][C][Ring1][=Branch1][=O][=C][C][Branch1][C][C][Branch1][C][C][O][Ring1][S][C][=C][Ring2][Ring1][=N]
|
CHEMBL12360
|
[C][C][Branch1][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][Ring1][Ring2][Ring1][#Branch2]
|
CHEMBL12361
|
[C][N][Branch1][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O]
|
CHEMBL12362
|
[C][N][Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O]
|
CHEMBL12293
|
[O][=C][Branch1][C][O][C][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][Cl][C][C][Cl][C][=C][Ring1][=N]
|
CHEMBL12294
|
[C][C@@H1][Branch1][C][N][C][C][=C][NH1][C][=N][Ring1][Branch1].[S][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][Branch1][Branch2][C][=C][NH1][C][=N][Ring1][Branch1][C][C][Ring1][O]
|
CHEMBL1163428
|
[O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][Ring1][S]
|
CHEMBL12017
|
[C][/C][=C][Branch1][#C][\N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][O][C][C][=Branch1][C][=O][O]
|
CHEMBL12018
|
[O][=C][Branch2][Ring1][=C][/C][=C][/C][=C][C][=C][C][Branch1][P][/C][=C][/C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][C][=C][Ring1][O][O]
|
CHEMBL12019
|
[C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring1][N]
|
CHEMBL4560016
|
[C][C][N][Branch1][P][C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4560017
|
[C][C][O][C][=C][C][=C][Branch2][=Branch1][O][/C][=C][/C][=C][C][=C][Branch2][Branch1][#Branch1][S][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring2][Ring1][C][=C][Ring2][Ring1][=C][C][#N][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring2][=Branch1][C][=C][Ring2][Ring2][=C]
|
CHEMBL12318
|
[O][=P][Branch1][C][O][Branch1][C][O][C][Branch1][C][Cl][Branch1][C][Cl][P][=Branch1][C][=O][Branch1][C][O][O]
|
CHEMBL12319
|
[C][N][C][C][C][N][C][Ring1][=Branch1][=O]
|
CHEMBL12321
|
[C][C][C][C][C][C@H1][Branch1][C][O][/C][=C][/C][C][=Branch1][C][=O][C][C@@H1][O][C][=Branch1][C][=O][C][C][C][/C][=C][\C][C@H1][Ring1][#C][Ring1][O]
|
CHEMBL262396
|
[N][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C@H1][N][C][=Branch1][C][=O][C@H1][N][C][=Branch1][C][=O][C@H1][Branch2][=Branch1][#C][N][C][=Branch1][C][=O][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][C][N][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][Branch2][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][C][=C][C][Ring2][Ring1][O][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][C@H1][Ring2][Ring2][S][O][C][=C][C][=C][Branch1][C][O][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][Ring2][=Branch1][Ring2]
|
CHEMBL12040
|
[O][=C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][Ring1][=Branch2][=C][NH1][Ring1][=N]
|
CHEMBL12042
|
[C][N+1][Branch1][C][C][Branch1][C][C][C][C][=C][C][Branch2][=Branch1][O][C][=C][N][=C][Branch2][Branch1][#C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][C][Branch1][Ring2][NH1][Ring1][Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=Branch2][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring2][Ring2][Branch1][NH1][Ring1][Branch1][C][=C][Ring1][P][C][=C][Ring2][Ring2][=Branch2][=C][C][=C][Ring2][Ring2][S][O].[I-1]
|
CHEMBL3309310
|
[C][N][N][=C][C][Branch2][#Branch1][O][C][N][C][C][N][Branch2][=Branch1][=C][C][=C][C][=C][Branch2][=Branch1][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C@H1][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][#C][C][=C][Ring2][Ring2][O][C][C][Ring2][Ring2][P][=C][Ring2][Branch1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL12334
|
[C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1]
|
CHEMBL4560029
|
[C][C][Branch1][C][C][Branch1][C][C][S][C][C][N][C][C][O][C][Branch1][Branch2][C][C][O][C][C][Ring1][=Branch1][C][Ring1][O]
|
CHEMBL4560030
|
[C][=C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring2][=N][O][C][=N][C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][=N][O][C][=C][C][=C][Ring2][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring2][Ring2][C][O][C]
|
CHEMBL4560031
|
[C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][N][C][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4560032
|
[C][N+1][=C][Branch1][S][/C][=C][/C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Branch1][N][N][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=C].[I-1]
|
CHEMBL4560033
|
[O][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][C][Branch1][S][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][=C][Ring1][#C][NH1][C][=C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][N][Ring2][Ring2][Ring2][Ring1][P]
|
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