chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
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CHEMBL15272
|
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Ring2][C][=C][C][=C][N][Branch2][Ring1][#Branch1][C][Branch1][N][C][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=O][S][Ring2][Ring1][#Branch2]
|
CHEMBL15292
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch1][=Branch2][S][C][C][C][=Branch1][C][=O][O-1][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=N][Ring1][O][=C][Ring2][Ring1][Ring1].[Na+1]
|
CHEMBL15294
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][N][C@H1][Branch1][C][C][C][Ring1][Branch2][C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][=C][N][Ring1][N][Ring2][Ring1][#Branch2]
|
CHEMBL15295
|
[C][C][C][C][=C][Branch2][Ring1][#Branch2][O][C][C][C][O][C][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][C][C][=C][C][=C][Ring2][Ring1][#Branch1][O][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][O]
|
CHEMBL15148
|
[C][C][N][C][C][N][Branch2][Ring2][C][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][C][C][C][Ring1][Ring2][C][C][Ring2][Ring1][=Branch2]
|
CHEMBL15150
|
[C][C][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][Branch1][C][N][=O]
|
CHEMBL15151
|
[C][C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][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]
|
CHEMBL15261
|
[C][C][Branch1][C][C][C][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][=Branch1][C][=O][O]
|
CHEMBL15262
|
[C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][Branch1][C][C][N][C][Ring1][#Branch1][Branch1][C][C][C]
|
CHEMBL14994
|
[C][C][C][Branch1][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C]
|
CHEMBL14995
|
[C][C][C][=C][Branch1][C][C][S][C][=C][Ring1][=Branch1][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][Ring2][Ring1][Ring1]
|
CHEMBL108
|
[N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C]
|
CHEMBL15273
|
[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][Branch1][C][C][N][Ring2][Ring1][O]
|
CHEMBL15276
|
[C][C][C][N][C][C][Branch1][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][=C][N][Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring2][Ring1][Branch1]
|
CHEMBL15277
|
[C][C][O][/N][=C][Branch2][Ring2][S][\C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch1][P][C][N][Branch1][C][C][C][S][C][=C][Branch1][C][C][N+1][=Ring1][=Branch1][C][C][S][C][Ring2][Ring1][=Branch1][Ring2][Ring1][Ring1][C][=C][S][C][Branch1][C][N][=N][Ring1][=Branch1]
|
CHEMBL15042
|
[C][C][Branch1][C][C][C][C][N][C][Branch2][Ring2][=Branch2][C][N][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#C]
|
CHEMBL15043
|
[C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][C][N][C][=C][Branch1][#Branch1][N][=C][Ring1][S][Ring1][#Branch1][C][C][C][Ring1][#Branch1]
|
CHEMBL15045
|
[C][C][=N][S][C][Branch2][Ring2][#Branch1][C][=C][C][=C][Branch2][Ring1][O][N][C][C][N][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][S][N][=N][Ring2][Ring1][=Branch1][=N][Ring2][Ring1][O]
|
CHEMBL15046
|
[C][C][C][C][C][=Branch1][S][=N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][Ring1][#Branch2][Ring2][Ring1][=Branch2]
|
CHEMBL15047
|
[O][=C][NH1][NH1][C][=Branch1][C][=O][C][NH1][C][=N][C][Ring1][#Branch2][=Ring1][Branch1]
|
CHEMBL15238
|
[C][C][O][C][=C][Branch1][Ring1][C][O][C@H1][C][C@H1][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][N][Ring1][=N][C][C][Ring2][Ring1][#Branch1][Ring1][P]
|
CHEMBL15312
|
[C][C][N][C][Branch1][C][C][C][C][C][N][Branch2][Ring2][Ring2][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][Ring1][Ring1][C][Ring2][Ring1][Branch2]
|
CHEMBL15314
|
[N][C][C][C][C][N][Branch2][Ring1][P][C][=N][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][C][C][Ring1][Ring1][C][Ring2][Ring1][#Branch1]
|
CHEMBL15315
|
[O][=C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][S][C][N][Ring2][Ring1][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL14996
|
[N][C][=C][C][Branch1][C][O][=N][C][Branch1][C][O][=C][C][Ring1][Branch2][=N][N][Ring1][O][C][C][O]
|
CHEMBL14997
|
[C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][N][C@@H1][Branch1][C][C][C][Ring1][Branch2][C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][=C][N][Ring1][N][Ring2][Ring1][O]
|
CHEMBL14998
|
[C][C][=N][C][Branch1][C][Cl][=C][Branch1][=N][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=N][Ring2][Ring1][=Branch1]
|
CHEMBL15088
|
[C][=C][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][Branch1][C][O][C][=C][C][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][N][Ring1][Branch2]
|
CHEMBL15089
|
[C][C][C][C][N][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][C][C][Ring1][Ring1][C][C][Ring2][Ring1][Branch2]
|
CHEMBL4543203
|
[C][C][=C][C][=N][C][Branch1][P][N][C][=Branch1][C][=O][N][C@H1][Branch1][Ring1][C][O][C][Branch1][C][C][C][=C][Ring1][S]
|
CHEMBL4543204
|
[C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C]
|
CHEMBL15020
|
[C][C][C][C][/C][=Branch1][=C][=N][\N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][Ring1][#Branch2][Ring2][Ring1][#Branch1]
|
CHEMBL15022
|
[C][C@@H1][C][N][Branch2][Branch1][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][=C][N][Ring1][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Ring2][Ring1][Branch2][C][C][N][Ring2][Ring1][S]
|
CHEMBL15023
|
[O][=C][Branch2][Ring2][Ring2][C][C][C][N][C][C][C][Branch1][C][O][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][Ring1][P][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL15129
|
[C][O][C][=C][Branch1][N][N][C][C][C][C][Branch1][C][N][C][Ring1][#Branch1][C][Branch1][C][F][=C][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][=Branch2][=Ring1][=N]
|
CHEMBL15130
|
[F][/C][=Branch1][#Branch2][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL15131
|
[C][=C][C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][N][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][Branch1][C][C][N][C][Ring1][#Branch1][Branch1][C][C][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL15132
|
[C][C][Branch2][Branch1][=Branch2][C][S][C][Branch2][Ring1][Ring2][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=N][Ring1][O][=C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][O]
|
CHEMBL15316
|
[C][C][C][Branch1][C][C][N][C][C][=C][Branch2][Ring1][#Branch1][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=O]
|
CHEMBL15065
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][N][Branch1][C][C][C@H1][Branch1][C][C][C][Ring1][=Branch2][C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][=C][N][Ring1][N][Ring2][Ring1][O]
|
CHEMBL15066
|
[C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch2][Ring1][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][C][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch2]
|
CHEMBL4543217
|
[C][C][O][C][C][O][C][=Branch1][C][=O][C][C][O][C][C][N][Ring1][=Branch1][C][C]
|
CHEMBL15091
|
[C][C][Branch1][C][C][Branch1][C][O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#Branch2][O][C][C][Ring1][O]
|
CHEMBL15092
|
[C][C][C][N][Branch1][Ring2][C][C][C][C@H1][C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][=Branch1][O][C][C][C@H1][Ring1][N][C]
|
CHEMBL15093
|
[C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][#C][C][=N][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][N][=C][N][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1]
|
CHEMBL15169
|
[C][C][N][C][C][C][C][N][Branch2][Ring2][Branch1][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][Ring1][C][C][C][Ring1][N][=C][Ring2][Ring1][C][F][C][Ring2][Ring1][Branch2]
|
CHEMBL15111
|
[C][C][Branch1][C][C][Branch1][C][O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#Branch2][O][C][C][C][Ring1][N]
|
CHEMBL15112
|
[C][N][C][C][N][Branch2][Ring2][Branch2][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][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][Ring2][Ring1][=N]
|
CHEMBL15114
|
[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][Branch2][Ring1][#Branch1][C][Branch1][N][C][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=O]
|
CHEMBL15189
|
[C][=C][C][C@][Branch1][C][C][Branch1][Ring1][C][O][O][C][Ring1][Branch2][=O]
|
CHEMBL15190
|
[O][=C][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][O][C][Ring1][Branch1][=O][C][C][C][C][C][C][Ring1][Branch1]
|
CHEMBL112
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
|
CHEMBL15133
|
[C][C][Branch1][C][C][C][C][N][C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1]
|
CHEMBL15216
|
[C][#C][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#Branch2][O][C][C][C][Ring1][N]
|
CHEMBL15217
|
[C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][=C][Branch1][C][O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=O]
|
CHEMBL15218
|
[C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][N+1][=C][C][=C][C][=C][Ring1][=Branch1].[Cl-1]
|
CHEMBL15219
|
[C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][Ring1][#Branch1][C]
|
CHEMBL15146
|
[C][C][C][N][Branch1][Ring2][C][C][C][C@@H1][C][C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][Ring1][O]
|
CHEMBL15147
|
[C][C][C][C][=Branch1][C][=O][N][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][C][=C][Ring1][#C][Ring1][=Branch1]
|
CHEMBL15233
|
[O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Branch1][C][O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2]
|
CHEMBL15234
|
[C][C][C][N][Branch1][Ring2][C][C][C][C@@H1][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][C@@H1][Ring1][O][C]
|
CHEMBL15235
|
[O][=C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Branch1][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=O]
|
CHEMBL15237
|
[C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2]
|
CHEMBL15170
|
[C][C][O][C][=C][Branch1][N][N][C][C][C][C][Branch1][C][N][C][Ring1][#Branch1][C][Branch1][C][F][=C][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][=Branch2][=Ring1][=N]
|
CHEMBL15171
|
[C][C][N][C][C][C][C][N][Branch2][Ring2][#Branch1][C][=C][Branch1][C][F][C][=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][C][O][C][C][C][C][Ring2][Ring1][O]
|
CHEMBL15172
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][P][N][C][C][N][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][C][=N][C][Branch1][C][C][=N][S][Ring1][=Branch1][N][=N][Ring1][N][C][C][Ring2][Ring1][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL15263
|
[C][C][N][C][C][C][C][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][P][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][#C][O][C]
|
CHEMBL15192
|
[C][C][Branch1][C][C][C][C][C][=C][Branch1][Ring2][O][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][N][=O]
|
CHEMBL15193
|
[C][C][Branch1][C][C][=C][C][C][=C][Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O]
|
CHEMBL15194
|
[C][C][Branch1][C][C][C][C][N][C][Branch2][Ring2][Branch2][C][N][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][C][=C][C][Branch1][C][I][=C][Branch1][C][O][C][Branch1][C][I][=C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=C]
|
CHEMBL15278
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][C][Branch1][Ring1][C][N][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C]
|
CHEMBL15220
|
[C][C][C][Branch1][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O]
|
CHEMBL15221
|
[C][C][=C][C][=C][NH1][C][=N][N][=C][Branch1][C][N][C][Ring1][=Branch1][=C][C][Ring1][#Branch2][=C][Ring1][=C]
|
CHEMBL15296
|
[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][C][C][Ring1][Ring1][C][Ring2][Ring1][#Branch1]
|
CHEMBL15299
|
[C][C][C][C][=C][Branch2][Ring1][#Branch2][O][C][C][C][O][C][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][C][C][=C][C][=C][Ring2][Ring1][#Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][O]
|
CHEMBL14707
|
[O][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][C][Branch1][C][O][=C][Ring1][=C][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL14708
|
[C][C][C][N][Branch1][Ring2][C][C][C][C@H1][C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][C@H1][Ring1][O][C]
|
CHEMBL14709
|
[O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][NH1][C][=N][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][O][C][C][O]
|
CHEMBL14710
|
[C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch2]
|
CHEMBL14796
|
[C][N+1][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][Branch1][O][C][=N][C][Branch1][C][N][=N][O][Ring1][=Branch1][C][Ring1][=C]
|
CHEMBL14797
|
[C][C][=C][O][C][Branch1][=N][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][=N][Ring1][=N]
|
CHEMBL15264
|
[O][=C][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][C][=C][N][Ring1][P][C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL15266
|
[C][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][C][C][Ring1][Ring1][C][Ring2][Ring1][#Branch1]
|
CHEMBL15000
|
[C][#Branch1][N][#C][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][=C][NH1][C][=N][Ring1][Branch1]
|
CHEMBL15001
|
[C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][S][C][=C][Branch1][C][O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=O][=C][Ring2][Ring1][=Branch1]
|
CHEMBL15279
|
[C][C][O][C][=Branch1][C][=O][C][S][C][Branch2][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][/C][=Branch1][Ring2][=N][\O][C][C][=C][S][C][Branch1][C][N][=N][Ring1][=Branch1][C][Ring2][Ring1][C][S][C][Ring2][Ring1][=Branch2][=N+1][Branch1][C][C][C][=Ring2][Ring2][C][C]
|
CHEMBL15280
|
[C][C][C][C][/C][=Branch2][Ring1][C][=N][\N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][Ring1][#Branch2][Ring2][Ring1][=Branch2]
|
CHEMBL15281
|
[N][#C][C][C][N][C][Branch2][Ring1][C][C][N][C][Branch1][C][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2]
|
CHEMBL554
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][N][C][C][=C][C][=C][Branch2][Ring2][#C][C][=C][C][=C][N][=C][N][=C][Branch2][Ring1][N][N][C][=C][C][=C][Branch1][=C][O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Branch1][C][Cl][=C][Ring1][S][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O][O][Ring2][Ring1][S]
|
CHEMBL15300
|
[C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][Branch1][C][C][N][C][Ring1][#Branch1][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL15301
|
[C][S+1][Branch1][C][O-1][C][C][C][C][C][C][C][C][N][C][=C][N][=C][Ring1][Branch1]
|
CHEMBL15048
|
[C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1]
|
CHEMBL15049
|
[C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][O][C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2]
|
CHEMBL15050
|
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][C][Branch1][C][O][=C][C][=C][C][=Branch1][Branch2][=C][C][Ring1][=Branch1][=N][Ring1][O][O][C][O][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2][O][C]
|
CHEMBL15051
|
[C][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][N][C][C][O][C][C][Ring1][=Branch1]
|
CHEMBL14798
|
[C][C][N][C][C][C][C][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Ring1][=N][O][C]
|
CHEMBL14799
|
[C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][NH1][C][=N][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][O][C][C][C][C]
|
CHEMBL1163488
|
[C][C][C@@][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][N][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][N][Branch1][#Branch1][C][C][C][Ring2][Ring1][=Branch1][C@H1][Ring1][#C][Ring2][Ring1][#Branch1]
|
CHEMBL14800
|
[C][O][C][=C][C][=C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch2][Ring1][N][C][C][N][C][=Branch1][C][=O][C][C][C@H1][C][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][C][C@@H1][Branch1][Ring2][C][Ring1][=Branch2][C][Ring1][Branch2][C][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][=C]
|
CHEMBL14889
|
[O][=C][Branch1][#Branch2][O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][=C][Branch1][C][O][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Ring1][=N][=O]
|
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