chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
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CHEMBL10424
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][N][=C][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][Ring1][=N][=C][Ring2][Ring1][C][O][C][=C][Ring2][Ring1][N]
|
CHEMBL10425
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C@H1][Ring1][=Branch1][C][N][Branch1][C][C][C][C][C][=C][C][=C][N][=C][O][C][Ring1][Branch1][=C][Ring1][=Branch2]
|
CHEMBL10031
|
[O][=C][Branch2][Ring1][Ring1][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][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]
|
CHEMBL10032
|
[C][C][N][Branch2][Ring2][C][C][=N][C][Branch1][C][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][=N][Ring2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][Br]
|
CHEMBL10033
|
[C][O][C@H1][O][C@@H1][O][C@][Branch1][C][C][C][C][C@H1][C@H1][Branch1][C][C][C][C][C@@H1][Branch1][Branch1][C@H1][Ring1][#C][C][C][Ring1][=Branch2][Ring1][#C][O][O][Ring1][#C]
|
CHEMBL10034
|
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][#C]
|
CHEMBL10115
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C@H1][Ring1][=Branch1][C][N][Branch1][C][C][C][C][C][=C][C][=C][N][=C][Branch1][C][O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2]
|
CHEMBL10057
|
[C][C][C][N][Branch1][Ring1][C][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][N][Branch1][Ring1][C][C][C][C][C]
|
CHEMBL10134
|
[C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][S][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL10135
|
[C][C][=C][C][=C][Branch2][Ring2][#C][N][C][C][Branch1][C][O][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][O][C][C][C][C][C][C][C][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1][C][Ring2][Ring1][N][=O][C][=C][Ring2][Ring2][Ring1]
|
CHEMBL3310018
|
[C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][N][=C][Branch1][=N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][C@H1][Ring1][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][N]
|
CHEMBL10152
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C@H1][Ring1][=Branch1][C][N][Branch1][C][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][S][Ring1][=Branch1][=Branch1][C][=O][=O]
|
CHEMBL10153
|
[C][=C][C][Branch2][Ring1][Ring1][C][=C][N][=C][C][Branch1][=Branch2][O][C@@H1][C][C][N][C][Ring1][Branch1][=C][Ring1][N][=C][C][=N][Ring2][Ring1][C]
|
CHEMBL9921
|
[C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][C][C][Ring1][=Branch1]
|
CHEMBL9922
|
[O][=C][Branch1][=Branch1][N][C][C][C][O][C][C][=N][N][Branch2][Ring1][=N][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][S][Ring1][#C][C][=Ring2][Ring1][Ring2][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL10093
|
[C][C][C][C][C][C][C][O][C][=C][C][=C][Branch1][S][C][C][C][Branch1][C][N][Branch1][Ring1][C][O][C][Branch1][C][C][C][C][=C][Ring1][#C]
|
CHEMBL10094
|
[C][C][Branch1][C][C][C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=C][O][C][Ring2][Ring1][Ring1][=O]
|
CHEMBL10095
|
[O][=C][C][C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=C][O][Ring2][Ring1][C]
|
CHEMBL10096
|
[C][C][C][=C][Branch1][Branch2][C@@H1][C][C][C][N][Ring1][Branch1][O][N][=Ring1][#Branch2]
|
CHEMBL10097
|
[O][=C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch2][Ring1][#Branch1][C][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][=C][C][=Branch1][C][=O][N][Ring2][Ring1][O]
|
CHEMBL10176
|
[C][C][Branch1][Ring1][C][=O][C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL10116
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][N][=O][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL10117
|
[C][O][C][=C][C][N][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][I][O][C][=Branch1][C][=O][C][=Ring1][#C][C][=C][Ring2][Ring1][Ring1][O][C]
|
CHEMBL10118
|
[C][C@@][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][O][C][=Branch1][C][=O][N][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch2][=O]
|
CHEMBL10119
|
[C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][S][C][O][C][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][O][C][C][C][Ring2][Ring1][=Branch1]
|
CHEMBL10136
|
[O][=C][Branch1][C][O][C][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=C][N][Ring2][Ring1][#Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
|
CHEMBL10137
|
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=Branch1][#Branch2][=C][\C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=O]
|
CHEMBL10213
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=N][=O][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL10214
|
[C][=C][Branch1][C][C][C@@H1][C][C][C@][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring1][C][C@@H1][Ring2][Ring2][N][Ring2][Ring2][=Branch2]
|
CHEMBL10215
|
[C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring1][Branch1][O]
|
CHEMBL9923
|
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL9924
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C@H1][Ring1][=Branch1][C][N][Branch1][C][C][C][C][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2]
|
CHEMBL9997
|
[C][C][C][=Branch1][C][=O][N][C][C][C][=C][N][Branch1][#C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][O][Ring1][Branch2][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C]
|
CHEMBL9998
|
[C][O][C][=C][C][=C][Branch2][Ring1][Ring1][S][C][=C][C][=C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][O][C][=C][Ring2][Ring1][C]
|
CHEMBL9999
|
[C][O][C][=C][C][=C][Branch2][Ring1][Ring2][S][C][=C][C][=C][Branch1][=Branch2][C][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL10177
|
[C][N][C][=Branch1][C][=O][C][=C][C@][Branch1][C][C][C][C][C][C@@][Branch1][C][C][C][Branch1][=C][C][C][C@@][Ring1][=Branch1][Branch1][C][O][C][#C][C][C][O][C][Ring1][S][C][C][C][Ring2][Ring1][#Branch2][Ring2][Ring1][Branch1]
|
CHEMBL10178
|
[C][=C][C@][Branch1][Ring1][C][O][C][C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][N][Branch1][#Branch1][C][C][N][Ring1][=C][C][C][Branch1][Ring2][O][Ring1][=Branch2][C@@H1][Ring2][Ring1][#Branch1][O]
|
CHEMBL10180
|
[C][C][=C][C][=C][Branch2][Ring2][#Branch2][C][#C][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][#C]
|
CHEMBL9938
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C@H1][Ring1][=Branch1][C][N][Branch1][C][C][C][C][C][=C][C][=C][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2]
|
CHEMBL10192
|
[C][C][=C][C][=C][Branch2][Branch1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][C][C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][Branch1][Branch1][C][O][Ring1][P][C@H1][Ring2][Ring1][Ring1][C][/C][=C][/C][C][C][C][=Branch1][C][=O][O][C][=C][Ring2][Ring2][=Branch1]
|
CHEMBL10193
|
[C][O][C][C][#C][C][C][Branch2][Ring1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][C][=Branch1][C][=O][O]
|
CHEMBL10194
|
[C][S][C][=C][C][=C][C][Branch2][Ring2][C][N][C][C][N][Branch2][Ring1][=Branch1][C][C][C][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][O]
|
CHEMBL10195
|
[C][C][O][C][=Branch1][C][=O][C][NH1][C][=C][N][=C][C][=C][C][Branch1][C][O][=C][C][Ring1][#Branch1][=C][Ring1][#Branch2][C][=Ring1][=C][C][O][C]
|
CHEMBL9959
|
[C][O][C][=C][C][=N][C][Branch2][Ring1][S][C][S+1][Branch1][C][O-1][C][=N][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][O][C][Branch1][C][F][Branch1][C][F][O][Ring1][#Branch2][=C][Ring2][Ring1][#Branch1]
|
CHEMBL10216
|
[C][N][Branch2][Ring1][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][C][C][C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][C][=C][Ring1][O][Ring1][#C]
|
CHEMBL10217
|
[C][C@@H1][C][C][C@H1][C@@H1][Branch1][C][C][C@@H1][Branch1][=N][C][=Branch1][C][=O][O][C][C][C][=Branch1][C][=O][O-1][O][C@@H1][O][C@][Branch1][C][C][C][C][C@@H1][Ring2][Ring1][#Branch1][C][Ring2][Ring1][Branch1][Ring1][Branch2][O][O][Ring1][Branch2].[Na+1]
|
CHEMBL9975
|
[C][C][N][Branch2][Ring1][P][C][=N][C][Branch1][C][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][Ring1][P][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][Br]
|
CHEMBL9976
|
[C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][Ring2][Ring1][C]
|
CHEMBL3310019
|
[C][C][=C][C][=C][Branch2][Ring1][P][C@H1][C][C][Branch1][=N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][=N][N][Ring1][=N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL10000
|
[O][=C][O][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1]
|
CHEMBL10001
|
[C][O][P][=Branch1][C][=O][Branch2][Ring2][#Branch2][N][C][=C][C][=C][Branch2][Ring1][=N][N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][P][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch2][O][C]
|
CHEMBL1163308
|
[C][C@H1][Branch1][C][O][C@H1][Branch2][Branch2][#Branch2][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][N][=O]
|
CHEMBL10079
|
[C][C][C@@H1][Branch2][Ring1][=C][N][C][=Branch1][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][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL10080
|
[C][O][C][=C][C][Branch1][C][Br][=C][Branch2][Ring2][Ring2][N][C][=N][C][Branch1][C][C][=N][C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][P][N+1][=Branch1][C][=O][O-1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=C]
|
CHEMBL9940
|
[C][N][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=C][Ring1][#Branch2]
|
CHEMBL9941
|
[C][O][C][=C][C][=C][Branch2][Ring1][O][/C][=C][/C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring1][=Branch1][O]
|
CHEMBL9942
|
[C][C][Branch1][C][C][N][Branch1][C][C][/N][=N][/C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2]
|
CHEMBL9943
|
[C][C][C][C][C@][Branch1][Ring1][C][O][C][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Ring1][O][Branch1][#Branch1][C][C][N][Ring1][=N][C][C][Branch1][Ring2][O][Ring1][=Branch2][C@@H1][Ring2][Ring1][=Branch1][O]
|
CHEMBL10018
|
[C][N][C][=Branch1][C][=O][C][C][C@][Branch1][C][C][C][C][C][C@@][Branch1][C][C][C][Branch1][#C][C][C][C@@][Ring1][=Branch1][Branch1][C][O][C][#C][C][C][C][Br][C][Ring1][P][C][C][C][Ring2][Ring1][O][Ring2][Ring1][=Branch1]
|
CHEMBL9960
|
[C][C][C@H1][Branch2][Ring1][=C][N][C][=Branch1][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][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL9961
|
[O][=C][Branch1][#C][N][C][Branch1][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1]
|
CHEMBL9962
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][Ring1][#C][=O][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL1782234
|
[C][/C][=C][/C][N][C@H1][C][C@@][C][=Branch2][Ring1][Ring2][=N][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][Ring1][=N][O][C][C@H1][Ring2][Ring1][C][C@H1][Ring2][Ring1][=Branch1][C][C@H1][Ring2][Ring1][=Branch1][Ring2][Ring1][Ring1]
|
CHEMBL10035
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][C][C][N][Ring1][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL9978
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][=C][C][=Branch1][C][=O][C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][O][Ring1][=C]
|
CHEMBL9980
|
[C][C][C][N][C][C][C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][C][C][Ring1][O][Ring1][=C]
|
CHEMBL10058
|
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][S][C][=C][C][=C][Branch1][O][N][C][=N][C][C][C][C][N][Ring1][#Branch1][C][=C][Ring1][=C][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL10059
|
[C][C@@H1][C][C][C@H1][C@@H1][Branch1][C][C][C][Branch2][Ring2][Branch2][C][C][=Branch1][C][=O][C][C][O][C][O][C@][Branch1][C][C][C][C][C@H1][C@H1][Branch1][C][C][C][C][C@@H1][Branch1][Branch1][C@H1][Ring1][#C][C][C][Ring1][#C][Ring1][=Branch2][O][O][Ring1][#C][O][C][O][C@][Branch1][C][C][C][C][C][Ring2][Ring2][=Branch1][C][Ring1][Branch2][Ring2][Ring2][Ring2][O][O][Ring1][Branch2]
|
CHEMBL10060
|
[C][O][C][=C][C][=N][C][Branch2][Ring1][O][C][S+1][Branch1][C][O-1][C][=N][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][NH1][Ring1][=N][=C][Ring2][Ring1][=Branch1]
|
CHEMBL10061
|
[C][O][C][=C][N][=C][Branch2][Ring2][C][C][S+1][Branch1][C][O-1][C][=N][C][=C][C][Branch1][=C][O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][=C][C][=C][Ring1][=N][NH1][Ring1][S][C][Branch1][C][C][=C][Ring2][Ring1][#Branch2][O][C]
|
CHEMBL10082
|
[C][C][N][Branch2][Ring1][=C][C][=N][C][Branch1][C][C][=N][C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][P][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][Br]
|
CHEMBL10083
|
[C][C][N][Branch1][Ring1][C][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][N][Branch1][Ring1][C][C][C][C]
|
CHEMBL10154
|
[C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=N][C][Branch1][C][C][=N][C][Branch1][P][N][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl][=C][Ring1][P][C]
|
CHEMBL10155
|
[C][C][C][N][Branch1][Ring1][C][C][C][C][Branch1][S][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][N][Branch1][Ring1][C][C][C][C][C]
|
CHEMBL10156
|
[O][=C][O][C][Branch1][=Branch2][N][C][C][C][S][C][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1]
|
CHEMBL10019
|
[C][O][C][=C][C][=C][Branch2][Ring2][S][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][#Branch2][Ring1][#Branch2][C][=C][Ring2][Ring1][S][O][C]
|
CHEMBL10020
|
[C][C][C@@H1][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL10021
|
[C][C][S][C][=C][C][=N][C][Branch2][Ring1][=C][C][S+1][Branch1][C][O-1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][=C][Ring2][Ring1][=Branch2][C]
|
CHEMBL10098
|
[C][C][O][C][=C][C][=C][Branch2][Ring2][O][C][C][=C][Branch2][Ring1][C][C][C][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][O][C][=C][Ring2][Ring2][C]
|
CHEMBL1163305
|
[N][=C][Branch1][C][N][N][C][C][C][C@H1][Branch2][#Branch2][=Branch1][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][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][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][N][=O]
|
CHEMBL10037
|
[C][C][C][C][C][C][=Branch1][C][=O][N][/N][=C][\C][C][C][C][Ring1][Branch1][C][C][C][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL10039
|
[O][=C][Branch2][Ring1][C][N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1]
|
CHEMBL10120
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL10062
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][/C][=C][/NH1][C][=Branch1][C][=O][/C][=Branch2][Ring1][Branch2][=C][/C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C][NH1][C][Ring2][Ring1][=Branch1][=O][C][=C][Ring2][Ring1][=C]
|
CHEMBL10138
|
[N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][C][C][N][Ring1][=C][Ring1][=Branch1]
|
CHEMBL10139
|
[C][C][C][Branch1][C][O][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][O][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][P][C][=Branch1][C][=O][N][Ring2][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL10140
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][N][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=C][Ring1][N][O][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL10157
|
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL10158
|
[C][C][C][C][C][C][Branch2][Ring1][Branch1][/C][=C][/C][Branch1][C][O][=C][\C][=Branch1][C][=O][C][N][Branch1][C][C][C][Ring1][#Branch1][=O][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL10159
|
[C][C][C][C][C][C][C][O][C][=C][C][=C][Branch1][N][C][C][C@][Branch1][C][C][Branch1][C][N][C][O][C][=C][Ring1][=N]
|
CHEMBL9925
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C@H1][Ring1][=Branch1][C][N][Branch1][C][C][C][C][C][=C][C][=C][O][C][=N][C][Ring1][Branch1][=C][Ring1][=Branch2]
|
CHEMBL9926
|
[C][O][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][/C][Branch1][C][C][=C][/C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1][O][C]
|
CHEMBL10099
|
[C][C][C][C][=Branch1][C][=O][N][C][C][C][=C][N][Branch1][#C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][O][Ring1][Branch2][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C]
|
CHEMBL10100
|
[C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][N][C][C][C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][N]
|
CHEMBL10101
|
[C][C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][C][O][C][=N][N][Ring1][N][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][S][Ring1][#C]
|
CHEMBL10234
|
[C][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL10235
|
[O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL10121
|
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring1][Ring1][O]
|
CHEMBL10122
|
[C][O][C][=C][C][=C][Branch2][Branch1][=Branch1][C][=C][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][O][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][P][=C][Branch1][C][O][N][=C][Ring2][Ring1][S][Ring2][Ring1][N][C][=C][Ring2][Ring2][=Branch1]
|
CHEMBL10123
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1]
|
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