chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
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CHEMBL14053
|
[O][=C][Branch1][C][O][C][Branch1][C][Cl][Branch1][C][Cl][Cl]
|
CHEMBL14054
|
[C][/C][=Branch2][Ring2][=C][=C][/C][C][=C][Branch1][C][O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][Branch2][N][Ring1][Branch1][C][Ring1][P][=O][C][=Branch1][C][=O][N][Branch1][C][C][C][N][Ring1][O][C][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL543
|
[C][N][C][=C][N][=C][Ring1][Branch1]
|
CHEMBL14055
|
[C][S][C][C][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O]
|
CHEMBL13981
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][S][C][=Branch1][C][=S][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][P]
|
CHEMBL13982
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][C][=Branch1][C][=S][N][C][C][O][C][C][Ring1][=Branch1]
|
CHEMBL13983
|
[C][C][NH1][C][Branch2][Ring1][Branch1][/C][=C][\C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][O][=C][Branch1][C][C][C][=Ring2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1]
|
CHEMBL14076
|
[C][O][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][C][Ring2][Ring1][O]
|
CHEMBL14077
|
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#C][O][C][C][C][N][C][C][C][Branch1][P][C][=N][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][Ring2][Ring1][=N]
|
CHEMBL13903
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][=C][C][C][N][C][=Branch1][C][=O][NH1][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Ring1][O][C][Ring1][S][=O][C][C][Ring2][Ring1][=Branch2]
|
CHEMBL13904
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][C][C][Ring2][Ring1][Branch1]
|
CHEMBL13905
|
[C][#C][C][N][Branch2][Ring1][=Branch1][C][C][=C][C][=C][N][=C][Branch1][C][N][N][=C][Branch1][C][O][C][Ring1][Branch2][=C][Ring1][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2]
|
CHEMBL13932
|
[N][C][=N][C][Branch1][C][O][=C][N][=C][N][Branch2][Ring1][Branch1][C@@H1][C][=C][C@H1][Branch1][O][O][C][P][=Branch1][C][=O][Branch1][C][O][O][O][C][Ring1][N][C][Ring1][P][=N][Ring2][Ring1][=Branch1]
|
CHEMBL13933
|
[N][C@@H1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][O][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][P][C][Ring2][Ring1][=N][=O]
|
CHEMBL13934
|
[C][C][Branch1][C][C][N][C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2].[Cl]
|
CHEMBL13935
|
[C][C][C@@][Branch1][C][O][C][=Branch1][C][=O][O][C][C][=C][Ring1][Branch2][C][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][=C][Ring1][#Branch1][N][=C][C][=N][C][Branch1][C][Br][=C][C][Ring1][#Branch1][=C][Ring1][O][C]
|
CHEMBL13936
|
[C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1].[Cl]
|
CHEMBL14026
|
[O][=C][Branch1][C][O][C][C][C][=C][C][=C][Branch2][Ring2][#Branch2][O][C][=N][C][=C][C][Branch2][Ring1][=N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][N][Ring1][N][C][C][C][N][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][#C]
|
CHEMBL14056
|
[C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P]
|
CHEMBL14057
|
[C][C@@H1][Branch1][C][O][C@H1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch2][Ring1][=Branch2][S][C@@H1][C][N][C@H1][Branch1][#C][C][O][C][=C][C][=C][Branch1][Ring1][C][N][C][=C][Ring1][Branch2][C][Ring1][#C][C@H1][Branch1][C][C][C@H1][Ring2][Ring1][N][Ring2][Ring1][=Branch2]
|
CHEMBL14058
|
[C][C][C][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][O][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][C][C@][Ring1][=Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O]
|
CHEMBL14148
|
[C][O][C][=C][C][C][=C][NH1][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][O][C][C][C][N][C][C][C][Branch1][P][C][=N][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S]
|
CHEMBL14149
|
[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2]
|
CHEMBL14079
|
[C][O][C][Branch1][C][C][=O]
|
CHEMBL14080
|
[C][O][C][=C][C][=C][C][Branch2][Ring2][C][N][C][=Branch1][C][=O][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][=C][Ring2][Ring1][O]
|
CHEMBL14170
|
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring2][#Branch2][O][C][=N][C][=C][C][Branch2][Ring1][=N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][N][Ring1][N][C][C][C][N][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2][=C][Ring2][Ring1][#C]
|
CHEMBL13907
|
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][Branch2]
|
CHEMBL13999
|
[C][C][C][C][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1].[Cl]
|
CHEMBL14000
|
[O][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][Branch1][=N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2][C][Ring2][Ring1][#Branch1][C][=C][C][=C][O][Ring1][Branch1]
|
CHEMBL14001
|
[C][O][C][=C][C][Branch1][=C][C][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][=C][C][Branch1][N][O][C][C][C][C][C][C][=Branch1][C][=O][O][=C][Ring2][Ring1][Branch2][O][C]
|
CHEMBL14002
|
[C][C][O][C][=Branch1][C][=O][C][C][C][O][C][=C][C][Branch1][=C][C][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][=C][C][Branch1][Ring1][O][C][=C][Ring1][P][O][C]
|
CHEMBL14003
|
[C][C][Branch1][C][C][N][C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2].[Cl]
|
CHEMBL14027
|
[C][N][C][N][Branch1][C][C][C][N][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch1][C][=Ring2][Ring1][=Branch2][C][Ring2][Ring1][=C][=O]
|
CHEMBL14028
|
[C][N][C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C]
|
CHEMBL14029
|
[C][C][=C][C][=C][Branch1][P][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][Branch1][/C][=C][/C][O][=C][Ring2][Ring1][Ring2]
|
CHEMBL14031
|
[C][C][=N][C][Branch1][C][O][=N][C][Branch1][C][O][=C][Ring1][Branch2][/C][=C][/C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][=O]
|
CHEMBL14122
|
[C][C][N][C][C][C][=C][Ring1][=Branch1][NH1][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1]
|
CHEMBL14150
|
[C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O]
|
CHEMBL14151
|
[C][C][C][N][=C][N][Branch1][=N][C][=Branch1][C][=O][C][=Ring1][#Branch1][C][Branch1][C][N][=O][C][Branch1][C][C][C][C][C][Ring1][=N][=N][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL14152
|
[C][C][O][C][Branch1][C][C][=O]
|
CHEMBL14153
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@][Branch1][C][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][Ring1][#Branch1]
|
CHEMBL14237
|
[C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=C][C][=N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][N][Ring2][Ring1][C][Ring1][#C][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL14238
|
[C][C][=Branch1][C][=O][N][C][=Branch1][C][=S][N][C][C@@H1][C][C@@H1][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][NH1][C][=C][Branch1][=Branch1][C][Ring1][=N][=Ring1][Branch1][C][C@H1][Ring1][S][N][Branch1][C][C][C][Ring2][Ring1][Branch1]
|
CHEMBL4543173
|
[C][N][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][=Branch1][C][Branch1][C][N][=O][=N][Ring2][Ring1][Ring1]
|
CHEMBL4543174
|
[C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][C][=C][C][=N][N][=C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring1][P][C][=C][N][Ring2][Ring1][Branch1][N][=Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C]
|
CHEMBL4543175
|
[O][=C][Branch2][Ring2][#C][C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=N][C][S][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][N][Ring1][S][C][=Ring2][Ring1][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O]
|
CHEMBL14172
|
[C][N][Branch1][C][C][/C][=C][\C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][Branch2][N][Ring1][Branch1][C][Ring1][P][O][C][=Branch1][C][=O][N][Branch1][C][C][C][N][Ring1][O][C]
|
CHEMBL14173
|
[N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]
|
CHEMBL14174
|
[C][/C][=Branch1][#Branch2][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][C][N][Ring1][Branch1]
|
CHEMBL14175
|
[N][C][=N][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][O][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1]
|
CHEMBL14261
|
[C][O][C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][Branch2][C][=Ring2][Ring1][=N][Cl]
|
CHEMBL14262
|
[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][=C][Ring2][Ring1][=Branch1]
|
CHEMBL14004
|
[C][N][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl].[Cl]
|
CHEMBL14097
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][C][C][N][Ring1][Branch1]
|
CHEMBL14099
|
[C][C][N][Branch1][Ring1][C][C][C][=N][C][Branch1][P][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1].[O][=C][Branch1][C][O][C][=Branch1][C][=O][O]
|
CHEMBL14100
|
[C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][N][C][C][C][Branch1][P][C][=N][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S]
|
CHEMBL14102
|
[N][#C][C][C][O][C][=Branch1][C][=O][C][C][C][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring2][Ring1][O][C][Ring2][Ring1][=C][C][=C][C][=C][O][Ring1][Branch1]
|
CHEMBL14124
|
[C][C][C][C][N][Branch1][C][C][C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][NH1][C][=N][N][=C][C][=Ring1][P][Ring1][Branch1]
|
CHEMBL14125
|
[O][C][=C][C][=C][C][Branch2][Ring2][#Branch2][O][C][=N][C][=C][C][Branch2][Ring1][=N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][N][Ring1][N][C][C][C][N][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2][=C][Ring2][Ring1][#C]
|
CHEMBL14126
|
[O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
|
CHEMBL14127
|
[Cl][C][=C][C][Branch1][C][Cl][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][Cl]
|
CHEMBL14217
|
[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Ring2][C][NH1][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=Ring1][=N][Ring1][=Branch2][=C][Ring2][Ring1][Ring2]
|
CHEMBL3309648
|
[C][O][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring2][Ring1][C][C][=C][Branch1][#Branch1][C][O][C][Ring1][Branch1][=O][N][C][=C][Ring1][#Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][=C][Ring2][Ring1][=N]
|
CHEMBL14239
|
[C][C][=Branch1][C][=O][N][C][=Branch1][C][=S][N][C][C@@H1][C][C@@H1][C][=C][C][=C][C][NH1][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C@H1][Ring1][N][N][Branch1][C][C][C][Ring1][P]
|
CHEMBL4543225
|
[O][=C][Branch1][#C][C][N][C][C][N][C][=C][N][=C][Ring1][Branch1][C][Ring1][=Branch2][N][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1]
|
CHEMBL4543226
|
[C][C][=N][C][=C][Branch2][Ring2][Ring1][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][C][N][Branch1][=N][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][C][C][Ring1][=C][=C][Ring2][Ring1][Ring2][C][=N][Ring2][Ring1][#Branch2]
|
CHEMBL4543227
|
[C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][=O]
|
CHEMBL4543228
|
[C][C][=N][NH1][C][=C][Ring1][Branch1][C][N][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C]
|
CHEMBL4543229
|
[C][C][O][C][=C][C][=C][Branch2][Ring2][N][C][=N][N][=C][Branch2][Ring1][Branch2][S][C][C][=C][S][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][Ring1][=N][N][Ring2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][P]
|
CHEMBL4543230
|
[C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#C][C][=Branch1][C][=O][C][C][=N][N][Branch1][P][C][=N][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][NH1][Ring1][#Branch2][C][=Ring1][#C][C][C][C][Ring2][Ring1][Branch2]
|
CHEMBL14240
|
[C][C][=N][C][Branch1][C][O][=N][C][Branch1][C][O][=C][Ring1][Branch2][/C][=C][/C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
|
CHEMBL14241
|
[C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][Branch1][/C][=C][/C][O][C][=C][Ring1][#Branch2][Br]
|
CHEMBL13962
|
[C][C][C][C][C][N][C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2].[Cl]
|
CHEMBL13963
|
[Cl].[N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]
|
CHEMBL13964
|
[C][C][C][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2].[Cl]
|
CHEMBL7474
|
[C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][N][C][=N][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][=C][N][=C][Ring1][=Branch2][Ring1][N][=C][Ring2][Ring1][Ring1]
|
CHEMBL14177
|
[C][C][Branch1][C][C][C][Branch2][Ring2][#C][N][C][=Branch1][C][=O][C][N][C][=C][C][C][=Branch1][C][=O][N][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][NH1][C][=Ring2][Ring1][Ring1][C][Ring2][Ring1][#Branch1][=O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL14178
|
[C][C][C][Branch1][C][N][C][C]
|
CHEMBL14179
|
[C][C][C][C][C][Branch1][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]
|
CHEMBL13890
|
[C][C][C][C][N][C][C][N][Branch2][Ring1][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][Ring1][O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][Ring2][Ring1][Branch2]
|
CHEMBL13891
|
[C][C][Branch1][C][C][Branch1][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][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][O]
|
CHEMBL14201
|
[C][O][C][=C][C][Branch1][=C][C][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][=C][C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][=C][Ring2][Ring1][Ring2][O][C]
|
CHEMBL14202
|
[C][O][C][C][N][C][=N][N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][N][=C][Ring1][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][=Branch1]
|
CHEMBL14203
|
[C][=C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C]
|
CHEMBL14204
|
[C][S][C][C][C@H1][Branch2][Branch1][Ring1][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][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][O]
|
CHEMBL14205
|
[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][O]
|
CHEMBL14206
|
[C][O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][C][=C][Ring1][=Branch2][O][C][C][C][C][N][C][C][C][Branch1][P][C][=N][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S]
|
CHEMBL13911
|
[C][C][N][C][=C][N][=C][Ring1][Branch1]
|
CHEMBL14218
|
[C][O][C][=C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=C][O][C][C][C][N][C][C][C][Branch1][P][C][=N][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S]
|
CHEMBL14219
|
[C][C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][#C][O][C][C][C][N][C][C][C][Branch1][P][C][=N][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S][C][Branch1][C][O][=C][Ring2][Ring1][O]
|
CHEMBL14220
|
[C][C@][C][C][C@H1][C@@H1][Branch1][S][C][C][C][C][C][=Branch1][C][=O][C][=C][N][Ring1][#Branch1][Ring1][O][C@@H1][Ring1][#C][C][C][C][Ring2][Ring1][C][=O]
|
CHEMBL14970
|
[C][O][C][=C][C][=C][Branch2][=Branch1][#Branch1][N][Branch2][Branch1][=C][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][N+1][Branch1][C][O-1][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][S][C][Branch1][C][C][C][C][=C][Ring2][Ring2][=N]
|
CHEMBL13937
|
[C][C][Branch1][C][C][C][Branch2][Ring2][Branch2][N][C][=Branch1][C][=O][C][N][C][=C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][C][=Ring1][#C][C][Ring2][Ring1][Ring1][=O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL4543237
|
[O][=C][Branch2][Ring1][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][B][Branch1][C][O][O][C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1]
|
CHEMBL3309649
|
[O][=C][O][C][C][=C][Ring1][Branch1][C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][N][Ring2][Ring1][#Branch2]
|
CHEMBL13965
|
[C][O][C][=C][C][=C][Branch2][Ring2][#C][C][=C][N][=C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring1][S][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C]
|
CHEMBL13966
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][S][C][=Branch1][C][=S][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][P]
|
CHEMBL14060
|
[O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL14061
|
[C][C][C][C][=C][Branch1][C][O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][Branch2][N][Ring1][Branch1][C][Ring1][P][=O][C][=Branch1][C][=O][N][Branch1][C][C][C][N][Ring1][O][C]
|
CHEMBL14063
|
[C][S][C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][Branch2]
|
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