chembl_id
stringlengths 7
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stringlengths 3
6.7k
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CHEMBL583920
|
[C][C][=C][C][C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][Branch1][Branch1][N][C][C][O][=C][Ring1][#C][C][Branch1][Branch1][C][Ring2][Ring1][Branch1][C][Ring2][Ring1][Ring2]
|
CHEMBL601070
|
[C][C][C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][N][Branch1][C][C][C][=Ring1][=N][S][Ring1][S]
|
CHEMBL601272
|
[C][C][C][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][O][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][C][N][C][C][C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][Ring1][O][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][#Branch1][C][C][Ring2][Ring2][Branch2]
|
CHEMBL601080
|
[C][C@@H1][C][N][Branch2][Branch1][S][C][=C][C][Branch2][Ring2][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][Branch2][Ring1][Branch2][C][Branch1][=Branch1][C][Branch1][C][N][=O][=N][N][Ring1][Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring2][=C][Branch1][C][Cl][C][=N][Ring2][Ring1][P][C][C][N][Ring2][Ring2][#Branch1][C]
|
CHEMBL1090649
|
[C][C@@H1][Branch2][Ring2][#Branch2][O][C@H1][C][N][C][=Branch1][C][=O][C][=C][Branch1][N][C][=C][C][=N][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][=C][C@@H1][Ring1][P][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C]
|
CHEMBL1090660
|
[C][O][C][=Branch1][C][=O][C@H1][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C@H1][C][=Branch1][C][=O][N][Branch2][Ring1][P][C][C][=Branch1][C][=O][N][C][C@H1][O][C@@H1][Branch1][=N][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C@H1][Branch1][C][O][C@@H1][Ring1][=C][O][C][=Branch1][C][=O][C@H1][Ring2][Ring1][O][Ring2][Ring2][Ring2]
|
CHEMBL1091010
|
[C][C][C][=Branch1][C][=O][O][C@@H1][C][C][=Branch1][C][=O][O][C@@H1][Branch2][Ring1][C][C][/C][=C][/C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][C][N][Branch1][C][C][C][C@H1][Branch1][C][O][C@H1][Branch1][C][C][C][C@H1][Branch1][Ring2][C][C][=O][C@H1][Branch2][Branch1][O][O][C@@H1][O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring2][Ring1][O][C@H1][C][C@@][Branch1][C][C][Branch1][Branch2][O][C][=Branch1][C][=O][C][C][C@@H1][Branch1][Branch2][O][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][O][Ring2][Ring1][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring2][Ring1][=N][O][C@H1][Ring2][=Branch1][Ring1][O][C]
|
CHEMBL1091740
|
[O][=C][Branch2][Ring2][=Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][N][O][C][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2]
|
CHEMBL1085459
|
[C][C][=C][N][Branch3][Ring2][Branch2][O][C][C][=Branch1][C][=O][N][Branch2][N][S][C][C][N][C][=Branch1][C][=O][C][N][Branch2][O][Ring1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][Branch2][Branch2][N][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][C][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][=Branch1][C][=O][C][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][C][C][=Branch1][C][=O][N][C][C][N][Branch3][Ring1][O][Branch1][C][C][=Branch1][C][=O][N][C][C][N][Branch3][Ring1][=Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][N][Branch3][Ring1][=Branch1][=C][C][C][=Branch1][C][=O][N][C][C][N][Branch3][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][C][N][Branch3][Ring1][C][=C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][S][P][C][C][=Branch1][C][=O][N][C][C][N][Branch2][=C][S][C][C][=Branch1][C][=O][N][C][C][N][Branch2][N][S][C][C][=Branch1][C][=O][N][C][C][N][Branch2][O][Ring1][C][C][=Branch1][C][=O][N][C][C][N][Branch2][=Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][N][Branch2][#Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][Branch1][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O][C][=Branch1][C][=O][C][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][=Branch1][C][=O][C][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][C][=Branch1][C][=O][C][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][=Branch1][C][=O][C][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][=Branch1][C][=O][C][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][C][=Branch1][C][=O][C][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][=Branch1][C][=O][C][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][=Branch1][C][=O][C][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][C][=Branch1][C][=O][C][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][=Branch1][C][=O][C][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][C][=Branch1][C][=O][C][N][C][=N][C][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=N][C][=Ring1][Branch2][Ring1][O][C][=Branch1][C][=O][C][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][=Branch1][C][=O][C][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][C][=Branch1][C][=O][NH1][C][Ring3][Ring1][#Branch2][=Branch1][=O]
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CHEMBL1077303
|
[C][N][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C@H1][O][C][C][C][C@H1][Ring1][=Branch1][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][P]
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CHEMBL1076790
|
[C][C][C@H1][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][#Branch2][O][C@@H1][O][C@H1][Branch1][C][C][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring1][#Branch2][O][C][Branch1][C][C][=O][C@@][Branch1][C][C][Branch1][Ring1][O][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@][Ring2][Ring2][Branch2][Branch1][C][C][O]
|
CHEMBL162297
|
[C][#C][C][N][Branch2][Ring1][#C][C][C][=C][C][=C][N][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][N][=C][Branch1][C][O][C][Ring1][=C][=C][Ring2][Ring1][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL1091285
|
[O][=C][/C][=Branch1][=C][=C][/C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][C][C][/C][Ring1][#C][=C][\C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl]
|
CHEMBL1091311
|
[C][C][Branch1][C][C][C][C@@H1][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][P][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][O][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][Ring2][=Branch1][=N][=O]
|
CHEMBL1091319
|
[C][C][=Branch1][C][=O][O][C][C@H1][O][C@@H1][Branch2][Ring1][=Branch1][S][N][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Ring2][Ring1][O][O][C@H1][O][C@H1][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Ring2][Ring1][Ring1][O][C][Branch1][C][C][=O]
|
CHEMBL1092995
|
[O][=C][Branch2][Ring1][O][N][N][C][=Branch1][C][=O][/C][=Branch1][=N][=C][\C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][C][Ring1][=C][=S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2]
|
CHEMBL1076738
|
[C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][N][Branch2][Branch1][P][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][N][C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C@@H1][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][Branch1][C][C][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][C][Ring2][Ring1][=N][=O][C][Ring2][Branch1][=Branch1][=O]
|
CHEMBL1076739
|
[C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][C@@H1][Branch2][Branch2][Branch1][C][=Branch1][C][=O][N][C@H1][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][N][Branch2][=Branch1][Branch1][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][N][C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C@H1][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C@H1][Branch1][P][C][C][=C][Branch1][C][C][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][N][Branch1][C][C][C][C][Ring2][Ring1][#C][=O][C][Ring2][Branch1][Branch2][=O][N][Branch1][C][C][C]
|
CHEMBL533010
|
[O][=C][Branch2][Ring1][=N][/C][=C][/C][=C][C][=C][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][C][=C][Ring1][S][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N]
|
CHEMBL610874
|
[N][=C][Branch1][C][N][N][C][C][C][C@@H1][Branch2][#Branch2][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C][C][C][C][C][N][C][=Branch1][C][=O][C@H1][O][C][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@H1][Branch1][C][O][C@@H1][Ring1][S][O][C][=Branch1][C][=O][O]
|
CHEMBL1076098
|
[C][C][C][C][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][=Branch1][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][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][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring2][#C]
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CHEMBL601082
|
[C][C][N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][C][Ring1][=C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]
|
CHEMBL603059
|
[O][=C][Branch1][C][O][C][C][C][=C][C][=C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
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CHEMBL569690
|
[Cl][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][C][N][C][=N][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2]
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CHEMBL570176
|
[N][=C][Branch2][#Branch1][=Branch1][N][C][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@H1][C][C@@H1][O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C@@][Ring1][#Branch2][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C@H1][Branch1][Ring2][C][Ring1][N][C@][Ring1][O][Branch1][C][O][C][Ring2][Ring1][Branch2][N][C][=C][C][=C][NH1][C][=C][Branch1][#Branch1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C@@][Branch1][C][O][C@H1][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@@][Ring1][N][Branch1][N][C][C][N][Ring1][=N][C][C][C][C][Ring1][Ring1][C@H1][Ring2][Ring1][=Branch2][O][Ring1][N]
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CHEMBL570178
|
[C][C][=Branch1][C][=O][N][N][=C][Branch2][Ring1][=Branch1][N][C][=N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][S][Ring1][N][C][C][Ring2][Ring1][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
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CHEMBL568607
|
[C][C][C][N][C][C][=N][N][=C][Branch2][Ring2][C][N][C][=N][C][Branch1][C][C][=N][C][=C][Ring1][#Branch1][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][O][Ring2][Ring1][#Branch2]
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CHEMBL606169
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[C][C][N][/C][=C][/C][=C][Branch1][#Branch1][C][=C][Branch1][C][C][C][C][Branch3][Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C@@H1][C@@H1][Ring1][#Branch1][C][C][C@@][Branch1][C][C][C@H1][Ring1][#Branch1][C][C][C@@][Ring1][=Branch1][Branch1][C][O][C][=C][N][Branch3][Ring2][#C][#C][C][C@H1][O][C@@H1][O][C@@H1][C@@H1][Branch2][Branch2][Ring1][C][N][C][=C][Branch2][#Branch1][#Branch1][C@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][Branch2][Branch1][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][Branch1][C][C][=C][Branch1][Ring2][N][C][C][C][=C][Ring1][#Branch2][C][C][=C][C][Branch1][Ring2][N][C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch2][Ring2][Ring1][=Branch1][=C][C][=C][Ring2][Ring2][Branch1][C@H1][Ring2][Ring2][=Branch2][C][C][C@@][Ring2][Ring2][=N][Ring2][Ring2][P][C][N][=N][Ring2][Branch1][#Branch1][O][C@H1][Branch3][Ring2][Branch2][Ring1][O][C@@H1][C@@H1][Branch2][Branch2][Ring1][C][N][C][=C][Branch2][#Branch1][#Branch1][C@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][Branch2][Branch1][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][Branch1][C][C][=C][Branch1][Ring2][N][C][C][C][=C][Ring1][#Branch2][C][C][=C][C][Branch1][Ring2][N][C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch2][Ring2][Ring1][=Branch1][=C][C][=C][Ring2][Ring2][Branch1][C@H1][Ring2][Ring2][=Branch2][C][C][C@@][Ring2][Ring2][=N][Ring2][Ring2][P][C][N][=N][Ring2][Branch1][#Branch1][O][C@H1][Branch3][Ring1][S][O][O][C@@H1][C@@H1][Branch2][Branch2][Ring1][C][N][C][=C][Branch2][#Branch1][#Branch1][C@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][Branch2][Branch1][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][Branch1][C][C][=C][Branch1][Ring2][N][C][C][C][=C][Ring1][#Branch2][C][C][=C][C][Branch1][Ring2][N][C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch2][Ring2][Ring1][=Branch1][=C][C][=C][Ring2][Ring2][Branch1][C@H1][Ring2][Ring2][=Branch2][C][C][C@@][Ring2][Ring2][=N][Ring2][Ring2][P][C][N][=N][Ring2][Branch1][#Branch1][O][C@H1][Branch3][Ring1][=Branch2][Ring1][O][C@@H1][C@@H1][Branch2][Branch2][Ring1][C][N][C][=C][Branch2][#Branch1][#Branch1][C@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][Branch2][Branch1][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][Branch1][C][C][=C][Branch1][Ring2][N][C][C][C][=C][Ring1][#Branch2][C][C][=C][C][Branch1][Ring2][N][C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch2][Ring2][Ring1][=Branch1][=C][C][=C][Ring2][Ring2][Branch1][C@H1][Ring2][Ring2][=Branch2][C][C][C@@][Ring2][Ring2][=N][Ring2][Ring2][P][C][N][=N][Ring2][Branch1][#Branch1][O][C@H1][Branch2][P][=N][O][C@@H1][C@@H1][Branch2][Branch2][Ring2][C][C][N][C][=C][Branch2][#Branch1][#Branch1][C@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][Branch2][Branch1][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][Branch1][C][C][=C][Branch1][Ring2][N][C][C][C][=C][Ring1][#Branch2][C][C][=C][C][Branch1][Ring2][N][C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch2][Ring2][Ring1][=Branch1][=C][C][=C][Ring2][Ring2][Branch1][C@H1][Ring2][Ring2][=Branch2][C][C][C@@][Ring2][Ring2][=N][Ring2][Ring2][P][C][N][=N][Ring2][Branch1][#Branch1][O][C@H1][Branch2][#Branch2][=Branch1][O][C@@H1][C@@H1][Branch2][Branch2][Ring1][C][N][C][=C][Branch2][#Branch1][#Branch1][C@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][Branch2][Branch1][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][Branch1][C][C][=C][Branch1][Ring2][N][C][C][C][=C][Ring1][#Branch2][C][C][=C][C][Branch1][Ring2][N][C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch2][Ring2][Ring1][=Branch1][=C][C][=C][Ring2][Ring2][Branch1][C@H1][Ring2][Ring2][=Branch2][C][C][C@@][Ring2][Ring2][=N][Ring2][Ring2][P][C][N][=N][Ring2][Branch1][#Branch1][O][C@H1][Branch1][P][O][C@H1][Ring3][Ring1][=Branch2][Ring2][C@H1][Branch1][C][O][C@H1][Ring3][Ring1][=Branch2][Branch1][O][C@H1][Branch1][C][O][C@H1][Ring2][=Branch1][Branch1][O][C@H1][Branch1][C][O][C@H1][Ring2][#Branch2][#Branch1][O][C@H1][Branch1][C][O][C@H1][Ring2][=C][Branch2][O][C@H1][Branch1][C][O][C@H1][Ring3][Ring1][C][=Branch2][O][C@H1][Branch1][C][O][C@H1][Ring3][Ring1][=Branch1][#Branch2][O][C@H1][Branch1][C][O][C@H1][Ring3][Ring1][#Branch2][O][O][N][=N][Ring3][Ring1][O][=Branch1][C][=C][C][Branch1][C][C][=C][Branch1][Ring2][N][C][C][C][=C][Ring1][#Branch2][C][Ring3][Ring1][=C][Ring2]
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CHEMBL1078134
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[C][C][Branch1][C][C][C][C][C][C@@][Branch1][C][C][C@H1][Ring1][Branch2][C@H1][Branch1][#C][O][C][=Branch1][C][=O][/C][=C][/C][=C][/C][=Branch1][C][=O][O][C][=C][C][O][C][=Branch1][C][=O][C@@][Ring1][=Branch1][Ring2][Ring1][Branch1][O]
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CHEMBL4116103
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[C][C][C][N][C][C][C][=C][Branch2][Ring1][#C][S][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][S][C][Branch1][C][N][=O][C][Ring2][Ring1][#Branch1]
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CHEMBL608190
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[O][C][C@H1][O][C][Branch2][Ring1][=C][N][C][=N][C][=C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][N][=C][N][=C][Ring1][#C][Ring2][Ring1][C][C@H1][Branch1][C][O][C@@H1][Ring2][Ring1][Branch2][O]
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CHEMBL608706
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[C][C][Branch1][C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][S][S][C][C@@H1][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring2][Branch1][S][=O]
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CHEMBL608707
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[C][O][C@@H1][C@H1][Branch2][O][#C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C@H1][C][S][S][C][C@@H1][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][Ring2][=Branch1][C][=O][C][C@H1][O][C@][Ring2][Branch2][O][Branch1][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][=Branch1][C][Ring1][=Branch2][=C][Ring1][=N][Ring2][Ring1][Ring2][C][=Branch1][C][=O][N][C][Ring1][S]
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CHEMBL1093005
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[C][C][=C][N][Branch3][Ring2][C][Branch1][C@H1][C][C@H1][Branch2][=C][Ring2][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@H1][O][C@@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=N][C][=Ring1][Branch2][Ring1][O][C@H1][Branch1][C][O][C@@H1][Ring1][P][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@H1][O][C@@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=N][C][=Ring1][Branch2][Ring1][O][C@H1][Branch1][C][O][C@@H1][Ring1][P][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@H1][O][C@@H1][Branch1][=N][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][C@H1][Branch1][C][O][C@@H1][Ring1][=C][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@@][C][O][C@H1][Branch2][Ring2][#Branch2][C@@H1][Ring1][Branch1][O][P][Branch1][C][O][=Branch1][C][=S][O][C][C@@][C][O][C@H1][Branch1][Branch1][C@@H1][Ring1][Branch1][O][C@H1][Branch1][=N][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][O][Ring1][S][C@H1][Branch1][=N][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][O][Ring2][Ring2][Branch1][C@@H1][Branch3][Ring1][Branch1][C][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@@H1][C@@H1][Branch3][Ring1][C][=N][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@@H1][C@@H1][Branch2][S][Branch1][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@@H1][C@@H1][Branch2][=N][P][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@@H1][C@@H1][Branch2][O][Branch1][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@@H1][C@@H1][Branch2][Branch2][=N][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C][C@H1][Branch1][S][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][O][C@@H1][Ring1][=C][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C@H1][O][C][C@@][Ring1][Branch1][Branch2][Ring2][=Branch1][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C@H1][O][C][C@@][Ring1][Branch1][Branch1][Ring1][C][O][O][C@H1][Ring1][Branch2][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][O][C@H1][Ring2][Ring1][=N][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@@H1][Ring2][=Branch1][#C][O][O][C@@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=N][C][=Ring1][Branch2][Ring1][O][C@@H1][Ring2][Branch2][=Branch1][O][O][C@@H1][Branch1][=N][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][C@@H1][Ring2][=Branch2][#Branch2][O][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@@H1][Ring2][#Branch2][S][O][O][C@@H1][Branch1][=N][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][C@@H1][Ring2][N][Ring2][O][O][Ring3][Ring1][Ring1][=N][C][=Branch1][C][=O][NH1][C][Ring3][Ring1][Ring2][Ring2][=O]
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CHEMBL162495
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[C][C][=C][C][=C][Branch2][=Branch1][Ring1][C][=C][C][=C][C][Branch2][Branch1][#Branch1][C][C@H1][Branch2][Ring2][=N][N][C][C@H1][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][N][=O][=C][Ring2][Ring2][#Branch1][C][=C][Ring2][Ring2][=N]
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CHEMBL180716
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[O][C][C][N][Branch1][Ring2][C][C][O][C][=N][C][Branch1][#C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=C][N][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][O][C][C][O][N][=C][Branch1][#C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][Ring2][Ring1][#Branch1][=N][Ring2][Ring2][Branch1]
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CHEMBL605628
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[C][C][C@H1][Branch1][C][C][C@H1][Branch2][=C][S][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch2][=N][Ring2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][S][S][C][C@H1][Branch2][#Branch1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C@@H1][Branch1][C][C][C][C][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][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][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@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][O]
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CHEMBL78310
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[Cl][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][C][N][Ring1][=N][Ring1][Branch1][=C][Ring2][Ring1][Ring1]
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CHEMBL264711
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[C][S][C][C][C@H1][Branch2][#Branch2][#Branch2][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][C][C][N][=C][Branch1][C][N][N][C][Branch1][C][N][=O]
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CHEMBL4116109
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[O][C][=C][C][=C][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=C][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2]
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CHEMBL4116110
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[C][O][C][=C][C][=C][Branch2][Branch1][=Branch1][N][Branch1][C][C][C][=C][N][=C][Branch2][Ring1][N][S][C][C][=C][Branch1][C][F][C][=C][Branch1][N][C][#C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=C][F][N][Ring2][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring2][Branch1][O][C]
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CHEMBL607213
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[C][O][C][=C][C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][C][C][C][C][C@@H1][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch2][O][C]
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CHEMBL460994
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[C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][=C][Ring2][Ring1][C]
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CHEMBL1098970
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[C][C][C@H1][Branch1][C][C][C@H1][Branch2][P][Ring2][N][C][=Branch1][C][=O][C@@H1][Branch2][S][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][Branch1][C][N][=O][C@@H1][Branch1][C][C][O][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O]
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CHEMBL1077648
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[C][C][C][C][C@][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@][Branch1][C][C][C][=Branch2][Ring1][P][=C][C][C@@H1][C@@][Branch1][C][C][C][C@H1][Branch1][C][O][C][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring1][C][C@@H1][Ring2][Ring2][C][C@H1][Ring2][Ring2][=Branch1][C]
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CHEMBL1084466
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[C][S][C][C][C@H1][Branch2][=Branch1][#C][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][P][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C@H1][Branch2][=Branch2][P][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][=N][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][C@@H1][S][C][C@@H1][N][C][=Branch1][C][=O][N][C@H1][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][C][N][=O][C][Branch1][C][C][C]
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CHEMBL1092016
|
[C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][N][=N][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][C]
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CHEMBL1086439
|
[C][/C][=Branch2][Ring2][=Branch1][=C][\C][C][=C][Branch1][C][O][C][=C][O][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring1][=C][=C][Ring2][Ring1][Ring1][O][C][O]
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CHEMBL1097210
|
[C][=C][Branch1][Ring1][C][O][C][C@@H1][C][C@H1][Branch1][C][O][C@][Branch1][C][C][O][C@@H1][C][C@@H1][O][C@@H1][C][C@][Branch1][C][C][O][C@][Branch1][C][C][C][C][C@@H1][O][C@@H1][C][C@][Branch1][C][C][O][C@@H1][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C@H1][Ring1][Branch2][C][C@H1][Ring1][=N][O][C@H1][Ring1][P][C][C@@H1][Branch1][C][C][C@H1][Ring2][Ring1][#Branch1][O][C@H1][Ring2][Ring1][=N][C][C@H1][Ring2][Ring2][C][O][C@@][Ring2][Ring2][=Branch1][Branch1][C][C][C][/C][=C][\C@H1][Ring2][Ring2][=N][O][C@H1][Ring2][Ring2][P][C][C@H1][Ring2][Branch1][=Branch1][O][Ring2][Branch1][O]
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CHEMBL1098259
|
[C][C][=Branch1][C][=O][O][C@@H1][Branch1][Ring1][C][O][C@][Branch1][C][C][C][C][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][C@@H1][Ring1][=Branch2][C][C][=C][Branch2][Branch1][Branch1][C@][Branch1][C][O][C][C][C][=C][Branch1][C][O][C][=Branch1][C][=O][C][Branch1][C][C][=C][C][=Ring1][#Branch2][C@@H1][Branch1][Ring2][O][Ring1][#C][C@H1][Branch1][C][O][C@][Branch1][C][C][C][C][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][C@H1][Ring1][#C][Ring1][=Branch2][C][=C][Branch1][C][O][C][=Branch1][C][=O][C][=Ring2][Ring2][Ring1][C]
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CHEMBL1094652
|
[N][C][C@H1][O][C][Branch2][=Branch1][=C][O][C@@H1][C@@H1][Branch1][C][N][C][C@@H1][Branch1][C][N][C@H1][Branch2][Ring2][P][O][C@H1][O][C@H1][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][N][C@H1][Ring2][Ring1][Branch2][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring2][Ring2][=Branch2][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring2][=Branch1][Branch2][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
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CHEMBL1083262
|
[C][C][N][Branch1][Ring1][C][C][C][C].[O][=C][Branch2][=Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][N][Branch2][Branch1][=N][C@@H1][O][C@H1][Branch2][Ring2][=C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][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][C@@H1][Branch1][C][O][C@H1][Ring2][Ring1][#C][O][C][Ring2][Ring2][#Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
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CHEMBL1077336
|
[O][=C][Branch1][C][O][/C][=C][/C][=C][C][=C][Branch2][Branch1][Branch1][N][C][=Branch1][C][=O][C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Ring1][O][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][Ring2][Ring1][O][C][=C][Ring2][Ring2][Ring2]
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CHEMBL577336
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C][C][C]
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CHEMBL577349
|
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][/C][=C][\C][C][C][C][N][Branch2][Ring2][Ring2][C][C@@H1][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C@H1][C][O][C@H1][O][C][C][C@@H1][Ring1][Branch2][Ring1][Branch1][S][Ring2][Ring2][Ring2][=Branch1][C][=O][=O]
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CHEMBL577467
|
[C][O][C][=C][C][Branch2][Ring1][N][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][=C][C][Branch1][C][C][Branch1][C][C][N][Ring1][#Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1]
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CHEMBL610272
|
[C][C][C][C][C][/C][=C][/C][/C][=C][/C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][C@@][Branch1][C][O][C@H1][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@@][Ring1][N][Branch1][N][C][C][N][Ring1][=N][C][C][C][C][Ring1][Ring1][C@H1][Ring2][Ring1][#Branch1][O][Ring1][N]
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CHEMBL610275
|
[C][C][=Branch1][C][=O][N][C@H1][C][C][C@@][Branch1][C][O][C@H1][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@@][Ring1][N][Branch1][N][C][C][N][Ring1][=N][C][C][C][C][Ring1][Ring1][C@H1][Ring2][Ring1][#Branch1][O][Ring1][N]
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CHEMBL1084170
|
[C][C@@H1][C][C@H1][Branch1][C][O][C][C][C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][O][Ring2][Ring1][C]
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CHEMBL1084192
|
[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][=O][O][C][=Branch1][C][=O][N][C@H1][Branch2][O][#Branch2][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][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][P][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][C][C]
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CHEMBL530004
|
[O][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring2][#Branch1][C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][S][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][=C][Ring1][P][C][=C][Ring2][Ring1][#Branch1][C][C][C][N][C][C][Ring1][=Branch1].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
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CHEMBL530034
|
[C][O][C][=C][Branch2][Branch1][Branch1][C][C][C][N][Branch2][Ring2][=Branch2][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][=C][Ring2][Ring1][C][C][C][Ring2][Ring1][#C][C][=C][C][=C][Ring2][Ring2][Branch1][C][C][C][C][Ring1][=Branch1]
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CHEMBL1083593
|
[C][C][=C][C][Branch1][C][C][=C][Branch2][Branch1][Branch2][N][C][Branch1][C][Cl][=C][N][C][Branch2][Ring1][#Branch2][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring2][Ring1][N][Ring2][Ring1][Branch2][C][Branch1][C][C][=C][Ring2][Ring2][Ring2]
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CHEMBL1085285
|
[C][=C][C][=C][Branch2][Ring1][O][C][N][C][C][C][Branch1][S][C][N][C][=N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][P][C][=C][Ring2][Ring1][Branch2]
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CHEMBL1076905
|
[C][C][Branch1][C][C][C@H1][Branch2][#Branch1][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][C@H1][Branch1][C][O][C@H1][Branch1][P][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][=N][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
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CHEMBL1076651
|
[C][C][C@H1][Branch1][C][C][C@H1][Branch2][#Branch1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][125I][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][S][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=N][Ring1][#Branch1][C][=C][Ring1][=N][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]
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CHEMBL1076054
|
[C][O][C][=C][C][=C][Branch2][=Branch1][#Branch1][C@@H1][C@H1][Branch2][Branch1][C][C][C][N][C][=C][Branch2][Ring2][Branch1][C][O][C@H1][C][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][C@@H1][Ring1][N][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][N][=N][Ring2][Ring1][O][C][=Branch1][C][=O][N][Ring2][Ring2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring2][=C]
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CHEMBL610892
|
[C][=C][C][N][C][C][C@][C][C][=Branch1][C][=O][C][C][C@@][Ring1][#Branch1][Branch1][Ring2][O][C][C][C@H1][Ring1][=C][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][Ring2][Ring1][Ring2]
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CHEMBL609157
|
[C][C][N][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=N][O][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][N][=N][N][Branch1][C][C][N][=Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][F]
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CHEMBL609423
|
[C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2].[C][N+1][Branch1][C][C][Branch2][Branch1][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][N+1][Branch1][C][C][Branch1][C][C][C][C][O][C][C][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2][C][C][O][C][C][C][O][Ring1][=Branch1].[Br-1].[Br-1]
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CHEMBL1076775
|
[C][C][C@H1][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][#Branch2][O][C@@H1][O][C@H1][Branch1][C][C][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring1][#Branch2][O][C][Branch1][C][C][=O][C@][Branch1][C][C][Branch1][C][O][C][C@@H1][Branch1][C][C][C][N][Branch1][C][C][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@][Ring2][Ring2][Branch2][Branch1][C][C][O]
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CHEMBL1076656
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[C][C][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][N][C][C@H1][C][C][C][C][C@H1][Ring1][=Branch1][C@H1][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][C][Ring1][#C][C][Ring2][Ring1][O]
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CHEMBL580312
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[S][=C][Branch2][Ring1][=C][N][C][C][C][C][C][N][C][C][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][#C][N][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1]
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CHEMBL154818
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[C][C][C][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][O][C][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][NH1][N][=Ring1][=Branch1]
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CHEMBL583929
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[C][C][Branch1][C][C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][Ring2][=Branch1][#C][=O]
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CHEMBL589825
|
[O][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][Cl][C][C][Cl][C][=C][Ring1][=N]
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CHEMBL591201
|
[C][O][C][=Branch1][C][=O][N][C][C][C][=N][NH1][C][=C][Ring1][Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Ring1][Branch2][=O]
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CHEMBL1077407
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[O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][=C][Branch2][Ring1][=Branch1][C@H1][C][C][C@H1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch2][=O]
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CHEMBL1090255
|
[C][C][C][Branch1][C][C][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][=N][C][C][N][C][C][=C][Branch1][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=N][C][Branch1][C][C][=C][Ring1][=N][O][C][=Branch1][C][=O][N][C@@H1][Branch2][=N][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][=N][C][C][N][C][C][=C][Branch1][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=N][C][Branch1][C][C][=C][Ring1][=N][O][C][=Branch1][C][=O][N][C@H1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][=N][C][C][N][C][C][=C][Branch1][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=N][C][Branch1][C][C][=C][Ring1][=N][O][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][=N][C][C][N][C][C][=C][Branch1][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=N][C][Branch1][C][C][=C][Ring1][=N][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][N][N][C][Ring2][#Branch1][C][=O][C@@H1][Branch1][C][C][O]
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CHEMBL1091763
|
[C][O][C][O][C@@H1][Branch2][Ring1][P][C@H1][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C@@H1][O][C][Branch1][C][C][Branch1][C][C][O][C@H1][Ring1][#Branch1][C][O]
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CHEMBL1209153
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[O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][O][/N][=C][Branch1][=Branch2][\C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1]
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CHEMBL1090633
|
[C][C][Branch1][C][C][C][C@H1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C][S][S][C][Branch1][C][C][Branch1][C][C][C@H1][Branch2][S][Ring2][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][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][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][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][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C][S][S][C][Ring2][#Branch1][Ring1][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][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][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring2][#C][N][C]
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CHEMBL162493
|
[O][=C][Branch2][Branch1][Ring1][N][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2][C@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2]
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CHEMBL1076963
|
[C][C][Branch1][C][C][C][C@H1][Branch2][P][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch2][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][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][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][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][=Branch1][C][=O][O]
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CHEMBL1076906
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[C][C][Branch1][C][C][C@H1][Branch2][#Branch1][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][C@H1][Branch1][C][O][C@H1][Branch1][P][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][=N][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
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CHEMBL1077453
|
[C][=C][C@][Branch1][C][C][Branch3][Ring1][Ring1][Ring1][C][C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][O][C@@H1][C@@H1][Branch1][C][C][O][C@@H1][Branch2][P][Ring2][O][C@][Branch1][C][C][Branch1][Ring1][C][=C][C][C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][O][C@@H1][C@@H1][Branch1][C][C][O][C@@H1][Branch2][=C][N][O][C@][Branch1][C][C][Branch1][Ring1][C][=C][C][C][/C][=C][Branch1][C][/C][C][=Branch1][C][=O][O][C@H1][C][C@@][Branch2][Branch1][O][C][=Branch1][C][=O][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][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][P][O][C@@H1][O][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][C][O][C@@H1][Branch1][#Branch2][C][C][Ring2][Ring2][#Branch1][Branch1][C][C][C][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Branch1][N][O][C@@H1][O][C@H1][Branch2][Ring1][Branch1][C][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][Branch1][C][O][C@H1][Ring2][Ring1][Ring2][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][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring2][#Branch2][C][C][C@@][Ring2][Ring2][=C][Branch1][C][C][C@][Ring2][Branch1][Ring1][Branch1][C][C][C][C@H1][Ring2][#Branch1][=N][O][C@H1][Branch1][C][O][C@H1][Ring2][=Branch2][Branch1][O][C@H1][Branch1][C][O][C@H1][Ring2][#Branch2][O][O][O][C@@H1][O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O]
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CHEMBL1076712
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[C][C][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][NH1][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Ring1][#Branch2][=O]
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CHEMBL1078817
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[C][N+1][Branch1][C][C][Branch1][C][C][C][C][N][N+1][Branch1][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O].[I-1].[I-1]
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CHEMBL532261
|
[C][O][C][=C][C][=C][C][=Branch2][Ring1][=Branch1][=N][N][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][C][=C][Branch1][C][C][NH1][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2]
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CHEMBL1096572
|
[C][C][=Branch1][C][=O][O][C@@][C][O][C@@H1][Ring1][Ring2][C][C@H1][Branch1][C][O][C@@][Branch1][C][C][C][=Branch1][C][=O][C@H1][Branch1][O][O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Branch1][C][C][C@@H1][Branch2][Ring1][S][O][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@H1][Branch1][#Branch1][C][=C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C@@H1][O][C][=Branch1][C][=O][O][C@][Ring1][=Branch1][Branch2][Ring1][Branch2][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring2][Ring2][P][Ring2][Branch1][Branch2][C][Ring2][Ring2][#Branch1][Branch1][C][C][C]
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CHEMBL1084953
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[C][N][Branch1][C][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2]
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CHEMBL1084974
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[C][N][C][C][N][Branch2][=Branch1][C][C][=C][C][=C][C][Branch2][Branch1][=Branch1][C][C][=N][N][C][Branch1][C][N][=C][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][=C][Ring2][Ring1][C][C][=N][C][=Ring2][Ring1][N][Ring2][Ring1][=Branch2][=C][Ring2][Ring2][C][C][C][Ring2][Ring2][Branch2]
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CHEMBL549249
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[O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][Branch2][Ring1][=N][C][C][C][C][C][N][C][C][=C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][#C][C][C][C][Ring2][Ring1][#Branch2]
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CHEMBL1075967
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[C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][Branch2][=Branch1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][N][C][=Branch1][C][=S][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=Branch1][O][C][Ring1][=Branch1][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring1][C][C][C][C][/C][=C][\C][C][C][C][C][C][N][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][Branch1][C][N][=O][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][Ring2][Branch2][#Branch1][=O]
|
CHEMBL591912
|
[C][O][C][=C][C][=C][C][=C][Branch2][Ring1][N][C@H1][Branch1][C][O][C@H1][Branch1][C][C][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O][Cl]
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CHEMBL590250
|
[C][C][Branch1][C][C][N][Branch1][Ring2][C][C][O][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2]
|
CHEMBL590259
|
[C][C][C][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][Branch1][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][=C][C][Branch1][=N][N][C][C][C][Branch1][Ring2][C][O][C][C][Ring1][Branch2][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2][C][C][Ring2][Ring2][Branch1]
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CHEMBL555862
|
[Cl].[N][C][C][C][C][C@@H1][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][Branch1][Ring1][C][S][C][=Branch1][C][=O][N][Ring1][=N][C][=Branch1][C][=O][O]
|
CHEMBL553689
|
[C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][/C][=Branch1][Ring1][=N][/O][C][=Branch1][C][=O][N][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]
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CHEMBL261102
|
[C][C][=C][C][=C][C][Branch2][Branch1][C][N][C][C][N][Branch2][Ring2][=Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][#C][=C][Ring2][Ring2][Branch1][C]
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