chembl_id
stringlengths 7
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stringlengths 3
6.7k
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CHEMBL17332
|
[O][=S][=Branch1][C][=O][Branch2][Ring1][=N][N][C][=C][C][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C]
|
CHEMBL17272
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][N][C][C][C][Branch2][Ring1][=N][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch1]
|
CHEMBL17350
|
[C][C@@H1][Branch1][S][C@@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][C][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N]
|
CHEMBL17352
|
[C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=N][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][P][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL17354
|
[C][S][C][S][C][Branch1][Branch2][C][C][=C][NH1][N][=Ring1][Branch1][=C][C][=Ring1][#Branch2][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2]
|
CHEMBL17124
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][C][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][Branch1][C][O][=C][Branch1][Ring1][\C][#N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
|
CHEMBL17125
|
[C][C][=N][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][NH1][Ring1][P]
|
CHEMBL17126
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#C][C][S][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][C][=Ring1][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL16855
|
[C][O][N][Branch1][C][C][C][=N][C][=Branch1][C][=O][/C][=Branch2][Ring1][P][=C][/C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#C][S][Ring2][Ring1][=Branch1]
|
CHEMBL16856
|
[C][C][Branch1][C][C][C][Branch2][Ring1][=C][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][=N][Ring1][=Branch1][=C][Ring1][S][C][=C][Branch1][C][O][C][=C][Branch1][=Branch1][O][C][Ring1][#Branch1][=O][C][C][C][C][C][C][Ring1][O]
|
CHEMBL16793
|
[C][C][C][=C][Branch1][S][S][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][N][Branch1][=Branch1][C][O][C][C][O][C][=Branch1][C][=S][NH1][C][Ring2][Ring1][Branch1][=O]
|
CHEMBL16795
|
[C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch2][Ring1][Ring1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][Ring2][Ring1][Ring1][C][N][C][Ring1][=C][=O]
|
CHEMBL16796
|
[O][C][Branch2][Ring1][N][C][Branch1][#C][C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][Branch1][#C][C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL16797
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][S][C][S][C][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][O]
|
CHEMBL16878
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][S][C][=N][N][=C][Branch1][#Branch1][N][=C][Branch1][C][N][N][O][Ring1][=Branch2][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][Ring1][O]
|
CHEMBL17334
|
[O][=C][N][C][C][=C][C][=C][Branch2][Ring1][S][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][NH1][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL17421
|
[O][=S][N][C][Branch2][Ring1][C][C][C][=C][NH1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch2][Ring1][#Branch1][=N][O][Ring1][S]
|
CHEMBL17422
|
[C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=N][C@H1][C][C][C][C][C][C][C@H1][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C@][Ring1][Branch2][Branch1][C][C][C][Ring1][=N][C][C][C@@][Ring1][P][Ring2][Ring1][Ring2][C]
|
CHEMBL17423
|
[C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][Ring1][P][C][=C][Ring2][Ring1][=Branch2][O][C]
|
CHEMBL17424
|
[C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][Branch1][#Branch2][S][S][C][=N][C][=C][S][Ring1][Branch1][S][C][Branch1][Branch2][C][C][=C][NH1][N][=Ring1][Branch1][=C][Ring1][P][C][Ring2][Ring1][#Branch1]
|
CHEMBL17356
|
[O][=S][=Branch1][C][=O][Branch1][Branch1][O][C][C][Cl][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL17437
|
[C][C][Branch1][C][C][N][C][C][=C][C][=C][Branch2][Ring2][#Branch2][C@H1][C][C@H1][Branch2][Ring1][#C][S][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][C][O][C@H1][Ring1][Branch2][C@H1][Ring1][=C][C][C][N][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O]
|
CHEMBL17438
|
[C][C][C][=Branch1][C][=O][O][C][C][C][N][C][Ring1][Branch1][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][Ring1][N][=N]
|
CHEMBL17439
|
[O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][N][Branch1][=N][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S]
|
CHEMBL17440
|
[O][C][C][C][C][C][C][C][C][C][C][C][C][O]
|
CHEMBL3309773
|
[O][=C][Branch1][C][O][C][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][Ring2][Ring1][Ring2][=O]
|
CHEMBL16857
|
[C][#C][C][N][Branch1][C][C][C@@H1][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL16860
|
[C][C][=Branch1][C][=O][N][C][C@H1][C][N][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][Ring1][S]
|
CHEMBL16861
|
[C][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring1][P]
|
CHEMBL16943
|
[C][O][C][=C][C][Branch2][Ring1][C][N][C][C][Branch1][Branch2][C][N][C][Branch1][C][C][=O][O][C][Ring1][#Branch2][=O][=C][C][=C][Ring1][P][C][Branch1][C][C][=O]
|
CHEMBL16944
|
[O][=C][Branch1][C][O][C@@H1][C][C@H1][C][C@@H1][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][C][C@H1][Ring1][P][C][N][Ring2][Ring1][Branch1]
|
CHEMBL3309841
|
[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][Branch2][Branch1][#C][N][C][=N][C][Branch2][Ring1][S][N][C][=Branch1][C][=S][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][C][Branch1][P][N][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][=N][Ring2][Ring2][Branch1][=C][Ring2][Ring2][N]
|
CHEMBL16879
|
[C][C][=C][C][Branch1][=Branch1][C][N][C][C][O][=C][Branch1][C][O][C][Branch1][=Branch1][C][N][C][C][O][=C][Ring1][P]
|
CHEMBL16881
|
[C][O][C][=N][N][=C][Branch2][Ring1][S][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#C][S][Ring2][Ring1][Ring2]
|
CHEMBL16882
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@H1][Branch1][#Branch2][O][C][=Branch1][C][=O][N][C][C][O][C][C][Ring2][Ring1][Ring1]
|
CHEMBL16883
|
[C][O][C][=C][C][Branch1][C][Br][=C][Branch1][Ring1][O][C][C][Branch1][#Branch1][C][C][Branch1][C][C][N][=C][Ring1][=N]
|
CHEMBL3309843
|
[F][C][=C][C][=C][Branch2][Branch1][#Branch2][N][C][=N][C][Branch2][Ring1][#C][N][C][=Branch1][C][=S][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring2][C][C][=C][Ring2][Ring2][=Branch2]
|
CHEMBL17426
|
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][=N][O][C][C][C][N][C][C][C][Branch2][Ring1][=N][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][P]
|
CHEMBL17167
|
[C][C][C][N][C][=Branch1][C][=O][C][N][=C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1][NH1][C][=Ring2][Ring1][#Branch2][N][Branch1][Ring2][C][C][C][C][Ring2][Ring2][C][=O]
|
CHEMBL17168
|
[C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C@H1][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C][C][C@][Ring1][Branch2][Branch1][C][C][C][Ring1][=N]
|
CHEMBL3309659
|
[O][=C][O][C][C][=C][Ring1][Branch1][C][Branch2][Ring1][C][C][=C][C][Branch1][C][F][=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][O]
|
CHEMBL17441
|
[N][C][C][C][C][N][C][=N][C][Branch1][C][N][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=N][Ring1][P]
|
CHEMBL17192
|
[C][/C][=C][\C][C@H1][C][=N][C][=C][C][Branch1][C][O][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Ring1][#C][C][Ring2][Ring1][C]
|
CHEMBL17193
|
[C][N][Branch1][Ring1][C][=O][C@H1][C][C][C][C][C][C][C@H1][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C@][Ring1][Branch2][Branch1][C][C][C][Ring1][=N][C][C][C@@][Ring1][P][Ring2][Ring1][Ring2][C]
|
CHEMBL17194
|
[C][C][C][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][C][C@H1][C][C][C][C][C][C][C@H1][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C@][Ring1][Branch2][Branch1][C][C][C][Ring1][=N][C][C][C@@][Ring1][P][Ring2][Ring1][Ring2][C]
|
CHEMBL16945
|
[C][N][C][=Branch1][C][=O][O][C@H1][C][C][C@][Branch1][P][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch2]
|
CHEMBL16947
|
[O][=C][Branch1][O][/C][=C][/C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL17031
|
[O][=C][N][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=C][Ring2][Ring1][Ring1][Ring2][Ring1][=Branch1]
|
CHEMBL16965
|
[N][C][=N][C][Branch2][Ring2][=Branch1][N][C][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring2][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring2][Ring1][P][Ring1][=Branch1]
|
CHEMBL16966
|
[C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][N][C][=C][C][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C]
|
CHEMBL16967
|
[C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][C][=C][Branch1][P][N][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][O][C][Branch1][C][C][=O][C][Ring2][Ring1][C][=N]
|
CHEMBL16968
|
[C][C][C][C][=C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch1][C][O][C][C][O][C][=Branch1][C][=O][NH1][C][Ring2][Ring1][Ring1][=O]
|
CHEMBL16969
|
[C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Ring2][N][C][=N][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring2][Ring1][=Branch1][NH1][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][#C]
|
CHEMBL16970
|
[C][C][=C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][=C][Ring2][Ring1][Ring1][O]
|
CHEMBL17169
|
[C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][P][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=C][Ring2][Ring1][C]
|
CHEMBL17170
|
[C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][S][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][Ring1][P]
|
CHEMBL17171
|
[N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]
|
CHEMBL17253
|
[C][C][N][Branch2][Ring2][C][C][=Branch1][C][=O][C][=C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL17254
|
[C][O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][C][=C][Ring1][=Branch2][O][C][C][C][N][C][C][C][Branch2][Ring2][Ring1][C][Branch1][C][O][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][C][Ring2][Ring1][Branch2]
|
CHEMBL17273
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][S][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][NH1][Ring2][Ring1][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL587
|
[C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][Ring1][=Branch1]
|
CHEMBL17275
|
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][=N][O][C][C][C][N][C][C][C][Branch2][Ring1][=N][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][S]
|
CHEMBL17032
|
[C][C@][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][N][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=C][=O]
|
CHEMBL17034
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][O]
|
CHEMBL17127
|
[N][C][=N][C][=C][Branch1][S][C][=N][N][Ring1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring2][Ring1][=Branch2][Ring1][#Branch2]
|
CHEMBL17128
|
[C][N][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][Branch2][=C][Ring1][N][C][Ring1][#C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][N][C]
|
CHEMBL17054
|
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][Ring1][O][C][C][S][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL17056
|
[C][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL17057
|
[C][C][Branch1][P][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL17058
|
[C][C][=Branch1][C][=O][N][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Ring1][N][C][=Branch1][C][=O][N][C@H1][C][C][S][C][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][N][C][Ring2][Ring1][=Branch1][=O]
|
CHEMBL17255
|
[C][=C][Branch1][C][Br][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][Cl]
|
CHEMBL17257
|
[C][C@][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][N][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=C][=O]
|
CHEMBL17335
|
[C][C][C][C][=N][N][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][Ring2][C][C][C][N][=N][Ring1][=N]
|
CHEMBL17336
|
[C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C@H1][Branch1][Ring2][N][=C][=S][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][C][C][C][C][C@@H1][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1]
|
CHEMBL17357
|
[N][C][C][C][=C][C][=C][Branch1][C][O][C][N][=C][Branch1][C][O][S][C][Ring1][O][=Ring1][=Branch1]
|
CHEMBL17358
|
[O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][N]
|
CHEMBL17360
|
[C][O][C][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][Cl][C][C][Cl][C][=C][Ring1][=N]
|
CHEMBL17361
|
[C][O][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C][C][=Branch1][C][=O][O][C]
|
CHEMBL17362
|
[C][C][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2]
|
CHEMBL17129
|
[C][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][N][Branch2][Ring2][#Branch1][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][Ring1][#Branch1][C][Ring2][Ring2][Branch1][=O]
|
CHEMBL17130
|
[C][O][C@@H1][Branch2][Branch1][O][C@H1][Branch1][C][O][C][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C@@H1][Branch1][C][O][C][C][C@@H1][Branch1][C][C][C@@H1][O][C@@][Branch1][#Branch1][C][C][C@@H1][Ring1][=Branch1][C][C][C][C@@H1][Branch1][C][C][C@H1][Branch1][N][C][C][C@H1][Branch1][C][C][C][Branch1][C][C][=O][O][Ring2][Ring1][C][C@H1][Branch2][Ring1][=Branch2][O][C][=Branch1][C][=O][C][C@@H1][Branch1][C][O][C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=O][C][Branch1][C][C][C]
|
CHEMBL17131
|
[N][C][=Branch1][C][=O][N][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][C][=C][Ring1][=N][N][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL16862
|
[C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL16863
|
[C][N][C][=Branch1][C][=O][C][C][C@][Branch1][C][C][C][C][C][C@@][Branch1][C][C][C][Branch2][Ring1][Branch1][C][C][C@@H1][Ring1][=Branch1][N][Branch1][Ring1][C][=O][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][Ring1][C][C][C@@H1][Ring2][Ring1][=N][Ring2][Ring1][Branch2]
|
CHEMBL16798
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1]
|
CHEMBL16799
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][O][Ring1][S]
|
CHEMBL16800
|
[C][C][C][C][C][C][C][C][C][#C][C][/C][=C][\C][=C][\S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C]
|
CHEMBL16803
|
[C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][C][C][Branch1][C][O][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O]
|
CHEMBL16884
|
[N][#C][C][N][N][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][O][C][Ring2][Ring1][Ring1][=O]
|
CHEMBL17338
|
[C][C][C][NH1][C][Branch1][C][O][=N][C][=Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O]
|
CHEMBL17339
|
[C][C][Branch1][C][C][N][C][Branch2][Ring2][N][C][=C][C][=C][Branch2][Ring1][S][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][NH1][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][=N][O][Ring2][Ring1][=C]
|
CHEMBL17481
|
[O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring2][=N][O][C][C][C][N][C][C][C][Branch2][Ring1][=N][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][S]
|
CHEMBL17482
|
[C][C][=N][C][Branch2][Ring2][N][C][=C][C][=C][Branch2][Ring1][S][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][NH1][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][=N][O][Ring2][Ring1][=N]
|
CHEMBL17442
|
[C][O][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][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch2][O][C]
|
CHEMBL17443
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][C][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][Ring1][P][O][C]
|
CHEMBL17444
|
[C][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][=Branch1][=C][Ring1][Branch2][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=O]
|
CHEMBL17445
|
[N][C][C][=C][C][=C][Branch2][Ring1][S][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][NH1][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL17446
|
[O][=C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][#Branch2][C][#C][C][=C][C][=C][O][Ring1][Branch1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring2][Ring1][=Branch1]
|
CHEMBL16864
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]
|
CHEMBL16866
|
[C][C][N][C][=Branch1][C][=O][C][N][=C][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C][NH1][C][=Ring2][Ring1][#Branch1][N][Branch1][Ring1][C][C][C][Ring2][Ring1][=C][=O]
|
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