chembl_id
stringlengths 7
13
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stringlengths 3
6.7k
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CHEMBL16867
|
[N][C][=N][C][=N][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring2][Ring1][=Branch2][Ring1][#Branch2]
|
CHEMBL16948
|
[O][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][O][N][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][Ring2][Ring1][C]
|
CHEMBL16949
|
[O][=S][=Branch1][C][=O][Branch1][Branch1][O][C][C][F][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl]
|
CHEMBL16885
|
[C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O]
|
CHEMBL16886
|
[C][#C][C@][Branch1][C][O][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][=C][Ring1][O][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring2][Ring1][Ring2][Ring2][Ring1][Branch2][C]
|
CHEMBL16887
|
[C][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][N][Branch1][C][O][C][=C][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][=C][C][=C][Ring2][Ring1][Branch2][Ring2][Ring1][Ring1]
|
CHEMBL16888
|
[N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][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]
|
CHEMBL16971
|
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C][N][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL17483
|
[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]
|
CHEMBL17172
|
[O][C][C][N][C][C][N][Branch2][Ring1][O][C][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch2]
|
CHEMBL17173
|
[C][C][C][N][C][=Branch1][C][=O][C][N][=C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][Branch2][=O][C][=C][Ring2][Ring1][Ring2][NH1][C][=Ring2][Ring1][=Branch2][N][Branch1][Ring2][C][C][C][C][Ring2][Ring1][P][=O]
|
CHEMBL17196
|
[N][C][=N][C][Branch2][Ring1][#C][N][C][C][C][C][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring2][Ring1][S][Ring1][=Branch1]
|
CHEMBL17197
|
[C][S][=Branch1][C][=O][=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]
|
CHEMBL592
|
[C][N][C][C][C@][C][C][C][C][C@H1][Ring1][=Branch1][C@H1][Ring1][#Branch2][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Ring1][#C]
|
CHEMBL17198
|
[O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C@@H1][Branch2][Ring1][P][N][C][C][C][Branch1][C][O][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][C][Ring1][P][C@H1][Ring2][Ring1][Branch2][O]
|
CHEMBL3309774
|
[O][=C][Branch1][C][O][C][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][=C][C][Ring2][Ring1][Branch1][=O]
|
CHEMBL16950
|
[C][O][C][=C][C][Branch2][Ring1][=Branch1][N][C][C][=C][O][C][=N][C][Branch1][C][N][=N][C][Branch1][C][N][=C][Ring1][O][Ring1][Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C]
|
CHEMBL16951
|
[C][=C][C][O][C][=C][C][=C][Branch2][Ring1][=C][C][N][=C][N][Branch2][Ring1][C][C][=Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][O][C][C][=C][C][=C][Ring1][#Branch2][C][C][S][Ring1][S][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL16952
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=N][C][S][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL17038
|
[O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][N][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL16972
|
[C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][O][Ring1][N][C][=C][Ring2][Ring1][C]
|
CHEMBL16973
|
[C][C][C][C][O][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=N][C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][=C][Ring1][O][=C][S][Ring1][S]
|
CHEMBL16974
|
[C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][Ring1][=N]
|
CHEMBL16975
|
[O][=C][N][Branch1][C][O][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL17059
|
[O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][Branch1][Ring2][C][N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL17174
|
[C][C][C][NH1][C][Branch1][C][O][=N][C][=Ring1][=Branch1][C][=Branch1][C][=O][O][C]
|
CHEMBL17175
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O]
|
CHEMBL17258
|
[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]
|
CHEMBL3309720
|
[C][C][C][C][=N][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][C][=N][C][Branch1][C][N][=N][N][Ring1][S][Ring1][=Branch1]
|
CHEMBL17276
|
[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][=C][Ring1][=Branch1][=N][C][=Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL17277
|
[O][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][N][Branch2][Ring1][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Branch2]
|
CHEMBL17278
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1]
|
CHEMBL591
|
[C][#C][C][Branch1][C][O][Branch1][Ring2][/C][=C][/Cl][C][C]
|
CHEMBL17279
|
[C][C][=Branch1][C][=O][O][C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL3309776
|
[O][=C][Branch1][C][O][C][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][Ring1][C][Ring2][Ring1][#Branch2][=O]
|
CHEMBL17040
|
[C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][C][O][C][=O]
|
CHEMBL17041
|
[C][C][C][Branch1][C][C][C][Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1]
|
CHEMBL17042
|
[N][C][C][C][C][C][Ring1][Ring2][C][C][Ring1][=Branch1][C][Ring1][=Branch1][C][Ring1][=Branch1][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL17132
|
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][=C][N][Branch1][N][C][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][S][Ring1][N][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL17133
|
[C][O][C][=C][C][=C][Branch2][Ring1][=C][C][N][=C][N][Branch1][S][C][=Ring1][Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][=Branch1][C][=O][S][Ring1][#C][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL17060
|
[C][=C][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][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][#Branch2][/C][=C][/C][Branch1][C][C][=C][/C@H1][Branch1][C][C][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][=Branch1][C][=O][N][Ring2][=Branch1][C][C]
|
CHEMBL17061
|
[C][N][Branch1][C][C][C][C][Branch1][C][O][C][O][N]
|
CHEMBL17062
|
[C][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][Branch1]
|
CHEMBL17063
|
[C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][/C][=C][/C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=C][Ring2][Ring1][C]
|
CHEMBL17064
|
[C][C][Branch1][C][C][Branch1][C][C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][S][Ring2][Ring1][=Branch1]
|
CHEMBL17065
|
[C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][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]
|
CHEMBL17260
|
[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][Ring1][=N][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch1]
|
CHEMBL17262
|
[O][=C][Branch1][=N][N][C][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][O][C][C][Ring2][Ring1][Ring2]
|
CHEMBL17340
|
[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][#C][C][C][=Branch1][C][=O][N][C][C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring2][Ring2][Ring1][=O]
|
CHEMBL17514
|
[C][C][C][C][N][Branch1][=Branch1][C][Branch1][C][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]
|
CHEMBL17515
|
[N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][C][C][C][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL17516
|
[O][=C][C][C][C][=C][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=C][C][=C][Ring1][O][N][Ring1][#C]
|
CHEMBL17517
|
[C][C][C][NH1][C][Branch1][C][O][=N][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][N][C][=C][N][=C][Ring1][Branch1]
|
CHEMBL17598
|
[C][C][C][C][C][O][C][=Branch1][C][=O][N][N][=C][Branch1][Ring2][C][C][C][N][=N][C][Ring1][=Branch2][C][C][C]
|
CHEMBL3310027
|
[C][O][C][=C][C][=C][Branch2][Ring2][Ring2][/C][=C][/C][=Branch2][Ring1][Ring1][=N][\N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][N]
|
CHEMBL17537
|
[O][=S][=Branch1][C][=O][Branch1][Branch1][O][C][C][Cl][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][F]
|
CHEMBL17538
|
[C][/N][=C][Branch1][C][/S][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][N]
|
CHEMBL17539
|
[C][O][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][N][=N][C][Ring1][#Branch1][C]
|
CHEMBL4543452
|
[O][=C][Branch1][P][C][C][C][=Branch1][C][=O][N][C][=N][C][=N][N][Ring1][Branch1][Ring1][=Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
|
CHEMBL17541
|
[N].[O][=C][Branch1][C][O][C][C][Branch1][C][O][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O]
|
CHEMBL17625
|
[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]
|
CHEMBL3310031
|
[C][C][O][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][/N][=N][/N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2]
|
CHEMBL3310048
|
[C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][Branch1][C][C][=N][C][=C][Branch1][C][I][C][=C][Branch1][C][I][C][=C][Ring1][Branch2][C][Ring1][=N][=O][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL17299
|
[C][C][C][N][C][=Branch1][C][=O][C][N][=C][Branch2][Ring2][#Branch1][C][=C][C][=C][Branch2][Ring1][O][O][C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2][NH1][C][=Ring2][Ring1][=N][N][Branch1][Ring2][C][C][C][C][Ring2][Ring2][Branch1][=O]
|
CHEMBL17300
|
[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@@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]
|
CHEMBL17301
|
[C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL17385
|
[C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][Branch1][C][O][=C][Branch1][Ring1][\C][#N][C][=C][C][=N][C][=C][Ring1][=Branch1]
|
CHEMBL17319
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][N][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O][C][C@@][Branch1][C][O][Branch1][=Branch1][C][Branch1][C][C][=O][C][C@@H1][Ring1][#C][O][C][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][C][Branch1][C][O][C][Branch1][C][C][O][Ring2][Ring1][Branch1]
|
CHEMBL586
|
[O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O]
|
CHEMBL17322
|
[C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
|
CHEMBL17324
|
[C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O]
|
CHEMBL17405
|
[F][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][=C][N][Branch1][#C][C][=Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][S][Ring1][=N][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL17406
|
[C][C][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][S]
|
CHEMBL17407
|
[O][C][C][C][C][C][C][C][C][C][C][C][Branch1][C][Br][C][O]
|
CHEMBL17599
|
[C][C][C][C][=N][N][Branch1][=C][C][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][Ring2][C][C][C][N][=N][Ring2][Ring1][C]
|
CHEMBL17600
|
[C][C][C@H1][C@@H1][Branch2][Branch1][Ring1][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C][N][C][C@H1][C][C][C][C][C@H1][Ring1][=Branch1][C][C@H1][Ring1][#Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][C][S][Ring2][Ring2][Branch1][=Branch1][C][=O][=O]
|
CHEMBL17601
|
[C][C][N][Branch2][=Branch1][Ring1][C][=Branch1][C][=O][C][=C][N][Branch2][Ring2][Branch2][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][Branch2][O][C][C][C][C][C][C][C][C][N+1][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][Ring1][Branch2][=C][Ring2][Ring1][=Branch2][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][Ring2][Ring2][Branch1][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2].[Br-1]
|
CHEMBL17602
|
[C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][C][N][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][NH1][C][=Ring1][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][N]
|
CHEMBL17604
|
[C][O][C][=C][C][=C][Branch2][Ring1][#C][C][N][=C][N][Branch2][Ring1][Ring1][C][=Ring1][Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][F][=C][Ring1][=Branch2][C][C][S][Ring1][#C][C][=C][Ring2][Ring1][#Branch1][F]
|
CHEMBL17605
|
[C][N][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N]
|
CHEMBL17690
|
[O][=C][NH1][C][=Branch1][C][=O][N][Branch1][=Branch1][C][O][C][C][O][C][=C][Ring1][N][C][C][=C][C][=C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][=C]
|
CHEMBL17626
|
[N][=C][Branch1][C][N][N][C][C][C][Branch2][Branch1][#Branch1][C][N][C][=Branch1][C][=O][C@@H1][C][C][C@H1][C][N][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring2][Ring1][Branch2][Ring2][Ring1][O][C][C][Ring2][Ring2][Branch1]
|
CHEMBL17627
|
[O][=C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][#Branch2][C][#C][C][C][=C][S][C][=Ring1][Branch1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring2][Ring1][=Branch1]
|
CHEMBL17628
|
[C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][C][=C][Branch1][O][N][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][C][Ring1][=C][=N]
|
CHEMBL17714
|
[O][=S][=Branch1][C][=O][Branch2][Ring2][Ring1][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][NH1][Ring2][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F]
|
CHEMBL3310049
|
[C][C][=N][C][=C][Branch1][C][I][C][=C][Branch1][C][I][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Ring1][=N][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][S]
|
CHEMBL3310050
|
[C][C][=N][O][C][Branch2][Ring2][=N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][Branch1][C][C][=N][C][=C][Branch1][C][I][C][=C][Branch1][C][I][C][=C][Ring1][Branch2][C][Ring1][=N][=O][C][=C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][=N][C]
|
CHEMBL17386
|
[C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL17387
|
[O][=C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][O][Ring1][=N]
|
CHEMBL17388
|
[O][=C][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][Branch1][O][C][#C][C][=C][C][=C][C][=N][Ring1][=Branch1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring2][Ring1][Branch2]
|
CHEMBL17389
|
[C][S+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][S][C][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][NH1][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL4543506
|
[N][C][C][C][O][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][Ring1][#Branch2]
|
CHEMBL4543507
|
[O][=C][Branch2][Ring1][Branch2][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
|
CHEMBL4543508
|
[C][N][C][=C][Branch2][Ring1][Ring2][C][N][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1]
|
CHEMBL4543509
|
[C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][#Branch2]
|
CHEMBL4543510
|
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Branch2][Ring1][#Branch1][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2]
|
CHEMBL4543511
|
[C][/C][=Branch1][Branch2][=N][\N][C][=Branch1][C][=N][N][C][S][C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][O][C][C][C][C][N][C][C][S][C][Ring1][Branch1][C][=C][Ring1][S][=N][C][=Ring2][Ring1][Branch1][C]
|
CHEMBL4543512
|
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][Ring2][Ring1][#Branch2][=O]
|
CHEMBL4543513
|
[Cl].[N][C][C][C][C][C][N][C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][S][C][N][=C][NH1][C][=Branch1][C][=O][C][Ring1][#Branch2][=Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL4543514
|
[C][N][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][Ring1][P]
|
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