chembl_id
stringlengths 7
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stringlengths 3
6.7k
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CHEMBL10733
|
[C][O][C][=C][C][=C][Branch2][Ring2][O][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][S][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=C]
|
CHEMBL10734
|
[C][C][=Branch1][C][=O][O][C][C][N][Branch1][=Branch2][C][C][O][C][Branch1][C][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL10673
|
[O][=C][Branch2][Ring2][=Branch2][N][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL10674
|
[C][O][C@H1][Branch1][O][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][#C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2][C][=C][Ring1][=C][C][=Branch1][C][=O][O]
|
CHEMBL10675
|
[C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C@H1][Branch1][=C][N][C][=Branch1][C][=O][O][C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][#Branch2]
|
CHEMBL10676
|
[C][O][C][=C][C][=C][Branch2][Branch1][C][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][S][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][P]
|
CHEMBL10613
|
[C][C][C@@][Branch1][C][O][C][=Branch1][C][=O][O][C][C][=C][Ring1][Branch2][C][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][=C][C][=C][Branch1][Ring2][C][C][N][C][Branch1][C][O][=C][C][=C][Ring1][#Branch2][N][=C][Ring1][=C][Ring2][Ring1][Ring1]
|
CHEMBL10614
|
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][N][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][Ring1][#Branch2][=C][Ring1][#C][O][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL10615
|
[C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][O][C][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][Ring2][Ring1][C][=O]
|
CHEMBL10616
|
[O][=C][O][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][O][Ring2][Ring1][=Branch2]
|
CHEMBL3310093
|
[C][C@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=N][C][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][=C][N][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Ring2][Ring1][=Branch2][=O]
|
CHEMBL10635
|
[C][O][C][=C][C][=C][Branch2][Ring2][S][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][S][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][P]
|
CHEMBL10636
|
[C][O][C][=C][C][=C][Branch2][Ring2][N][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][S][C][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][#C]
|
CHEMBL10637
|
[C][=C][C][Branch2][Ring1][Ring1][C][N][C][C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][C][Ring1][O][=C][C][=C][Ring2][Ring1][C][C][N][C][C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][C][Ring1][O]
|
CHEMBL10638
|
[C][C][O][C][=Branch1][C][=O][C][=N][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][C][C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=C][N][Ring2][Ring1][Ring2][C]
|
CHEMBL10735
|
[C][C][=C][C][Branch1][C][C][=C][Branch2][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][S][C][C][=C][C][=C][Branch2][Ring2][Ring1][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring2][Ring2][=Branch2]
|
CHEMBL10736
|
[Cl][C][C][N][C][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S]
|
CHEMBL10737
|
[C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Branch1][C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][C@H1][Branch2][Ring1][N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C@][C][C][C][Branch1][=Branch1][C][C][Ring1][=Branch1][=O][C][Ring1][Branch2][Branch1][C][C][C][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][S]
|
CHEMBL10817
|
[C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL10818
|
[C][O][C][=Branch1][C][=O][C][C][C][=C][C][N][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C]
|
CHEMBL10819
|
[C][O][C][=C][C][=C][Branch2][Ring2][#C][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][=C][Ring2][Ring1][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][S]
|
CHEMBL10756
|
[C][C][=C][C][=C][C][N][=C][Branch1][#Branch1][N][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][Ring1][#C][=Ring1][O]
|
CHEMBL10757
|
[C][O][C][=C][C][=C][N][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][I][O][C][=Branch1][C][=O][C][Ring1][#C][=C][Ring2][Ring1][Ring1]
|
CHEMBL10758
|
[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][N][Ring1][=Branch1][C][C][C][N][C][Ring1][#Branch1]
|
CHEMBL10759
|
[C][C][N][Branch1][Ring1][C][C][C][C][N][Branch2][Ring1][#C][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][S][C][=Branch1][C][=O][C][N][C][Branch1][=C][S][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][C][=C][Ring1][P][C]
|
CHEMBL10760
|
[O][=C][Branch1][C][O][C][Branch1][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL10761
|
[C][O][C][C][#C][C][C][Branch2][Ring2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring1][S][C][=Branch1][C][=O][O]
|
CHEMBL10844
|
[C][C][O][C][C][O][C][C][N][Branch2][Ring2][C][C][C][C][C][C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F]
|
CHEMBL10691
|
[O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL1163333
|
[C][O][C][=C][C][=C][Branch2][Ring1][P][/C][=N][/C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][#Branch2]
|
CHEMBL10692
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][=Branch1][C][C][C][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][C][Ring2][Ring1][Branch1]
|
CHEMBL10693
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][Branch1][Branch1][C][C][C][N][=C][Ring1][N]
|
CHEMBL1163334
|
[N][=C][Branch1][C][N][N][C][C][C][C@H1][Branch2][#Branch2][#Branch2][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][N][=O]
|
CHEMBL1163342
|
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Branch1][Ring2][/C][=N][/N][C][=Branch1][C][=O][C][C][C@@H1][Branch1][C][C][C@H1][C][C][C@H1][C@H1][C@H1][Branch1][N][C][C@H1][Branch1][C][O][C@@][Ring1][#Branch1][Ring1][#Branch2][C][C@@][Branch1][C][C][C][C][C@@H1][Branch1][C][O][C][C@H1][Ring1][Branch2][C][C@H1][Ring1][P][O][=C][Ring2][Ring2][#Branch1]
|
CHEMBL10709
|
[C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][Branch2][C][=C][C][=C][Branch2][Ring1][N][C][C@H1][Branch2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][N]
|
CHEMBL10710
|
[N][C][C][C][N][C][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S]
|
CHEMBL10711
|
[O][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL10712
|
[O][=C][Branch2][Ring1][#Branch2][O][C][N][C][=Branch1][C][=O][C][C][Ring1][Branch1][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL10820
|
[C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C@H1][Branch1][=N][N][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][=Branch2]
|
CHEMBL10821
|
[O][=C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][N][Ring1][O][O][C][C][C][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=N]
|
CHEMBL10901
|
[C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=C][Ring1][P][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=C]
|
CHEMBL10838
|
[C][C][=C][C][=C][Branch1][C][C][N][Ring1][=Branch1][N][C][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][O][C][C][O][N][=N][Ring1][=N]
|
CHEMBL10839
|
[C][C][=C][C][Branch1][C][C][=C][Branch2][Ring2][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][N][C][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][Branch1][#Branch1][N][C][=Branch1][C][=N][N][=C][Ring1][#Branch2][C][=C][Ring1][S][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring2][Ring1][P]
|
CHEMBL10840
|
[C][C][=C][C][N][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C]
|
CHEMBL10841
|
[C][C][=Branch1][C][=O][O][C][C][C][C][=C][C][N][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C]
|
CHEMBL10843
|
[C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][S][C][C][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][N]
|
CHEMBL10778
|
[C][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][C][Ring1][=C][=O]
|
CHEMBL10779
|
[C][=C][C][Branch2][Ring2][C][C][N][C][C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][=N][C][C][Ring2][Ring1][Ring2][=C][C][=C][Ring2][Ring1][O][C][N][C][C][N][C][C][Ring1][=Branch1]
|
CHEMBL10780
|
[N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL10781
|
[C][O][C][=C][C][=C][Branch2][Branch1][#Branch2][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][Ring2][=C][Ring1][Branch2][O][C][O][Ring1][=Branch1][=C][Ring2][Ring1][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][Ring2][Ring2][Branch1]
|
CHEMBL10782
|
[O][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][O][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL10801
|
[C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][/C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch1][\C][=Branch1][C][=O][O-1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][=N].[C][N+1][Branch1][C][C][Branch1][C][C][C][C][O]
|
CHEMBL10802
|
[C][C][N][Branch1][Ring1][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1][O][C]
|
CHEMBL10803
|
[C][C][=C][C][Branch1][C][C][=C][Branch2][Branch1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][#Branch2][C][C][=C][C][=C][Branch2][Ring1][=N][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][C][S][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][P][C][=C][Ring2][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring2][Ring2][Branch2]
|
CHEMBL10804
|
[N][C][=N][C][Branch1][C][N][=C][N][=C][Branch2][Ring2][Ring1][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][C][C][=N][C][Ring2][Ring1][#Branch2][=N][Ring2][Ring1][#C]
|
CHEMBL10902
|
[C][S][C][C][C@H1][Branch2][Ring2][#C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][O][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][O-1].[Li+1]
|
CHEMBL10903
|
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=Branch1][S][=C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch1]
|
CHEMBL10904
|
[O][=C][Branch1][C][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][Ring1][=N]
|
CHEMBL10657
|
[C][C][C@@H1][C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][N][N][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][C][=Ring2][Ring1][Branch1][N][C][Ring2][Ring1][=Branch2][=O]
|
CHEMBL11010
|
[O][=C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch2][Ring1][S][C][C][C][=N][C][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][C][Ring2][Ring1][=Branch2]
|
CHEMBL11101
|
[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][S][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][N][C][C][C][C][C][=C][C][=C][Branch1][C][N][N][=C][Ring1][#Branch1][=C][Ring2][Ring1][=C]
|
CHEMBL11104
|
[C][C][C][N][C][=Branch1][C][=O][C][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][NH1][C][=Ring1][N][N][Branch1][Ring2][C][C][C][C][Ring2][Ring1][Ring2][=O]
|
CHEMBL11105
|
[C][O][C][=C][C][Branch1][#C][C][C][Branch1][C][C][N][C][C][C][N][Branch1][C][C][C][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][C][I]
|
CHEMBL10859
|
[O][C][C][N][Branch1][Ring2][C][C][O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL10860
|
[C][O][C][=C][C][=C][Branch2][Ring2][=C][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][S][C][C][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][P]
|
CHEMBL10861
|
[N][C][=Branch1][C][=O][C][N][C][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S]
|
CHEMBL10862
|
[C][O][C][=C][C][=C][Branch2][Branch1][#Branch1][C][=Branch1][C][=O][/C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][C][=C][Branch1][=Branch1][\C][=Branch1][C][=O][O-1][C][=C][C][Branch1][Ring1][O][C][=C][C][=Branch1][Ring2][=C][Ring1][Branch2][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring2][Branch1].[Na+1]
|
CHEMBL10863
|
[C][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][C][C@H1][Branch1][Branch1][C][C][Ring1][=C][N][Ring1][#Branch1]
|
CHEMBL10879
|
[C][O][C][=C][C][=C][Branch2][Ring1][S][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][O][C][=N][C][Branch1][C][C][=C][NH1][Ring1][=Branch1][C][=C][Ring1][N][Br][C][=C][Ring2][Ring1][O][O][C]
|
CHEMBL10880
|
[O][=C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][N][Ring1][O][O][C][C][C][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][=N]
|
CHEMBL10881
|
[O][=C][Branch1][C][O][C][Branch1][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring1][#C]
|
CHEMBL10658
|
[O][=C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][N][Ring1][O][O][C][C][C][N][C][C][N][Branch2][Ring1][Ring2][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][C][Ring1][P]
|
CHEMBL10659
|
[C][C][N][Branch1][Ring1][C][C][C][C][N][Branch2][Ring1][#C][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][S][C][=Branch1][C][=O][C][N][C][=C][Branch1][=Branch2][C][C][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][=C][Ring1][=N][S][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL10661
|
[C][O][C][=C][C][=C][Branch2][Branch1][C][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][S][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][P]
|
CHEMBL10664
|
[O][=C][Branch2][Ring1][P][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][N][Branch1][=Branch2][C][=N][S][N][=C][Ring1][Branch1][Cl][C][C][Ring1][N][C][=C][C][=C][C][=N][Ring1][=Branch1]
|
CHEMBL10739
|
[C][C][Branch2][Ring1][C][/C][=C][/C][Branch1][C][O][=C][\C][=Branch1][C][=O][C][N][C][Ring1][=Branch1][=O][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL10924
|
[C][O][C][=C][C][=C][Branch2][Ring2][#C][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][S][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][S]
|
CHEMBL10925
|
[O][=C][Branch1][C][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][=C]
|
CHEMBL10926
|
[C][O][C][=C][C][=C][Branch2][Ring2][=C][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][Ring2][Ring1][#C]
|
CHEMBL10927
|
[C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][C]
|
CHEMBL10928
|
[C][C][C][C][C][C@H1][Branch1][C][O][/C][=C][/C@][Branch1][C][F][C@@H1][Branch1][C][O][C][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][C][/C][=C][\C][C][C][C][=Branch1][C][=O][O][C]
|
CHEMBL10617
|
[C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C@@][Branch1][=N][O][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][Branch1][C][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][Branch1][C][C][C@@][Ring1][N][Branch1][C][Cl][C][Branch1][C][Cl][C][C][Ring2][Ring1][C][Ring2][Ring1][=C][C]
|
CHEMBL10618
|
[C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][#C][C][N][C][C][C][C][C][Ring1][=Branch1][C][O]
|
CHEMBL10619
|
[C][C][N][Branch1][Ring1][C][C][C][C][N][Branch2][Ring1][#C][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][S][C][=Branch1][C][=O][C][N][C][=C][Branch1][Ring2][C][C][N][C][=Branch1][C][=O][N][=C][Ring1][#Branch2][S][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL1163328
|
[C][C][C][C@H1][Branch2][Branch2][#Branch2][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][N][=O]
|
CHEMBL10620
|
[C][O][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][Ring1][N][C][C][N][C][C][C][C][Ring1][Branch1]
|
CHEMBL10621
|
[C][C][Branch1][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL10639
|
[O][=C][Branch1][C][O][C][C][/C][=C][\C][C@H1][C@H1][Branch2][Ring1][Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][Ring1][P][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][O][Ring1][P]
|
CHEMBL4559967
|
[C][N][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][N][C][C][O][Ring1][=Branch1]
|
CHEMBL1163330
|
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Ring2][Ring1][Ring1][=C][Ring1][#C][Ring1][O]
|
CHEMBL10640
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][=Branch2][C][C][C][O][N][C][=Branch1][C][=O][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][Ring1][O][O][C][C][Ring2][Ring1][=Branch1]
|
CHEMBL10641
|
[C][C][C][#C][C][C@H1][Branch1][C][C][C@H1][Branch1][C][O][C][#C][C@@H1][C][C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][Branch1][Branch1][C][O][Ring1][P][C@H1][Ring2][Ring1][Ring1][C][/C][=C][/C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL10740
|
[C][C][C][C][C][C][Branch1][C][O][/C][=C][/C][C][C][C][C][=C][Branch1][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C][Ring1][#C]
|
CHEMBL10741
|
[C][C][C@@][Branch1][C][O][C][=Branch1][C][=O][O][C][C][=C][Ring1][Branch2][C][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][=C][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][N][=C][Ring1][O][Ring1][S]
|
CHEMBL10742
|
[O][=C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch2][Ring1][Branch2][C][/C][=N][/O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1]
|
CHEMBL494
|
[C][C][#C][C][C][Branch1][C][C][C@H1][Branch1][C][O][/C][=C][/C@@H1][C@H1][C][/C][=Branch1][#Branch2][=C][/C][C][C][C][=Branch1][C][=O][O][C][C@H1][Ring1][N][C][C@H1][Ring1][#C][O]
|
CHEMBL11007
|
[C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][=C][C][=C][C][=C][Branch2][Ring2][C][C][C@H1][Branch2][Ring1][Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][=C]
|
CHEMBL1163355
|
[C][O][C][=C][C][=C][Branch2][Branch1][=Branch1][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring2][Branch1][C][S][C][C][=Branch1][P][=N][O][C][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring1][#C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][=C][C][=C][Ring2][Ring2][Branch1][C][S][C][C][=Branch1][P][=N][O][C][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring1][#C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL11009
|
[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][=N][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][N][C][C][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=N]
|
CHEMBL10695
|
[C][O][C@H1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][Ring1][C][F][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][S][Ring1][=N]
|
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