chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
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CHEMBL15974
|
[C][N][C][C][S][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][S]
|
CHEMBL15975
|
[O][=C][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][O][C][Ring1][Branch1][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL15976
|
[N][C][=Branch1][C][=O][C][=Branch1][C][=O][O]
|
CHEMBL15977
|
[C][C@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][N][C][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][O][C][=Branch1][C][=O][O]
|
CHEMBL15979
|
[C][C][C][C][C][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Ring1]
|
CHEMBL15980
|
[C][C][C][C][C][C][Ring1][=Branch1]
|
CHEMBL15981
|
[C][O][C][C][=C][C][=C][NH1][N][=C][Ring1][Branch1][C][=Ring1][=Branch2]
|
CHEMBL15904
|
[C][N][C][Branch1][#Branch1][N][C][=Branch1][C][=N][N][=N][C][=Branch1][C][=O][/C][Ring1][#Branch2][=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]
|
CHEMBL15906
|
[C][N][C][C][S][C][Branch1][C][N][=C][C][=Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][P]
|
CHEMBL15993
|
[C][C][N][C][C][C][C][N][Branch2][Ring1][=C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][=N][C][C][C][Ring2][Ring1][=Branch1]
|
CHEMBL15994
|
[N][C][C][C][C@H1][Branch1][C][N][C][C][=Branch1][C][=O][N][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][=N][N][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][C][N][C][N][C][=Branch1][C][=O][C@H1][Branch1][N][C][C][C][N][=C][Branch1][C][N][N][Ring1][#Branch1][N][C][=Branch1][C][=O][/C][=Branch2][Ring1][#Branch2][=C][/N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][N][C][Ring2][Branch1][=Branch1][=O]
|
CHEMBL15995
|
[C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
|
CHEMBL15996
|
[C][C][C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring2][Ring2]
|
CHEMBL15929
|
[C][C][N][Branch1][=C][C][/C][=C][/C][#C][C][Branch1][C][C][Branch1][C][C][C][C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][O][C][Si][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=C][Ring2][Ring1][Ring1]
|
CHEMBL15930
|
[O][=C][Branch1][Ring1][C][S][C][Branch1][N][C][C][C][C][=C][C][=C][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][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL16020
|
[C][N][C][C][S][C][Branch1][C][Br][=C][C][=Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][P]
|
CHEMBL569
|
[C][C][N][Branch1][Ring1][C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]
|
CHEMBL16021
|
[C][N][Branch1][C][C][C][C][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring2][Ring1][C]
|
CHEMBL15659
|
[C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][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][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C]
|
CHEMBL15403
|
[C][C][C][O][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=N][C][=C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][C][Branch1][C][O][=N][Ring1][N]
|
CHEMBL15404
|
[C][C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][N][N][C][C][N][C][Branch1][C][C][C][Ring1][#Branch1][C][Branch1][C][Cl][=C][Ring1][#C][Ring2][Ring1][#Branch1]
|
CHEMBL15405
|
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][S][C][Branch1][=Branch2][S][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][C][C][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=N][Ring1][O][=C][Ring2][Ring1][Ring1]
|
CHEMBL3310653
|
[C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][Branch1][C][C][=N][C][Ring1][#Branch1][=C][Ring2][Ring1][C][O]
|
CHEMBL15684
|
[C][=C][Branch2][Ring1][#C][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][Branch1][C][C][C][N][C][=C][N][=C][Ring1][Branch1]
|
CHEMBL15685
|
[C][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][N][Branch1][C][C][C][C][S][C][Branch1][C][Br][=C][C][=Ring1][=Branch1][Ring1][O][C][=C][Ring1][P]
|
CHEMBL15687
|
[C][C@][C][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][O][=C][C][C@@][Branch1][C][C][C][Ring1][#Branch1][C][C][C@][Ring1][=Branch1][Branch1][C][O][C][=Branch1][C][=O][C][N][C][C][N][C][C][Ring1][=Branch1]
|
CHEMBL15688
|
[C][C][Branch1][C][C][O][C][=C][Branch2][Ring1][#Branch2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1][C][C][Ring2][Ring1][#Branch1][I]
|
CHEMBL3310672
|
[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1]
|
CHEMBL15997
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][O][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][O][N][Ring1][S][=C][Ring2][Ring1][=Branch1]
|
CHEMBL15998
|
[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][N][C][C][C][C][C][C][C][C][C][C][C][C][N]
|
CHEMBL15708
|
[C][C][Branch1][C][C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][=Branch2]
|
CHEMBL15709
|
[C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL3310359
|
[O][=C][Branch1][C][O][/C][Branch1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][=N][\N][C][=N][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][S][Ring1][#C]
|
CHEMBL16022
|
[C][C][O][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][S][Ring1][O]
|
CHEMBL16023
|
[C][C][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][P]
|
CHEMBL16024
|
[C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S]
|
CHEMBL15733
|
[C][C][/N][=C][Branch1][Ring2][\N][C][#N][N][C][C][S][C][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=O]
|
CHEMBL15736
|
[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][Branch1][C][C][N][C][Ring1][#Branch1][Branch1][C][C][C]
|
CHEMBL4543523
|
[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=N][C][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][O][Ring1][#Branch1][=C][Ring2][Ring1][C]
|
CHEMBL15407
|
[O][C][=N][C][=C][C][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][=C][O][Ring1][P]
|
CHEMBL15410
|
[C][C][Branch1][C][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][Ring1][=Branch2][=O]
|
CHEMBL565
|
[C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL15487
|
[C][C][C][N][C][C][Ring1][=Branch1]
|
CHEMBL15778
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][O][C][=C][C][Branch1][C][O][=C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][=C][C][Ring1][O][=N][Ring1][S][=C][Ring2][Ring1][=Branch1]
|
CHEMBL15779
|
[C][C][C][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][O][=N][N][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=Ring2][Ring1][Ring1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
CHEMBL15780
|
[C][C][O][C][=Branch1][C][=O][N][C][C][O][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N]
|
CHEMBL15781
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][C][/C][=C][\O][C][Branch1][#Branch1][N][=C][Branch1][C][N][N][=N][C][Ring1][=Branch2][=O][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][Branch1][O]
|
CHEMBL15783
|
[C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=Branch1][C][=O][C][C][Ring1][=C][=O]
|
CHEMBL15710
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=N][O][C][C][N][Branch1][C][C][C][C][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL15711
|
[C][O][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][C][=C][Ring2][Ring1][C]
|
CHEMBL15712
|
[C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][O]
|
CHEMBL15804
|
[C][N][C][C][S][C][=C][C][=Ring1][Branch1][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][Ring1][P]
|
CHEMBL15805
|
[C][C][Branch1][C][C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][Branch2]
|
CHEMBL3310360
|
[O][=C][Branch1][C][O][/C][Branch1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][=N][/N][C][=N][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][S][Ring1][#C]
|
CHEMBL15737
|
[C][C][Branch1][C][C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][N][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][#Branch1]
|
CHEMBL15738
|
[C][C][O][C][=C][Branch1][#C][N][C][C][C][Branch1][C][C][Branch1][Ring1][C][N][C][Ring1][Branch2][C][Branch1][C][F][=C][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][#Branch2][=Ring1][=N]
|
CHEMBL15739
|
[C][O][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2]
|
CHEMBL15828
|
[C][C@@H1][Branch2][Ring2][#Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@][O][C@][Ring1][Ring1][C][C][C][C@@H1][Ring1][#Branch1][C][#C][/C][=C][\C][#C][C@H1][Ring2][Ring1][Branch1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL15491
|
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][S][C][Branch1][=Branch2][S][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][S][C][C][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=N][Ring1][O][=C][Ring2][Ring1][Ring1]
|
CHEMBL15575
|
[C][=C][Branch2][Ring1][=N][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][C][Branch1][C][O][C][N][C][C][Branch1][C][C][C][N][C][=C][N][=C][Ring1][Branch1]
|
CHEMBL15576
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][C][C@@H1][Branch1][C][O][C][=C][C][Ring1][#Branch2][Ring1][#Branch1][C][C][N][Branch1][C][C][C][Ring1][S]
|
CHEMBL15577
|
[C][N][Branch1][C][C][C][C][C][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Branch1][=N][C][C][C][N][C][C][C][N][Branch1][C][C][C][C][=C][C][=C][Ring1][S][C][Ring2][Ring1][Ring2][Branch1][C][C][C]
|
CHEMBL3310654
|
[C][C][=C][C][=C][C][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][=C][C][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][=C][Branch1][C][O][C][Ring2][Ring1][Branch1][=N][Ring2][Ring1][=Branch2]
|
CHEMBL4543575
|
[C][N][Branch1][C][C][C][=C][C][Branch1][S][C][N][C][=N][C][=N][C][NH1][N][=C][C][Ring1][=Branch2][=Ring1][Branch1][=C][C][=N][Ring1][P]
|
CHEMBL4543576
|
[C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][O][Ring1][O][C][C][Ring1][P][C][=N][N][Ring2][Ring1][Branch2][C][=N][C][=C][Branch1][Branch2][C][=Branch1][C][=O][NH1][Ring1][#Branch1][C][C][C][Ring1][Branch2]
|
CHEMBL4543577
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N][=C][Ring1][=N][N][C][C][C][N][Branch1][C][C][C]
|
CHEMBL4543578
|
[C][C][C][C][C][C][C][C][N][C][C][N][Branch2][Ring1][Branch2][C][N][N][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][Ring1][=N][=S][C][C][Ring2][Ring1][Branch1]
|
CHEMBL4543579
|
[C][O][C][=C][C][Branch2][Ring2][=Branch2][/C][=C][/C][=Branch1][C][=O][O][C][C@H1][O][C@@H1][Branch1][#C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring1][C][O][=C][C][=C][Ring2][Ring1][#C][O]
|
CHEMBL4543580
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][P][C][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Cl][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL4543581
|
[C][C][C][C][C][C@H1][Branch1][Branch2][C][N][Branch1][C][O][C][=O][C][=Branch1][C][=O][N][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][O][Ring1][=N]
|
CHEMBL4543582
|
[N][C][C][=C][C][=C][Branch2][Ring1][S][C][N][C][C][C][C][C][C][C][Ring1][Branch1][C][Ring1][Branch2][C][Ring1][Ring2][C][Branch1][#Branch1][O][C][C][O][Ring1][Branch1][C][Ring1][O][Ring1][=C][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL15879
|
[C][S][C@@H1][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][N][Branch2][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C@@H1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring2][Ring1][=Branch2]
|
CHEMBL15881
|
[C][N][C][C][S][C][Branch1][C][Cl][=C][C][=Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][P]
|
CHEMBL15882
|
[C][C][C][=N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][N][Ring1][O][C][C][=C][C][=C][Branch2][Ring1][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL15883
|
[O][=C][Branch1][P][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][O][C][C][C][C][=C][NH1][C][=N][Ring1][Branch1]
|
CHEMBL15884
|
[C][O][C][=C][C][=C][Branch2][Ring2][N][C][Branch1][#Branch1][C][N][Branch1][C][C][C][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][S]
|
CHEMBL15806
|
[C][C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][C][Branch1][C][F][=C][Branch1][#C][N][C][C][Branch1][C][C][N][C][Branch1][C][C][C][Ring1][Branch2][C][Branch1][C][Cl][=C][Ring1][P][Ring2][Ring1][=Branch2]
|
CHEMBL15807
|
[C][O][C][=C][C][=C][C][=C][Branch1][C][I][NH1][N][=C][Ring1][#Branch2][Ring1][=Branch1]
|
CHEMBL15808
|
[C][O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][C][C][C][NH1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1]
|
CHEMBL15809
|
[C][N][C][=Branch1][C][=O][S][C][=C][C][Branch2][Ring1][=Branch1][C][C][N][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=C][C][=C][Ring2][Ring1][Branch1][Ring2][Ring1][=Branch2]
|
CHEMBL3310361
|
[N-1][=N+1][=N][C][=C][C][=C][Branch2][Ring2][Ring2][C][=C][S][C][Branch2][Ring1][=Branch2][N][/N][=C][Branch1][#C][/C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O][=N][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O]
|
CHEMBL4543368
|
[C][C][C][=N][C][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][C@H1][Ring1][=Branch1][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Ring1][N]
|
CHEMBL4543369
|
[C][C][O][C][=C][C][=C][Branch2][Ring2][Branch2][N][C][=Branch1][C][=O][C@H1][Branch1][=C][O][C][=C][C][=C][Branch1][Ring1][C][=O][C][=C][Ring1][Branch2][C@@H1][Ring1][=C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][=N]
|
CHEMBL4543370
|
[C][O][C][=C][C][Branch2][=Branch1][O][/C][=C][Branch1][Ring1][\C][#N][C][=Branch1][C][=O][N][C][C][O][C][C][O][C][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][C][S][C][=N][C][=Ring1][Branch1][C][C][=C][Ring1][N][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring2][Branch1][Branch1][O][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL4543371
|
[O][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=N][C][Branch2][Ring1][=Branch1][N][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][=N][C][=C][Ring2][Ring1][Branch1][C][Ring2][Ring1][=Branch2]
|
CHEMBL4543372
|
[C][O][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][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C]
|
CHEMBL4543373
|
[O][=C][Branch1][C][O][C@@H1][C][C][C][N][Branch2][Ring2][=C][C][=Branch1][C][=O][N][C][=N][C][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring1][N][C][=C][Ring2][Ring1][C][=N][Ring2][Ring1][#Branch1][C@H1][Ring2][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL4543374
|
[C][C][=N][N][=C][C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][#Branch2][Ring2][Ring1][#Branch1]
|
CHEMBL4543375
|
[N][=C][Branch1][C][N][N][C][C][C][C@@H1][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][Ring1][#C][=O]
|
CHEMBL4543376
|
[Cl][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][=C][N][=C][S][C][Branch1][N][N][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][N][Ring1][P][Ring1][=C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL3310362
|
[N-1][=N+1][=N][C][=C][C][=C][Branch2][Ring2][Ring2][C][=C][S][C][Branch2][Ring1][=Branch2][N][/N][=C][Branch1][#C][\C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O][=N][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O]
|
CHEMBL15829
|
[C][C][=C][Branch1][C][F][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=C][C][=C][Ring1][=N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring1][#Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F]
|
CHEMBL15830
|
[S][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][C][=C][NH1][C][=N][Ring1][Branch1]
|
CHEMBL15831
|
[C][O][C][=C][C][=C][C][Branch1][C][O][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring1][=N][=C][Ring1][P]
|
CHEMBL15932
|
[C][O][C][=C][C][=C][C][NH1][N][=C][C][Ring1][=Branch2][=Ring1][Branch1]
|
CHEMBL15933
|
[C][C][=N][C][Branch2][Branch1][N][C][=C][C][=C][Branch2][Ring2][=N][C][=C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][O][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][O][Ring1][N][C][=C][Ring2][Ring1][Branch2][C][Branch1][C][C][=C][Ring2][Ring1][#C][=N][O][Ring2][Ring2][Ring2]
|
CHEMBL4543403
|
[C][C][=C][C][=C][NH1][C][=Branch1][C][=S][N][Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][C][Ring1][S][=C][Ring2][Ring1][Ring2]
|
CHEMBL15578
|
[C][=C][Branch2][Ring1][N][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][N][C][=C][N][=C][Ring1][Branch1]
|
CHEMBL15579
|
[N][C][C][C][N][Branch2][Ring2][Branch2][C][=C][Branch1][C][F][C][Branch1][C][O][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][=N][=C][Ring2][Ring1][Ring1][F][C][Ring2][Ring1][=Branch2]
|
CHEMBL15580
|
[C][S][C]
|
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