chembl_id
stringlengths 7
13
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stringlengths 3
6.7k
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CHEMBL7283
|
[C][C][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][Branch1][#C][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring1][S]
|
CHEMBL7285
|
[C][/C][=Branch1][=C][=C][\C][N][O][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=O][C][=C][C][=C][O][C][Branch2][Ring1][#C][C][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][O][C][=Ring1][#C][C][=C][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2]
|
CHEMBL7017
|
[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][Ring1][P]
|
CHEMBL7018
|
[C][C][#C][C][O][C][=N][O][C][=C][Ring1][Branch1][C][N][C][C][Ring1][=Branch1].[Cl]
|
CHEMBL7019
|
[C][N][Branch1][C][C][C][=C][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][N][=C][Branch1][C][Br][N][=C][Ring1][#Branch1][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][P]
|
CHEMBL3310371
|
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][NH1][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL6947
|
[C][/C][Branch1][=N][C][N][O][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=O][=C][Branch1][C][/C][C][=C][C][=C][C][Branch2][Ring1][S][O][C][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][O][C][=Ring1][#C][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL1163143
|
[C][=C][Branch1][Ring2][C][O][C][C@@H1][C][C][C@][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring2][#C][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][=C][O][C][=Branch1][C][=O][N][C][=N][C][=C][Ring1][Branch1][C][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Ring1][C][C][C][C@][Ring2][Ring1][=Branch1][Ring2][Ring1][O][C][C@@H1][Ring2][Ring2][#Branch1][Ring2][Ring2][Ring2]
|
CHEMBL6948
|
[C][C][Branch1][C][C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][N][Ring1][=Branch2][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2]
|
CHEMBL1163155
|
[O][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][#C]
|
CHEMBL3310510
|
[C][C][Branch1][C][C][C@@H1][N][C][=Branch1][C][=O][C@@H1][C][C][C][C][C][S][S][C][C][C][C][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][Ring2][Ring1][O][=O][C][=Branch1][C][=O][N][Ring2][Ring1][O]
|
CHEMBL7570
|
[C][C][C][Branch1][C][O][C][=C][C][Branch1][P][O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][=C][C][=C][Ring1][S][O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O]
|
CHEMBL7571
|
[C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][=N][C][Branch1][C][N][=N][C][Branch1][C][N][=C][Ring1][Branch2][C][Ring1][N]
|
CHEMBL7572
|
[C][C][=Branch1][C][=O][O][C][=C][C][=C][NH1][C][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2]
|
CHEMBL7308
|
[O][=C][Branch2][Ring1][Branch2][N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br]
|
CHEMBL7309
|
[C][C][C][C][C][C][C][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][O][Ring1][Branch2]
|
CHEMBL7310
|
[C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]
|
CHEMBL7864
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][#C][C][#C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][O]
|
CHEMBL7865
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Ring1][C][N][C][=C][Ring1][Branch2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL7953
|
[O][C][=C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][N][=N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C][Ring1][=Branch2]
|
CHEMBL7957
|
[C][S][C][C][C@H1][Branch2][=Branch1][S][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch2][Branch1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][#Branch2][C][C][=C][C][=C][Branch1][#C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=C][Ring1][=C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][Branch1][C][C][=O][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Branch1][C][N][=O]
|
CHEMBL7611
|
[C][C][=Branch1][C][=O][C@H1][O][C@@H1][Branch2][Ring2][=N][O][C][=C][C][=C][Branch2][Ring1][#C][/C][=C][Branch1][C][/C][C][=Branch1][C][=O][N][C@H1][C@@H1][Branch1][C][O][C@@H1][O][C][O][C@@H1][Ring1][Branch1][C@H1][Branch1][C][O][C@@H1][Ring1][O][O][C][=C][Ring2][Ring1][Branch2][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring1][S][O]
|
CHEMBL7612
|
[C][C][Branch1][C][C][C][C][C@][Branch1][N][C][=Branch1][C][=O][O][C][C][C][C][Ring1][Ring1][C][C][C@][Branch1][C][C][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][C][=C][C@@][Ring1][Branch2][Branch1][C][C][C][C][C@H1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][=C][C@][Ring1][S][Ring1][O][C][C][Ring2][Ring2][C][C][Ring2][Ring2][#Branch1]
|
CHEMBL7614
|
[C][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][=N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=Ring1][=N][O][S][Ring2][Ring1][Ring1]
|
CHEMBL450
|
[C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][O][=O]
|
CHEMBL7615
|
[C][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Branch1][C][=N][C][C][Branch1][N][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][O][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Branch1][C]
|
CHEMBL3310984
|
[C][C][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]
|
CHEMBL3310988
|
[Br].[C][C][C][=C][C][=Branch1][C][=N][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Ring1][#C]
|
CHEMBL3311001
|
[O][=C][C][C][C][C][N][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring1][=N][Ring1][P]
|
CHEMBL3311004
|
[O][C][C][N][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][#C]
|
CHEMBL7635
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][C][=N][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][=C][N][=C][Ring1][=Branch2][Ring1][N][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL7636
|
[O][=C][Branch2][Ring1][=Branch2][O][C][C@H1][C][C@@H1][O][C@H1][Ring1][Branch1][C@H1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C@@H1][Ring1][#Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N]
|
CHEMBL7637
|
[C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][Ring1][P]
|
CHEMBL7311
|
[O][=C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][O][C][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][C][O][Ring1][Branch2][=C][Ring2][Ring1][Branch1]
|
CHEMBL7312
|
[C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1]
|
CHEMBL7313
|
[C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL427
|
[C][N][Branch1][Ring2][C][C][Cl][C][C][Cl]
|
CHEMBL7395
|
[C][C][=C][Branch2][Ring1][=Branch1][/C][=C][/C][Branch1][C][C][=C][/C][=C][/C][Branch1][C][C][=C][/C][N][=N][NH1][N][=Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring1][#Branch1]
|
CHEMBL7396
|
[C][C][C][C][C][=N][C][=C][N][=N][C][Branch1][C][O][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#C]
|
CHEMBL7958
|
[C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][#Branch2][C][C][C][C][C][C][C][C][C][O][C][Ring1][S][=O]
|
CHEMBL7959
|
[C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][Ring1][#C]
|
CHEMBL7960
|
[C][C][=C][C][Branch2][Ring2][=N][C][=C][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][C][=C][Ring2][Ring1][#Branch1][F][=C][C][Branch1][C][C][=N][Ring2][Ring1][#C]
|
CHEMBL7687
|
[O][=C][Branch1][C][O][C][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][C][O][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL7688
|
[C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C]
|
CHEMBL3310851
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL7349
|
[C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][O][C][=C][C][=C][C][Branch2][Ring1][C][C][#C][C][Branch1][C][C][N][O][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=O][=C][Ring1][P]
|
CHEMBL7350
|
[C][C][C][=N][C][Branch1][C][O][=C][C][=Branch1][Ring2][=N][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O]
|
CHEMBL7351
|
[O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][Ring1][=Branch1][C][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][C][Ring2][Ring1][C]
|
CHEMBL7352
|
[C][O][C][=C][C][=C][Branch2][Ring2][Ring1][N][C][=C][C][=C][Branch2][Ring1][C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][Ring1][P][=O][C][=C][Ring2][Ring1][O]
|
CHEMBL7353
|
[C][C][C][C][C][N][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][N][C][C][C][C][C][C][Ring1][=Branch1]
|
CHEMBL3311009
|
[C][C][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][C][N][Branch1][Ring1][C][C][C][C]
|
CHEMBL7639
|
[C][O][C][=C][C][=C][Branch2][Ring1][N][C][C][N][C][C][Branch1][C][O][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2][O][C]
|
CHEMBL7372
|
[C][O][C][=C][C][=C][C][Branch1][C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][O][C][Ring1][=Branch2][=C][Ring1][=N]
|
CHEMBL7373
|
[C][C][C@@H1][C][C@H1][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Branch1][C][O][N][=C][Ring1][O][C][=C][Ring1][#C][N][Ring2][Ring1][Ring2]
|
CHEMBL7375
|
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][=Branch1][C][C][C][C][C][=N][C][Branch1][C][N][=N][C][Branch1][C][N][=C][Ring1][Branch2][C][Ring1][N][=C][Ring2][Ring1][Branch1]
|
CHEMBL437
|
[N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][#C]
|
CHEMBL7397
|
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring1][P]
|
CHEMBL7398
|
[C][O][C][=C][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][O][C][=C][C][=C][NH1][C][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#C][O][C]
|
CHEMBL7399
|
[C][C][C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][C][O][Ring1][Branch2]
|
CHEMBL7484
|
[C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C]
|
CHEMBL7485
|
[C][C][C][C][=C][C][=Branch1][C][=O][O][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][C][C][C][Branch1][Ring2][O][C][C][=C][C][=Branch1][#Branch1][=C][Ring2][Ring1][C][Ring1][=N][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=Branch2]
|
CHEMBL7486
|
[C][C][=C][C][=C][C][Branch2][#Branch1][=Branch1][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][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][N][C@H1][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][O][=C][Ring2][Branch1][O]
|
CHEMBL7689
|
[C][C][=C][C][Branch2][Ring2][P][C][=C][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][=Branch2][F][=C][C][Branch1][C][C][=N][Ring2][Ring1][P]
|
CHEMBL7690
|
[C][C][=C][C][Branch2][Ring2][=C][C][=C][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][Branch1][=C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][Branch2][F][=C][C][Branch1][C][C][=N][Ring2][Ring1][S]
|
CHEMBL8687
|
[C][C][C][C@H1][C][=Branch1][C][=O][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][Ring2][Branch1][=C][C]
|
CHEMBL7778
|
[O][=C][Branch2][Ring1][=Branch2][N][C@@H1][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br]
|
CHEMBL7779
|
[C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][C][C][C][C][=N][C][Branch1][C][N][=N][C][Branch1][C][N][=C][Ring1][Branch2][C][Ring1][N][=C][Ring2][Ring1][Ring1]
|
CHEMBL3310853
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C]
|
CHEMBL7354
|
[C][O][C][=C][C][=C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Ring1][Branch2][=C][Ring1][N]
|
CHEMBL7437
|
[C][C][Branch1][C][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring1][P]
|
CHEMBL7438
|
[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2]
|
CHEMBL7440
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=N][N][N][S][Ring1][=Branch2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL1163177
|
[C][C][=C][Branch2][Ring1][N][C][C][C@H1][Branch1][C][C][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][O][C@H1][C][C@H1][C@@H1][C][C][=C][C][C@@H1][Branch2][Branch1][O][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch2][Ring1][Ring2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][Ring2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C][=Branch1][C][=O][C][C@][Ring2][Ring2][#Branch1][Branch1][C][C][C@H1][Ring2][Ring2][N][C][C][C@][Ring2][Ring2][S][Branch1][C][C][C@@H1][Ring2][=Branch1][Branch2][Ring2][Branch1][Ring2]
|
CHEMBL7441
|
[O][=C][Branch1][=C][C][C][=N][N][C][=C][C][=C][C][=Ring1][=Branch2][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][=N]
|
CHEMBL3311015
|
[C][=C][C][C][=C][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][C][=C][C][=C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][C][=C][Ring1][O][NH1][Ring1][=C][C][=C][Ring2][Ring1][Ring2][NH1][C][=Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][=N][C][=N][C][C][N][Ring1][Branch1]
|
CHEMBL433
|
[C][C][C][C][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][O-1].[Na+1]
|
CHEMBL434
|
[C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2]
|
CHEMBL4559951
|
[O][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][=C][=O][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
|
CHEMBL4559952
|
[C][O][C][=C][C][=C][Branch2][Ring1][=C][C][C][N][Branch1][P][C][=Branch1][C][=O][O][C][C][C][C][N][Branch1][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2][O][C]
|
CHEMBL4559953
|
[C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C@H1][C@@H1][Branch1][C][O][C][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring1][#C][/C][=N][/N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1]
|
CHEMBL4559954
|
[O][=C][N][C][C][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][Ring2][C][Ring1][N][N][Ring1][=C][O][S][=Branch1][C][=O][=Branch1][C][=O][O-1].[Na+1]
|
CHEMBL7461
|
[C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C]
|
CHEMBL7462
|
[C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
|
CHEMBL7463
|
[C][N][Branch1][C][C][C][C][C][N][C][=C][Branch2][Ring1][O][C][=C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Ring1][#C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch2]
|
CHEMBL7487
|
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][O][C]
|
CHEMBL7488
|
[C][O][C][=C][C][Branch2][Ring1][#Branch1][N][C][C][C][C][C][=N][C][Branch1][C][N][=N][C][Branch1][C][N][=C][Ring1][Branch2][C][Ring1][N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1][O][C]
|
CHEMBL7573
|
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Ring1][N][/C][Branch1][C][S][=N][/C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][O][C][=C][Ring2][Ring1][Branch2]
|
CHEMBL7575
|
[O][=C][Branch1][=N][/C][=C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
|
CHEMBL7780
|
[C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][N][C][C][C][C][C][C][C][C][C][C][C][O][C][Ring2][Ring1][C][=O]
|
CHEMBL7781
|
[C][=C][C][C][O][C][=C][Branch1][C][Br][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][Ring1][P][C][Branch1][C][C][=C][C][Branch1][C][C][Branch1][C][C][N][Ring1][#Branch2]
|
CHEMBL7782
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][O][C][=C][Branch1][C][Cl][C][=C][Branch1][#Branch1][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][Ring1][#Branch2]
|
CHEMBL1163194
|
[C][C][O][C][=Branch1][C][=O][/C][=C][\O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL7866
|
[C][O][C][=Branch1][C][=O][C][N][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2][Ring2][Ring1][Branch1]
|
CHEMBL4553140
|
[O][=S][=Branch1][C][=O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][Branch2][Ring2][Ring2][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=C]
|
CHEMBL4553141
|
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][#Branch2][C][=C][N][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][N][=N][Ring1][#C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL3310859
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][N][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1]
|
CHEMBL3310868
|
[C][=C][C][C][=C][C][Branch1][=N][/C][=C][\S][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][=C][Branch1][Ring1][O][C][C][=C][Ring1][S][O]
|
CHEMBL7532
|
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring1][P]
|
CHEMBL7534
|
[C][C][=C][C][Branch2][Ring2][=N][C][=C][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][C][=C][Ring2][Ring1][#Branch1][F][=C][C][Branch1][C][C][=N][Ring2][Ring1][#C]
|
CHEMBL39
|
[N][C][C][C][=C][NH1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch2][Ring1][#Branch1]
|
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