chembl_id
stringlengths 7
13
| selfies
stringlengths 3
6.7k
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CHEMBL18225
|
[C][O][C][=Branch1][C][=O][C@@H1][C][N][Branch2][Ring1][N][C][C][=C][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][S][C][C@H1][Ring2][Ring1][=Branch1][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=N][N][=C][Ring1][=Branch2].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL18226
|
[C][C][C][C][C][O][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][#Branch2][N][C][Branch1][C][C][C][C][C][N][C][=N][C][=C][C][Branch1][C][C][=C][Ring2][Ring1][Ring2][Ring1][#Branch1]
|
CHEMBL18227
|
[C][C][Branch1][C][C][C][=N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][=C]
|
CHEMBL18228
|
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][C][O][C][=C][C][=C][Branch1][N][O][C][C][C][C][=N][N][=N][NH1][Ring1][Branch1][C][=C][Ring1][#C][N][=C][Ring2][Ring1][#Branch1]
|
CHEMBL3310185
|
[C][C][Branch1][C][C][Branch1][C][C][C][C@@H1][N][C@@H1][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C@H1][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][F][C@][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][O]
|
CHEMBL18247
|
[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][F][C][=C][Ring1][#Branch1][=C][Ring1][=C]
|
CHEMBL18248
|
[C][C][Branch1][C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
|
CHEMBL1163492
|
[C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][N][Branch2][Ring1][=Branch1][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch1]
|
CHEMBL598
|
[N][C][=N][C][Branch1][C][F][=N][C][=C][Ring1][#Branch1][N][=C][N][Ring1][Branch1][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O]
|
CHEMBL18351
|
[C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][C][O][=C][Ring1][=N][C][=Branch1][C][=O][C][=Ring2][Ring1][C][O][C][C][=C][Ring2][Ring1][#Branch2][O]
|
CHEMBL18435
|
[C][C][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][=C][\C][Branch1][Branch1][C][C][C][O][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL18436
|
[C][C][C][C][N][N][=C][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=N][C][C][N][Ring1][Branch1]
|
CHEMBL18437
|
[C][C][=Branch1][C][=O][C][=C][C][Branch1][#Branch1][O][C][C][C][C][#N][=C][C][=C][Ring1][N][O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]
|
CHEMBL18016
|
[C][O][C][=C][C][=N][C][Branch2][Ring1][=Branch2][N][C][C][C][Branch1][#C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=O][C][C][Ring1][S][=N][C][Branch1][C][N][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][O][O][C]
|
CHEMBL18017
|
[O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][N][Branch2][Ring1][#Branch1][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch2]
|
CHEMBL18018
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Ring1][P][S][Branch1][C][N][=Branch1][C][=O][=O].[Na+1]
|
CHEMBL18111
|
[C][C][C][N][C][C][C][N][C][C][C][C][N][C][C][C][N][C][C][C]
|
CHEMBL18311
|
[C][Branch1][O][C][C][C][N][C][C][C][C][Ring1][Branch1][C][C][N][C][C][S][S][C][C][N][C][C][C][C][C][C][N][C][C][C][C][Ring1][Branch1]
|
CHEMBL18312
|
[C][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][Ring1][P][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2]
|
CHEMBL18313
|
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][/N][=N][/C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL18314
|
[N][C][C][=C][N][Branch1][N][C@H1][C][S][C@@H1][Branch1][Ring1][C][O][O][Ring1][#Branch1][C][=Branch1][C][=O][N][=Ring1][=C]
|
CHEMBL18315
|
[C][C][O][C][=C][C][Branch1][Ring2][O][C][C][=C][C][=Branch1][C][=O][C][Branch1][C][O][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][Ring2][O][C][C][C][Branch1][Ring2][O][C][C][=C][Ring1][N][O][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][O]
|
CHEMBL18337
|
[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring2][Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][Branch1][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C][C][C][C][Ring1][N][C][=C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][=C]
|
CHEMBL18338
|
[C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][O]
|
CHEMBL18418
|
[C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@H1][Ring1][P][C][O][Ring2][Ring1][Branch2]
|
CHEMBL18184
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=C][NH1][N][=C][Ring1][Branch1][Ring1][=Branch2]
|
CHEMBL18185
|
[N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Branch1][Ring2][C][=N][O][C][Branch2][Ring2][=Branch2][C][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][O][C][Ring2][Ring1][N][C][=C][Ring2][Ring2][C].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL18186
|
[C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][=C][Branch1][Ring1][C][N][S][C][=Ring1][#Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1]
|
CHEMBL18187
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][NH1][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][=N][Ring1][P]
|
CHEMBL17904
|
[N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][C][C][C][N][C][C][S][S][C][C][N][C][C][C][C][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N]
|
CHEMBL18112
|
[C][C][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][=C][\C][Branch1][Ring2][C][C][O][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL18113
|
[C][C][Branch1][C][C][C][C@H1][Branch2][#Branch1][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL18115
|
[O][C][C][O][C][Branch2][Ring1][=Branch2][N][C][=N][C][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][N][=C][N][=C][Ring1][=N][Ring1][S][C][Branch1][C][O][C][Ring2][Ring1][=Branch1][O]
|
CHEMBL18116
|
[C][C][=C][C][=C][C][Branch1][=N][N][C][C][Branch1][Ring1][C][O][O][C][Ring1][#Branch1][=O][=C][Ring1][=C]
|
CHEMBL18117
|
[C][C][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][=C][\C][Branch1][C][S][C][C][C][C][=Branch1][C][=O][O]
|
CHEMBL18203
|
[C][=C][C][=C][Branch2][Ring1][P][C][O][C][C][C][C][C][C][N][C][C][S][S][C][C][N][C][C][C][C][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring2][Ring2]
|
CHEMBL18396
|
[C][O][C][=C][C][Branch2][Ring1][=C][O][C][C][=C][C][=C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][Ring2][Ring1][#C]
|
CHEMBL18397
|
[C][=C][C][Branch2][Ring1][C][C][N][C][C][C][N][C][C][N][C][C][C][N][C][C][Ring1][=C][=N][C][=C][Ring2][Ring1][Branch1][C][N][C][C][C][N][C][C][N][C][C][C][N][C][C][Ring1][=C]
|
CHEMBL18398
|
[O][=C][Branch1][C][O][C][C][Branch2][Ring1][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL18420
|
[C][=C][C][Branch1][N][O][C][C][C][C][=N][N][=N][NH1][Ring1][Branch1][=C][C][Branch1][P][O][C][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][Ring2][Ring1][O]
|
CHEMBL18421
|
[C][C][Branch1][C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
CHEMBL18422
|
[C][N][C][=N][C][=C][Ring1][Branch1][C@H1][O][C][Branch1][C][C][Branch1][C][C][O][C][C@H1][Ring1][Branch2][C][/C][=C][\C][C][C][=Branch1][C][=O][O]
|
CHEMBL603
|
[C][O][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring2][Ring1][Ring1][C][C][=C][N][Branch1][C][C][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][O][C][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1][Ring1][#C]
|
CHEMBL3310366
|
[C][C][N][C][=Branch1][C][=O][C][=C][C][=Branch1][#C][=C][N][=C][Ring1][=Branch1][N][Branch1][Ring1][C][C][C][Ring1][=N][=O][C][=Branch1][C][=O][C][=C][Branch1][Branch1][C][Ring1][#C][=O][C][C][C][C][Ring1][Branch2][C][Ring1][Branch1]
|
CHEMBL4543446
|
[C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][Branch1][C][N][=C][Branch1][Ring1][C][#N][C][Ring1][#Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1]
|
CHEMBL17905
|
[O][=S][N][C][Branch2][Ring1][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][=N][O][Ring1][S]
|
CHEMBL17906
|
[C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][C][=C][Branch1][P][N][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][O][C][Branch1][C][N][=O][C][Ring2][Ring1][C][=N]
|
CHEMBL17908
|
[N][C][Branch1][C][N][=N][C][=Branch1][C][=O][C][=N][C][Branch1][C][Cl][=C][Branch1][C][N][N][=C][Ring1][Branch2][N].[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][P][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL17909
|
[O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C@@H1][Branch2][Ring1][Ring2][N][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C@H1][Ring2][Ring1][Ring2][O]
|
CHEMBL17999
|
[C][C][C][C][S+1][Branch1][C][O-1][C][=C][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Ring1][P][S][Branch1][C][N][=Branch1][C][=O][=O].[Na+1]
|
CHEMBL18204
|
[C][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][C][Branch2][Ring1][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][N][=N][NH1][Ring1][Branch1][=C][Ring2][Ring1][S]
|
CHEMBL18205
|
[C][O][C][=C][C][=C][Branch2][Ring1][N][C][N][=C][Branch1][#Branch1][S][C][Branch1][C][C][C][NH1][C][=Ring1][=Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][#Branch1]
|
CHEMBL18206
|
[O][=C][Branch1][C][O][C][C][Branch2][Ring1][=C][C][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][C][Ring2][Ring1][Branch2]
|
CHEMBL17926
|
[C][N][C][C][=C][Branch1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][=N]
|
CHEMBL18494
|
[C][C][=C][N][Branch2][Ring1][Branch1][C][C][=C][C][Branch1][O][O][C][P][=Branch1][C][=O][Branch1][C][O-1][O-1][C][O][Ring1][N][C][=Branch1][C][=O][NH1][C][Ring2][Ring1][Ring1][=O].[Na+1].[Na+1]
|
CHEMBL18495
|
[O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][N][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C][S][C][Ring2][Ring1][S][=C][Ring2][Ring2][Ring2]
|
CHEMBL4543456
|
[C][O][C][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=O][C][Ring1][P]
|
CHEMBL18496
|
[C][C][C][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][O][N][C][=N][C][=C][Branch1][C][N][N][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2]
|
CHEMBL18497
|
[C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][N][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][=Ring1][S][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][=C]
|
CHEMBL3310245
|
[C][C@H1][Branch2][Ring1][C][N][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1].[Cl]
|
CHEMBL18509
|
[C][O][C][=C][C][=C][Branch2][Ring2][O][N][Branch2][Ring1][O][/C][=N][/C][C][=C][N][Branch1][N][C][C][S][C][Branch1][Ring1][C][O][O][Ring1][#Branch1][C][=Branch1][C][=O][N][=Ring1][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][#C]
|
CHEMBL18510
|
[C][O][C][=Branch1][C][=O][C][S][C][Branch1][Branch2][C][C][C][Branch1][C][C][C][=C][C][=Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]
|
CHEMBL18511
|
[C][C][C][N][Ring1][Ring1][C][C][Branch1][C][O][C][C][C][C][Ring1][Ring1]
|
CHEMBL18250
|
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][O][C][=C][Branch1][C][Cl][C][=C][Branch1][C][C][C][Branch1][C][O][=C][Ring1][=Branch2][C][=Ring1][N][C][C][=C][Ring2][Ring1][Ring2]
|
CHEMBL18251
|
[C][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring1][#C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2]
|
CHEMBL18252
|
[C][Si][Branch1][C][C][Branch1][C][C][O][C][Branch1][Ring1][C][#N][C][C][C][C][C][Ring1][Branch2]
|
CHEMBL18000
|
[C][S][C][=C][C][=C][Branch2][Ring2][Ring1][C][N][C][Branch1][#C][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch2]
|
CHEMBL18001
|
[N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][O][C][Branch1][O][C][O][S][Branch1][C][N][=Branch1][C][=O][=O][C][Branch1][C][O][C][Ring1][N][O]
|
CHEMBL18003
|
[C][C][Branch1][Ring1][C][O][O][C][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][Branch1][C][O][C][Ring2][Ring1][C][O]
|
CHEMBL18094
|
[C][=C][C][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][N][=C][Ring1][N]
|
CHEMBL18095
|
[C][O][C@@H1][C@@H1][Branch1][C][C][O][C@@H1][Branch2][Ring2][N][O][C][C][C][C@@H1][C@H1][Branch1][C][C][C][C][C@H1][Ring1][=Branch1][C][Branch1][Ring1][C][=O][C][C][Ring1][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring2][Ring1][Ring1][Ring1][O][C][=Branch1][C][=O][O][C@@H1][Branch1][S][O][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring2][Ring2][#Branch2][O][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
CHEMBL17928
|
[N][=C][Branch1][C][N][N][C][C][C][Branch2][Branch1][Ring2][C][N][C][=Branch1][C][=O][C@@H1][C][C][C@H1][C][N][Branch2][Ring1][=Branch2][C][=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][#Branch1][Ring2][Ring1][#Branch2][C][C][Ring2][Ring2][Ring2]
|
CHEMBL17929
|
[O][=C][NH1][O][C][=Branch1][C][=O][NH1][Ring1][=Branch1]
|
CHEMBL17930
|
[C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][N][C][C][C][Branch2][Ring1][=N][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch1]
|
CHEMBL18019
|
[N-1][=N+1][=N][C][C@H1][C][N][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][O][Ring1][O]
|
CHEMBL18020
|
[C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][Ring2][Ring1][#Branch1]
|
CHEMBL18498
|
[C][O][C][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][=C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2]
|
CHEMBL18229
|
[N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring2][#C][C][=N][O][C][Branch2][Ring2][Ring2][C][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][#C].[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
|
CHEMBL18230
|
[C][C][C][C][N][Branch1][Ring1][C][C][C][=N][C][Branch1][C][C][=N][C][=C][Ring1][#Branch1][S][C][=Branch1][C][=S][N][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][Br]
|
CHEMBL18231
|
[O-1][S+1][Branch2][Ring1][N][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][F][Branch1][C][F][C][Branch1][C][F][F]
|
CHEMBL4543473
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][C][C][N]
|
CHEMBL4543474
|
[C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][Ring1][N]
|
CHEMBL4543475
|
[C][#C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][O][N][C][=N][C][=C][C][Branch1][S][N][C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][NH1][N][=Ring1][Branch2][=N][Ring1][#C][C][=C][Ring2][Ring1][=Branch1]
|
CHEMBL4543476
|
[C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][Branch1][N][N][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Branch2][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=C][O][C]
|
CHEMBL4543477
|
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][N][Branch1][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=C][=O][=N][O][C][=Ring2][Ring1][#Branch1][Ring2][Ring1][=N]
|
CHEMBL4543478
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][N][C][=Branch1][C][=O][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][N][=C][Ring2][Ring1][=Branch2][Ring1][P]
|
CHEMBL4543479
|
[C][N][Branch1][=C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][Ring1][N]
|
CHEMBL4543480
|
[C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][N][/N][=C][/S][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][P]
|
CHEMBL3310247
|
[C][C][C@@H1][Branch2][Ring1][C][N][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1].[Cl]
|
CHEMBL3310248
|
[C][C][Branch1][C][C][C][C@@H1][Branch1][C][C][N][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1].[Cl]
|
CHEMBL18253
|
[C][C@H1][O][C][C][C@H1][Ring1][Branch1][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]
|
CHEMBL18254
|
[C][C][Branch1][C][O][O][C][=Branch1][C][=O][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=C][Ring1][#C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2]
|
CHEMBL18339
|
[C][=C][C][=C][N][=C][Branch2][Ring2][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][O][C][=C][C][=C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][O][C][=C][Ring2][Ring1][Ring1][C][=C][C][Ring2][Ring1][O][=C][Ring2][Ring1][#C]
|
CHEMBL18340
|
[O][=C][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][C][=C][Branch1][N][O][C][C][C][C][=N][N][=N][NH1][Ring1][Branch1][C][=C][Ring1][#C]
|
CHEMBL18096
|
[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]
|
CHEMBL18097
|
[O][=C][Branch1][C][O][C][=C][C][Branch2][Ring1][C][C][N][C][C][C][N][C][C][N][C][C][C][N][C][C][Ring1][=C][=C][C][Branch2][Ring1][C][C][N][C][C][C][N][C][C][N][C][C][C][N][C][C][Ring1][=C][=C][Ring2][Ring2][Ring2]
|
CHEMBL18098
|
[C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][Ring1][Ring1][O][Ring1][=Branch2]
|
CHEMBL18099
|
[C][C][=C][N][Branch2][Ring2][P][C][C][=C][C][Branch2][Ring2][=Branch1][C][O][P][=Branch1][C][=O][Branch2][Ring1][Ring2][N][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][=N][C][=Branch1][C][=O][NH1][C][Ring2][Ring2][Ring2][=O]
|
CHEMBL18188
|
[C][C][C][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][O][N][C][=N][C][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][O][=C][Ring1][O]
|
CHEMBL18021
|
[C][C][N][Branch1][Branch1][C][C][C][N][C][C][C][C][N][Branch1][Ring1][C][C][C][C][C][N]
|
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