Datasets:

HoangHa
/

chemnlp-selfies-pretrain

Dataset card Viewer Files Files and versions Community

Split (1)

train · 34.4M rows

molecule_smiles stringlengths 2 3.43k	SELFIES stringlengths 5 9.02k
CC1(C2=C(C=CC(=C2)C3=C(C(=C(C(=C3O)O)O)O)O)C4=C1C=C(C=C4)C(C)(C)C)C	[C][C][Branch2][Branch1][Branch2][C][=C][Branch2][Ring1][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][Branch1][P][C][=Branch1][=N][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][O][O][O][C][=C][Ring2][Ring1][Ring2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C]
CC1(C2=C(C=CC(=CC2)Br)C3=CC=CC=C31)C	[C][C][Branch2][Ring1][=Branch2][C][=C][Branch1][O][C][=C][C][=Branch1][Branch1][=C][C][Ring1][#Branch1][Br][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][C]
CC(C)(C)C1=CC=C(C=C1)C2=C(C(=C(C(=C2O)O)C3=C(C(=C(C(=C3O)O)O)O)O)O)O	[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][Branch2][Ring2][=Branch1][C][=Branch2][Ring1][P][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][C][=C][Branch1][P][C][=Branch1][=N][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][O][O][O][O][O]
CC.CC(C)C1=CC=C(S1)C2=C(C(=C(C(=C2O)O)C3=C(C(=C(C(=C3O)O)O)O)O)O)O	[C][C].[C][C][Branch1][C][C][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][=C][Branch2][Ring2][=Branch1][C][=Branch2][Ring1][P][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][C][=C][Branch1][P][C][=Branch1][=N][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][O][O][O][O][O]
CC(C)C1=CC=C(S1)C2=C(C(=C(C(=C2O)O)C3=C(C(=C(C(=C3O)O)O)O)O)O)O	[C][C][Branch1][C][C][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][=C][Branch2][Ring2][=Branch1][C][=Branch2][Ring1][P][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][C][=C][Branch1][P][C][=Branch1][=N][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][O][O][O][O][O]
CC.C1=CC=C(C=C1)C2=CC=C(S2)NC3=C(C(=C(C(=C3O)O)O)O)O	[C][C].[C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][N][C][=C][Branch1][P][C][=Branch1][=N][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][O][O][O]
CC1(C2=CC=CC=C2C3=C1C=C(C=C3)NC4=CC=C(C=C4)C5CC5)C	[C][C][Branch2][Ring2][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C]
CC1(C2=CC=CC=C2C3=C1C=C(C=C3)NC4=C(C(=C(C(=C4O)O)C5=C(C6=C(C(=C5O)O)C(=C(C(=C6O)O)O)O)O)O)O)C	[C][C][Branch2][=Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=C][Branch2][Branch1][Ring1][C][=Branch2][Ring2][=C][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][C][=C][Branch2][Ring1][=N][C][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][C][=Branch1][=N][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][#Branch2][O][O][O][O][O][O][O][C]
CC1=C(C(=C(C(=C1O)O)O)NC2=CC3=C(C=C2)C4=CC=CC=C4C3(C)C)O.CC1(C2=CC=CC=C2C3=C1C=C(C=C3)NC4=CC5=C(C=C4)OC6=CC=CC=C65)C	[C][C][=C][Branch2][Ring2][#Branch2][C][=Branch1][=N][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][O][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][Branch1][C][C][C][O].[C][C][Branch2][Ring2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C]
CC1=C(C(=C(C(=C1O)O)O)NC2=CC3=C(C=C2)C4=CC=CC=C4C3(C)C)O	[C][C][=C][Branch2][Ring2][#Branch2][C][=Branch1][=N][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][O][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][Branch1][C][C][C][O]
C/C=C\C=C(/C=C)\C1=C(C2=C(C(=C(C(=C2O)O)NC3=CC4=C(C=C3)C5=CC=CC=C5C4(C)C)O)C(=C1O)O)O	[C][/C][=C][\C][=C][Branch1][Ring1][/C][=C][\C][=C][Branch2][Branch1][=Branch2][C][=C][Branch2][Ring2][O][C][=Branch2][Ring2][=Branch1][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][Branch1][C][C][C][O][C][=Branch1][=Branch1][=C][Ring2][Ring1][=N][O][O][O]
CC1(C2=CC=CC=C2C3=C1C=C(C=C3)NC4=CC5=C(C=C4)C6=C(C5(C)C)C=C(C=C6)C7=C(C(=C(C(=C7O)O)O)O)O)C	[C][C][Branch2][=Branch1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][Branch1][Branch2][C][Ring1][#Branch1][Branch1][C][C][C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch2][C][=C][Branch1][P][C][=Branch1][=N][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][O][O][O][C]
C1=CC=C(C=C1)C2=C(C3=C(C(=C(C(=C3O)O)N)O)C(=C2O)O)O	[C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][Branch2][Ring1][=N][C][=C][Branch1][P][C][=Branch1][=N][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][N][O][C][=Branch1][Branch1][=C][Ring1][=C][O][O][O]
C1=CC=C2C(=C1)C3=C(C24C5=CC=CC=C5C6=CC=CC=C46)C=C(C=C3)C7=C(C(=C(C(=C7O)O)O)O)O	[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][Branch2][Ring1][=Branch1][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=N][Ring1][=Branch1][C][=C][Branch1][=Branch1][C][=C][Ring2][Ring1][Ring1][C][=C][Branch1][P][C][=Branch1][=N][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][O][O][O]
CC1=C(C(=C(C(=C1O)O)O)O)C2=CC(=C(C=C2)C3=CC=C(C=C3)N(C)C4=CC=C(C=C4)C5=CC=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC=C7)C(C)(C)C.C=CC1=C(C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C51)C=C	[C][C][=C][Branch1][P][C][=Branch1][=N][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][O][O][C][=C][C][=Branch2][Branch1][=N][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C].[C][=C][C][=C][Branch2][Ring2][C][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1][C][=C]
CC1=C(C(=C(C(=C1O)O)O)O)C2=CC(=C(C=C2)C3=CC=C(C=C3)N(C)C4=CC=C(C=C4)C5=CC=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC=C7)C(C)(C)C	[C][C][=C][Branch1][P][C][=Branch1][=N][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][O][O][C][=C][C][=Branch2][Branch1][=N][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C]
CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)N(C7=CC=C(C=C7)OC)C8=C(C(=C(C(=C8O)O)O)O)O)C	[C][C][Branch2][#Branch1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch1][=N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][O][C][C][=C][Branch1][P][C][=Branch1][=N][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][O][O][O][C]
CC.CN(C1=CC=C(S1)C2=CC=CC=C2)C(=C)/C=C\C(=C)C/3=C=CC=C=C(/C=C3)Br.C1=C(C(=C(C(=C1O)O)O)O)O	[C][C].[C][N][Branch2][Ring1][C][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=C][/C][=C][\C][=Branch1][C][=C][C][=C][=C][C][=C][=C][Branch1][Branch1][/C][=C][/-Ring1][Branch2][Br].[C][=C][Branch1][P][C][=Branch1][=N][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][O][O][O]
CN(C1=CC=C(S1)C2=CC=CC=C2)C(=C)/C=C\C(=C)C/3=C=CC=C=C(/C=C3)Br	[C][N][Branch2][Ring1][C][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=C][/C][=C][\C][=Branch1][C][=C][C][=C][=C][C][=C][=C][Branch1][Branch1][/C][=C][/-Ring1][Branch2][Br]
CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)N(C7=CC=C(S7)C8=CC=CC=C8)C9=C(C(=C(C(=C9O)O)O)O)O)C	[C][C][Branch2][#Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][Branch2][Ring1][C][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][P][C][=Branch1][=N][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][O][O][O][C]
CC.CC1=C(C(=C(C(=C1O)O)C2=C(C3=C(C(=C2O)O)C(=C(C(=C3O)O)O)O)O)O)O	[C][C].[C][C][=C][Branch2][Branch1][Ring1][C][=Branch2][Ring2][=C][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][C][=C][Branch2][Ring1][=N][C][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][C][=Branch1][=N][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][#Branch2][O][O][O][O][O][O][O]
CC1=C(C(=C(C(=C1O)O)C2=C(C3=C(C(=C2O)O)C(=C(C(=C3O)O)O)O)O)O)O	[C][C][=C][Branch2][Branch1][Ring1][C][=Branch2][Ring2][=C][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][C][=C][Branch2][Ring1][=N][C][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][C][=Branch1][=N][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][#Branch2][O][O][O][O][O][O][O]
CC1(C2=CC=CC=C2C3=C1C=C(C=C3)NC4=C(C(=C(C(=C4O)O)C5=C(C(=C(C(=C5O)O)O)O)O)O)O)C	[C][C][Branch2][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=C][Branch2][Ring2][=Branch1][C][=Branch2][Ring1][P][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][C][=C][Branch1][P][C][=Branch1][=N][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][O][O][O][O][O][C]
C1=CSC(=C1)C2=CC=C(C=C2)C3=C(C(=C(C(=C3O)O)O)O)O	[C][=C][S][C][=Branch1][Ring2][=C][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][Branch1][P][C][=Branch1][=N][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][O][O][O]
CC=C.CC1=C(C(C(=C1C)/C=C(\C=C)/NC2=CC=C(S2)C3=CC=CC=C3)(C)C)C=C	[C][C][=C].[C][C][=C][Branch2][Ring2][Branch2][C][Branch2][Ring1][S][C][=Branch1][Branch1][=C][Ring1][Branch1][C][/C][=C][Branch1][Ring1][\C][=C][/N][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][C][C][C][C][=C]
CC1=C(C(C(=C1C)/C=C(\C=C)/NC2=CC=C(S2)C3=CC=CC=C3)(C)C)C=C	[C][C][=C][Branch2][Ring2][Branch2][C][Branch2][Ring1][S][C][=Branch1][Branch1][=C][Ring1][Branch1][C][/C][=C][Branch1][Ring1][\C][=C][/N][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][C][C][C][C][=C]
CC1=C(C(=C(C(=C1O)O)C2=CC=C(C=C2)NC3=CC4=C(C=C3)C5=CC=CC=C5C4(C)C)O)O	[C][C][=C][Branch2][Branch1][Branch1][C][=Branch2][Ring2][S][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][Branch1][C][C][C][O][O]
CC1(C2=CC=CC=C2C3=C1C=C(C=C3)NC4=CC5=C(C=C4)C6=C(C57C8=CC=CC=C8C9=CC=CC=C79)C=C(C=C6)C1=C(C(=C(C(=C1O)O)O)O)O)C	[C][C][Branch2][#Branch1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][Branch2][Ring1][=Branch1][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=N][Ring1][=Branch1][C][=C][Branch1][=Branch1][C][=C][Ring2][Ring1][Ring1][C][=C][Branch1][P][C][=Branch1][=N][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][O][O][O][C]
CC/C=C(\C=C/C)/N(C1=CC=C(C=C1)/C(=C/C=C)/C=C\C)C2=CC3=C(C=C2)C(=C(C3(C)C)/C=C\C)CC	[C][C][/C][=C][Branch1][Ring2][\C][=C][/C][/N][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][/C][=Branch1][Ring2][=C][/C][=C][/C][=C][\C][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=Branch1][=C][=C][Branch1][Branch2][C][Ring1][#Branch1][Branch1][C][C][C][/C][=C][\C][C][C]
CC1(C2=CC=CC=C2C3=C1C=C(C=C3)NC4=CC=C(C=C4)C5=C(C(=C(C(=C5O)O)C6=C(C(=C(C(=C6O)O)O)O)O)O)O)C	[C][C][Branch2][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][=C][Branch2][Ring2][=Branch1][C][=Branch2][Ring1][P][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][C][=C][Branch1][P][C][=Branch1][=N][=C][Branch1][=Branch2][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][O][O][O][O][O][O][C]