Datasets:
HoangHa
/
molenet-smiles-pretrain

Dataset card Data Studio Files
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Community
molecule_smiles
stringlengths
1
1.15k
O=C(CCO)C(F)(F)F
CCCC(=O)C(F)(F)F
CCOC(=N)C(F)(F)F
CNCC(=O)C(F)(F)F
COCC(=O)C(F)(F)F
NC(CCO)C(F)(F)F
OCCC(O)C(F)(F)F
CC(CCO)C(F)(F)F
CCCC(C)C(F)(F)F
CCCC(N)C(F)(F)F
CCCC(O)C(F)(F)F
CCNC(C)C(F)(F)F
CCOC(C)C(F)(F)F
COCC(C)C(F)(F)F
COCC(N)C(F)(F)F
COCC(O)C(F)(F)F
OCCCCC(F)(F)F
OCCNCC(F)(F)F
OCCOCC(F)(F)F
CCCCCC(F)(F)F
CCCNCC(F)(F)F
CCCOCC(F)(F)F
CCOCCC(F)(F)F
COCCCC(F)(F)F
C1=C2C3C4CC3(C1)C24
C1=C2C3C4OC3(C1)C24
C1=C2C3N4CC3(C1)C24
C1=C2CC3C1C1OC3C21
N1=C2NC3C1C1OC3C21
C1N2C3C4C2C12CN4C32
C1N2C3C4C5OC1(C53)C42
C1=C2CCC34OC(C13)C24
C1=CC2C3NC24C1OC34
C1CC2C3CC24C1OC34
CC12C3=CC4C(=C3)C1C42
CC12C3=CC4C(=C3)C1N42
OC12C3=CC4C(=C3)C1C42
CC12C3C=C4C=C3C1C42
CC12C3N=C4C=C3C1N42
OC12C3C=C4C=C3C1C42
CC12C3C=C4C(C3)C1C42
CC12C3C=C4C(O3)C1C42
CC12C3CC4C(=N3)N1C42
CC12C3C=C4C(C3)N1C42
NC12C3CN4C(=N3)C1C42
OC12C3C=C4C(C3)C1C42
OC12C3C=C4C(O3)C1C42
OC12C3CN4C(=N3)C1C42
CC12C3=CC4=CC3C1C42
CC12C3=CC4=NC3C1N42
CC12C3=CC4=CC3N1C42
OC12C3=CC4=CC3C1C42
CC12C3CC4C=C3C1C42
CC12C3OC4C=C3C1C42
CC12C3CC4N=C3N1C42
CC12C3CC4C=C3C1N42
OC12C3CC4C=C3C1C42
OC12C3OC4C=C3C1C42
CC12C3=CC4CC3C1C42
CC12C3=CC4OC3C1C42
CC12C3=NC4CN3C1C42
CC12C3=CC4CC3C1N42
CC12C3=CC4CC3N1C42
OC12C3=CC4CC3C1C42
OC12C3=CC4OC3C1C42
OC12C3=NC4CN3C1C42
CC12CC34CC=C(C13)C24
CC12OC34CC=C(C13)C24
OC12CC34CC=C(C13)C24
CC1C2C3C4=CCC13C42
CC1N2C3C4=CCC13C42
CN1C2C3C4=CCC31C42
OC1C2C3C4=CCC13C42
CN1C2CC13COCC23
CN1C2CC13CC(O)C23
C1C2CC3CC4CC1C234
C1C2CC3OC4CC1C234
C1C2CN3CC4OC1C243
C1C2OC3CC4OC1C234
C1C2CC34CC(C13)C4O2
C1C2CC3C4CC3(C2)C14
C1C2CC3C4CC3(O2)C14
C1C2OC3C4CC3(O2)C14
C1C2OC3C4CC13C4O2
C1C2CC34CC(C3O2)N14
C1C2CC3N4CC3(C2)C14
C1C2CC3N4CC3(O2)C14
C1C2C3C2C2C4OC12C43
C1C2C3C4C5C2C13CN45
C1C2C3C2C2C4CC12C43
C1C2C3C4C5CC13C2N54
C1C2C3C2N2C4CC12C34
C1C2C3C4C5OC13C2C54
C1C2C3C4C5OC14C5N23
C1N2C3C2C2C4OC12C43
C1N2C3C2C2N4CC12C34
C1C2C3C2C2N4CC12C34
C1N2C3C4C5OC13C2C54