Datasets:
HoangHa
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pubchem-smiles-pretrain

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molecule_smiles
stringlengths
1
3.53k
COCCC(C)(C(=O)O)N1C(=O)COCC1=O
COCC(C)(Nc1c(F)cccc1F)C(=O)O
COCC(C)(Nc1cccc(F)c1F)C(=O)O
COCCC(C)(C(=O)O)n1c(C)csc1=O
COc1ccc(C(C)S(N)(=O)=O)c(OC)c1
CCOc1cccc(CS(N)(=O)=O)c1OC
COc1ccc(OC)c(C(C)S(N)(=O)=O)c1
COCCC(C)(NC(C)C1CCCO1)C(=O)O
CCOc1ccc(CS(N)(=O)=O)cc1OC
COCCOCCNC1(C(=O)O)CCCCC1
COCCC(C)(C(=O)O)N1CC(C)OC(C)C1
COCCC(C)(NCC1CCCOC1)C(=O)O
CCC1COCCN1C(C)(CCOC)C(=O)O
COCCC(C)(C(=O)O)N1CC(C)OCC1C
CCOc1cc(CS(N)(=O)=O)ccc1OC
COCCC(C)(Sc1n[nH]c(C)n1)C(=O)O
COCCC(C)(C(=O)O)N1CCOC(C)(C)C1
COCCC(C)(NCC1CCCCO1)C(=O)O
CC1CCCC(NCCOCCO)(C(=O)O)C1
COCCC(C)(C(=O)O)N(C)C1CCOCC1
COCCC(C)(NC1CCCC1OC)C(=O)O
O=C1NCCCC1Nc1c(O)[nH]c2ccccc12
COCCC(C)(NCCC1CCCO1)C(=O)O
COCCC(C)(Sc1nncn1C)C(=O)O
COCCC(C)(C(=O)O)N1CCOCC1(C)C
O=C(O)C1(NCCOCCO)CCCCCC1
COCCC(C)(C(=O)O)N(C)CC1CCCO1
CCC1CN(C(C)(CCOC)C(=O)O)CCO1
CCNC(C1=CCCC1)c1ccc2c(c1)OCO2
CC1CCCCC1(NCCOCCO)C(=O)O
CCC(CC)(CO)NC1(C(=O)O)CCOCC1
Cc1cn2c(CS(N)(=O)=O)c(C)nc2s1
O=C(O)C1(NC2CC2c2ccccc2)CCCC1
COCc1[nH]c(C(N)Cc2ccccc2)nc1C
COCCC(C)(C(=O)O)N1CCC(OC)CC1
CNC(C1=CCCCC1)c1ccc2c(c1)OCO2
CC1(C)CC1NC1(C(=O)O)Cc2ccccc2C1
NC(C1=CCCCCC1)c1ccc2c(c1)OCO2
CC(NC1CC1c1ccccc1)(C(=O)O)C1CC1
NCC1CCCCN1c1c(O)[nH]c2ccccc12
CC1(C)CC1NC1(C(=O)O)CCc2ccccc21
NCC1CCN(c2c(O)[nH]c3ccccc23)CC1
Cc1ccc(C)c2c(N3CCC(N)C3)c(O)[nH]c12
Cc1cc(C)c2[nH]c(O)c(N3CCC(N)C3)c2c1
COC1CCCC1NC1(C(=O)O)CCSC1
NS(=O)(=O)C(c1cccs1)C1CCCC1
NCC1CCCN(c2c(O)[nH]c3ccccc23)C1
COCCCCNC(C)(CCC(C)C)C(=O)O
CCc1ccc2[nH]c(O)c(N3CCC(N)C3)c2c1
COCCC(C)(NC1(CO)CCCC1)C(=O)O
Cc1cccc2c(N3CCC(CN)C3)c(O)[nH]c12
CCOCC(C)NC(C)(CCC(C)C)C(=O)O
Cc1ccc2c(N3CCC(N)C3)c(O)[nH]c2c1C
COCCC(C)(C(=O)O)N(C)C(C)C(C)(C)C
CCCC(CCC)(NC(C)COCC)C(=O)O
COCCC(C)(C(=O)O)N(C)C(C)CC(C)C
COCc1[nH]c(CC(N)c2ccccc2)nc1C
Cc1nc2scc(C)n2c1CS(N)(=O)=O
CC(CCNC1CC1)Oc1ccc2c(c1)CCC2
Cc1ccc2[nH]c(O)c(N3CCC(CN)C3)c2c1
COc1ccc(C(C)S(N)(=O)=O)cc1OC
Cc1cc(C)c2c(N3CCC(N)C3)c(O)[nH]c2c1
CCCCN(CCCC)C(C)(COC)C(=O)O
FC(F)C(F)(F)COc1cnnc(Cl)n1
CCCCC(C)NC1(C(=O)O)CCSCC1
CCCC(CCC)(NCCCCOC)C(=O)O
CC(CCNC1CC1)OCC=Cc1ccccc1
CCCc1c[nH]c(C(N)CCS(C)(=O)=O)n1
CN(CC(C)(C)C)C1(C(=O)O)CCSCC1
CCCC(CC)NC1(C(=O)O)CCSCC1
CCC(CC)(CO)NC(C)(CC(C)C)C(=O)O
COCCC(C)(C(=O)O)N(CC(C)C)C(C)C
COCC(C)(C(=O)O)N(C)c1ccc(F)cc1
COCC(C)(C(=O)O)N(C)c1ccccc1F
NC(CCOCC(F)(F)F)CC1CCCO1
CCCCCC(C)NC(C)(CCOC)C(=O)O
CCCNC1CC(C)Oc2cc(F)cc(F)c21
Cc1nnc(Sc2cnnc(Cl)n2)s1
COCC(C)(Nc1cccc(F)c1C)C(=O)O
N#CCC(Oc1ccccc1F)c1ccccc1
Cc1ccc(C#N)cc1Nc1cnnc(Cl)n1
COCCN(C1CC1)C(C)(CCOC)C(=O)O
CCN(Cc1ccco1)C(C)(COC)C(=O)O
CC(C)NC1CC(C)Oc2cc(F)cc(F)c21
CCNCCC(C)Oc1ccc(F)cc1Cl
NCC1CCCCC1Oc1cc(F)cc(F)c1
N#CCC(Oc1ccc(F)cc1)c1ccccc1
CCCNC1c2c(F)cc(F)cc2OCC1C
N#CCC(Oc1cccc(F)c1)c1ccccc1
COCC(C)(C(=O)O)N(C)Cc1cnn(C)c1
C=CCc1ccccc1OC(C)CCNC1CC1
CCC(C)C(C)(N)CCCOCC(F)(F)F
CC(CCNC1CC1)Oc1cc(F)cc(F)c1
COCC(C)(NC(C)Cn1cccn1)C(=O)O
COCC(C)(NC(C)Cn1ccnc1)C(=O)O
CCCCOCCC(CC(F)(F)F)NCC
CCC(N)(CCCOCC(F)(F)F)C(C)C
CCOc1ccc(C)cc1C(=O)c1ccncc1
COCC(C)(C(=O)O)N(C)Cc1ccoc1C
COCC(C)(Sc1ccc(N)cc1)C(=O)O