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phanvancongthanh
/
data_part02

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smiles
stringlengths
19
57
NC(Cc1[nH]cnc1Br)C(=O)NCCn1cccn1
Cc1cc(C)c(CNC(=O)C(N)C2CCCCO2)cn1
CCCC(NC(C)=O)C(=O)N(CC1CC1)C(C)C1CC1
CCS(=O)(=O)c1ccc(NC(=O)Nc2conc2C)cn1
N#Cc1sc(NCc2ccn(C(F)(F)F)n2)nc1Cl
CC(C)(NS(=O)(=O)N1CC2CCC2C1)c1cccc(F)c1
O=C(NCC1CN(CC(F)(F)F)C1)c1csc(C(F)F)c1
CCCn1cc(C(=O)NCC2(OCCO)CCOCC2)nn1
Cc1c(C(F)(F)F)nn(C)c1NC(=O)NC(C)CC[S+](C)[O-]
CC(C)C1CCCC(NC(=O)NCc2n[nH]c(N(C)C)n2)C1
Cc1c(CC(=O)N2CCN(C)CC2C)nc(Br)n1C
Cc1conc1C(=O)Nc1cc(Cl)c(F)cc1C#N
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC2(CC2)C1
O=S1(=O)CCC(NC2CCNC2)c2cccc(F)c21
Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NC1COCC1(C)C
CS(=O)(=O)N1CCC1C(=O)N1CCC2(CC1)CNC(=O)N2
CC1COCC1NC(=O)c1cc2sc(N(C)C)nc2s1
NCC(CO)NC(=O)C1CCN(C2CCS(=O)(=O)C2)CC1
CCC(CF)NC(=O)CNC(=O)Cc1cccc(F)c1
CC1CCC(CN(C)C(=O)C2CN(C3CCC3)C2)CC1
CCC(C)N(C)S(=O)(=O)N1CC(C)(C)CCC1(C)C
CC1CC(C(=O)NC2CCN(C(=O)C34CCC3C4)CC2)C1
CC(C)c1ncccc1NC(=O)C(N)CC1CCOC1
COc1ccc(F)c(C(=O)Nc2cccc(N(C)C)n2)c1
COc1cc(C)c(S(=O)(=O)NCc2cc(C)ns2)cc1C
O=C(NCC1CCCCN1)c1ccc2[nH]c(=O)[nH]c2c1F
CCn1ncc(Cl)c1C(=O)NC(CO)Cc1ccc(O)cc1
CN(C(=O)CO)C1CC(NC(=O)CSc2cnn(C)c2)C1
O=C(NC1C2CCC1N(C(=O)c1cncs1)C2)C1CSC1
Cc1ccc(C(=O)O)cc1C(=O)N(C)C(C)(C)C(N)=O
COC(=O)c1cc(F)cc(C(=O)Nc2cc(OC)ns2)c1
CC(O)(CSc1cccc(F)c1)C(=O)NC1CSC1(C)C
CC(=O)NCCC(C)N(C)C(=O)c1sccc1C#N
COC(=O)CC1CC(NC(=O)N2CC3CC2CS3(=O)=O)C1
CC(C)(C)C(=O)NCC(O)CNC(=O)C12CC(O)C1C2
O=C(NCc1ccc2c(c1)COC2)C1(CO)CC1(F)F
CC(CNC(=O)C(O)C(C)(C)C)NC(=O)c1ccoc1Cl
CCCN1CCC(NC(=O)N2CCCC2(CCC)COC)C1
CC(C)(C)c1ncncc1C(=O)OCC1CCCCO1
CC(NCCC1OCCO1)c1ccc(S(N)(=O)=O)cc1
Cn1nnc(CN)c1C(=O)NC1CCC=C1Br
COC(=O)c1cc(Cl)cc(NS(=O)(=O)c2cccnc2)c1
CCC(=O)N1CCC(NC(=O)C(C)c2nc(C)cs2)CC1
NC(=O)c1cocc1C(=O)N1CCc2ncccc2C1
O=C1CCC2(CC1)CCC2CC(=O)NCC1=NOCC1
CC(C1CCOCC1)N(C)C(=O)NCc1ncccn1
Cc1cn(C(C)C)nc1NC(=O)NC(C)COC(F)F
O=C(NCC1(O)CCCSC1)Nc1cc(C(F)F)ccn1
Cc1cc(C#N)cnc1NC(=O)NCCC1CCOC1C
Cc1c(C(=O)N2CC(C)(C)C3COCC32)nn2c1OCCC2
CC(F)(F)C(=O)N1CC(O)(CNC(=O)CC(F)(F)F)C1
NC(=O)Cc1csc(NC(=O)c2cncc(C(F)(F)F)c2)n1
CC(C#N)C(=O)N1CCCCC1CNC(=O)C(F)(F)CF
CCn1ccnc1S(=O)(=O)N1CC(CF)(OC)C1
Cc1nsc(N)c1C(=O)NCC1CCN1C(=O)C(C)(C)F
CS(=O)(=O)CC1(Cn2nnn(-c3ccccc3)c2=O)CCC1
COC(=O)c1cnncc1NC(=O)c1cc(C)n(C)c1C
CCCC(=O)NCC1(O)CC(NC(=O)c2cc(Cl)no2)C1
CCCCC(=O)NC1CCN(C(=O)c2cc[nH]n2)CC1F
CNS(=O)(=O)CC1CCCN1C(=O)NCc1nocc1C
CC(NS(=O)(=O)c1cc(C(N)=O)ccc1F)C1CCCN1
Cc1nn(C(C)C)cc1NC(=O)C1(C2(O)CNC2)CCC1
Cn1cncc1C1CCCN(C(=O)C2CCCCC2O)C1
Cc1n[nH]c(CCN2CCc3c(CO)nn(C)c3C2)n1
CC(F)(F)C(=O)N1CCCCC1CNC(=O)C(F)C1CC1
CS(=O)(=O)CC(=O)NCc1ccc(C(F)(F)F)cn1
Nc1cnc(C(F)(F)F)cc1C(=O)NC(CO)CC(F)F
COC(=O)c1cc2ccccc2c(NCCC2CCOC2)n1
Cc1ncsc1CCC(=O)Nc1cnn(C2CCN(C)CC2)c1
Cc1[nH]c(-c2cccnc2)nc1C(=O)NC1COCC1F
CC(F)(F)C(=O)NC12CCC(C1)N(C(=O)c1cc[nH]n1)C2
CC(=O)NC1(C(=O)N2CC(CC(=O)O)C(C)(C)C2)CC1
CC(=O)N1CC2CCCN(C(=O)C(C)c3ncco3)C2C1
COc1ccc(CNC(=O)c2c[nH]c(=O)n2C)cc1Br
CN(C)C(=O)COc1ccccc1C(=O)OC1CCC1(C)C
COC(=O)Cc1csc(NC(=O)C2CC2c2cccc(O)c2)n1
Cn1cc(NC(=O)c2ccc(F)c(C#N)c2)c(C(N)=O)n1
CNc1ncc(C(=O)N2CCCC(S(N)(=O)=O)C2)o1
CSCC(=O)NC1CCc2cc(CNC(=O)CO)ccc21
CC(F)CC(=O)N1CC(CNC(=O)c2ccc(N)cn2)C1
Cc1csc(C(C)CNc2cnccc2C(N)=O)n1
Cc1sc(NC(=O)c2cnn(CCF)c2)nc1C(F)(F)F
CC(C)C(=O)N(C)CCNC(=O)C1(C)CCCCC1(F)F
Cn1[nH]c(C(=O)NC2CCCN(c3ccccc3F)C2)cc1=O
Cc1nnnn1CC(=O)N1CC(CNC(=O)C2(F)CC2)C1
N#CCc1cccc(C(=O)N2CCN(c3cnccn3)CC2)c1
Cn1cc(C(OC(=O)c2cncs2)C(F)(F)F)cn1
CC(C)COC1CN(C(=O)OCCc2ccccc2)C1
CC(C)(O)CC(=O)N1CC(O)CC1CNC(=O)CO
CSCCN(C)C(=O)CC1(N)CCN(Cc2ccccc2)CC1
COC(=O)C1(CNCC2CCN(C)CC2)CCC(C)CC1
CN(C)c1ccnc(C(=O)N2CCC(O)CC2CO)c1
COC1CC(CCNS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)C1
COC(=O)C1(SC)CN(C(=O)Nc2nc(=O)ccn2C)C1
CN(C)C1CCCN(C(=O)Nc2cc(C(F)F)n(C)n2)C1
COC(=O)c1cncc(C(=O)N2CCCC3(CNC(=O)O3)C2)c1
CCC1(C)CC(NS(=O)(=O)c2cc(OC)ccc2F)C1
Cc1cc(C(F)(F)F)nnc1NC(=O)NCC(F)(F)CO
CC(OC(=O)C1C2CC3C(C2)C31)C(=O)N(C)CCC#N
CCC(NC(=O)c1cc2c(s1)CN(C)CC2)C1CCOC1