smiles
stringlengths 28
59
|
|---|
CCCC(C)C(=O)NC1CC1NC(=O)c1cnc(C)cc1C |
CSCC(=O)NC1CC12CC(NC(=O)Cc1nccn1C)C2 |
CCCC(C)C(=O)NCC1C2CN(C(=O)C3=C(Cl)CCC3)CC12 |
O=C(Cc1cnsc1)NC1COC2CN(C(=O)C3(F)CC3)CC12 |
O=C(Nc1ccc(OCC(F)(F)F)cn1)c1ccc(=O)[nH]c1 |
C=C(Cl)CNC(=O)C(n1cc(-c2cnn(C)c2)nn1)C(C)(C)C |
COC(=O)C1(SC)CN(C(=O)C(C)C2CCC(C)(C)CC2)C1 |
Cc1nc(=O)cc(CN2CCC(Oc3ccncc3C)CC2)[nH]1 |
CN(Cc1cn(C2CC(C(=O)N3CC(F)C3)C2)nn1)C1CC1 |
NCc1cn2ccc(C(=O)N3CC(F)CC3C(N)=O)cc2n1 |
CCC(=O)NC1CCN(C(=O)C(C)Cc2c[nH]cn2)CC1O |
Cc1[nH]c(=O)[nH]c1C(=O)N1CCN(C(=O)C2(C)CC2)CC(O)C1 |
CC1CCC(C(=O)N2CC3CC(NC(=O)C4(O)CC4)C2C3)CC1 |
COCCC(=O)N1CCN(C(=O)C=N[SH](C)(C)=O)CC(CO)C1 |
CC1(OCC(=O)N2C3CCC2CC(CNC(=O)CO)C3)CCC1 |
CC1C(NC(=O)CC2CCC2)CCCN1C(=O)C1CCCCS1 |
COC1(C(=O)NC2CN(C(=O)C(C)CC(C)C)CC2C)CCC1 |
O=C(NC1CCN(C(=O)c2coc(C3CCC3)n2)C1)C1CSC1 |
COC(=O)c1cccc(C(NCc2cccc(C)c2)C(=O)O)c1 |
COC1(CNC(=O)c2ccncc2)CN(C(=O)CC(C)(C)O)C1 |
COC(=O)c1cccc2c1CN(C(=O)Cc1cccnc1)C2 |
CCCn1cnnc1NC(=O)C(c1ccncc1)C1CCCC1 |
N#CCCC(=O)NC1CCCCCC1NC(=O)c1csc(=O)[nH]1 |
Cc1ccc(C(=O)N2CC(NC(=O)C3(C)CSC3)C2)nc1C |
CN1CCC(C(=O)N2CCCC(NC(=O)c3cnc(N)s3)C2)C1 |
CCC(C)C(=O)NC(C)(C)CNC(=O)c1cccc2ncsc12 |
CN(C(=O)c1cnn(C)n1)C1CCN(C(=O)c2cccs2)CC1 |
N#CC1(C(=O)N2CC3CC(NC(=O)c4cscn4)C2C3)CC1 |
Cc1c(C(=O)NCC2CC(F)(CNC(=O)C(F)F)C2)ncn1C |
COC(C)(C)C(=O)N1CC(C2(NC(=O)Cn3ccnn3)CC2)C1 |
CNC(=O)CCC(=O)NC12CC(CNC(=O)C(C)(C)C)(C1)C2 |
N#CCCC(=O)N1CCCC(CCNC(=O)c2ccco2)CC1 |
N#Cc1cncc(C(=O)NC(CC(N)=O)C2CCCCC2)c1 |
CCC1CN(C(=O)CC(C)(C)CC)CCN1C(=O)C(C)CF |
CC(=O)OC1(C(=O)N2CCCC(C(C)NC(=O)CCF)C2)CC1 |
CC1CCC1C(=O)N(CCN(C)C(=O)c1ccn(C)c1)C(C)C |
CCC1CC1C(=O)NC1CN(C(=O)c2[nH]cnc2C)CC12CC2 |
Cc1n[nH]c(CC(=O)NCCN(C)C(=O)C2(F)CCCC2)n1 |
CC(C)(C)CC(=O)NCC1C2CC2CN1C(=O)C1CC1(F)F |
CCOC(=O)CC(N(C)C(=O)C1CCN(C)C(C)C1)C(F)(F)F |
CC1CC1(F)C(=O)N1CCC(O)(CNC(=O)CC2CCCC2)C1 |
CCC(C(=O)N1CC(NC(=O)CNC(=O)OC)C1)C(F)(F)F |
CN(C)CC(=O)N1CC(O)(CNC(=O)C2(CO)CCCCC2)C1 |
CC(C)C(=O)N1CC(CNC(=O)CN2CCCC(N(C)C)C2)C1 |
COC(C)C(=O)N(C)C(C)CNC(=O)c1cc(C(C)(C)C)no1 |
Cc1cscc1C(=O)N(C)CC(C)NC(=O)c1ccc(C#N)[nH]1 |
CC1C2CC(C2NC(=O)C2CCN(C)S2(=O)=O)N1C(=O)CO |
CC(C)c1cc(C(=O)NC2CCN(C(=O)c3ccoc3)C2)no1 |
CCc1c(C(=O)NC2C(C)(C)C2(C)C)nnn1-c1ccccc1 |
CSCC(=O)NC1CCCN(C(=O)C2C3C4CCC(C4)C23)CC1 |
CC1CN(C(=O)c2cncc(Cl)c2)CCN1C(=O)C1CCC1 |
O=C(CC1OCCO1)NC1CC1CNC(=O)c1ccccn1 |
Cc1cc(NC(=O)c2ccc3c(n2)CCC3)ccc1C(=O)O |
COc1c(C(=O)NCCN(C)C(=O)c2ccco2)csc1C |
CSC(C)C(=O)NC1CC1NC(=O)Cc1cccc(F)c1Cl |
CCC(=O)N1CCC(C(C)C)CC1CNC(=O)c1c[nH]nn1 |
CCOc1ccccc1C(=O)N1CCCCCC1C(=O)OC |
O=C(C1CCC1)N1CCC(F)(CNC(=O)C2(CF)CCC2)CC1 |
CN(C(=O)CC1CS(=O)(=O)C1)C1CCN(C(=O)CC2(C)CC2)C1 |
Cc1cc(NC(=O)N2CC3CC2CN3C2CCC2)nn1C(C)C |
CC(=O)NC1CCCN(C(=O)C2CCSc3ccccc32)C1 |
Cc1cc(C(=O)N2CCOCC2CNC(=O)CCF)sc1Cl |
Cc1ccc(C(=O)NC2(CNC(=O)C3CCC3C)CC2)c(F)c1 |
CC1C(NC(=O)c2c[nH]c(Cl)n2)CCN1C(=O)c1ccon1 |
CNC(=O)c1ccc(CNC(=O)c2c(C)cc(Cl)cc2C)cn1 |
CC(F)(F)C(=O)N1CC(O)C(NC(=O)CC2(C(F)(F)F)CC2)C1 |
CC(C)OC(C)(C)C(=O)NC1CC2C1CCN2C(=O)C1CCC1 |
O=C(CCCF)NCC1CC2CC2N1C(=O)C1CS(=O)(=O)C1 |
CCC(C)(C)OC1CN(C(=O)C2(n3cccn3)CCCC2)C1 |
Cc1scnc1C(=O)N1CC2(CN(C(=O)c3cc(F)c[nH]3)C2)C1 |
CC1CCCN1CC(=O)NCC1CCN1C(=O)Cc1cn[nH]c1 |
CC(=O)N1CCC(C(C)(C)NC(=O)CC2CSCCS2)CC1 |
Cc1n[nH]c(=O)c(CNC(=O)N2CCS(=N)(=O)C(C)C2)c1C |
Cc1ccc(C(=O)NCC2CC2NC(=O)C(C#N)C(C)C)nc1 |
COC(=O)c1cccc(-c2cc(F)c3[nH]c(O)cc3c2)c1C#N |
CC(C(=O)N1CC2(C1)CN(C(=O)C1(C#N)CC1)C2)c1cncs1 |
Cc1ccc(F)c(C(=O)N(C)CCNC(=O)CC2CC(=O)C2)c1 |
CCC1(C(=O)NC2CCC(NC(=O)C3CCCOC3)C2)CC1 |
CC(=O)N(C)CC1CN(C(=O)Cn2cc(Cl)c(C)n2)CC12CC2 |
CCON1CCN(S(=O)(=O)c2ccc(C(C)CC)cc2)CC1 |
CCC(CNC(=O)c1ccc[nH]c1=O)NC(=O)C12CCC(C1)C2 |
CSc1ncc(C(=O)NC2CCC2NC(=O)CC(C)F)n1C |
Cc1noc(C)c1NC(=O)NCC1(S(C)(=O)=O)CCOCC1 |
O=C(CCCN1CCCCC1)NC1CN(C(=O)c2cnco2)C1 |
N#Cc1nonc1NC(=O)NC1CC(Nc2ccccc2)C1 |
COC1(CNC(=O)Cc2cccc(C)c2C)CN(C(C)=O)C1 |
CC(C(=O)NC1CN(C(=O)CC#N)C1)c1c(F)cccc1F |
CCC(C(=O)N1CCC(NC(=O)c2cnn(C)c2C)C1)C(C)C |
CSCC(=O)N1CCC(C2CC(NC(=O)Cn3cccn3)C2)C1 |
O=C(Nc1ccc(C2CC2)nn1)N1CCC(S(=O)(=O)C(F)F)C1 |
CNC(=O)c1ccc(COC(=O)C23CCC(CC2)CO3)cc1 |
COC(=O)C1(O)CN(Cc2ccc(-c3ccccc3)cc2F)C1 |
COC(C)C(=O)NC1CC2CCC1C(NC(=O)c1ccon1)C2 |
Cc1ncc(C(=O)NCC2(NC(=O)c3ccon3)CCCC2)s1 |
CCC1CCC(C(=O)N2CCC3(CN(C(=O)CCOC)C3)C2)C1 |
CC(C)C(=O)NCC1CCCCN1C(=O)C1(C)CCN(C)CC1 |
C[S+]([O-])CCC(=O)NC1CN(C(=O)C23CCCC2CC(=O)C3)C1 |
CCC(O)C(=O)NC1CCCC1NC(=O)c1ncc(F)cn1 |
N#Cc1csc(C(=O)N2CCC(n3cc(C4CCC4)nn3)C2)c1 |
CCC(C)C(=O)N1C(CNC(=O)c2csc(C)c2)CC2CC21 |
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