smiles stringlengths 6 131 |
|---|
Cc1noc(C)c1CNC(=O)[C@H](NC(=O)CCC1CC1)c1cccs1 |
COCCO[C@@H](C)C(=O)N1CCC(C)(C)[C@H]1C(=O)NCCS(C)(=O)=O |
CCn1cccc1C(=O)NC[C@H]1CN(C(=O)[C@H]2CCSC2)C(C)(C)C1 |
C[C@H](C(=O)N(CC(=O)NC[C@@H]1COC[C@@H](C)O1)CC1CC1)c1cnn(C)c1 |
CCN(CCNC(=O)[C@H]1[C@@H]2C[C@H]1CN2C(=O)[C@@H]1[C@@H]2CC[C@@H](F)[C@H]21)C(C)C |
CCC(C)(C)C(=O)N1CCC[C@@H](N(C)c2cc(C)nc(S(C)(=O)=O)n2)C1 |
CCc1ccc(CCCC(=O)N2CC[C@@H](C)[C@H](NC(=O)c3ccc(Cl)s3)C2)cc1 |
CN(CC1(C#N)CCC1)C(=O)[C@H](F)C1(O)CN(C(=O)[C@H]2CCCC[C@@H]2O)C1 |
C[C@@H](C(=O)N[C@H](C)C1CCN(C(=O)C=Cc2cccc(F)c2)CC1)N1CCCC1 |
CCCOCCCC(=O)NC[C@H](C)NC(=O)CCC(=O)c1ccc(F)cc1F |
CCN(CCNC(=O)[C@@H]1CC[C@H]1C(=O)OC)C(=O)c1cc(C2CCC2)nn1C |
CO[C@@H]1CCC[C@H]1NC(=O)[C@H](CC1CCOCC1)NC(=O)[C@@H]1CCC[C@@H](C#N)C1 |
CN(C)C[C@@H](NC(=O)[C@H]1CN2CC[C@H]1C2)C(=O)NC1(CF)CCCC1 |
CCC(F)(F)CC(=O)NC[C@H](C)N(C)C(=O)c1nnn([C@H]2CCOC2)c1C |
O=C([C@H]1CCn2nnnc2C1)N1CCC(c2cn3cc(F)ccc3n2)CC1 |
[N-]=[N+]=NCCCCC(=O)N1CCOC[C@H]1CNC(=O)C[C@H]1CCCSC1 |
Cc1cc(N2CCC[C@@H](N3CCN(S(=O)(=O)c4ccsc4Cl)CC3)C2=O)n(C)n1 |
C[C@]1(C(=O)Nc2cccnc2C(F)(F)F)CCN1Cc1ccncc1F |
CN(CCOCCC(=O)NCC(F)=C1CCCCC1)C(=O)c1c(C#N)cnn1C |
C[C@@H](OC1CCCCC1)C(=O)NCC[C@H]1C[C@H](NC(=O)[C@@H]2COCC(C)(C)O2)C1 |
Cc1c(C(=O)N2CC(CNC(=O)c3cc(C)n(C)c(=O)c3)C2)ccc2n[nH]cc12 |
C[C@H](C(=O)Nc1ccc(CO)c(F)c1)N(C(=O)CCCOC(C)(C)C)C1CC1 |
CCC1CCCCC1OCC(=O)NCCNC(=O)CC1=CC=C2SCCCC2=C1 |
Cc1cccc2c(C(=O)NC3CC(N(C)C(=O)c4cnc(N)c(Cl)c4)C3)n[nH]c12 |
CNc1ccc(C(=O)NCCC2CN(C(=O)[C@H]3Cc4ccc(Cl)cc43)C2)cc1F |
CP(C)(=O)c1ccc(C(=O)NC2(CO)CN(C(=O)CSc3ccncc3)C2)nc1 |
CC[C@H](CN(C)C)C(=O)N[C@H](Cc1cc[nH]n1)C(=O)NCc1cncc(C#N)c1 |
Cc1oc2ccccc2c1C(=O)NC[C@]1(C)CCCN(C(=O)C[C@@H](O)C(C)C)C1 |
CC[C@H](C(=O)N1CCC([C@H]2CCN(C(=O)c3cnc[nH]3)C2)CC1)N(CC)CC |
CC1(CC(=O)N[C@@H](CO)CNC(=O)c2cncnc2)CCCCC1 |
CCN(C(=O)CSc1nccn1C)[C@@H](C)CNC(=O)C[C@@H](C)c1ccccc1C |
COc1cc(O)ncc1C(=O)N1CCC[C@H]1C1(O)CN(C(=O)Cn2ccnn2)C1 |
CO[C@H](C1CC1)[C@H](C)NC(=O)C1(F)CN(C(=O)c2ncc(F)cn2)C1 |
Cc1nc(Cl)[nH]c(=NC[C@@H](CNC(=O)CC2(CO)CC2)C(F)(F)F)c1[N+](=O)[O-] |
CCCCC1(C(=O)N[C@@H]2C=CCN(C(=O)c3cn(C(F)F)c(C)n3)C2)CC1 |
O=C(CCCn1ccnc1)N1CCC[C@](F)(C(=O)N[C@@H]2CCCCC[C@@H]2F)C1 |
Cc1ncc2c(n1)CC[C@H](N=c1cc[nH]cc1S(=O)(=O)NCCCF)C2 |
C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC(F)(C1)C2 |
Cc1nc(CC(=O)N2CCC3(CC2)C[C@H](C)N(C(=O)[C@@H](C)CC(F)F)C3)c(C)s1 |
CC1=C(C)C[C@@](C)(C(=O)Nc2cccc(-n3cc(C(=O)O)nn3)c2)CC1 |
Cc1cnsc1C(=O)N1CC(O)([C@H](F)C(=O)NCc2cccc(C#N)c2)C1 |
CCOC(=O)c1coc([C@H](C(=O)NC2CC2)N(C)c2cc(OC)cc(OC)c2)n1 |
C[C@H](OC1CCCCCC1)C(=O)N1CC[C@](C)(CNC(=O)C=Cc2ncco2)C1 |
NC(=O)CSCC(=O)N[C@@H]1C[C@@H]2CN(C(=O)C[C@@H]3CCCC4(CCC4)O3)C[C@H]21 |
CC(C)[C@](C)(CNC(=O)C(=O)C(C)(C)C)NC(=O)[C@]12C[C@H]1CNC2=O |
COC[C@]1(O)CCN(C(=O)[C@@H](C)CNC(=O)CC2(C)CCOCC2)C1 |
C=C(C)CCC(=O)NC[C@@H](C)N(CC)C(=O)CCc1ccc(C)cc1 |
O=C(NC1CC(c2cccnc2)C1)C(=O)N[C@@H]1CCOC2(CCNCC2)C1 |
O=C(c1ccccc1OCCF)N1C[C@H]2[C@H](CNC(=O)C34CC5C[C@H]3[C@H]4C5)[C@H]2C1 |
Cc1cc(C(=O)N2CCC[C@H](NC(=O)C(C#N)=CC3CC3)CC2)cnc1F |
C#CCOC1CN(C(=O)[C@H]2CC[C@H](CNC(=O)[C@]3(CC)CNC(=O)C3)CC2)C1 |
CCCC[C@@H](CC)C(=O)N[C@@H]1CCCCN(C(=O)c2ccccc2F)C1 |
C[C@H](NC(=O)c1cccs1)[C@@H](C)NC(=O)c1cnn(-c2cccnc2)c1 |
Cc1ccc(-c2ocnc2C(=O)NC[C@@H](C)NC(=O)[C@]2(C3CC3)CCCO2)s1 |
CSCC[C@@H](O)C(=O)N[C@H]1CN(C(=O)[C@@H]2CCC[C@H](O)C2)Cc2nccn2C1 |
CC(C)[C@]1(C)C[C@H]1C(=O)NC[C@@H](NC(=O)C=Cc1ncc[nH]1)C12CCC(CC1)C2 |
CNC(=O)C(C)(C)CN=c1[nH]c(=N)[nH]c(=NC2CCC(C)(C)CC2)[nH]1 |
CC(C)Cc1c[nH]c(C(=O)N[C@@]2(C)CCN(C(=O)c3cc(F)c(N)c(F)c3)C2)c1 |
CC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](C)C1CN(C(=O)[C@@]23CC[C@@](C)(C2)OC3)C1 |
CC(C)(CC(=O)NCc1cc(N)cc(Cl)c1)n1cc([C@@H]2CCCC[C@H]2O)nn1 |
CC(C)C[C@H](ONC(=O)[C@H](C)Cn1cccn1)C(=O)NC(C)(C)C(F)(F)F |
CC[C@@H](C)CC(=O)N(C)[C@@H]1CN(C(=O)c2nccc(C(F)F)n2)CC12CC2 |
CC[C@H](CC(=O)NCC1(NC(=O)C(C)=Cc2cccnc2)CCCC1)C(F)F |
CC=CCCC(=O)N1CC[C@@](CNC(=O)[C@H]2CN(C(C)C)CCO2)(OC)C1 |
CCc1cc(C(=O)N2CC[C@H](CNC(=O)c3cn([C@@H]4CCOC4)cn3)C2)n(C)n1 |
CCN(CCCNC(=O)C1(OC)CC(C)(C)C1)C(=O)c1ccc(C)cc1N |
CC(=O)NCCC(=O)NC[C@H]1COC[C@H]1NC(=O)c1ccc(OC(C)C)c(N)c1 |
CC(C)C(=O)N1CCCN(S(=O)(=O)c2cccnc2N2CCC[C@@](C)(F)C2)CC1 |
CCNC(=O)CC(=O)N1CC[C@@]2(CCCCN(C(=O)c3n[nH]c(COC)n3)C2)C1 |
C[C@H]1C[C@]1(C)C(=O)N1CCOC[C@@H](CNC(=O)CCCOC2CCOCC2)C1 |
CC(C)C[C@@H](O)C(=O)N[C@@H](CCN(C)C(=O)c1ncoc1C(F)(F)F)C(C)(C)C |
C=CCCC[C@H](NC(=O)[C@H](C)OC1CCCC1)C(=O)N(C)C1CC(=C)C1 |
CC(C)n1ncc2c1CCC[C@@H]2NC(=O)N1CC[C@H](N(C)CCO)[C@@H]1C |
CON(C)C(=O)C(C)(C)[C@H]1CCCN1C(=O)[C@H]1C[C@H](SC)C1 |
[N-]=[N+]=NC1(C(=O)NCCC[C@H]2CN(C(=O)c3c(F)ccc(F)c3F)CCO2)CC1 |
COCCOc1ccc([C@H](C)N[C@]2(c3nnnn3CC(F)F)CCCSC2)cc1 |
C[C@@H](CCC(=O)NCC[C@@H](C)CCNC(=O)CN=S(C)(C)=O)N(C)C |
O=C(N[C@@H]1CCOC2(CCCC2)C1)c1coc(Cl)c1 |
C[C@H](CC(=O)NCC1(C)CCCC1)C(C)(C)NC(=O)Cc1ccnn1C |
C[C@@H](O)CNC(=O)[C@@H]1CN(C(=O)CCc2cnn(C)c2)CC12CC2 |
COc1cc(OC)nc(N2C[C@H]3C[C@H]2CC[C@@H]3NC(=O)c2cccnc2OC)n1 |
CC(C)CC(=O)N[C@@H]1C=C[C@H](CNC(=O)c2ccc3oc(=O)oc3c2)C1 |
CCCC[C@@H](C)C(=O)N1C[C@H](C(=O)N(C)OC)CC(C)(C)C1 |
Cn1cccc1C(=O)C(=O)NCCCCNC(=O)c1cccn(C2CCC2)c1=O |
CC[C@](C)(O)C(=O)NC[C@@H]1CC2(CO1)CN(C(=O)c1cnc(C)nc1C1CC1)C2 |
C[C@@H]1CC[C@@H](NC(=O)Cc2ccc(Cl)cc2F)CN1C(=O)[C@@H]1C[C@@H]1CF |
CNC(=O)[C@@H]1C=C[C@H](NC(=O)C[C@@H](NC(=O)c2ccnc(O)c2F)C2CC2)C1 |
CN(C)C(=O)C(=O)NC1CC2(C1)C[C@@H]2C(=O)NC(C)(C)C1CCCCC1 |
CC[C@](C)(OC)C(=O)NC/C=C/C(=O)N1CCC[C@]2(CCOC2)C1 |
CCCC(C)=CC(=O)NCc1ccc(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1 |
CC[C@@H]1OCCC[C@@H]1C(=O)NCC1(NC(=O)C=Cc2nc(C)co2)CCC1 |
CC(=O)N1CSC[C@@H]1C(=O)NCC[C@@H](C)NC(=O)c1cnc(O)c(Br)c1 |
CCCC[C@H](C)C(=O)NC[C@@]1(C)CCN(C(=O)Cc2ccc3oc(C)nc3c2)C1 |
CN(C[C@@H]1CCC[C@H](NC(=O)c2csnc2Cl)C1)C(=O)c1ccc2occc2c1 |
COc1ccc2c(c1)N(Cc1cn([C@@H](C)C(=O)N3CCCC3)nn1)C[C@@H](C)O2 |
C[C@H](C(=O)N1C[C@@H](O)[C@H](N(C)C(=O)CCNC(N)=O)C1)c1ccccc1F |
C[C@H]1C[C@H](C(=O)NCC=C2CCN(C(=O)C(C)(C)CCC#N)CC2)CCS1 |
CCC[C@H]1CN(C(=O)C2(C(F)(F)F)CCC2)C[C@H]1NC(=O)CNC(N)=O |
C=CCC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCc3scnc32)CC[C@H]1CO |
COc1cnc[nH]c1=NC[C@H](NC(=O)[C@]1(C)CCC(=O)NC1)C1CC1 |
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