smiles stringlengths 6 131 |
|---|
CC[C@@H](CNC(=O)[C@@H]1CCN(C(=O)C2=CCCCCC2)CCO1)CC(C)C |
CCC[C@H](OC)C(=O)N[C@@H](C)c1nocc1C(=O)NCC12CCC(CC1)O2 |
CO[C@@H]1CCC[C@H]1C(=O)N1CCC(CC(N)=O)(NC(=O)c2ccc(C)o2)CC1 |
CCn1ccnc1C(=O)N1CC=C[C@H]1C(=O)NC[C@H]1CC2(CC2)C(=O)O1 |
CC[C@H](CNC(=O)[C@@H](C)[C@H]1CCC(=O)N1C)N(C)C(=O)c1sccc1Cl |
COc1ccc(C(=O)NC[C@@]23CCC[C@@H](CN2C(=O)[C@H](O)CCSC)C3)c(O)c1 |
CC1=C[C@H](C(=O)N[C@]2(C)CCCN(C(=O)C3[C@H]4CC(=O)C[C@H]34)C2)SC1 |
Cc1cnn2ccc(C(=O)N(C)CCOCCN(C)C(=O)c3coc(Cl)c3)nc12 |
CC(F)(F)C(=O)NC[C@@](C)(F)CNC(=O)[C@@H]1CC(=O)C12CCC2 |
CCOCC(C)(C)C(=O)N1CC(NC(=O)C[C@@H]2Cc3ccccc3NC2=O)C1 |
COC(=O)C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(F)c2)C1)C(=O)OC |
CCc1ccnc(C(=O)N2C[C@@H](NC(=O)[C@@H](O)CSC)[C@H](c3cnn(C)c3)C2)c1 |
CC(C)N1CC(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[C@H]4C=C[C@@H]3C4)C(F)(F)CC2)C1 |
CC1(C)[C@@H](CNC(=O)C[C@H]2CCCN(C(=O)c3cnns3)C2)[C@H]1CO |
CN1C[C@@H]2CN(c3nc(=N)nc(N4Cc5c[nH]c(=N)nc5C4)[nH]3)CCN2C1=O |
O=C(COCC(F)(F)F)N1CCn2cnc(-c3cccc(C(F)(F)F)n3)c2C1 |
CCCC[C@H](C)C(=O)NC1(CCC)CCN(C(=O)[C@@H]2CCCc3nncn32)CC1 |
C[C@](CO)(CNC(=O)CCc1nc[nH]n1)NC(=O)/C=C/c1cc(F)c(F)c(F)c1 |
Cc1ccc(/C=C/C(=O)N2CC[C@@](NC(=O)[C@H](C)C(F)F)(C3CC3)C2)c(C)c1 |
CC(C)(C)C(=O)NCCC(=O)N1CCOC[C@@H]1CCNC(=O)[C@H]1CC2CC1C2 |
C[C@@H]1CN(C(=O)c2cc(C3CC3)cs2)CCN1C(=O)C[C@H]1COC2CC1C2 |
CC(C)(C)CCCC(=O)N1C[C@H]2CCN(C(=O)Cc3sc(O)nc3O)C[C@@H](C2)C1 |
Cc1cc(OCC(=O)N2C[C@H]3C[C@@]3(NC(=O)[C@@H]3CCOC4(CCC4)C3)C2)no1 |
CC[C@@]1(C)C=C(C(=O)N2CCC[C@@H](NC(=O)c3cccnc3OC)CC2)C1 |
C=CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)Cc2ccccc2C(C)C)[C@@H]2C[C@H]12 |
COc1nc(N2CCO[C@@H]3CN(Cc4ccc(CO)cc4)C[C@H]32)nc2[nH]cnc12 |
CCc1cc(C)cc(C(=O)N2CC[C@](O)(CN(C)C(=O)[C@H](C)N3CCC3)C2)c1 |
CCn1ccc(CC(=O)N[C@@H](CCN(C)C(=O)CN(C)C)C(C)C)n1 |
CNC(=O)[C@@H]1CCN(C(=O)C2=NO[C@@H](CNC(=O)[C@@](C)(COC)OC)C2)C1 |
CN1N=C(C(=O)N2C[C@@H](CNC(=O)CCOCC(F)F)CC23CCC3)CCC1=O |
C[C@@H]1CCCC[C@@]1(CNC(=O)c1cccc(O)c1)NC(=O)C[C@@H]1CCCS1(=O)=O |
C#CCCCC(=O)N1C[C@@H]2C(CNC(=O)C[C@H](C)c3ccc(F)cc3)[C@H]2C1 |
CC[C@H](Sc1nc(=N)[nH][nH]1)C(=O)N1C[C@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C)C2 |
CCOC(CNS(=O)(=O)c1ccc(Br)cc1N[C@@H]1CCC[C@H]1C#N)OCC |
CC(C)C[C@H](O)CC(=O)N[C@@]1(C(=O)NCCCC2CCOCC2)CCC[C@@H]1C |
CCC(=O)Nc1cncc(C(=O)N(C)Cc2cn(CCC=C(C)C)nn2)c1 |
CCONC(=O)CCCN(C)C(=O)c1cccc2c1CCC2 |
COC[C@]1(C(=O)NC[C@@](C)(O)CNC(=O)C2(C#N)CCSCC2)CCCCO1 |
C[C@H](CC(=O)N1CCCC[C@H]1CN(C)C(=O)c1ns[nH]c1=O)c1cnn(C)c1 |
CSc1nc(=Nc2csc(-c3ccc(O)c(F)c3F)n2)c(C#N)c[nH]1 |
Cc1cc(Cl)ccc1CC(=O)N1CC[C@H](NC(=O)CC23COCC(C2)C3)[C@@H](F)C1 |
CC[C@H]1C[C@@H]1C(=O)N(CC)CCN(CC)C(=O)c1cc(NC(C)=O)cnc1O |
C[C@H]1CN=C2NC(C(=O)N3CCC(C)(C)[C@H](CNC(=O)CP(C)(C)=O)C3)=NN2C1 |
C=CCOCC(=O)NC[C@H](CC(=O)N1C[C@H]2C[C@@H](C1)[C@H](OC)C2)OC |
COC[C@@H](NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C12CC2)C(F)(F)F |
O=C(NCC12CCN(CC1)CC2)[C@@H]1C[C@]12CCN(C(=O)C1(O)CCOCC1)C2 |
O=C(CN1CCC1)NC[C@H](NC(=O)c1cc2n(n1)CCOC2)C1CCCC1 |
C[C@H](CC(=O)N1CCC[C@H](CCC(=O)N2CC[C@H]3C[C@]32C)C1)C(F)F |
CC[C@H]1CN(C(=O)COC(F)(F)F)CC[C@H]1NC(=O)c1c(F)cccc1[N+](=O)[O-] |
COC(=O)CCC(C)(C)C(=O)NCC(C)(C)CNC(=O)[C@]12CSC[C@H]1C2 |
CN(C(=O)Cc1ccc(F)cc1Cl)[C@H]1CCC[C@@H](NC(=O)CCc2cn[nH]c2)C1 |
CCc1[nH]nc(C(=O)N2C[C@H](OC)C[C@@H]2CNC(=O)C2CCN(OC)CC2)c1Cl |
CCO[C@H](C(=O)NC[C@H](CC)NC(=O)C[C@@H]1Cc2ccccc2O1)[C@H]1CCOC1 |
CCS[C@H](C(=O)N1CC(C2(NC(=O)[C@@H]3C=C[C@H](C(=O)OC)C3)CC2)C1)C(C)C |
CCc1cc(C(=O)N2CCC3(CCCC[C@H]3NC(=O)C3=COCCC3)CC2)on1 |
Cc1ccncc1CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC3(CC3)CO2)C(C)(C)C1 |
O=C(NC1CC(CNc2nc(Cl)nc3sccc23)C1)c1coc(Br)c1 |
Cc1ccoc1[C@@H](N[C@H](C)C1CSC1)c1nnnn1C1CCCCCC1 |
NS(=O)(=O)CCCNC(=O)C[C@H]1CCCN(c2ncc3cc(F)cc(Br)c3n2)C1 |
CN(C(=O)c1cc(F)c(N)cc1F)C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@]1(C)CCOC1 |
CC(C)c1ccc(C(=O)N2CCN(C(=O)CS(C)(=O)=O)C[C@H]2c2cccnc2)o1 |
Cc1nccn1CCCC(=O)N[C@H]1CC[C@H]1NC(=O)C(F)(F)C1(O)CCCC1 |
CC=CC(=O)NCc1nc2c(s1)CCN(C(=O)c1ccc(C(C)(F)F)nc1)C2 |
CO[C@H](CC1CC1)C(=O)N1CC(C[C@@H](F)C(=O)N2CCc3ccsc3C2)C1 |
Cc1nc(C)c(F)c(=N[C@H](C)C2CCN(C(=O)c3ccc[n+]([O-])c3)CC2)[nH]1 |
O=C(NC[C@@H]1CCC2(CC2)CO1)NC[C@H](O)Cc1ccc(Cl)cc1 |
Cc1c(NC[C@H]2CNC(=O)O2)ncnc1N1CCC[C@H](OC(=O)N(C)C)C1 |
C[C@@H](Cn1cc(CNC(=O)[C@@H]2OC3CCC2CC3)nn1)NC(=O)C1=CCCOC1 |
COC(=O)[C@H]1C=C[C@H]1C(=O)NCCCCCN(C)C(=O)[C@@]1(C)CCCN1C |
Cn1cccc1C(=O)C(=O)N[C@@H]1C[C@H]1NC(=O)c1cc(C(F)F)ccc1F |
CCOCC(=O)N(CCO)[C@H]1CCN(C(=O)[C@@H]2CCCO2)C1 |
CC(C)(C)[C@@H](CO)C(=O)N1[C@H](CNC(=O)C(F)(F)c2ccncc2)[C@H]2CC[C@@H]1C2 |
COCCC(C)(C)CC(=O)N1CCO[C@H](CCCNC(=O)c2ccn(C)c2)C1 |
CCSCC(=O)N(C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]3[C@H]2C3(F)F)CC1 |
CCN(CC)C(=O)[C@H]1CSCN1C(=O)c1cccc(C)c1O |
C=C[C@](C)(O)CC(=O)N1CCC[C@H](CC(=O)NC2(CF)CCC2)CC1 |
O=C(NCCOC1CCN(C(=O)[C@]2(CO)CCCO2)CC1)[C@H](F)C[C@@H]1CCOC1 |
CC[C@@H](NC(C)=O)C(=O)NC[C@@H]1CCN1C(=O)c1ccccc1CC(F)(F)F |
Cc1nccc(C(=O)N2CCC[C@]3(CNC(=O)C(N)=O)CCC[C@H]23)c1C |
CCCN1CCCC[C@H]1C(=O)N[C@H](C)CN(CC)C(=O)c1coc(C2CCC2)n1 |
CC(C)S[C@H](C)C(=O)N[C@H]1[C@@H]2CN(C(=O)c3coc4ccc(F)cc34)C[C@@H]21 |
C[C@@H](C(=O)N1CCC[C@H]1CNC(=O)CCc1cn[nH]c1)C1CC1 |
Cc1cc(=O)n(C)nc1C(=O)N1C[C@@H](NC(=O)CCCC2CC2)[C@H](S(C)(=O)=O)C1 |
C=C(C(=O)N1C[C@H](F)C[C@H]1C(=O)N1CC[C@@](C)(O)C1)C(F)(F)F |
O=C(NCCN1CCC[C@H](O)C1)N[C@H]1CC(=O)N(C2CCC2)C1 |
O=C(c1cc2c[nH]cnc-2n1)N1CCN(C(=O)COC[C@H]2CCCO2)[C@@H](CF)C1 |
C#CC[C@@H](NC(=O)C=CCN1CCCC1)C(=O)N[C@H](CO)C1CCC1 |
CCOCC(=O)N1C[C@H](CNC(=O)c2cc(N)ccc2C(F)(F)F)CC1(C)C |
CC(C)CCC(=O)N[C@H]1C[C@@H](CNC(=O)CNc2nccs2)C1 |
Cn1nc(O)cc1C(=O)N1CCCCC2(C1)CN(C(=O)[C@H]1CC1(F)F)C2 |
C[C@@H]1[C@@H](C(=O)N(C)CCC2CCN(C(=O)[C@H]3CC[C@H](C)CC3)CC2)C1(F)F |
CC(C)C[C@H](O)CNC(=O)[C@@H](NC(=O)CC(=O)OC(C)(C)C)C(C)C |
C=C(C)CCC(=O)NC[C@@H](C)NC(=O)[C@@H]1CCN(c2ncccn2)C1 |
CC1CN(CC(=O)N(C)C[C@@H](C)CNC(=O)C2CCN(S(C)(=O)=O)CC2)C1 |
CN(CC1CN(C(=O)c2cnccc2Cl)C1)C(=O)[C@H]1CSc2ccccc21 |
CC(=O)c1cc(C(=O)N2CCC[C@](C)(NC(=O)C[C@H](O)C(C)(C)C)C2)cs1 |
CSc1ccc(C(=O)N2CCC(CN(C)C(=O)c3cc4ncccc4[nH]3)CC2)o1 |
CC=C(CC)C(=O)N[C@@H](CNC(=O)C(=O)C1CCCCC1)C1CCCC1 |
COC(=O)[C@H](Cc1cccc(F)c1)NCC(=O)N[C@H]1CS(=O)(=O)c2ccccc21 |
CCNC(=O)CCCC(=O)N[C@H]1CC[C@@H]1NC(=O)C=Cc1ccc(N(C)C)cc1 |
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