smiles stringlengths 6 131 |
|---|
COc1ccc(-n2cc(CN(C)C(=O)c3c(C)ccn3C)nn2)cc1C(F)(F)F |
CCCCCCCCC[C@H](O)C(=O)N1C[C@@H](CO)C2(CC2)C1 |
CC=CC=CC(=O)NC[C@H]1C[C@@H]1NC(=O)c1oc(=O)c2ccccc2c1C |
Cc1ccc(-c2ccnc(NC(=O)N3CCN(C)C[C@@H](O)C3)n2)cc1 |
CN1CCC[C@H](CCNC(=O)[C@H](CCF)NC(=O)c2ccc(Cl)o2)C1 |
CCO[C@@]1(C(=O)N2C[C@@H]3C[C@H](C2)[C@H](NC(=O)c2ccc(C)nc2O)C3)CCOC1 |
O=C(NC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(F)cn1)c1cc2c[nH]cnc-2n1 |
CC[C@@H](CN(CC)C(=O)[C@@H]1C[C@H]1F)NC(=O)c1cnn(C(C)(C)C)c1C |
CCN(CCNC(=O)[C@@H]1CCC(=O)N1C1CC1)C(=O)C(C)(C)OC(C)=O |
CCC(C)(C)C(=O)N1C[C@H](NC(=O)C#C[C@@]2(C)CCCO2)[C@@H](SC)C1 |
CC[C@H](O)[C@@H](C)C(=O)NCCN(C(=O)c1cc(Cl)cc2nc(C)[nH]c12)C(C)C |
Cc1c[nH]cc1C(=O)N[C@H]1C[C@H](NC(=O)COc2ccc(Br)cc2F)C1 |
O=C(NC[C@@H]1CCN(C(=O)[C@H]2C[C@H]2F)CC1(F)F)c1cccc([N+](=O)[O-])c1 |
C[C@@H]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2coc(S(C)(=O)=O)c2)CCCO1 |
COc1nccc(C(=O)NC[C@H](C)NC(=O)c2cncc(C#N)c2)c1F |
CC=C(F)C(=O)N[C@H]1C[C@H]2C[C@H]1N(C(=O)C(F)(F)c1ncccn1)C2 |
CC(C)c1nc(C(=O)NCC[C@@H](C)NC(=O)c2ccc3nc(O)oc3c2)co1 |
CC(C)n1cc(NC(=O)C(=O)N2CCCNC(=O)C(F)(F)C2)c(Br)n1 |
Cc1nc[nH]c1CC(=O)NC[C@H](NC(=O)CO[C@@H]1CCC[C@H](C)C1)C(C)C |
O=C(N[C@@H]1CN(c2ncnc(O)c2Br)Cc2nccn2C1)c1ccc([N+](=O)[O-])o1 |
Cc1cc([N+](=O)[O-])ccc1[C@@H](NC[C@@]1(C)CCC(=O)N1)c1nnnn1C1(C)CC1 |
C[C@H](CNC(=O)[C@]1(C)CCCO1)C1CCN(C(=O)C(F)=Cc2cccnc2)CC1 |
CCn1ccnc1C(=O)NCCC1CC(NC(=O)c2cc(F)ccc2C)C1 |
O=C([C@H]1C[C@@H]2C[C@@H]2C1)N1CCN(CC2CN(C(=O)[C@@H]3CC[C@H]4C[C@@H]3CO4)C2)CC1 |
CCN=c1[nH]c(C(=O)N2C[C@@H](OC)C[C@H]2CNC(=O)c2cnc(O)s2)cs1 |
CCc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3ccccn3)[C@@H](CC)C2)o1 |
CCOC(C)(C)C(=O)N1C[C@@H](CC)[C@@H](NC(=O)C2(C(N)=O)CCC2)C1 |
Cc1sc2ncnc(N3CCO[C@](C)(C(F)(F)F)CC3)c2c1C |
Cc1cc(F)ncc1-c1cn([C@@H]2CN(C(=O)c3cnc(C(C)C)o3)C[C@H]2O)nn1 |
Cc1c(N)cccc1C(=O)N1CCC(C)(C)[C@H](CNC(=O)c2ccncn2)C1 |
C[C@@H]1C[C@H](C(=O)NCc2cc(O)ns2)CCN1C(=O)C[C@H](O)C1CCCC1 |
CC[C@H]1CN(C(=O)[C@@]23CC[C@@H](F)[C@@H]2CC3)CCN1C(=O)c1ccc(C#N)c(Cl)c1 |
CCO[C@H](CC)C(=O)N1C[C@@H](CNC(=O)[C@@H](NC(N)=O)C(C)C)C[C@H]1C |
C=C[C@@H]1C[C@H]1C(=O)NC(C)(C)[C@H]1CCN(C(=O)c2ccc(CO)c(F)c2)C1 |
CCCC[C@@](C)(F)C(=O)NC[C@@H](C)CN(C)C(=O)c1ccc(NC=O)cc1 |
CCN(C(=O)[C@H](C)Cc1cccc(F)c1)[C@H](C)CNC(=O)C1C2(CC2)C12CC2 |
Cc1cc(C(=O)NC[C@@H](C)CNC(=O)c2cc3ncc(Br)cc3o2)n(C)n1 |
CCC1(NC(=O)c2cc(Cl)c(C)cn2)CCN(C(=O)CCc2cocn2)CC1 |
C[C@H](CCNC(=O)[C@@]1(O)CCSC1)NC(=O)c1cn(C)nc1-c1nccs1 |
Cc1ccnc(C(=O)N[C@@H]2C[C@H]2NC(=O)c2cccn3cc(C)nc23)c1 |
COC[C@]1(CNC(=O)c2cc3ccccn3c2)CCCN1c1ncc(Br)c(C)n1 |
CC[C@H](C#N)C(=O)N(CCCNC(=O)C(C)(C)CN(C)C)C1CC1 |
Cc1ccc([C@@H](CNC(=O)C=Cc2ncco2)NC(=O)c2cccc(F)c2)cc1 |
Cc1[nH]c(C(=O)Nc2ccc(Br)c(Br)c2)c(C)c1C(=O)Nc1nc(Br)cnc1Cl |
COCc1ccoc1C(=O)N[C@@H]1CC[C@H](NC(=O)c2cnnc3ccccc23)C1 |
C=CC(F)(F)C(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)Cc2sc(S)nc2C)C1 |
C[C@@]1(CN2C(=O)CCN(C[C@H]3CC4CC3C4)C2=O)CCCS1 |
Cc1[nH]c2ccc(Br)cc2c1CNC(C)(C)c1cn(C(C)C)nn1 |
C[C@]1(C(=O)Nc2cc(C(F)(F)F)ccc2O)CCCN(C(=O)C2(O)CC2)C1 |
CSCc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)C[C@@H]2O)o1 |
CC1(C#CC(=O)NC[C@H](CO)CNC(=O)[C@H]2CC=Cc3ccccc32)CC1 |
CC(C)CC(C)(C)C(=O)N(C)[C@@H]1CCN(Cc2ncc(Br)s2)C1 |
C[C@]1(CNC(=O)C(=O)Nc2ncc[nH]2)CCN(C(=O)[C@@H]2CCOC2)C1 |
COC(OC)C(=O)N1CC(CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 |
COCc1ccc(C(=O)N2C[C@H](O)C[C@]2(C)C(=O)N(C)CC(=O)NC2CC2)o1 |
C[C@H](C(=O)N1CCCC[C@@H]1CCC(=O)NC1(CCF)CC(O)C1)C1CCCCC1 |
C[C@@H](Cc1cnccn1)NC(=O)CONC(=O)C1(CO)CC(C)(C)C1 |
CCOc1cc(F)c(F)c(-c2ccc(NC(=O)Nc3cc(Cl)ccc3Cl)nc2)c1 |
Cc1ncc2ccc(C(=O)NCC34COC(CNC(=O)c5ccon5)(C3)C4)cn12 |
CN(C)C1(C(=O)N2CC[C@@](O)(CNC(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 |
CCCC1CN(C(=O)CCN(C)C(=O)[C@@](C)(O)C(F)(F)F)C1 |
C[C@H](OCCCNC(=O)N1CCNC(=O)[C@@H]1c1ccccc1)c1ccccc1 |
Cc1csc(CNC(=NCCCOC(C)C)NC[C@H]2CCC[C@@]3(CCOC3)O2)n1 |
CCN(CC)CC(=O)NC[C@H](C)NC(=O)c1cc2c(C)[nH]nc2s1 |
CCc1ncc(C(=O)NCCNC(=O)c2cc(C)c3nc(C)cn3c2)s1 |
C#CC[C@H]1CCCCN1[C@@H](CCCCCCCCC=C)C(=O)NC1CCCCC1 |
CC(=O)N[C@](C)(C(=O)NCCOCCCNC(=O)c1csc(C(C)=O)c1)C(C)C |
CCCCO[C@H](C)C(=O)N[C@@H]1C=CCN(C(=O)c2sc(C)cc2Br)C1 |
Cn1[nH]c(C(=O)N[C@H]2CO[C@H]3CN(C(=O)C4(CO)CC(F)(F)C4)C[C@@H]23)nc1=O |
C[C@@H]1CO[C@H](C(=O)N2CC3(C2)OC2(C)CC3(NC(=O)C=CC(=O)N(C)C)C2)C1 |
CSc1ccccc1CCNC(=O)C(=O)Nc1ccc(Br)cc1C(C)C |
CCC(=O)N[C@H](C)C(=O)NCC1(CCCNC(=O)c2cnc(O)n2C)CCCC1 |
CCOC(=O)[C@H](F)C(=O)N1CCO[C@H](CN(C)C(=O)C2CC3(C2)CC3(F)F)C1 |
C#Cc1ccc(C(=O)N2CC[C@](C)(C(=O)N3CCC(=C)CC3)C2)cc1 |
CC(C)COC(=O)C(C)C1=CC2=CC=CC=C2N=C1O |
COc1c(F)cc(F)cc1C(=O)NC[C@H]1C[C@@H](O)CN1C(=O)[C@H]1C[C@H](C(F)F)C1 |
CC1(C)[C@H]2CN(CC(C)(C)N3CCOCC3)C[C@@H]21 |
COc1cccc(C2(O)CN(C(=O)NCc3cccc4nsnc34)C2)c1 |
Cc1cc(C(=O)N2C[C@@H](NC(=O)c3ccc(=O)n(C)n3)C[C@H]2C)ccc1Cl |
COCc1cc(CNC(=O)[C@@H]2C[C@@H]3CN(C(=O)c4ccoc4C)C[C@@H]3C2)no1 |
C[C@H](CNC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@H]1CC[C@@H]1C(C)(C)C)C(F)F |
COCC(=O)N1CC[C@@H](CO)[C@H](NC(=O)c2cccc(C)n2)C1 |
O=C(Cc1ccccc1)OC[C@@H]1CCC(=O)N1C(=O)CCN1CCOCC1 |
CC[C@H](CN(C)C(=O)c1c(C)ccn1C)NC(=O)C1CCC2(CCC2)CC1 |
CSc1cccc(F)c1C(=O)N1CC[C@@H](N(C)C(=O)[C@H]2CCCn3ccnc32)C1 |
C[C@@H]1SCCC[C@@H]1C(=O)NCC(=O)NCC(=O)Nc1cccc([N+](=O)[O-])c1 |
C#Cc1cn(C)nc1C(=O)N[C@H]1CCN(C(=O)[C@H](CCC)CC(C)C)C1 |
Cc1ccc(Br)cc1C(=O)N1CCCC[C@@H](CNC(=O)[C@](C)(O)C2CC2)C1 |
Cc1cnsc1[C@@H](Nc1cc(Br)c2c(c1)OCO2)c1nnnn1C1CCCCC1 |
CC[C@@H](NC(=O)C1=CCN(C(=O)[C@H]2CN(CC)CCO2)CC1)C(C)C |
COC1(CCNC(=O)c2nn[nH]c2Cl)CN(C(=O)Cc2c(C)noc2C)C1 |
Cn1cncc1[C@H](O)C(=O)N1CC2(C[C@H](NC(=O)C[C@]3(O)CCOC3)CO2)C1 |
O=C(NC[C@@]1(C2CC2)CCN(C(=O)C2=NOCC2)C1)c1ncc(C(F)F)s1 |
C=C[C@@](C)(CC)C(=O)NCCCNC(=O)CCCn1cncn1 |
C[C@H](NC(N)=O)C(=O)N(CCCN(C)C)CCNC(=O)[C@H](C)C1(O)CCC1 |
C=CC[C@H](OC)C(=O)N[C@@H]1CC[C@H](C)N(C(=O)CCCCC(C)(C)OC)C1 |
NC(=O)NC1(C(=O)NC[C@@H]2C[C@@H]3CCC[C@@H]3N2C(=O)C=CCn2cncn2)CC1 |
CON=CC(=O)N1C[C@@H](O)C[C@H](NC(=O)c2cc(Cl)cc(SC)c2)C1 |
C[C@@H](NC(=O)[C@H]1CC12CCSCC2)[C@@H](CO)NC(=O)c1ccc(C2CCC2)nc1 |
CSc1ccc(C=CC(=O)N[C@H](C)[C@@H](C)Oc2ccccc2)s1 |
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