smiles stringlengths 6 131 |
|---|
Cc1nc(CNC(=O)c2cccnc2CNC(=O)[C@H]2C[C@@H]3CCC[C@@H]3C2)[nH]c1C |
CSc1c(C(=O)N[C@@H](C)[C@@H](C)NC(=O)Cc2cnoc2)cnn1C |
COc1cccc([C@H](C)N2Cc3cccnc3N3CCC[C@@H]3C2)c1F |
O=C(C[C@H]1CCCN1C(=O)[C@H]1CCCS1)NCCN1CCCCCC1 |
CC[C@@H](NC(C)=O)C(=O)NCC[C@@H](CNC(=O)Cc1cccc2[nH]ncc12)OC |
Cc1nc([C@H]2CCCCN2C(=O)C2CC(C)(C)SC(C)(C)C2)sc1C |
CCN(C[C@H](C)NC(=O)c1ccc(I)cc1O)C(=O)[C@@H]1C[C@H]1C |
Cc1nnc(C(=O)N2CCO[C@@H](CCNC(=O)C3(C4(O)CCOCC4)CC3)C2)s1 |
COc1ncc(C(=O)N2C[C@H]3[C@@H](NC(=O)[C@H]([C@H](C)O)N(C)C)CO[C@H]3C2)cn1 |
CCC[C@@H](C(=O)NCC1(O)CN(C(=O)c2cncc3nnn(C)c23)C1)C(=O)OC |
COc1ccc(Br)cc1CN=c1[nH]c(=NCC[C@H](C)CO)[nH]c2cc[nH]c12 |
CN1CCC[C@H]1/C=C/C(=O)N1CCN(C(=O)c2coc(C(F)F)c2)C[C@H](O)C1 |
CSC=CC(=O)N1CCC(CO)(CNC(=O)CCc2cnc(O)[nH]2)CC1 |
COc1cnc(C(=O)N[C@@](C)(CNC(=O)C[C@@H]2[C@@H](C)C2(F)F)C(C)C)cn1 |
CC(CC1CN(C(=O)CO)C1)NC(=O)CC1CCN(C)C1=O |
C[C@@H](O)CC(=O)N[C@@]1(C#N)CCN(C(=O)CCCCCCCCCCCBr)C1 |
CCc1nc(C(=O)N[C@H](C(=O)N[C@H](CC)c2ccccc2)[C@@H](C)OC)c(C)o1 |
CC(C)(C)OC(=O)N1CC[C@@](C(=O)NC[C@@H](F)CO)(n2cc(C3(C)CC3)nn2)C1 |
CN1CC=CC[C@@H]1CC(=O)NCCc1n[nH]cc1C(=O)N1CCC(F)(F)[C@H](O)C1 |
COc1ccc2[nH]c(C(=O)N3CC(NC(=O)CCc4cscn4)C3)cc2n1 |
Cc1cc(C(=O)N2CC(C)(NC(=O)c3cncc(Cl)c3Cl)C2)nc(O)n1 |
CC1=C(C(=O)N[C@@H]2CC[C@H](C)N(C(=O)C34CCC(F)(CC3)CC4)C2)COCC1 |
Cc1cc(C)cc(CC(=O)NCC2(NC(=O)c3ccnc(C(N)=O)c3)CC2)c1 |
O=C(NCC1CN(C(=O)[C@H]2Cc3ccc(F)cc3C2)C1)c1cc(C(F)F)ccn1 |
O=C(CC[C@@H]1CCCN(C(=O)C(=O)NCC2CC2)C1)NC[C@H](CO)C1CCC1 |
O=C(N[C@H]1[C@@H]2CN(C(=O)[C@@]3(CO)CCCO3)C[C@@H]21)c1cc(Cl)ccc1F |
CCCCC1(C(=O)N2C[C@@H](NC(=O)COCc3nc[nH]n3)[C@H](C)C2)CC1 |
COC[C@@](C)(CO)CN[C@H](c1cc(Cl)cnc1OC)c1nnnn1C1COC1 |
COCCNC(=O)[C@H](/C(C)=C/c1ccccc1)N1C[C@H](OC)CC12CCC2 |
Cc1ccncc1C(=O)NC1(C)CN(C(=O)[C@]2(C)CC(C(C)C)=NO2)C1 |
Cc1nn(C)c(C(=O)N2C[C@H]3C[C@H](O)[C@@H]2[C@@H]3NC(=O)C[C@@H]2CCC(=O)NC2)c1Cl |
CC[C@H](CC(=O)N1C[C@H](NC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)C(C)(C)C1)C1CC1 |
CCc1ccc(C(=O)NCCC2(O)CN(C(=O)[C@@H](O)[C@H](C)OC)C2)[nH]1 |
CSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)NC(=O)Cc1cccs1 |
O=C(NCc1ccc([N+](=O)[O-])c(F)c1)C(=O)N1CC[C@@H]2CNCC[C@H]2C1 |
COc1c[nH]c(C(=O)NC[C@H](C)N2CCN(C(=O)[C@]3(C)CC3(F)F)CC2)cc1=O |
Cc1snnc1C(=O)N1CC2(CC2)C[C@H]1CNC(=O)c1cnn(C(C)C)c1F |
CC[C@@H](C)[C@H](C)C(=O)N[C@H]1CCCCN(c2ncc([N+](=O)[O-])c(C)n2)C1 |
CN(C(=O)[C@@H](O)CCNC(=O)C1CCC(C)(O)CC1)[C@H]1C[C@H](O)C1(C)C |
Cc1n[nH]cc1CC(=O)NC[C@@H](CC1CCCC1)C(=O)N1CCCCC12CC2 |
CO[C@@H](C(=O)N(C)C[C@@H](C)NC(=O)Cc1ccsc1C)c1cnn(C)c1 |
Cc1cc(C#N)cnc1NC(=O)C[C@H]1CCN(C(=O)c2ccc3sccc3c2)C1 |
CCCC1(C(=O)N[C@H](CC)CCC(=O)N2CC[C@@H](C)C2)CCC1 |
Cc1cc(C)n([C@H](C)CC(=O)N2C[C@@H]3CC[C@]3(NC(=O)CC3CSC3)C2)n1 |
CC[C@H](O)C(F)(F)C(=O)N1CCC(CNC(=O)c2csc3ccncc23)CC1 |
C[C@@H]1CN(C(=O)[C@H]2CC[C@@]3(CC2)CNC(=O)C3)CC[C@@H]1N=c1[nH]nc(C(F)F)s1 |
CC1(C)C[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1cc(-c2ccc3c(c2)OCO3)on1 |
CCOc1ccccc1C(=O)NC1CC(CCNC(=O)C2(C)CCCCC2)C1 |
C=CCC(=O)N(C)C[C@@]1(O)CCCN(C(=O)C2(CC)CCCC2)C1 |
CCCC[C@H](O)CC(=O)N1CCN(C(=O)c2ncc3[nH]ncc3n2)[C@H](CCO)C1 |
C[C@]1(C(=O)NC[C@H]2CC[C@H](CNC(=O)[C@]3(F)CCCOC3)CC2)CC=CCO1 |
CC[C@@H](CCC(=O)NC1(C(N)=O)CCOCC1)NC(=O)c1c[nH]c(=NC)o1 |
NC(=O)[C@H]1CCCN(C(=O)[C@H](CCC2CC2)NC(=O)C=CC2CC2)C1 |
CC(C)=CCC(=O)N1CCC12CN(C(=O)[C@H]1C[C@@H]1C)C2 |
O=C(CN1CCOCC1)N1CCC[C@H](N(CC2CC2)C(=O)[C@@H]2CCCS2(=O)=O)C1 |
CCCNC(=O)/C=C/C1CCN(C(=O)c2ncn(CC)n2)CC1 |
CC[C@@H](CNC(=O)C=Cc1cccc(C)c1)NC(=O)[C@@H](C)NC(=O)c1cccs1 |
COCCc1cc(C(=O)NCC[C@H](C)NC(=O)c2cc(-c3ccoc3)on2)no1 |
CCOC=CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCSC2)CC1(C)C |
Cc1cnn(C)c1C(=O)N1CC[C@@H](NC(=O)C(=O)N2CC[C@H](C)C2)C12CC2 |
C[C@@H](C(=O)NC/C=C/CNC(=O)CC1C2CC3CC(C2)CC1C3)n1ccnn1 |
COC(=O)c1ccc(C(=O)N2CCC[C@@H]2[C@H](C)NC(=O)c2cnc(Cl)s2)cc1F |
Cc1cccnc1CC(=O)NC(C)(C)CCC(=O)N1CC(C)(CF)C1 |
Cc1ccc(O[C@H](C)C(=O)N[C@H]2CCO[C@H](CNC(=O)c3[nH]nnc3C)C2)cc1 |
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(C(C)=O)ccc1Br |
Cc1cc(C)c(C(=O)N(CCCNC(=O)c2cc(C3CC3)on2)C(C)C)cn1 |
C[C@@H](O)CN(CCNC(=O)c1ccns1)C(=O)CSS(C)(=O)=O |
Cc1cc(C(=O)N2C[C@@H](NC(=O)CNCP(=O)(O)O)C3(COC3)C2)ccn1 |
CC(C)N1CCO[C@H](C(=O)NCC2[C@H]3CN(C(=O)C(C)(C)CC#N)C[C@H]23)C1 |
CCOc1ccc(N2CCN(C(=O)C#Cc3ccc(OC)cc3)CC2)cc1 |
Cc1cnc(C(=O)NC2(C)CC(NC(=O)c3ccn(C4CC4)n3)C2)cn1 |
CC(=O)NCCCCCC(=O)NC1CN(C(=O)c2c[nH]nc2OCC(F)F)C1 |
CO[C@H]1COCC[C@@H]1CN1CCC(=O)N(CCOc2ccccc2)C1=O |
CC#CCCC(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)CNC(=O)[C@H](C)CC)C1 |
Cc1cc(C(=O)NC[C@@H]2CC[C@H]2NC(=O)[C@H](F)C2CCOCC2)ns1 |
C=Cn1nccc1C(=O)N(C)C1CN(C(=O)C(C)(C)S(=O)(=O)C2CC2)C1 |
C[C@@H]1CN(C)C[C@@H]1C(=O)N1CC(C)(NC(=O)C#CC(C)(C)C)C1 |
O=C(C[C@H]1CC2CCC1CC2)N1CC[C@@]2(CCCN(C(=O)C3=COCC3)C2)C1 |
C[C@H](CN(C)C(=O)c1cc[nH]n1)NC(=O)c1ccc2ccc(O)nc2n1 |
Cc1cc(N2CC(CO)(NC(=O)[C@H]3CSc4ccccc43)C2)c(C#N)cn1 |
NS(=O)(=O)c1cccc(CN2CCO[C@@H](Cc3ccccc3)C2)c1 |
COCC1(CNC(=O)c2conc2C(C)(C)C)CN(C(=O)C2=NOC(C)(C)C2)C1 |
NC(=O)C1(CNC(=O)CCCC(F)(F)F)CN(C(=O)Cc2ccccc2F)C1 |
Cc1ccc(C(=O)N2[C@H](C(=O)NCCCC(C)(C)O)C[C@@H]3C[C@@H]32)c(C)c1 |
CCN1CCOC[C@@H]1C(=O)N[C@H]1COC[C@H]1NC(=O)C(=O)NCC(F)F |
COc1cc(O)c(CN2CC[C@H]2C(=O)N[C@H](CO)Cc2ccc(O)cc2)cc1Br |
Cc1nc(C(=O)N(C)CCN(C)C(=O)c2oc(C(C)C)nc2C)c(C)o1 |
CC(C)c1ccc(Cl)cc1C(=O)N1C[C@@H](O)C[C@@H]1Cn1cc(-c2cscn2)nn1 |
C[C@H](NC(N)=O)C(=O)N(CCCNC(=O)c1cnc(Cl)[nH]1)CC1CCCC1 |
CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@]21C(=O)Nc1cc(Cl)cc(C#N)c1 |
CCC[C@H]1CN(C(=O)CCn2ccnc2C)CCN1C(=O)[C@H](C)NC(C)=O |
CCN(CC(C)(C)CNC(=O)Cc1ccccc1C1CC1)C(=O)[C@H]1CO[C@@H](C)C1 |
CNC(=O)[C@@H](C)CNC1(c2nnnn2CCOC)CC(C(N)=O)C1 |
CCN(CCCNC(=O)[C@@H]1C[C@H]2C[C@@H]1C[C@H]2O)C(=O)c1ccn2nnnc2c1 |
CCCSc1ccc(C(=O)N[C@@H]2COC[C@@H]2NC(=O)[C@@H](C)c2ccc(C)s2)cc1 |
C[C@H](CCO)C(=O)N1C[C@H]2C[C@@H](NC(=O)CN(C)CC(C)(C)C)C[C@H]1C2 |
C[C@@H]1C[C@H](C(=O)NCC(C)(C)C(C)(C)C)CCN1C(=O)C[C@H]1CCOC1(C)C |
Cc1ncncc1C(=O)N[C@@H](C)[C@H]1CCCN(C(=O)c2cc(O)cc(Cl)c2)C1 |
O=C(N[C@@H]1C[C@H](O)CN(C(=O)C2(C(F)(F)F)CC=CC2)C1)C1=CCCSC1 |
Cc1cc(C(=O)NCC2(F)CCN(C(=O)[C@H](O)CC(F)F)CC2)cc2ccsc12 |
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