smiles stringlengths 6 131 |
|---|
CC1(C)OCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)c2cn(C(C)(C)C)cn2)CCO1 |
C[C@H]1C(Nc2nc3c(c(=N[C@H]4CCCC[C@@H]4S(C)(=O)=O)[nH]2)CCCC3)[C@@H]1C |
CCN=C(NCCCc1nc2c(s1)CCCC2)NC[C@@H]1CCOC[C@H]1C |
COc1c(C(=O)NCC[C@H]2CN(C(=O)c3[nH]c(C)cc3C)C[C@@H](C)O2)csc1Cl |
O=C(CNC(=O)C1CC1)NC[C@]1(O)CCN(C(=O)CCF)C1 |
COCC=CC(=O)NC[C@@H](c1ccccc1)N(C)C(=O)c1cc2n(n1)CCCN2 |
CC1(CC(=O)N2CC(c3ocnc3CNC(=O)c3cnccc3Cl)C2)CCCC1 |
CCCCC1(C(=O)N2CC(O)(CN(C)C(=O)C[C@@H]3CC3(C)C)C2)CCC1 |
C[C@H]1CN(C(=O)CCc2ccn(C)n2)C[C@@H](C)N(c2nc3ccccc3o2)C1 |
O=C(NCC1(NC(=O)[C@@H]2CCCCS2)CC1)c1cc(Cl)c(F)cc1[N+](=O)[O-] |
CC(=O)NCCCCCC(=O)N1CC[C@@H](c2cn([C@H](C)c3cccnc3)nn2)C1 |
C=C[C@H](NC(=O)[C@@H]1CC12CC(NC(=O)[C@@H](F)C[C@H]1CCOC1)C2)C1CC1 |
CCCS(=O)(=O)CC(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)c2cc(C)sn2)C1 |
O=S(=O)(NC1CN(c2ccccc2)C1)c1cnc(NCC(Cl)(Cl)Cl)c(Cl)c1 |
CSc1cccc(C(=O)N2CCN(C(=O)CCC(F)(F)F)C[C@H]2C(C)C)c1 |
O=C(NC12CCOC(CNC(=O)[C@H]3CCCc4nn[nH]c43)(C1)C2)C1CCC1 |
CSC[C@H](C)C(=O)N1CCCC[C@@H]1[C@@H](C)N=c1ccnc(CO)[nH]1 |
C[C@@H]1C[C@@H]1CCCCNC(=O)c1cccc2nc(CO)[nH]c12 |
C[C@H]1CCC[C@@H](C)CN1C(=O)C1CC(CCNC(=O)CCc2cncs2)C1 |
COCn1ncc(C)c1[C@@H](C(=O)NC[C@H]1CCCO1)N1CCCOCC1(C)C |
CCc1cc(C(=O)N2CCN(C(=O)[C@@H]3CNC(=O)N3C)[C@H](C(F)F)C2)no1 |
CC[C@@]1(C)C=C(C(=O)N(C)C2(CC(=O)N3CCO[C@H](C4(C)CC4)C3)CC2)C1 |
Cc1cc(C(=O)NC[C@H]2C[C@@H]2CNC(=O)c2ccnn2C2CCC2)cs1 |
NC1=CC(C(=O)N2CCC3(CCC3CNC(=O)CC3C=CCC3)CC2)=CC(Cl)=N1 |
CO[C@@H](CO)C(=O)NC[C@@H](NC(=O)CC1(c2ccccc2)CC1)C1CC1 |
Cc1cccc(-n2ccc(=NC[C@H]3CC34CCC4)[nH]2)n1 |
COc1cccc(C(=O)NCC2(NC(=O)CCCC(F)(F)F)CC2)c1OC(C)C |
N#CC[C@@H]1CN(C(=O)c2ccc(Cl)c(Cl)n2)CCN1C(=O)c1c(O)cccc1O |
C#CCn1cnnc1C(=O)N[C@@H](CC(F)F)C(=O)NC[C@@H](OC)C1CC1 |
Cc1cnn(CCC(=O)N[C@H](CC(F)F)C(=O)N[C@@H](C)Cc2nc[nH]n2)c1 |
Cc1cccc(C)c1CN1CCC[C@@H]1CNC(=O)c1cnc(C(F)(F)F)nc1 |
CC12CN(C(=O)C[C@H]3CNC(=O)O3)C(C(=O)N3CC[C@@]4(C=CCO4)C3)(C1)C2 |
CCC(CC)N1C[C@H](C(=O)N2CCC[C@@H]2CNC(=O)[C@@H]2CCO[C@H]2C)CC1=O |
CCCc1nccn1CC(=O)N1CC[C@](C)(NC(=O)c2cccc(O)c2F)C1 |
CO[C@H](CCS(C)(=O)=O)C(=O)NCCCNC(=O)Cc1nc(C2CC2)cs1 |
C[C@H](NC(=O)[C@@H](O)C1CCCCCC1)C1CN(C(=O)C(=O)C=Cc2cccs2)C1 |
Cc1csc([C@H](C(=O)NC2CC2)N(C)C[C@H]2OCCc3ccccc32)c1C |
CSSCC(=O)NC[C@H]1C[C@@]2(CCN(c3ncnc(=N)[nH]3)C2)CO1 |
C[C@@H]1CN(C(=O)c2ccc[nH]2)CCN1C(=O)c1cn(Cc2ccccc2)nn1 |
CC(C)(CO)Cn1nc(-c2ccc(F)c(Cl)c2)nc1COC1CC1 |
CC[C@H](NC(=O)CC[C@@H](NC(=O)C1=NNC(=O)C1)C(C)C)c1ccccc1 |
C#CC[C@]1(O)C[C@@H](C(=O)N2CCCN(C(=O)c3cnc4sc(C)cn34)CC2)C1 |
C[C@H](C(=O)N[C@H]1CO[C@]2(CCN(C(=O)CCC(F)(F)F)C2)C1)n1cccc1 |
C[C@H](Cc1ccncc1)C(=O)N1[C@H]2CC[C@@H]1C[C@@H](N(C)C(=O)[C@@H](CO)N(C)C)C2 |
CC(C)C[C@H](CCO)CNc1nc2ccccc2nc1NCCC(=O)NC(C)C |
CCn1ccc(C(=O)N2C[C@@](C)(CNC(=O)[C@@H]3CC3(F)F)CC2(C)C)cc1=O |
CCOCCN(C)[C@@H](C(=O)NC1(C)CC1)c1cnn(-c2cccc(C)c2)c1 |
CCc1ccc(C(=O)N[C@H]2[C@@H](C(=O)N[C@@H](C)CS(C)(=O)=O)C2(C)C)s1 |
CO[C@@H](F)C(=O)N(C)[C@H](C)CNC(=O)CC[C@H]1CCCO1 |
CC1=C[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2ccccc2[S@@](C)=O)CC12CCC2 |
CCN(CC(=O)N[C@H](C)[C@@H](NC(=O)CN1CCCC1=O)C1CCCCC1)C1CC1 |
Cc1nccc(C(=O)N2C[C@@H](NC(=O)[C@@H](O)CC(C)(C)C)C[C@H]2CO)c1N |
CCC12COC(C(=O)N(C)CCN3CCN(C(=O)C[C@@H]4CC[C@@H](C)C4)CC3)(C1)C2 |
CCC(CC)CC(=O)N[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H]1F |
C[C@H](NS(C)(=O)=O)C(=O)N(C)CC1CN(C(=O)c2cncc(C(=O)N(C)C)c2)C1 |
O=C(c1cc(Br)ccn1)N1CCCC[C@H]1CNC(=O)[C@@]12CC=C[C@@H](C1)OC2 |
CC(C)(O)CC(=O)NC[C@@]1(C)CCCN1C(=O)Cc1cc(O)nc(O)n1 |
Cc1cc(CNC(=NCCC(C)C)NC[C@H]2OCCc3ccccc32)co1 |
C[C@H](Cc1cc(F)c(F)cc1F)NCc1cc(I)cc([N+](=O)[O-])c1 |
CC[C@@]1(C)C=C(C(=O)N[C@@H]2COC[C@@H]2NC(=O)Cc2ccn(C(C)C)n2)C1 |
C=C[C@H](O)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2sc(CCC)nc2C)C1 |
CCCOc1ccc(F)c(-c2nc3c(s2)C[C@@H](C(=O)NCCCCO)CC3)c1F |
CN(C(=O)Cc1cc(Cl)cs1)[C@@H]1CCCN(C(=O)CC2=CCOCC2)CC1 |
CCOC(=O)N(C)CC(=O)N[C@H](C)CNC(=O)c1cc(C(C)C)n2ncnc2n1 |
CC(=O)N[C@@H](C)C(=O)N1CCOC[C@H](C(=O)N2CC(c3ccncc3)C2)C1 |
CC[C@H](C)CC(=O)C(=O)NCCOCCOCc1cn(CCN(C)C)nn1 |
Cc1c(Cl)sc(Cl)c1C(=O)N1CC[C@](C)(NC(=O)c2ccc(=N)[nH]c2)C1 |
C=C[C@H]1C[C@@]1(CO)CNC(=O)C1(CNC(=O)c2ccncc2OC)CC(C)(C)C1 |
C[C@@H]1C[C@@H](C(=O)NNc2cccc3ccncc23)Cc2cn(C)nc21 |
C=C[C@@](C)(CC)C(=O)NCc1ncoc1CCNC(=O)c1cncc(C#N)c1 |
CC[C@](C)(O)C(=O)N1C[C@H](C(=O)NCc2csnc2C)[C@@H](OC)C1 |
C[C@@H]1O[C@H]2CC[C@@]1(C(=O)N1CCO[C@H](C(=O)NCCCCC(C)(F)F)C1)C2 |
COCCOCC(=O)N1C[C@H]2C[C@H](NC(=O)c3cc(C(C)(C)C)on3)C[C@H]2C1 |
Cc1ccc([C@H](C)C(=O)NC[C@]2(C)CCCN(CC(=O)N(C)C)C2)s1 |
C[C@H](NC(=O)[C@H]1CC[C@@H](Nc2cc(N(C)C)ncn2)C1)c1ccc(F)c(F)c1 |
COCCO[C@H](C)C(=O)N[C@H]1COCC[C@H]1NC(=O)Cc1ccc2nn[nH]c2c1 |
CCCC[C@@H](C(=O)N(C)[C@@H](C)CNC(=O)CCCc1ccc(N)cc1)C(C)C |
Cn1cccc(C(=O)N2CC=C(CCNC(=O)[C@@]3(C(F)F)CCCO3)CC2)c1=O |
CCS[C@@H](C)C(=O)NC[C@@H](NC(=O)c1ccc2cncn2c1C)c1ccccc1 |
C=CC1(CC(=O)NC[C@@H]2CCCCCN2C(=O)[C@@H]2CS(=O)(=O)CC23CC3)CCC1 |
C[C@@H](CCNC(=O)c1ccc(F)c(Cl)c1F)CCNC(=O)[C@@H]1C[C@H]2C=C[C@@H]1C2 |
O=C(CNC(=O)CNc1cccnc1)NCC(=O)NCC12CC(CO)(CO1)C2 |
O=C(CC(F)(F)Cl)NC[C@H]1C[C@@H]1CNC(=O)c1cccc(C(F)F)c1 |
CCc1cccc(C(=O)N(C)C[C@H]2CCC[C@H]2NC(=O)[C@@H](C)CC)c1 |
CSCCC(=O)N1[C@H]2CCC[C@H]1CC(NC(=O)c1cnccc1C(F)(F)F)C2 |
Cc1cccc(C(=O)N(C)[C@H]2[C@@H]3CN(C(=O)c4c[nH]nc4C(F)(F)F)C[C@@H]32)c1Cl |
CC1(C(=O)N[C@H]2CCCC[C@@]2(O)C(=O)O)CCCCCCC1 |
CC(C)C[C@](C)(O)C(=O)NCc1ccc(C(=O)N[C@@H]2CCC[C@H](F)C2)cn1 |
Cc1cccc(C(=O)N2C[C@@H](NC(=O)c3nccc4ccsc34)C(C)(C)C2)c1 |
CC1(C(=O)NC[C@@H]2CC[C@H](NC(=O)[C@H]3CCOc4ccccc43)C2)CC=CC1 |
O=C(Cc1cc(O)nnc1O)NCC1=NO[C@H]2CN(C(=O)CCC(F)F)C[C@H]12 |
C[C@@H](CNC(=O)C(C)(C)n1cc(Cl)cn1)NC(=O)c1cnc(C(N)=O)s1 |
CC=C=CCCNS(=O)(=O)c1cc(C)cnc1NC[C@@H]1C[C@@H](O)C12CCC2 |
C#Cc1cc(F)c(C(=O)N[C@H]2CC[C@H]2CNC(=O)CS(C)(=O)=O)cc1F |
CN(C[C@@H](O)COc1cnc(F)cc1Cl)[C@@H]1COC[C@@H]1Oc1cnn(C)c1 |
O=C(CN(C(=O)c1ccn2ccnc2c1)C1CCC1)NCCc1cn[nH]c1 |
CCOc1cnc(C(=O)N2C[C@@H](O)[C@@H](CNC(=O)CN(C)S(C)(=O)=O)C2)c(Cl)c1 |
CCOC(=O)C(C)(C)CC(=O)NCCCCCNC(=O)c1cccc(F)c1F |
CCSCC(=O)N1CCCC2(CC(NC(=O)c3c(-c4cccs4)noc3C)C2)C1 |
C[C@H]1CN(c2ccccc2CNc2ccc(CCO)nc2)CCO1 |
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