smiles stringlengths 6 131 |
|---|
CC(=CC(=O)N1CCC(C(=O)N2CC[S@@](=O)[C@@H](C)C2)=C(F)C1)C(C)C |
O=C(CC1=CCOCC1)N[C@H]1CCN(C(=O)c2cc(Br)cn3ncnc23)C1 |
CCc1ccc(O)c(NC(=O)[C@@H](CN(C)C)NC(=O)c2cccc3c2CCC3)c1 |
C[C@@H](Nc1nccc(N2[C@H]3CCC[C@H]2c2c[nH]c(=N)nc2C3)n1)c1nccn1C |
C[C@H]1C[C@@H](NC(=O)C2(n3nccn3)CC2)CN(C(=O)CCCn2ccnn2)C1 |
Cc1cc([C@@H](NC2(C(N)=O)CC2)c2nnnn2C2COC2)c(C)o1 |
O=C([C@H]1CC=CCO1)N1CCC[C@@H](CNC(=O)C(F)(F)c2cnc(O)nc2O)C1 |
C=CCn1nnnc1[C@H](C[C@@H]1CC1(Cl)Cl)NCc1cn(C2CCCCC2)nn1 |
C=C[C@@H](O)C(=O)N1CCN(C)C[C@@H]1C(=O)Nc1ccc(CCO)cc1 |
Cc1ccc([C@@H](NC(=O)c2ccc3c(c2C)NCCO3)[C@H](O)C2CC2)cc1F |
O=C(C=CCO)NC[C@@]12CN(C(=O)C(C3CCC3)C3CCC3)C[C@@H]1CCO2 |
CCCCC[C@H](O)CC(=O)N1CCC[C@H](NC(=O)c2c[nH]c(=NC)s2)C1 |
CC[C@](C)(CNC(=O)CC1CC(C)(C)C1)NC(=O)CNc1ccccc1Cl |
CC(F)(F)c1ccc(C(=O)N2C[C@H](O)C[C@@H]2CNC(=O)c2ccc[n+]([O-])c2)nc1 |
Cc1cncc(C)c1C(=O)NC[C@]1(C)CN(C(=O)c2cncc(O)c2)C(C)(C)C1 |
Cc1ccc2c(c1)CC[C@H]2NCC1(C(F)(F)F)CCCCCC1 |
CCN(Cc1ccc(C(=O)N2CC(CNC(=O)[C@@H]3CCC[C@H]3O)C2)cc1)C(C)C |
COC(=O)[C@@H](C)C(=O)N[C@H]1C[C@H](CCNC(=O)CCc2nnc(C3CC3)o2)C1 |
CC1(C)OCc2c1n[nH]c2C(=O)N1CC[C@H]2CCCN(C(=O)c3cn[nH]c3)[C@@H]2C1 |
C[C@@H]1CC[C@@H](CC(=O)N[C@H]2CC[C@H](NC(=O)C3=CC4=C(C=CN=C4Cl)O3)C2)OC1 |
CN(C)CCSCC(=O)NCC1=NO[C@H]2CN(C(=O)c3cc(CO)on3)C[C@H]12 |
CC1=NO[C@H](C(=O)NC[C@@H]2CN(C(=O)[C@H]3CC34CCSCC4)CC[C@H]2C)C1 |
CN(C[C@@H](O)CN(C)C(=O)C1(C)COC1)C(=O)[C@@H](O)P(C)(C)=O |
CN(C[C@@](C)(O)C1CC1)C(=O)C1(CNC(=O)CSCCC#N)CC1 |
CN(C[C@H]1CN(C(=O)[C@H](F)C2(O)CCCC2)CCO1)C(=O)[C@@H]1CCC(=O)N1 |
CC1CCC(C(=O)NCC2(O)CCN(C(=O)[C@H]3CCC[C@H]3O)CC2)CC1 |
CC(C)(CCCNC(=O)CC1C[C@@H]2C[C@H]2C1)NC(=O)C#CC1CCCC1 |
CC[C@@H]1C[C@H](C(=O)N2CCO[C@@H](C3(C)CC3)C2)CCN1C(=O)CC(C)(C)OC |
CN(C)[C@@]1(C(=O)N[C@H](CNC(=O)c2cnco2)C2CCC2)CCCSC1 |
CCC[C@H](CC(C)C)C(=O)N1C[C@@H](CNC(=O)C=Cc2cn[nH]c2)C2(CC2)C1 |
CCCCCC[C@@](C)(CC)C(=O)N1C[C@H]2CN(C(=O)Cc3cnoc3)C[C@@]2(C)C1 |
CCCCOCC(=O)N1CC2(CC(NC(=O)c3ccc4ncccc4c3F)C2)C1 |
COCCCN(CCO)C(=O)CC1CCN(C(=O)C[C@H]2CNC(=O)O2)CC1 |
CC(=CC(=O)N1CCC[C@@H](n2cnc3c2CCN(C(=O)CNC=O)C3)C1)C(F)F |
CC(C)CSCC(=O)NC[C@H](NC(=O)c1cc(C2CCCC2)n(C)n1)C1CC1 |
Cc1ncc(CC(=O)N2CC[C@]3(NC(=O)COC(F)F)C[C@@H]3C2)s1 |
CC1(C)CC2(CC(c3nc(-c4ccnc(Cl)c4)nn3CCOCC(F)(F)F)C2)C1 |
Cc1cc(F)ccc1CNC(=NCCO)NCC1CCC1 |
CC[C@H](CC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)C3(CN(C)C)CC3)CC[C@H]2C1)OC |
C[C@@H]1CN(C(=O)[C@@H]2CCCC(C)(C)CC2)CC[C@@H]1NC(=O)C[C@H]1C=CS(=O)(=O)C1 |
CC1(C)CC[C@@H](C(=O)NC[C@H]2CN(C(=O)c3sccc3C#N)CCO2)CO1 |
CO[C@@H](C)C(=O)N1CC(CN2CCN(C(=O)CCc3ccc(C)c(C)c3)CC2)C1 |
Cc1cccc(Cl)c1S(=O)(=O)N1CC[C@](O)(C(=O)N2CCC3(CC2)CC3)C1 |
C#C[C@@H](CCC)NC(=O)[C@H]1CC[C@@H](C)N(C(=O)[C@H]2C[C@H](N=[N+]=[N-])C2)C1 |
CCN(CCCNC(=O)[C@@H]1CCCN1c1ccccc1)C(=O)[C@]1(C#N)CCCO1 |
COc1ccc(C#N)cc1CN1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)C1(C(F)(F)F)CCC1 |
CN1CC(CCN(C)C(=O)[C@@H](NC(=O)[C@@H]2CC2(Cl)Cl)C2(C)CC2)C1 |
O=C(NCC1(NC(=O)[C@@H]2CCc3ncccc3C2)CC1)c1ccc(O)c(CO)c1 |
CN=C(NCc1ccc(C(=O)NC)cc1)N1C[C@H](NC(=O)NC(C)C)[C@H](OC)C1 |
CC1(CO)CN(C(=O)[C@@H](Cc2ccoc2)NC(=O)C2CC3(CSC3)C2)C1 |
CC[C@@H]1CNC(=O)CN1[C@H](C(=O)Nc1ccccc1)c1cc(F)c(Br)cc1OC |
CC(C)Cc1c[nH]c(C(=O)N2CC(n3cc(CNC(=O)C4=NOCC4)nn3)C2)c1 |
CC(C)C[C@@H](CNC(=O)c1cccc(OC(F)(F)F)c1F)NC(=O)[C@H]1CCO1 |
C#CCN(CC(F)F)C(=O)C[C@H]1[C@H]2CCC[C@H]2N1C(=O)CNC=O |
CC[C@H](C(=O)N1CCC[C@@H](NC(=O)[C@@]2(C)CCC(=O)C2)CC1)N(CC)CC |
O=C(CNC(=O)c1cccs1)NCCC1CN(C(=O)[C@H](F)CC2CC2)C1 |
Cc1n[nH]c(C)c1CC(=O)N1CCC(F)(CNC(=O)c2nnn(C)c2N)CC1 |
CN(CC(=O)NC[C@H]1CC2(CO1)CN(C(=O)[C@H]1CCS(=O)(=O)C1)C2)S(N)(=O)=O |
C[C@H](CCN(C)C(=O)[C@@]1(C)COCCO1)NC(=O)C1=COc2ccccc2O1 |
C[C@](CO)(CNC(=O)[C@@H]1C[C@H]1CF)NC(=O)c1ccc2c(c1)NC(=O)C2=O |
C=CCOCC(=O)N1CC[C@]2(CCN(C(=O)CN=S(C)(C)=O)C2)C1 |
Cc1nc[nH]c(=NCCc2ccc(C(=O)N3CC[C@@](C)(CO)[C@H](O)C3)cc2)c1Br |
Cc1ccc(C(=O)N2CCC[C@@]23CCCN(C(=O)c2nccc(Br)c2C)C3)o1 |
C[C@@H](O)CN(CCNC(=O)c1cn(C)nn1)C(=O)C(=O)NCC1CC1 |
C[C@@H]1CO[C@H](C(=O)NC(C)(C)CC(=O)NCc2cn[nH]c2)C1 |
O=C(O)C[C@@H](NC(=O)c1cc2cc(Br)cnc2[nH]1)c1ccccc1Cl |
CCc1cnc(CC(=O)N2CCC[C@@](O)(CNC(=O)Cc3cnns3)CC2)[nH]1 |
Cc1cccc(C(=O)NC[C@@H]2CCC[C@@H](NC(=O)c3cncnc3C)C2)n1 |
C[C@@H](C(=O)N1CCOC[C@H]1CN(C)C(=O)CSc1nncn1C)n1cnnn1 |
Cc1nnn(NC(=O)[C@H]2CN(C(=O)CCn3ccnc3)CC23CC3)c1C |
Cc1nc(NCC2CN(C3CCOCC3)C2)cc(N[C@H]2CC(=O)N(C)C2)n1 |
NS(=O)(=O)[C@@H]1CCN(c2ccc(S(=O)(=O)NCc3c(F)cccc3F)cc2Br)C1 |
CN1CCCN(C(=O)COC2CN(C(=O)CCCC3CC3)C2)CC1 |
Cc1ccc([C@@H](C)NC(=O)C(C)(C)NC(=O)CNc2cccnc2)nc1 |
C=C(CCNC(=O)c1cc(C#N)c[nH]1)CNC(=O)C=C(C)CCc1ccccc1 |
CC(C)n1cnc(C(=O)N2C[C@H](NC(=O)c3n[nH]cc3[N+](=O)[O-])C(C)(C)C2)c1 |
COC(=O)[C@]1(C(=O)N[C@H]2C[C@](F)(CNC(=O)c3ncc(C)cc3F)C2)C[C@@H]1C |
C#C[C@]1(NC(=O)[C@@H](NC(=O)[C@@H](N=[N+]=[N-])C(C)C)C2CC2)CCOC1 |
Cc1cc(C)cc(CN2CC[C@@]3(CCN(C(=O)Cc4ccc(Br)cc4F)C3)C2)c1 |
COCCOc1ccc(S(=O)(=O)NNC(=O)c2ccc(C)cc2C)cc1C(=O)O |
CCC1([C@H](Nc2cc3n(n2)C[C@@H](O)CO3)c2nnnn2CCOC)CCOCC1 |
COCCSCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCOC3(CCC3)C2)CC[C@H]1O |
CCC[C@H](NC(=O)[C@@H]1COCC[C@@H]1C)[C@H](O)C(=O)N1CCCCCCCC1 |
CC[C@H](CNC(=O)CCCn1cc(CCN2CCOC2=O)nn1)OC |
CCN(CCNC(=O)c1csc(Cl)c1)C(=O)c1sc([C@@H]2CCCOC2)nc1C |
O=C(c1cnn([C@@H]2CC2(F)F)c1)N1C[C@H]2CCN(C(=O)CO)[C@H]2C1 |
CSC1(C(=O)NC2([C@H]3CCCN(C(=O)C4=C(C)OCC4)C3)CC2)CCC1 |
C=CCCCCCCC(=O)NCC1(C(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 |
C[S@](=O)CCC(=O)NC1CC2(C1)C[C@H]2NC(=O)c1ncccc1F |
CCCn1cc(C(=O)NC2(C)CCN(C(=O)C3CCC3)CC2)c(C)n1 |
CCOCC(=O)N1CC[C@@H]2OCCN(C(=O)c3onc(Br)c3C)[C@@H]2C1 |
C[C@@H]1[C@H](C(=O)NC(C)(C)CN(C)C(=O)C[C@@H](C)n2cc(Br)cn2)CCN1C |
CC[C@H](O)[C@@H](C)C(=O)NCCC1CN(C(=O)C2CC3(CCOC3)C2)C1 |
CNC(=O)COCC(=O)NC[C@@H]1C[C@@H]1CNC(=O)c1ccccc1CO |
CCN1CC[C@H]1C(=O)N1CCC[C@@H](c2cn(Cc3ccccc3F)nn2)C1 |
CCC[C@H](CCO)NC(=O)C[C@@H](NC(=O)CC1(OC)CCC1)[C@@H](C)OC |
C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCC(C)(C)c1ccccc1 |
CCC[C@@H]1C[C@H]1C(=O)NCCCCCCNC(=O)c1ccc(=O)n(CCOC)c1 |
C[C@@H](NC(=O)COc1ccc(Br)c2occc12)c1ccc2c(c1)OCO2 |
C[C@H](NC(=O)[C@H](F)CC(C)(C)NC(=O)c1cccc(=O)n1C)c1ncc[nH]1 |
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