smiles stringlengths 6 131 |
|---|
O=C(NCC1(F)CCN(C(=O)CSCC(=O)N2CCCCC2)CC1)[C@@H]1[C@H]2CC[C@H]21 |
C=C1CC(CC(=O)NCC[C@H]2CC[C@@H](NC(=O)C3(C)CCCCC3)C2)C1 |
Cc1ccc(C(=O)N2C[C@H]3CCN(Cc4csc5ccccc45)C[C@H]3C2)c(Br)c1 |
CC[C@H](CC(=O)N[C@@]12C[C@@H]1CN(C(=O)c1ccnc(-n3cccn3)c1)C2)C(F)F |
CCC(CC)CCC(=O)N[C@H](CNC(=O)[C@@H]1CS(=O)(=O)c2ccccc21)C1CC1 |
COCC1(C(=O)N2C[C@H]3CC(NC(=O)c4coc(N(C)C)n4)C[C@@H]3C2)CCCC1 |
CSCC(=O)NCC1(CNC(=O)c2cccc3c2CCO3)C[C@@H]2CCC[C@H]2C1 |
C#CCCCN(C)C(=O)[C@@H](CCC)CNC(=O)[C@@H]1C[C@H]1C#N |
C=C(Cl)CCC(=O)NC[C@]1(CO)CCN(C(=O)CNC(=O)[C@@H]2C[C@@H]2C)C1 |
C[C@H]1CCN(C(=O)CCc2cnn(C)c2)[C@@H]1CNC(=O)CC12CC(C1)C2 |
CC(C)C[C@@H](C(=O)N1CC(NC(N)=O)C1)N(C)C(=O)C1=CCCSC1 |
CC(C)Oc1ccc(CN[C@@H]2CC[C@@H](NC(=O)Cn3nccn3)C2)cc1 |
CCC1(C#N)CCN(C(=O)[C@H]2C=CCN2C(=O)c2cn(CCO)nn2)CC1 |
CN(CC(=O)N1CC[C@](O)(CNC(=O)C2(CC#N)COC2)C1)Cc1ccccc1 |
CC(C)(C(=O)N1CC[C@H](OCCNC(=O)C[C@@H](C(F)F)n2ccnc2)C1)C(F)F |
CCOC(=O)CC(C)(C)CC(=O)N[C@@H]1[C@@H]2CC[C@H]1N(C(=O)[C@H](C)SC(F)(F)F)C2 |
CO[C@H](CCSC)C(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2ncc[nH]2)C1 |
CN(C)Cc1cc(C(=O)N2C[C@H]3C[C@@]3(NC(=O)c3cc(C(C)(C)C)c[nH]3)C2)no1 |
Cc1nnc(CCC(=O)N[C@H]2CC[C@@H](NC(=O)c3cc(C#N)ccc3F)C2)n1C |
CC1(c2ccccc2C(=O)N2CC[C@@H]2CNC(=O)c2cnc3scnc3c2)CC1 |
COCC=CC(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCCC23CCC3)C1(C)C |
CC(F)(F)CC(=O)NC[C@H]1CN(C(=O)[C@@]23CCCN(CC2)C3)CCO1 |
Cc1ncc(C(=O)N[C@H]2[C@@H]3C[C@H]2N(C(=O)c2cccc(C(F)(F)F)c2F)C3)s1 |
O=C1C[C@@H](C(=O)N2CCC(CC(=O)N3CC(N4CC(F)C4)C3)CC2)CCN1 |
C=C1CC(C)(C(=O)N2CC[C@@H]3[C@H](CCCN3C(=O)c3ccc(C(F)F)cn3)C2)C1 |
CCc1ccc(-n2c(Sc3ncnc4ccnn34)nc3ccccc3c2=O)cc1 |
O=C(C=CC1CCOCC1)NC1[C@H]2CC[C@H]1CN(C(=O)[C@H]1C[C@@H]1Cl)C2 |
CC(C)N(CCN(C)C(=O)[C@H]1CCC(=O)O1)C(=O)[C@@H](C)CC1CCCC1 |
N#C[C@]1(CNC(=O)[C@H]2CCc3nnc(-c4ccccc4)n3C2)CCNC1 |
O=C(CCn1ccnc1)NC[C@H]1CCCN1C(=O)COc1ccccn1 |
CC[C@H](CC(=O)N1CCC[C@@H]1CN(C)C(=O)c1cccc2c1OCCC2)OC |
C=C=C(C)CC(=O)NC[C@@]12C[C@@H](CO1)N(C(=O)C1=C[S@@](=O)CCC1)C2 |
CCN(C(=O)[C@@H](NC(C)=O)C(C)C)[C@H](COC)Cc1ccccc1 |
CCOc1nc(Cl)ccc1C(=O)NCC[C@@H](C)NC(=O)c1nn(C)c2c1CCC2 |
C[C@@H](CCCc1ccccc1)C(=O)NC[C@@H]1C[C@H]1CNC(=O)CSCCC#N |
CC1CCN([C@@H](C(=O)N2CCC(N(C)C(=O)[C@@]3(F)CCOC3)CC2)C(C)C)CC1 |
CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@H](C)O2)C1 |
CCc1cnccc1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc3nc(=N)[nH]n3c2)C1 |
CC[C@H](O)C(=O)NCC(C)(C)[C@@H]1CCCCN1C(=O)c1cscc1OC |
O=C(CC1CS(=O)(=O)C1)N[C@H]1CCN(C(=O)C23CCC(CC2)CO3)CC[C@@H]1CO |
CN(CCOCCNC(=O)c1ccnnc1)C(=O)C#CC1(C(F)(F)F)CC1 |
CC(C)[C@@H](O)C(=O)N(CCN(C)C(=O)c1cnc(C(C)(C)C)o1)C(C)C |
COc1ccc(C(=O)NC2(C)CN(C(=O)[C@@]3(OC)CCC34CCC4)C2)c(C)c1 |
CC(C)C(C)(C)CN=c1[nH]c2c(c(=N[C@@H](CCO)C3CC(F)(F)C3)[nH]1)COC2 |
C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)/C=C/C(=O)c1ccc(F)c(F)c1)C(F)F |
C#CCO[C@H](C)C(=O)N1CC[C@]2(CCN(C(=O)CC[C@@H](C)O)C2)C1 |
CCc1nc(O)c(C(=O)N(CCNC(=O)CCCN(C)C(C)=O)C(C)C)cc1C |
C=C(CCNC(=O)Cc1cn(C)nn1)CNC(=O)CCn1ccc2ccccc21 |
COc1ccc([C@H]2CCCN2CN2C(=O)CCC2(C)C)nc1 |
CC1(C)C[C@]1(NC(=O)CC1CCOCC1)C(=O)N[C@H]1COCCC1(F)F |
CCC[C@@](C)(O)C(=O)N(CCCNC(=O)[C@H]1Cc2cccnc2C1)C1CC1 |
O=C(CC(F)F)NC1CC2(CCN(C(=O)[C@@H](O)c3cnc[nH]3)C2)C1 |
CCn1c(C(=O)N[C@H](C)[C@@H](C)NC(=O)c2occ(C)c2C)cnc1O |
O=C(NCc1ccco1)[C@@H](c1cc(F)ccc1F)N1CCO[C@@H](c2nccs2)C1 |
Cc1ncn(C)c1C(=O)N[C@@H](C)C[C@H](C)NC(=O)c1cccs1 |
CSc1ccc2cc(C(=O)Nc3cccc(NC(=O)C4CCCCC4)c3)[nH]c2c1 |
CCOC(C)(C)C(=O)N[C@@H]1CO[C@]2(CCN(C(=O)c3cc(F)ccc3F)C2)C1 |
C=CCCCCN(C)c1nc(=NC[C@H]2CCCC[C@@H]2CC)[nH]c2cccc(F)c12 |
CCc1occc1C(=O)N[C@H]1CC12CC(NC(=O)C1(O)CCC1)C2 |
CCC(C)(C)OCC(=O)NCC1(COC)CN(C(=O)[C@@H]2CC(=O)N(C(C)C)C2)C1 |
CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@H](C)C(C)(C)NC(=O)c1ccc(F)cc1O |
C[C@H]1CCN(C(=O)c2sccc2C2CC2)C[C@H]1NC(=O)c1cnn[nH]1 |
Cc1ccc(Br)cc1C(=O)NC[C@@]1(C)CN(C(=O)[C@H]2CCCOC2)CCO1 |
O=C(N[C@H]1C[C@H]2C[C@H](NC(=O)[C@H]3CC34CCC4)C[C@@H]12)c1sccc1CO |
Cc1nc2cncc(C(=O)N3CC4(CCCN(C(=O)[C@@H]5CC=CCC5)C4)C3)c2[nH]1 |
O=C(O)[C@@H]1CN(CCC[C@H]2CCOC2)CC2(CCC2)O1 |
O=C(Cc1cccc(F)c1)NC[C@]1(F)C[C@H](CNC(=O)C(F)(F)c2cscn2)C1 |
CCNC(=O)CC(=O)N1C[C@H](CO)C2(C1)CN(C(=O)c1cc(C)c(F)cn1)C2 |
C[C@H](O)Cc1cn(C[C@]2(O)CCN(C(=O)C3CCN(CC4CC4)CC3)C2)nn1 |
CCOC1(CNC(=O)c2cccc([S@@](C)(=N)=O)c2)CC1 |
C=CCC1(NC(=O)[C@@H]2CN(C(=O)CC3OCCCO3)C[C@H](C)O2)CC1 |
CC(C)(C)c1ncc([C@@H](C(=O)NC2CC2)N2CCN3C(=O)CC[C@@H]3C2)cn1 |
Cc1cnc2cccc(C(=O)N3CC4(CC[C@H]4NC(=O)[C@H](O)C(C)C)C3)n12 |
CC(C)S(=O)(=O)CC(=O)NC1CCC(NC(=O)C2CC(C)(C)C2)CC1 |
CCCC[C@@H](CC)CC(=O)N1CC2(CCCC2)[C@@H]1C(=O)NCC1(CC2CC2)CC1 |
C=C1CC(CC(=O)N2C[C@@H](NC(=O)CCC)C[C@H]2c2ccc(Br)cc2)C1 |
CC(C)N(CCCNC(=O)CSc1ccc(F)cc1)C(=O)C[C@H]1CC(=O)NC1=O |
CCC1(C(=O)N2CCCC[C@H](C(=O)N[C@H]3CCc4n[nH]cc4C3)C2)CC1 |
Cc1cc(N)c(C)nc1C(=O)N1CC[C@@H](NC(=O)[C@H]2C[C@H]2C)C(C)(C)C1 |
CC(=O)NCCCC(=O)NCCCC(=O)NC[C@@H](CO)C(C)C |
C=C(Cl)CCC(=O)NC1([C@H]2CCN(C(=O)c3cnccc3Cl)C2)CC1 |
C=CC[C@H]1CCN(C(=O)[C@H](CC)N(C)C(=O)[C@@H]2C[C@@H](F)C(=O)N2)C1 |
C[C@@H]1C[C@H]2CN(C(=O)[C@H]3CC=CCC3)C[C@H]2N1C(=O)c1ccnc(S)c1 |
Cc1ncsc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H](C)SCc2ccccc2)C1 |
CO[C@](C)(C(=O)NCCOCC(=O)N1CC[C@H]([C@@H](C)O)C1)C1(C)CC1 |
C[C@H](NC(=O)[C@@](C)(F)c1ccccc1F)[C@@H]1CCCN1C(=O)CCNC(N)=O |
C=CCC1(NC(=O)C(Br)=C(C)C)CN(C(=O)c2c(Cl)ccnc2F)C1 |
CCc1ccc(OCC(=O)N[C@@H]2COCCN(C(=O)CSc3cn[nH]c3)C2)cc1 |
COc1ccc(C)cc1C=CC(=O)NC[C@H]1CCN(c2ccc(C#N)cn2)C1 |
CC(=O)NCCCC(=O)N(C)[C@@H](C)CN(C)C(=O)c1cc(C)c(N)c(C)c1 |
CSc1c(Cl)cccc1NC(=O)N(C)CC1(O)CCOCC1 |
CCCN(CC)[C@H](C(=O)NC[C@@H]1CCOC1)c1ccn([C@@H]2CC2(F)F)n1 |
COC1(C(=O)N2CCC(CN(C)C(=O)[C@H](C)CC(C)(C)C)CC2)CC1 |
CC[C@H](CCCC(=O)N1O[C@H]2C=C[C@H]1CC2)NC(=O)CCSC |
C#CCCO[C@H](C)C(=O)NCC1(O)CN(C(=O)C[C@@H]2CCOc3ccccc32)C1 |
CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCN(C(=O)C3=CCCCC3)CC2)nn1 |
CCOC(CC(=O)N1CC2CC1(CNC(=O)[C@H](OCC)C1CCCC1)C2)OCC |
CC[C@H](C)[C@H](OC)C(=O)N1CC[C@H](N=c2nc(-c3ccccc3)[nH]s2)[C@@H](C)C1 |
C#C[C@H]1C[C@H]1C(=O)N1CC[C@@H](N(CC)C(=O)CNC(=O)c2ccco2)C1 |
COC(OC)C(=O)NC[C@H]1CCN(C(=O)[C@H](C)CS(C)(=O)=O)C1 |
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