smiles stringlengths 6 131 |
|---|
C[C@@H]1CN(C(=O)c2cn(C3CCCC3)nn2)CCN1C(=O)[C@H]1C[C@@H](C#N)C1 |
CCOCCC1(NC[C@H](C)CSc2ncc(Br)cc2Cl)CCCC1 |
C[C@H](CCNC(=O)c1c(S(C)(=O)=O)cnn1C)NC(=O)[C@@H]1[C@H]2COC[C@H]21 |
C[C@@H](CCN(C)C(=O)CN1C(=O)CC(C)(C)C1=O)NC(=O)Cn1nccn1 |
CN(C[C@]1(O)CCOC1)C(=O)C1=NO[C@H](CNC(=O)[C@H](O)C2CC2)C1 |
CC[C@@H]1C[C@H]1CC(=O)NCC[C@@]1(O)CCCN(C(=O)c2cc(N)ccc2Cl)C1 |
C#C[C@H]1C[C@H]1C(=O)N(CC)C1CCN(C(=O)[C@H](C)c2nc(F)ccc2Cl)CC1 |
C=CC[C@]1(C(=O)O)CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccnc2)CCO1 |
Cc1ccc([C@@H](O)[C@H](C)NC(=O)NC2CC(CCO)C2)cc1 |
O=C(c1cncc(Br)c1)N1CCC(C2CN(Cc3csc([N+](=O)[O-])c3)C2)CC1 |
CC1(C)C[C@H](C(=O)Nc2ccc3n[nH]cc3c2)CN1C(=O)C=C1CCCCC1 |
CC(=Cc1cnc[nH]1)C(=O)N(C)C[C@@H]1CCCN1C(=O)c1ccc2occc2c1 |
CCCC1CCC(NC(=O)CCN(CC2CC2)C(=O)[C@H](C)SC)CC1 |
COc1cc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3C[C@@H]3C#N)C(F)(F)CC2)c(Cl)cn1 |
CCC[C@H](NC(=O)c1ncncc1OC)C(=O)N(C)CCCF |
CCCCS(=O)(=O)CC(=O)N1CC[C@@H](NC(=O)c2nc3ccccn3n2)[C@H](F)C1 |
Cc1nsc(N)c1C(=O)N(C)CC(C)(C)CNC(=O)c1cnc(C2CC2)[nH]1 |
C[C@@H](CC1CCCC1)C(=O)N1CCC(C)(CN=c2nnn(C)[nH]2)CC1 |
CCOCCCC(=O)N1CCC(CC(=O)Nc2ccccc2OC)CC1 |
Cc1cc(C)c(C(=O)NC[C@@H](CO)Cc2ccoc2)cn1 |
O=C(Cc1ccc(Br)cc1)Nc1ccc(C(=O)N2CC[C@]3(C2)C[C@@H](O)C3)cc1 |
O=C(CC(F)F)N1CCCN(C(=O)c2ccc3c(n2)CCC3)CC1 |
CN1CC[C@](C)(C(=O)N(C)[C@@H]2CN(C(=O)c3ccnc(CO)c3)CC[C@H]2O)C1=O |
CCCN(C(=O)[C@@H](C)Cn1ccc(C)n1)C1CCN(Cc2ccc(F)cn2)CC1 |
Cc1ccc([C@@H](C)NC(=O)N[C@H](c2ccccc2Br)C(C)C)cn1 |
CCOCCCC(=O)NC1(CO)CN(C(=O)COc2ccc(Br)c(C)c2)C1 |
C[C@H]1Cc2ccc(F)cc2CN1C(=O)C(=O)N[C@@H](C1CCCC1)C(F)(F)F |
CCCCCC(CCCCC)CC(=O)N1C[C@@]2(C(=O)OC)C[C@H]1CCO2 |
CC(C)Oc1ccc(F)cc1C(=O)N[C@@H]1C[C@@H]1CNC(=O)C[C@@]1(C)CCCO1 |
C#CCCCCCCCC(=O)NC[C@@H](NC(=O)c1cc(OC)n(C)n1)C(C)(C)C |
Cc1occc1CC(=O)N1CC[C@](O)([C@@H](C)NC(=O)C[C@]2(C)CCOC2)C1 |
CCC(OC)C(=O)N(C)C1CC2CCC(C1)N2C(=O)C1=C(N)C(C(C)C)=CC=C1 |
C[C@H]1CC[C@@H](C(=O)N2CC(O)(C3(CNC(=O)c4ccc(Cl)o4)CC3)C2)O1 |
O=C(Cc1cccnc1)NC[C@H]1CCC[C@H]1NC(=O)c1c(O)cc(Cl)cc1Cl |
CN1C(=O)COc2cccc(NC[C@@H]3C[C@@H]4COC[C@@H](C4)C3)c21 |
CO[C@H](COc1ccccc1)C(=O)N(C)C[C@H](C)NC(=O)C(C)(C)F |
C[C@@H](NC(C)(C)C)C(=O)N1C[C@@H](NC(=O)C=Cc2ccc(F)c(F)c2)[C@H](C)C1 |
C[C@@H](NC(=O)c1c2c(nn1C)CCN(C(=O)C(F)(F)Cl)C2)c1ccc(Cl)cc1 |
CCC[C@H](NC(=O)c1nnc(O)nc1O)C(=O)N(C)C1CC(OC)C1 |
CCCOCCCC(=O)N1CC[C@H](NC(=O)COC2(C)CCCC2)[C@@H](C(C)C)C1 |
CN1CCN(C)[C@@H](C(=O)NC[C@H]2C[C@@H](C(=O)NC3C[C@@H]4CSC[C@H]4C3)C2)C1 |
C[C@H]1C[C@@H]1C(=O)N1C[C@@]23CCC[C@]2(CN(C(=O)c2cc(Cl)c4n[nH]cc4c2)C3)C1 |
C[C@H](O)CN(CCO)C(=O)C[C@]1(C)CCN(C(=O)[C@@H]2CN3CCC2CC3)C1 |
CC[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H](CNC(=O)[C@H]2C[C@@H]3C[C@@H]3C2)CC1 |
CO[C@H]1CN(C(=O)[C@@H]2CC[C@@H]2C)C[C@@H]1C(=O)N(OC)C1CCCC1 |
CC(=O)N(C)CCCCC(=O)N(C)[C@@H](C)CN(C)C(=O)[C@H](F)OC(F)(F)F |
Cc1cc(CC(=O)NC[C@H]2CCCCCN2C(=O)c2cc(F)c(O)c(F)c2)on1 |
COC[C@H]1CN(C(=O)c2cc(-n3cccn3)ccn2)CCN1C(=O)c1ccsc1 |
CC1(C)CC(C#N)(CNC(=O)[C@H]2CCCCN(C(=O)CC34CCC(CC3)C4)C2)C1 |
CN(CCCNC(=O)C[C@@H]1CCC(C)(C)O1)C(=O)c1csc(O)n1 |
Cn1ccc(C(=O)N[C@@H](C(=O)NC[C@](C)(O)C(F)F)C2CCCC2)c1 |
CC(C)[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)C3CCC(C)(C)CC3)C[C@@H]2C)C(=O)N1 |
CC(C)=C(C(=O)NCCN(C)C(=O)CN1C(=O)[C@@H](C)[C@@H](C)C1=O)c1ccccc1 |
Cc1c(C(=O)N2CCSC[C@@H]2C(=O)N[C@@H](C)C(=O)NC(C)C)nnn1C |
CCn1cc(CC(=O)N2CCC[C@@](C)(NC(=O)CCc3ccccc3F)C2)nn1 |
CC[C@H](CN(C)C(=O)c1ccnc2ncnn12)NC(=O)CO |
COCCCC(=O)N1CC[C@@H](CO)[C@@H](NC(=O)c2ccnc(F)c2OC)C1 |
CC[C@H](C)C(=O)NCC(=O)N1C[C@@H](C)[C@H](CNC(=O)Cc2ccsc2C)C1 |
C[C@H](NC(=O)c1csc2c1CCC(C)(C)C2)C1(O)CN(C(=O)Cc2ccsn2)C1 |
CCN1CC[C@@H]1C(=O)N[C@H]1COCC[C@H]1C(=O)N1CCC(C)(F)CC1 |
CCOCC(C)(C)C(=O)N1CCC[C@](C)(NC(=O)C[C@H]2COC(C)(C)C2)C1 |
COCC1(NC(=O)c2cscc2C)CN(C(=O)[C@](C)(CO)OC)C1 |
CC1(C)CN(C(=O)[C@H]2CC2(Cl)Cl)C[C@H](CNC(=O)C=CCOc2ccccc2)O1 |
CN1CCN(c2cc(C(=O)NC/C=C/CNC(=O)c3cnn[nH]3)ccn2)CC1 |
CC[C@H](O)CC(=O)NCc1cc(C(=O)NC2(CSC)CC2)n[nH]1 |
C[C@@H](CNC(=O)C(F)(F)CCc1ccccc1)N(C)C(=O)C[C@@H]1CCC(=O)N1C |
CCc1cc(C(=O)NCC[C@@H](C)CCNC(=O)[C@@H]2C[C@@H]2c2nc[nH]n2)no1 |
CCCCCCC(=O)N1CC[C@](O)(CN(C)C(=O)[C@@H]2C[C@H](F)CN2C)C1 |
CSc1cccc(C(=O)N[C@@](C)(CNC(=O)c2cc(C)c(F)cc2O)C2CC2)c1 |
CC[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(Cl)cn2)CC12CC2)C(=O)OC |
Cn1cnc(C(=O)N2C[C@@H](O)C[C@]2(C)C(=O)NCc2nncs2)n1 |
CC#CCCC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)c2cc(C)ncc2C)CC1 |
Cc1nocc1C(=O)N(C)C1CCN(C(=O)C[C@@](C)(C(F)F)N(C)C)CC1 |
COC(=O)[C@@H]1C[C@H](C)CN(C(=O)c2c[nH]c3ncc(-c4cccc(O)n4)cc23)C1 |
CO[C@@H]1CCC[C@H]1C(=O)N1CCC[C@@H](C2CN(C(=O)c3cc(C)nc(Cl)c3)C2)C1 |
CC[C@@H]1CN(C(=O)c2cc(C)c(C)c(C)c2)C[C@@H]1NC(=O)CSc1ccncc1 |
O=C(NC1CN(C(=O)c2n[nH]cc2Cl)C1)c1cc(-c2ccc(F)cc2)ns1 |
N#Cc1c[nH]c(=NC(=O)C2CN(C(=O)Cc3c[nH]c4ncccc34)C2)cc1Cl |
CC(C)[C@@H]1[C@@H](NC(=O)[C@H](C)Cc2cnc[nH]2)CCN1C(=O)CCCC1OCCO1 |
O=C(N[C@H]1C=CCN(C(=O)Cn2ccc(C3CC3)n2)C1)[C@@H]1CCCc2sccc21 |
CCCC[C@H]1CCCN1C(=O)[C@@H](Cc1cc[nH]n1)NC(=O)Cn1ccnc1 |
Cc1nc(O)[nH]c1C(=O)NC1([C@@H]2CCCN2C(=O)CSS(C)(=O)=O)CC1 |
CCCCC1(NC(=O)CSCCNC(=O)[C@@H](C)CCC)CC1 |
Cc1nscc1C(=O)NC[C@@]12C[C@H]1CN(C(=O)C=Cc1cnccn1)C2 |
C[C@@H](N=[N+]=[N-])C(=O)NC[C@H](O)CC(=O)NCCC1CCCCC1 |
C#CCCCOCC(=O)N1CC[C@H](NC(=O)C2=C(C)CCCC2)[C@@H]1C |
C[C@H](NC(=O)Cn1cnnc1)[C@H](C)C(=O)N(C)[C@@H]1C[C@H]1C1CC1 |
C#Cc1cncc(C(=O)NC2CC3(CCN(C(=O)CC[C@H]4CCOC4)CC3)C2)c1 |
CC1(C)C[C@@H](NC(=O)[C@H](F)CC2CCC2)CN(C(=O)CCC2CCC2)C1 |
CN(C)C(=O)CCN=C(NCC(C)(C)[C@@H]1CCCCO1)NC[C@@]1(C)CCC(=O)N1 |
C[C@@]1(c2ccccc2)C[C@H]1C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)C(F)(F)CO |
CCOCCO[C@@H](C)C(=O)NC[C@H]1CCCN1C(=O)c1c[nH]cc(C)c1=O |
CCn1cc(NC(=O)/C=C/C(C)(C)NC(=O)[C@@H](C#N)C(C)(C)C)c(C)n1 |
Cc1cccc(-c2cnc(C(=O)N3C[C@H]4COC[C@H]4C3)c(C(F)(F)F)c2)c1 |
C[C@H](CC(=O)NCCCCCNC(=O)CC(C)(C)C(F)F)C1CCCC1 |
CO[C@](C)(CNC(=O)c1nccnc1C)CNC(=O)[C@H]1CN(C(C)C)CCO1 |
CC/C(C)=C/C(=O)N1C[C@@H]2CC[C@]2(NC(=O)c2cn(C)c(O)n2)C1 |
CCO[C@@H]1C[C@@H]2CN(C(=O)CC(C)(C)NC(=O)Cc3cc[nH]c3)C[C@H]21 |
C[C@@H]1C[C@H](NC(=O)CCCOc2ccccc2)CCN1C(=O)C[C@@H]1CC1(Cl)Cl |
Cc1[nH]cc([N+](=O)[O-])c(=O)c1C(=O)N1CCC(C[C@@H](C)NC(=O)[C@H](C)CO)CC1 |
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