smiles stringlengths 6 131 |
|---|
Cc1ccsc1CC(=O)N(C)C[C@H](C)C(=O)N[C@H](C)CC(C)(C)CO |
N=c1[nH][nH]c2ccc(C(=O)N3CC(CO)(NC(=O)c4sccc4Br)C3)cc12 |
C=CC[C@H](C(=O)N1C[C@@H](NC(=O)CCC#CC)[C@H](OC)C1)C(C)(C)C |
CC(C)[C@H](O)CC(=O)N1CC(O)([C@@H]2CCCN2C(=O)c2ccc(CCO)cc2)C1 |
CC=CCC(=O)N1CC2(CCN(C(=O)c3cnc4ncccc4c3)CC2)C[C@H]1C |
Cc1nnc2ccc(C(=O)N(CCNC(=O)[C@@H]3C[C@H]3[C@H]3CCCO3)C3CC3)cn12 |
CCCCn1cc(C(=O)N(C)[C@@H]2CCC[C@H](NC(=O)C(C)(C)C(=O)NC)C2)nn1 |
CCOC(=O)c1[nH]c(C)c(C(=O)NC[C@@H](NC(=O)[C@@H](O)CC)C2CC2)c1C |
CC(C)CC[C@H](O)C(=O)N1CC(C)(CCC(=O)NOCC(N)=O)C1 |
COCCC[C@H](C)C(=O)N(C)[C@@H]1CCCN(C(=O)c2cnn(CC3CC3)c2)CC1 |
CC(C)[C@@H](CC(=O)N1CCNC(=O)C1)NC(=O)Cn1cnc(=N)[nH]1 |
CN(Cc1nncs1)c1nc(NC2CC[C@@H]3C[C@H]3CC2)c2ncn(C)c2n1 |
CNC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CC1CN(C(=O)[C@@H]([C@H](C)O)N(C)C)C1 |
CO[C@@H](C(=O)N1C[C@H](CNC(=O)CO)[C@](F)(CO)C1)C1CCCC1 |
CN1CCN(c2cc(C(F)(F)F)ncn2)C[C@@H]1CNC(=O)C1(n2cnnn2)CC1 |
CC(C)[C@H](NC(=O)c1cnc(O)o1)C1CCN(C(=O)[C@H]2CCCCS2(=O)=O)CC1 |
CNc1scnc1C(=O)N1CC2(C1)CN(C(=O)[C@@]1(CO)CCCO1)C2 |
C[C@H]1CC=C(C(=O)NC[C@@H]2CC(C(=O)Nc3cnn(CCF)c3)=NO2)CC1 |
C[C@@H](CCCNC(=O)CCc1cccc(F)c1F)NC(=O)CS(C)(=O)=O |
CCC(C)=C(C)C(=O)N[C@@H](C)[C@@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1O |
COC[C@@](C)(OC)C(=O)N1C[C@@H]2CC[C@H](C1)[C@H](NC(=O)CCN1CCC1)C2 |
CSC1(C(=O)NCC[C@@H]2[C@@H](C)CCCN2C(=O)COCC2CCCC2)CCC1 |
COc1cc(C)cc(C(=O)N(C)C2CN(C(=O)[C@@H]3CCC[C@@H](C)C3)C2)c1 |
CCCc1ccc(NC(=O)c2c[nH]c3c(C)ccc(Br)c3c2=O)cn1 |
CN1C[C@H](C(=O)N2CCN(C(=O)C3=CCC3)[C@@H](c3cccnc3)C2)CC1=O |
CN(C)C1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2I)CC1 |
Cc1nc(CC2CC2)sc1C(=O)N1CC[C@@H](CN(C)[C@@H](C)C(=O)N(C)C(C)C)C1 |
Cc1nnc(CN2CCC[C@@H](NC(=O)c3[nH]ccc3C3CC3)C2)s1 |
CN(C)C(=O)NCCCN=c1nc(N2CCC[C@H](CCF)C2)c2ncn(C)c2[nH]1 |
CCC[C@H](CNC(=O)c1ccc(C)nc1)NC(=O)C1(C)CC(C)(C)C1 |
COc1ncc(C(=O)N[C@H]2[C@H]3[C@@H](O)C[C@@H]2CN3C(=O)c2ccc(C(F)F)cn2)s1 |
CC[C@@H](SC)C(=O)N1CCOC[C@H]1CCNC(=O)c1cccc(-n2cncn2)n1 |
CC(C)C1(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(F)c(CO)c3)CC2(F)F)CC1 |
CC[C@H](OC)c1cn([C@H]2CCC[C@H]2NC(=O)C(C#N)(CC)CC)nn1 |
CC(=CC(=O)N[C@@H]1CCN(C(=O)C[C@@H]2CCC(F)(F)C2)C[C@H]1CO)C(C)C |
CO[C@@H](CNC(=O)c1c(C)nn(C)c1C)CC(=O)NCc1nc(C)ns1 |
C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C12CN(C(=O)c1ccc(C#N)c(Cl)c1)C2)C1CC1 |
COc1ncccc1C(=O)N[C@H](C)CCNc1cnc(F)cn1 |
Cc1ccc(CNC(=NC[C@H]2CCOC2)NC[C@@H]2C[C@H]2c2ccco2)nc1C |
CCS[C@H](C)C(=O)N1CCC[C@H]([C@@H](C)NC(=O)c2cn(C)[nH]c2=N)C1 |
CC(C)C[C@@H](NC(=O)[C@@H]1CC12CCN([C@@H]1CCCC1(C)C)CC2)C(N)=O |
C[C@@H]1CC[C@H](N=c2nc(N(C)Cc3ccoc3)c3cccc(F)c3[nH]2)C1 |
C=CC[C@]1(NC(=O)[C@H]2CNC(=O)CC23CCC3)CCN(C(=O)CCCC(=C)C)C1 |
Cc1nc(C(=O)N2CCCN(Cc3cc([N+](=O)[O-])cc(Br)c3O)CC2)co1 |
CCC[C@@H](CCO)NC(=O)c1occc1CNC(=O)CC1=CCN(C)CC1 |
C=CCC[C@@H]1CCCN(C(=O)[C@H](CCOCCO)NC(=O)CCn2cncn2)C1 |
CC(C)n1ncc([C@H](C(=O)NCCCF)N2CCN3C(=O)N(C)C(=O)[C@H]3C2)c1F |
C[C@H](CC(=O)N[C@H]1C[C@H](NC(=O)CC[C@H]2CC2(C)C)C1)C1CC1 |
CC(=NOCC#N)C(=O)N1CC[C@H](CNC(=O)C#CC2CCCC2)C(F)(F)C1 |
CN(CCO)CC(=O)N[C@H]1CC[C@](C)(CNC(=O)Cn2ccc(C(F)(F)F)n2)C1 |
CC(C)(O)C1(C(=O)N2CC3(C(=O)NCc4c[nH]nc4C4CC4)CCC2CC3)CC1 |
C[C@H]1C[C@H](CNC(=O)[C@H]2C[C@@H](C#N)C2)CN1C(=O)COc1ccccc1C(F)F |
Cc1cc(Cl)c(C(=O)NC(C)(C)CN2CCN(c3snc(C)c3C#N)CC2)s1 |
CN(C[C@@H]1CCN(C(=O)c2nccc3cc[nH]c23)C1)C(=O)[C@H](CO)N(C)C |
CC(=O)Oc1cccc(C(=O)N2CCO[C@@H](C(=O)Nc3ccc(Br)nc3I)C2)c1 |
C[C@H](CO)C(=O)N[C@@H]1CN(C(=O)[C@H](C)C2CCCC2)CCC12CCOCC2 |
COC1(CC(=O)N[C@@]23CCOC[C@@H]2CN(C(=O)CCCC(C)=O)C3)CCCCC1 |
Cc1cc(=NC(=O)CSCC(=O)N2CCCC[C@H](NC(=O)C(C)(C)CF)C2)[nH]o1 |
Cc1c(O)cccc1CN[C@H]1CCN(C(=O)c2ccc(F)c(S(C)(=O)=O)c2)C1 |
CC(F)(F)c1csc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3CC34CC4)C2(C)C)n1 |
CC[C@@](C)(CCNC(=O)[C@H](C)NC(=O)C(C)(C)C)NC(=O)C[C@H]1C[C@H](SC)C1 |
C[C@@]1(CO)CCCN(c2nc(=NC[C@H]3Cc4ccccc43)[nH]c3c2CCC3)C1 |
Cc1noc(-c2ccccc2)c1C(=O)N1C[C@H]2C[C@H](O)[C@@H]1[C@@H]2NC(=O)[C@@H]1C[C@H]1C |
C=CC[C@H](C(=O)N[C@H](CC1CC1)C(=O)N(C)[C@H](C)C(C)(C)O)C(C)C |
C[C@@](CO)(NC(=O)[C@@H]1CCCCN(C(=O)c2nc[nH]n2)C1)C(F)F |
CC(C)(C(=O)NC[C@H](O)CCS(C)(=O)=O)C1CCC1 |
CSCC[C@@H](O)C(=O)N1CCC(C)(C)[C@@H]1CC(=O)NOCC(C)(C)O |
CCCN(C)CCC(=O)N1CC[C@H]2CCN(C(=O)C3CN(C4CCC4)C3)C[C@H]2C1 |
C=CC[C@@H](NC(C)=O)C(=O)N1CC(COC)(C(=O)N2CC3CC2C3)C1 |
CC(C)(C)CCCNC(=O)[C@@H]1CCCN(C(=O)C2CCC(=O)CC2)C1 |
CC[C@@H]1OCC[C@@H]1C(=O)NCCCCNC(=O)c1ccc(NC)cc1Cl |
CCCC(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1nnn(-c2ccc(F)c(F)c2)c1C |
CC(C)(NC(=O)CC[C@H]1CC1(C)C)C(=O)NC1CCC(F)CC1 |
C[C@H](C(=O)N1C[C@H](n2cc(C3(O)CCCCC3)nn2)CO1)c1cccc(C#N)c1 |
COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)CS(C)(=O)=O)cc1 |
CC(=O)N(C)CCCCC(=O)NC[C@H]1COCCN(C(=O)[C@@H](C)C2CCCC2)C1 |
COC(=O)c1ccc(OC)c(NC(=O)COc2ccc(OC)cc2)c1F |
C=C[C@@H](C)CCNC(=O)CNC(=O)c1ccc(-c2cccnc2)nc1O |
CCC=C(F)C(=O)N1CC[C@@]2(CCCN(C(=O)[C@@H]3[C@H]4CN(C)C[C@H]43)C2)C1 |
CCn1nc(C(=O)N[C@H]2CCC[C@H](CNC(=O)c3ccc(SC)o3)C2)ccc1=O |
CCn1ncnc1C(=O)N(C)C[C@@]1(O)CCCN(C(=O)[C@H]2CCCN2C)C1 |
CCc1cc(CC)nc(NC2(CNC(=O)C(C)(C)S(=O)(=O)C3CC3)CCCC2)n1 |
COCCN(C(=O)C[C@H]1CCCC[C@H]1F)C1CCN(C(=O)C(N)=O)CC1 |
CCN(C)C(=O)OCCN=C(NC1CCC1)N[C@@H](C)Cc1ccccc1 |
CCc1cc(F)cc(C(=O)OCc2ccncc2C#N)c1 |
C#Cc1cncc(C(=O)N2CC=C[C@@H]2CNC(=O)c2cc3cc(C)ccc3o2)c1 |
COC(=O)C1=C([C@@H]2C[C@H]2C)N(CCC2CC2)C(=S)N[C@@H]1c1cc(Cl)c(C)cc1Br |
C[C@]1(CNC(=O)[C@@H]2CC23CC3)CCCN(C(=O)c2cc(F)c(Br)cc2N)C1 |
Cc1nc(C(=O)NC[C@H]2CC3(CCC3)CN2C(=O)C=C(Cl)Cl)cn(C)c1=O |
Cc1cc(NC(=O)C[C@H]2CCC(=O)O2)ccc1NC(=O)C1(c2ccccc2)CC1 |
C=CCCCCCCCCN=c1[nH]c(=NCC2CC(=C3CC3)C2)[nH]c2c1CSC2 |
O=C(NCC1CC2(C1)CN(C(=O)CC1CCOCC1)C2)c1occ2c1CCOC2 |
CN(CCN(C)C(=O)[C@@H]1CCCC[C@@H]1n1ccnc1)C(=O)c1cc(C2CC2)cs1 |
CCCCNS(=O)(=O)c1ccc(N2CC[C@@H](CC(F)(F)F)C2)c(F)c1 |
Cc1sc(-n2cnnn2)c(C(=O)NC[C@H](CO)NC(=O)[C@]2(C)CC2(F)F)c1C |
CC[C@H](O)c1nc(Cc2cnn(CC)c2)n(-c2c(C)cccc2C)n1 |
CCn1cc(C(=O)N[C@H](C(=O)NCc2ncc(C)cc2C)[C@@H](C)O)cn1 |
CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NCc2ccc(C3CC3)c(F)c2)C1 |
CC(C)[C@H](C)C(=O)N1CCSC[C@H]1CCNC(=O)C(C)(C)c1cscn1 |
COCc1nnc(N2CCC[C@@](C)(CNC(=O)Cc3ccc([S@](C)=O)cc3)C2)s1 |
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