smiles stringlengths 6 131 |
|---|
Cc1ccc(C(=O)NC2(CO)CN(C(=O)C(C)(C)n3cc(Br)cn3)C2)cn1 |
COC(=O)c1cc(I)ccc1NC(=O)c1cncc(NC(=O)[C@@H]2C[C@@H]2F)c1 |
CSc1cnc(N[C@H](CC(=O)Nc2nn[nH]n2)c2ccc(C#N)cc2)nc1 |
CO[C@](C)(CO)C(=O)NC[C@H](NC(=O)Cc1ccc(-n2ccnc2)cc1)C(C)C |
C[C@]1(CNC(=O)Cc2nnc(O)s2)CCN(C(=O)C2(CO)CCCC2)C1 |
C#C[C@H](C)N(CCCC)C(=O)c1cnc2nc(C)oc2c1 |
O=C(NC[C@]12C[C@H]1CN(C(=O)CC1CCCC1(F)F)C2)C1=CC=C(C(F)F)C=N1 |
CN(C[C@H]1CCOC1)c1nc(NCC[C@H]2CCCC2(C)C)c2cnn(C)c2n1 |
CC(C)CNC(=O)CNC(=O)[C@@]1(C(C)C)CCN(C(=O)c2ccc(C(C)C)o2)C1 |
CCc1conc1CC(=O)N[C@H](CC(=O)N1CCC[C@H](O)[C@@H]1C)C1CC1 |
O=C(Nc1cc(F)c(Cl)cc1F)c1cncc(Nc2ncnc3[nH]cc(I)c23)c1 |
O=C(NC[C@@]12CC[C@@H](CO1)C2)C1CC(CCNC(=O)[C@@H]2CCCS2)C1 |
N#Cc1ccc(N2CC[C@]3(NC(=O)[C@@H](O)C4CCCCC4)CCCCC[C@H]23)nc1 |
CCc1ncoc1C(=O)N1CCN(C(=O)[C@H]2CC[C@@H](NC(C)=O)CC2)[C@@H](C)[C@@H]1C |
CCn1ccc(C(=O)N[C@]2(CCOC)CCN(C(=O)c3cnn(C)c3Cl)C2)n1 |
CCOC(=O)CCCNC(=O)[C@@H](c1cccc(CO)n1)N1CC[C@H](O)[C@H](CO)C1 |
CN(CC(C)(C)CNC(=O)c1cc2cscc2s1)C(=O)CS(=O)(=O)C(C)(C)C |
COC(=O)c1cccc(C(=O)N2CC[C@@](C)(CNC(=O)CSCC(N)=O)C2)c1C |
C=C[C@@H](O)C(=O)NCc1ccc(C(=O)NCc2ncc(CO)[nH]2)o1 |
CCN(CCCNC(=O)C[C@]1(C)CCCO1)C(=O)c1cc(Cl)c(OC)c(OC)c1 |
CNC(=O)CCC(=O)N1CC2(C1)SCC[C@H]2NC(=O)c1noc2ncccc12 |
C#CCCOCC(=O)N[C@@H]1CCN(C(=O)Cc2ccc(F)c(C)c2)[C@@H](C2CC2)C1 |
CCc1onc(C)c1C(=O)N1CC(NC(=O)c2cc(Cl)c3c(c2)OCO3)C1 |
C=C(Br)CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)N(C(=O)c2cc3n(n2)CCO3)C1 |
CN(CCN(C)C(=O)C(F)(F)c1ccc(Br)cc1)C(=O)[C@H]1CCCN1C=O |
CCCCc1ocnc1C(=O)N[C@@H](C)[C@@H]1CN(C(=O)CC2(C#N)CC2)CCO1 |
CN(Cc1cnnn1C)C(=O)[C@H](CC1CCC1)NC(=O)[C@]12CSC[C@@H]1C2 |
COc1ccc(NC(=O)[C@H]2CCCN(C(=O)COc3cnn(C)c3)CC2)cc1F |
CCS(=O)(=O)N(C)CCNc1ncc(C)cc1S(=O)(=O)NCc1ccc(SC)s1 |
N=c1[nH]c(CC(=O)NC2(C3CCN(C(=O)c4cnc[nH]4)CC3)CC2)cs1 |
CC(=O)O[C@H]1CCN(C(=O)C(C)(C)CNC(=O)C=C[C@H]2CCCN2C)C1 |
C=C=CCC(=O)N1CCC[C@H]1CNC(=O)Cc1csc2ccccc12 |
NS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2C[C@H]2NC(=O)[C@H]2CC[C@H]([N+](=O)[O-])CC2)s1 |
CC1=C(C(=O)N[C@H]2C[C@@H](NC(=O)CN3C[C@H]4CC[C@H]3C4)C2)CCCO1 |
O=C(Cc1cn[nH]c1)NCC1CN(C(=O)c2ccnn2CC(F)F)C1 |
CC[C@H]1CN(C(=O)CC2(O)CCCCC2)CC[C@@H]1NC(=O)C1=CC(C)(C)C1 |
COc1cc(C(=O)N(CCCNC(=O)c2cn(C(F)(F)F)cn2)C(C)C)on1 |
Cc1nonc1CC(=O)N[C@]12CCN(C(=O)c3ccc(O)c(Br)c3)CC[C@H]1C2 |
CCc1sccc1C(=O)N[C@@H](C)[C@H](C)NC(=O)c1c(C)cccc1[N+](=O)[O-] |
C#CC[C@]1(O)C[C@@H](C(=O)N2CC[C@@](CNC(=O)[C@H](O)C=CC)(C(C)(C)C)C2)C1 |
C=CC1(C(=O)NOCC2(C)CC2)CCN(C(=O)CCN(C)C)CC1 |
Cc1nn(C)cc1C(=O)N1C[C@@H]2[C@@H](C[C@H]2NC(=O)c2cccc(C(F)(F)F)c2)C1 |
CC[C@H](CC(=O)NCc1cc(C(=O)NOC[C@H](O)C(C)C)co1)C(F)F |
C#CCNC(=O)CC(=O)N[C@H]1CCC[C@H]1CNC(=O)C1CC2(CCCC2)C1 |
CO[C@@H](C(=O)NCCN(CC1CC1)C(=O)[C@H]1CCCN1C(C)=O)C1CCCCC1 |
CO[C@H](CNC(=O)CCC(C)(C)F)CC(=O)N1CC(=O)N[C@H](C(C)C)C1 |
Cn1nncc1C(=O)N[C@@H]1C[C@H]1[C@H]1CCCN(C(=O)c2c(F)ccnc2Cl)C1 |
CSC[C@@H](C(=O)N[C@H](C)CCNC(=O)C1=CCCOC1)c1ccccc1 |
CCc1ccoc1C(=O)N1CC2(C(=O)NCCc3ccccn3)CCC1CC2 |
CC(=NOCC#N)C(=O)NC[C@H]1CCN(C(=O)C#CC(C)(C)C)C[C@@H]1C |
C=CC[C@](C)(CC)COC(=O)[C@@H]1CCC[C@@H]1O |
CC(C)(C)[C@H](C(=O)N[C@@H]1COC[C@@H]1NC(=O)CCc1ccncc1)C1CCCC1 |
C#CCCN(CCO)C(=O)[C@@H](F)C1(O)CN(C(=O)c2cc(COC)on2)C1 |
CCC(CC)CC(=O)NO[C@H](CC(C)C)C(=O)N(C)[C@@H]1CCCCC[C@H]1O |
COC(=O)N(C)CC(=O)N[C@H]1C[C@@](F)(CNC(=O)C2=CC(C)(C)C2)C1 |
COc1cc(N(C)CCCN(C)C(=O)C2(S(C)(=O)=O)CC2)ccc1[N+](=O)[O-] |
C[C@H]1CN(C(=O)CCOCc2ccccc2)C[C@H]1NC(=O)CCC(C)(C)F |
Cc1cc(N2CCCC[C@H](N3CCCC3)C2)ncc1S(=O)(=O)NCCC(C)(C)C |
CC(C)C[C@@H](C)CC(=O)N[C@H]1C[C@@](C)(NC(=O)c2ccc([C@H]3CC3(F)F)cc2)C1 |
CC[C@@H](COC)C(=O)N[C@]1(C(=O)N(C)C2(C3CC3)CC2)C[C@H](O)C1 |
CN1CCC[C@@H](NC(=O)[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2NC(=O)c2c[nH]ccc2=O)CC1 |
CCC[C@@H](OCC)C(=O)N1C[C@H](O)C[C@H]1CC(=O)N[C@@H](CC)C(=O)NCC |
CC=CC(=O)N[C@@H]1CC[C@](C)(CNC(=O)c2ccnc3c2cnn3C)C1 |
C#CC[C@@H](O)C(=O)N1CCC2(CC[C@H]2CNC(=O)c2cc(C)c(CC)s2)CC1 |
CN1CCN(C(=O)[C@@]23C[C@@H]2CN(C(=O)c2cc(C4CC4)no2)C3)[C@H](CO)C1 |
C=CCN(CCC(=O)NOCC1(C)CCC1)C(=O)Cc1ccon1 |
C[C@H](CCNC(=O)[C@@H](O)Cc1ccccc1)NC(=O)CP(C)(C)=O |
CC[C@@H](CC(=O)NC12CC(CNC(=O)c3cc(C4CC4)nnc3O)(C1)C2)C1CC1 |
Cc1cnc(C(=O)N[C@@]2(C(=O)N[C@H](C)CN3CCCC3=O)CCN(C)C2)c[n+]1[O-] |
C[C@]1(C(=O)N2C[C@@H]3C[C@H](C2)[C@H](NC(=O)CSc2cccs2)C3)CCCNC1=O |
COc1ccc(C)c(C(=O)N(C)C[C@H]2CN(C(=O)[C@H]3CCC(=O)C3)CCO2)n1 |
C[C@@H](C(=O)NCCN(C)CCO)N(C(=O)CCCn1ccnc1)C1CC1 |
CC(=O)OCC(=O)N1C[C@H]2COC[C@@]2(C(=O)NC[C@@H]2C[C@H]3C[C@@H]2C[C@H]3O)C1 |
CCS(=O)(=O)NCC(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)n1ccc(C2CC2)n1 |
C[C@@H](NC(=O)[C@H](O)C(C)(C)C)[C@@H](CO)NC(=O)c1ocnc1C(F)(F)F |
CCC1(C(=O)N2CC[C@@H](C)C[C@H]2C)CCN(C(=O)c2ccnnc2C)CC1 |
Cc1nonc1CC(=O)NC[C@H](C)NC(=O)c1cnnn1-c1c(Cl)cccc1Cl |
CSCc1ccc(C(=O)N2C[C@H](NC(=O)Cn3c(C)c(C)sc3=O)CC2(C)C)o1 |
CC[C@@H](CO)C(=O)N1CC2(CC2)C[C@H]1CNC(=O)c1nc2ccccc2cc1C |
O=C(NCCN1CCC(NC(=O)[C@H]2C[C@H]2Cl)CC1)c1c[nH]nc1-c1cccs1 |
O=C1NC[C@@H](C(=O)N2CCO[C@H]3CCN(C(=O)c4csc(C(F)(F)F)n4)C[C@H]32)N1 |
C#CCCC(=O)NOCC(=O)NCc1n[nH]c(C)n1 |
CCC1(CN[C@H](c2ncsc2C)c2nnnn2C)CCCC1 |
COc1nn(C)cc1C(=O)N1CCC(C(=O)NCc2ncc(Br)s2)CC1 |
CC[C@@H](O)[C@H](C)C(=O)N[C@@H]1C=CCN(C(=O)c2cc(C3CC3)cs2)C1 |
NC(=O)c1ccc(Br)cc1NC(=O)[C@@H]1CNCCN1Cc1nc(Br)cs1 |
Cc1cccc(C(=O)N[C@H](CNC(=O)c2cccnc2N(C)C)C2CCC2)c1C |
C#CC[C@]1(C(=O)N[C@H](C)[C@H]2CCN(C(=O)CNC(=O)CC)C2)CCCO1 |
COCC1(CC(=O)N[C@H]2CCN(C(=O)c3ccc4ccsc4c3)C2)CC1 |
O=C(COCCc1ccc(Cl)s1)NCC[C@H](F)Cn1cc([C@H]2CC=CCC2)nn1 |
CC(C)[C@@H](F)C(=O)NC[C@@H](NC(=O)CN(C)C(C)C)C1CCCCC1 |
COC(=O)[C@@](C)(F)C(=O)N1CCN(C(=O)[C@@H]2CC(C(C)(C)C)=NO2)CC1 |
O=C(N[C@H]1C[C@@H](F)CN(C(=O)c2cc3ccc(F)cc3o2)C1)c1cncs1 |
C[C@H](CN(C)C(=O)C=CC1CCCCC1)C(=O)N(C)C[C@H]1CCCS1 |
CCc1nc(C(=O)N[C@]2(C)CCN(C(=O)C3(C#N)C[C@@H]4C[C@H]4C3)C2)cs1 |
C[C@H]1CN(C[C@@H]2CC3(CCNCC3)CO2)[C@H](C)CN1C |
C[C@]1(C(=O)N2CCOC3(CCN(C(=O)COC[C@@H]4CCCO4)CC3)C2)CCCS1 |
CCN(C)CC(=O)N1CCC[C@@H](NC(=O)C[C@H]2CN(C)c3ccccc32)[C@H]1C |
C=C=CCCC(=O)N[C@H]1CC[C@@H](O)CN(C(=O)[C@@](C)(O)c2cccc(F)c2)C1 |
Cc1cccc(/C=C/C(=O)N2CC[C@H](C(=O)N[C@@H]3CC[C@H]3C)[C@H](C)C2)c1 |
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