smiles stringlengths 6 131 |
|---|
C[C@H](Sc1nncn1C)C(=O)N1CCC[C@@]2(NC(=O)c3c[nH]c(Br)c3)CCC[C@@H]12 |
CC(C)C(=O)N(C)CC(=O)NCCCCNC(=O)C1(C)C[C@H]2C[C@@H]2C1 |
CCS(=O)(=O)CC(=O)NCCCN(C)C(=O)c1cnc(NC2CC2)s1 |
C#CC[C@](C)(NC(=O)[C@H](C)OC)C(=O)N[C@H](C)C1(CO)CC1 |
CCc1cc(C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)CCCC2CCCC2)n(C)n1 |
CCCCN1CCCC[C@@H]1C(=O)NC/C=C/CNC(=O)c1cc2ccccc2s1 |
CCCN(C(=O)c1csc(C(F)F)c1)[C@@H]1CCN(C(=O)CNC(=O)NC2CC2)C1 |
CN(C[C@@H](O)CNC(=O)CC1CC(OC(C)(C)C)C1)C(=O)C(F)(F)C(F)F |
CSc1cc(F)ccc1C(=O)N[C@H]1C[C@H](NC(=O)c2ccncc2O)C1 |
CN1C(=O)C[C@@H](NC(=O)/C=C/CC(C)(C)NC(=O)Cn2cc(CO)nn2)C1=O |
C=CCCC[C@@H](NC(=O)[C@H]1CCN(C(=O)C2CC(C3CC3)C2)C(C)(C)C1)C1CC1 |
CC[C@]1(C(=O)NCC(C)(C)C(C)(F)F)CCN(C(=O)c2ccc3cncn3c2)C1 |
C/C=C/C[C@@H](CC)C(=O)N1C[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C)cc34)[C@@H]2C1 |
CC(=O)NCCC(=O)N[C@@H]1CN(C(=O)c2cccc(NS(C)(=O)=O)c2)C[C@H]1F |
CC(C)[C@@H](CC(=O)N(C)[C@H](C)CNC(=O)c1cc(Cl)cs1)c1ccon1 |
C[C@@H](CC(=O)NC12CC(NC(=O)[C@@H]3OCCC3(C)C)(C1)C2)C(F)(F)F |
O=C(c1ccc(CO)s1)N1CCC2(CC1)CN(C(=O)[C@@H]1C(F)(F)C13CCC3)C2 |
C=CCCn1cc(C(=O)N[C@H]2CCC[C@H](NC(=O)[C@H](C)C(C)(C)C)C2)nn1 |
Cc1nc(C(=O)N2C[C@H]3CC(NC(=O)CCCC(=O)NC(C)C)C[C@@H]3C2)c(C)o1 |
C[C@@H](NC(=O)C=CCF)[C@@H](CO)NC(=O)C1=CC=NC=C1Cl |
CN(C)C1(CC(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(N)c(N)n2)CCCC1 |
CN(C)CCC(=O)N1CCC[C@@](F)(CNS(=O)(=O)CCBr)C1 |
COc1cc(Cl)cc(C(=O)N[C@H]2CCSC23CN(C(=O)C[C@H](C)CN(C)C)C3)c1 |
COC[C@]1(CNC(=O)c2scnc2C)CCCN1C(=O)[C@H]1Cc2nnc(C)n2C1 |
CN(CCCN(C)C(=O)CC1CC=CC1)C(=O)COc1ccc(Cl)c(F)c1 |
COC(=O)C12CC(C(=O)N(C)[C@H]3CN(C(=O)c4ccc(CO)s4)CC3(C)C)(C1)C2 |
C#CCC1(C(=O)N[C@H]2CCN(C(=O)c3cc(C)n(C(C)C)n3)C[C@@H]2O)CC1 |
Cc1nccn1CCCN=c1nc(-c2ccccc2)nc(N2CC[C@H]3C[C@H]3C2)[nH]1 |
Cc1n[nH]cc1C(=O)NC[C@H]1CN(C(=O)c2c[nH]c3c(F)cccc23)CC[C@H]1C |
CCCC(=CC(=O)NC[C@@H]1CCN(C(=O)Cn2cnccc2=O)C[C@@H]1C)CCC |
CO[C@](C)(CNC(=O)CCCSC)CNC(=O)[C@@H]1CC12CCC(=O)CC2 |
C[C@H](C(=O)N[C@H]1CCCN(C(=O)C2=CCCOCC2)C1)N1CCN(C)CC1 |
CCOC(=O)c1cc(CNC(=O)c2ccc(NC(C)=O)cc2Cl)nn1C |
CCNC(=O)C(=O)N(C)[C@@H]1CCCN(C(=O)[C@]2(C3CC3)CCCO2)CC1 |
C#Cc1ccc(C(=O)N2CCC[C@H](CCNC(=O)c3n[nH]c(=N)[nH]3)C2)nc1 |
CCC(C)(C)C(=O)NCc1ocnc1Cn1cc(-c2cc(Cl)c(Cl)c(Cl)c2)nn1 |
C=C1CC(C(=O)N2[C@H](CNC(=O)Cc3cnc(C)s3)C[C@@H]3C[C@@H]32)C1 |
CCc1cc(C(=O)N[C@@H]2CN(C(=O)[C@H](CC(C)C)N(C)C)C(C)(C)C2)ccc1Cl |
C=CCCOCC(=O)NC[C@H]1C[C@H]2CC[C@H]1N2C(=O)CCn1ccnc1 |
CC(C)CC(=O)N[C@H](C(=O)NC[C@H](F)CNC(=O)Cn1cnnn1)C(C)C |
C[C@@H](CSCc1ccccc1)NC(=O)NCc1ccc(Br)cc1Br |
Cc1nc(OC(C)C)ccc1-c1cn2cnc(C(=O)NC[C@@H]3CCCCO3)c2s1 |
C#C[C@H]1C[C@H]1C(=O)N(C)CC(C)(C)CNC(=O)c1cnc2[nH]cnc2c1 |
CCC(=CC(=O)N1C[C@@H]2C[C@H]1[C@H](N(C)C(=O)C1=Cc3ccccc3[C@@H]1O)C2)CC |
CCOC1CC(N(C)C(=O)C[C@H]2C[C@H]2CNC(=O)CCC(=O)CC)C1 |
CCOCC(=O)N1C[C@@H]2C[C@H](NC(=O)c3ccc(CC)c([N+](=O)[O-])c3)[C@H]1C2 |
C[C@@H]1OCC[C@H]1CC(=O)N1CC[C@H](C(=O)NCC[C@@](C)(O)C2CC2)C[C@@H]1C |
CCc1ncccc1C(=O)N1C[C@H]2CCN(C(=O)[C@@H](O)CC)[C@@H](C2)C1 |
Cc1nocc1C(=O)N1CCC[C@@]12CCN(C(=O)c1ccc(N)c(Cl)c1)C2 |
CNS(=O)(=O)CCC(=O)N1CC[C@H](NC(=O)C#CC2CC2)[C@H]1C(C)(C)C |
C=CCCOCC(=O)NC[C@H]1CC2(CO1)CN(C(=O)[C@H]1CCN(C)C1)C2 |
C[C@@H]1CCN(C(=O)CONC(=O)OC(C)(C)C)CCN1C(=O)c1cnc[nH]1 |
CN1CC(CC(=O)N2CCN(C)C[C@H]2CNC(=O)c2cccc(NC(N)=O)c2)C1 |
CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@@H]2CC[C@@H](NC(=O)C(C)(C)C3CCC3)[C@@H]21 |
C=CC=CCC(=O)N1C[C@@H](NC(=O)CN(C)CCOC)C[C@@]12CCOC2 |
C=CCCCC(=O)N1CC[C@@]2(CNC(=O)Cc3c(C)nc(O)nc3O)CCC[C@@H]12 |
C[C@@](CCCl)(Nc1ccc2c[nH]nc2c1)c1nnnn1CCCC1CC1 |
CCCCSCC(=O)N1CCC[C@]2(CNC(=O)c3cnns3)CCC[C@@H]12 |
CCc1nc(C(=O)N2C[C@@H]3C[C@H](C2)CN(C(=O)c2ccnn2CCF)C3)c(C)o1 |
Cc1nccnc1C(=O)N1C[C@H](O)C[C@H]1CNC(=O)CCc1ccc(Cl)c(Cl)c1 |
Cc1nc(C)c(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)[C@H]3C2)nc1C |
O=C(c1ccnn1CC1CC1)N1CC2(CCN2C(=O)CCc2cccnc2F)C1 |
CCCN(CCNC(=O)[C@]1(F)CCOC1)C(=O)CCCOC1CCOCC1 |
CN1CCC[C@H](CC(=O)N2CC[C@H]3CCN(C(=O)C45CC(CO)(C4)C5)[C@H]3C2)C1 |
CN(CCOC1CC1)C(=O)NCC1CCN(c2ncnc3[nH]ccc23)CC1 |
Cc1cc(CC(=O)N2CC[C@@]3(CCCN(C(=O)c4[nH]cc(C)c4C)C3)C2)no1 |
COC(C)(C)C(=O)N[C@@H]1CCC[C@H](CN(C)C(=O)c2nccc3[nH]ccc23)C1 |
C=C1CCC(C(=O)N[C@@H](C)CC2CN(C(=O)C=CCN(C)C)C2)CC1 |
Cc1cc(C(=O)NC[C@@]23CC[C@@](NC(=O)CCc4cnoc4)(CO2)C3)ccc1F |
COc1ccccc1[C@@H](OC)C(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1 |
C#C[C@@]1(C(=O)N2CCN(C)C(=O)C2)CCN(C(=O)[C@H]2CCCC[C@@H]2O)C1 |
CCCCCC(=O)NCc1ccccc1CNC(=O)CCn1cnccc1=O |
COc1ccc(C(=O)NC23CC(CNC(=O)[C@]4(C)CC4(F)F)(C2)O[C@@H]3C)c(Cl)c1 |
CCCN(C(=O)Cn1nccn1)[C@H]1CCN(C(=O)c2cc3cc[nH]c(=O)c3s2)C1 |
CC1(O)CN(C(=O)C2(c3ccc(-c4cnn(C(F)F)c4)cc3)CCC2)C1 |
C=C(C)c1cncc([C@H](NC[C@@]2(C)CCCC2(F)F)c2nnnn2C2COC2)c1 |
COc1cc(Br)c(CN[C@@H]2CC[C@@H](C(=O)N3CCC[C@@H](C#N)C3)OC2)c(OC)c1 |
COC(=O)CCCN[C@H](c1ccc(C#N)cn1)c1nnnn1C1(C)CC1 |
CCC[C@H](F)C(=O)N(C)[C@@H]1CCC[C@@H](NC(=O)CNC(=O)c2ccoc2)C1 |
COc1ccc(Cl)c(-n2cc(CCC3CN(C(=O)CCF)C3)nn2)c1 |
C[C@H]1CC[C@H]1C(=O)NCCN(C)C(=O)c1ccc(F)c(Br)c1 |
COC12CCC(C(=O)NC[C@@H](C)CN(C)C(=O)c3csc4c3CCCC4)(CC1)C2 |
COC[C@@H]1CN([C@@H](C(=O)N[C@H]2CCOC2)c2ccnc(F)c2F)CC12CCCC2 |
COC(=O)c1cc(C(=O)N2CC3(C2)CN(C(=O)[C@@H](NC(N)=O)[C@H](C)O)C3)ccn1 |
COC[C@@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CCc2ccc(C)c(C)c2)C=CCC1 |
CCC[C@@H](CC)C(=O)NCCCN(CC)C(=O)c1ccc(-n2cccc2)nc1 |
CC(=CC1CC1)C(=O)NC[C@H]1C=C[C@@H](NC(=O)c2ncsc2C2CC2)C1 |
C=C(C)COCC(=O)N1CCN(C(=O)[C@@H]2C3C[C@@H]4C2[C@@H]4C3)C[C@H]1C(C)C |
Cc1cc(N2C[C@@H](C(=O)N3CCOC[C@]34COCCN(C)C4)CC2=O)ccc1F |
C[C@@H](CC(=O)NCC1(C)CCN(c2cc(=O)n(C)c(=O)n2C)CC1)CC(C)(C)C |
C=CC(C)(C)C(=O)NC[C@@H](CC1CC1)C(=O)NC[C@@H]1CCN(CCC)C1 |
C[C@]1(CNC(=O)c2cc(F)c(Cl)cc2F)CCN(C(=O)[C@@H](F)[C@@H]2CCOC2)C1 |
COC(=O)C1(n2cc(CO)nn2)CN(C(=O)C[C@H]2COC(=O)N2)C1 |
C=C[C@@H]1CC[C@H]1C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)COCCCCCC |
C[C@H]1CN(C(=O)c2cscc2F)CC[C@H]1NC(=O)Cc1cc(C2CC2)no1 |
CSc1ccccc1OC[C@H](O)CNC(=O)N(C)Cc1cccc2cccnc12 |
COC1(CNC(=O)CN2C[C@H]3C[C@@H]3C2)CN(C(=O)c2cc3c(cn2)COCC3)C1 |
C[C@@H](CNC(=O)c1cc(Br)cc(Br)c1)NC(=O)c1cnsn1 |
C[C@@H](CNC(=O)c1ccc(-n2cccn2)nc1)N(C)C(=O)C[C@H](C)C(C)(C)C |
CCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)C=Cc2nccs2)CC[C@@H]1C(F)(F)F |
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