smiles stringlengths 6 131 |
|---|
CC(=O)NC1(CC(=O)N[C@@H](CNC(=O)Cc2occc2C)C(C)(C)C)CC1 |
CCn1ncc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@@H]1CCCCN1C(=O)Cc1ccno1 |
C[C@@H](O)[C@H](NC(=O)c1cn(C)c(=O)cn1)C(=O)N[C@@]1(C)CCC(=O)NC1=O |
N#CCC1CCN(c2nc3c(c(N4CC[C@H](c5cc(O)n[nH]5)C4)n2)CSC3)CC1 |
C#Cc1ccccc1NC(=O)[C@@H]1C[C@@H](C)CN1Cc1cc(Cl)cc(C(=O)OC)c1 |
CC(=O)N[C@H](CC1CCC1)C(=O)N1CCC12CCOCC2 |
c1ncn(CCc2nc(C3CC[C@H]4C[C@@H]4CC3)n(-c3ccc4c(c3)CCO4)n2)n1 |
O=C(NCc1ccc(-c2ccc3c(c2)CCCO3)cc1)[C@H](O)C1(O)CCCCC1 |
C[C@H](C(=O)N1CC(CN2CCN(C(=O)[C@H]3CCOC(=O)N3)CC2)C1)n1ccnc1 |
CC1=NS(=O)(=O)NC(C)=C1CCC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C3CCN2CC3)C1 |
COC(=O)[C@]1(C(=O)N2CC(CN(C)C(=O)C3(C4CCOCC4)CC3)C2)C[C@H]1C |
CCn1ccnc1CNC(=O)[C@@H]1CCCN(C(=O)C2=C(C)OCCO2)C1 |
Cc1ccc(Oc2ccc(OC(=O)CN(C)c3ccccc3)cc2)cc1 |
C[C@H](Cc1ccc(Cl)cc1)C(=O)NCC1(F)CN(C(=O)C2=NOC(C)(C)C2)C1 |
CSC[C@@H](C)NC(=O)N1CCO[C@@H](C(C)(C)C)C1 |
CC[C@@H](CC(=O)N1CC2(C1)CN(C(=O)[C@H](COC)CC(C)C)C2)c1ccccc1 |
Cc1cc(C(=O)N2CCCN(C(=O)c3ncc(F)cn3)CC2)nc2ccccc12 |
Cc1nonc1CNC(=O)[C@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](C)CC(F)(F)F |
Cc1nc(C)n(C[C@@H]2CCCN([C@H](C(=O)NC3CC3)[C@H]3[C@@H]4[C@@H]3CCC4(F)F)C2)n1 |
CC[C@@](C)(CO)C(=O)NCc1cccc(CN(C)C(=O)C[C@@H](C)N(C)C)c1 |
Cn1ccc(CCNC(=O)[C@H]2CC(C)(C)CCN2C(=O)[C@@H]2C=CCC2)n1 |
CCC1(C(=O)N2CCCN(C(=O)[C@H]3C=CCCC3)[C@H](C)C2)CC(C)(C)C1 |
CN1CCC[C@@H]1CC(=O)N[C@H]1C[C@@H](CCNC(=O)CN2CCc3ccccc32)C1 |
C[C@@H](Nc1nc(N2CCc3c(C#N)cccc3C2)nc2sccc12)[C@H]1CCOC1 |
Cc1nc(O)cc(C(=O)N[C@H]2CN(C(=O)C(=O)NCC3CC3)CC[C@H]2C)n1 |
O=C(c1nc(C(F)(F)F)cs1)N1CC[C@@H](N(CCO)C(=O)[C@@H]2C=CCC2)C1 |
CS(=O)(=O)CCC(=O)N[C@@H]1CCN(CCCNC(=O)C2CCC=CCC2)C1 |
Nc1cc(F)cc(F)c1C(=O)N1CCC(O)(C2(NC(=O)C3=CCSC3)CC2)CC1 |
C=C(C)C[C@H](NC(=O)C(C)=C1CC1)C(=O)N[C@H]1C[C@@H](O)[C@H](F)C1 |
CCOc1ccsc1C(=O)NC[C@@H]1CCN(C(=O)[C@H](F)C(C)(F)F)C[C@H]1C |
CCO[C@H](C(=O)N1CC[C@H]2[C@@H](C1)CN2C(=O)C1=NOC2(CCC2)C1)C(C)C |
C[C@@H](CNC(=O)c1cnc2cc[nH]c2c1)NC(=O)c1csc(-c2ccco2)n1 |
CC(C)(C)c1ccc(NC(=O)[C@]2(C)CCN(C(=O)[C@@H]3CCCO3)C2)cc1[N+](=O)[O-] |
Cc1nccnc1C(=O)NC[C@H]1C[C@H]2CC[C@H]1N(C(=O)C1(CF)CCOCC1)C2 |
CNc1ccc(C(=O)NC[C@@H]2C[C@H]2NC(=O)CC(C)(C)CN(C)C)cc1 |
CC[C@H]1C[C@@H]1C(=O)N1C[C@H](C2CC2)[C@@H](NC(=O)c2c(O)cccc2F)C1 |
CN1CCC[C@@H]1C(=O)N[C@@]12C[C@@H]1CN(C(=O)c1cccc(SCC#N)c1)C2 |
O=C(NC[C@H]1COCCN1C(=O)CCNC(=O)c1ccc(F)cc1)C1=CCSC1 |
C=C1C[C@@H]1C(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1ccc2c(O)nncc2c1 |
CCCCn1cc(C2CC(NC(=O)[C@H]3CCC[C@@H](C)C3)C2)nn1 |
Cc1cc(Cl)cc(C)c1OCCNc1ccnc2c(F)cccc12 |
CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NCc1csc(C)n1 |
CC(=O)N[C@H](C(=O)N(C)[C@H]1CCCN(C(=O)[C@]2(C)CCNC(=O)C2)CC1)C(C)C |
COc1cc(F)c([C@@H](C)N[C@H](C)c2ccc(Cl)cc2O)c(F)c1 |
CCOC(=O)C=CC(=O)N[C@@H]1C[C@@H](NC(=O)c2ccc(C)c(OC)c2)C12CCC2 |
COc1cc(C(=O)N2CCN(C(=O)c3nc(-c4ccccc4)sc3N)CC2)on1 |
C[C@]1(C(=O)N2CCC[C@@H](C3CCN(C(=O)C4=CCCC4)CC3)C2)C[C@H]2CC[C@@H]1O2 |
CC12CC(CC(=O)N[C@@H]3C[C@@H](CNC(=O)c4csc(C5CC5)n4)C3(C)C)(CO1)C2 |
Cc1c(C(=O)NCCCNC(=O)[C@@H](C)Cn2cccn2)cccc1S(N)(=O)=O |
C[C@@H]1CCN(c2ccc(C(=O)N3C[C@@H]4C[C@H]3[C@@H]4NC(=O)[C@H]3CCO[C@@H]3C)cc2)C1 |
C[C@@]1(NC(=O)[C@@]23CCC[C@@H]2C3)CCCN(C(=O)Cn2cc3ncccc3n2)C1 |
CCC[C@H](CC)C(=O)N[C@]12C[C@H]1[C@@H]1CC[C@H](C2)N1C(=O)c1ncoc1CC |
CN1CC(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](CNC(=O)c3ncc[nH]c3=O)C2)C1 |
C=CC[C@H](CC(=O)N(C)CC1CCCCC1)NC(=O)c1ncc(F)cc1C |
CN(C(=O)C1=CCCOC1)C(C)(C)CC(=O)N1CC[C@@H]1[C@H]1CCCOC1 |
CC[C@H](CC(=O)N(CCO)CCCNC(=O)C[C@@H]1CCCCCC1(F)F)SC |
N#Cc1ccc2cc(NC(=O)c3cc4cccc(Cl)c4cn3)ccc2n1 |
CC(C)(C)[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)c2cncn2C2CC2)C1 |
Cn1cccc(C(=O)N2CC(C)(c3cn(Cc4nc(C(N)=O)cs4)nn3)C2)c1=O |
C=CCC1(CC(=O)N(CCNC(=O)CCCCNC(N)=O)C[C@H](C)O)CCCC1 |
Cc1nonc1C[S@@](=O)Cc1nc(-c2ccccc2)nn1C |
CCN(CCN1CCCCC1)[C@H](C(=O)NC(C)(C)C)[C@@H]1C[C@H]2CC[C@H]1O2 |
CC(C)(CNC(=O)[C@@H]1CC[C@H](N=[N+]=[N-])C1)CC(=O)NCC12CCC(CC1)O2 |
O=C(O)[C@H](CCc1ccncc1)NS(=O)(=O)[C@H]1CCc2cc(Br)ccc2C1 |
CCN(C(=O)c1nn(CC)nc1C)C1CCN(C(=O)[C@H]2S[C@H]3C=C[C@H]2C3)CC1 |
CN(CC1(F)CCC1)C(=O)[C@@]1(C)CN(C(=O)C2CC=CC2)C(C)(C)C1 |
CS(=O)(=O)SCC(=O)N1C[C@H](CNC(=O)C[C@H]2C=CS(=O)(=O)C2)[C@H](C(F)(F)F)C1 |
CC=CC[C@H](NCc1ccc2oc(C(=O)OC)cc2c1)C(=O)OCC |
CCC(CC)CCCC(=O)N(C)CCCNC(=O)C[C@@H]1C(=O)N(C)N=C1C |
C#CC1(C(=O)N[C@H]2CC[C@H](C)CC2)CN(C(=O)C2Cc3ccccc3C2)C1 |
C=CCN(CC1CC1)C(=O)CCCCCn1cc(-c2csc(C)n2)nn1 |
CC1=CC(C)=NS(=O)(=O)N1CC(=O)NCC1CN(C(=O)CCc2nc(C)no2)C1 |
CC(C)Cc1ccc(C(=O)N2CCC[C@@H]2CNC(=O)/C=C/C(F)(F)F)s1 |
Cc1nc(C)c(C(=O)N(C)C[C@@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[nH]1 |
COCCC=CCNC(=O)[C@@H](CCF)NC(=O)c1cccn2ccnc12 |
CCc1ccccc1C(=O)N1CC(CC)(C(=O)NCCC2(C)CC2)C1 |
CCN(C[C@@H](C)NC(=O)c1cocc1C(=O)OC)C(=O)c1ccc([S@](C)=O)cc1 |
CC(C)c1ccc(C(=O)NC[C@]2(F)CCCN(C(=O)[C@@H](O)C(F)F)C2)cc1 |
C#C[C@](C)(NC(=O)[C@H](O)[C@H](CCC)NC(=O)CCC(=O)NCCC)C1CCCC1 |
CC(=Cc1cccs1)C(=O)N1CCC[C@@H](NC(=O)c2sccc2CC#N)C1 |
CO[C@@H](C(=O)NCCc1cc(C(=O)N2CCO[C@H]3CCOC[C@@H]32)no1)C1CCC1 |
C#CCCOCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(C)nc2NC)C12CC2 |
C[C@@H]1C[C@@H](NC(=O)Cc2cn[nH]c2)CCN1C(=O)C[C@](C)(O)C1CC1 |
CC(=CC(=O)N[C@@H]1CCN(C(=O)C[C@H](C)c2ccncc2)C[C@@H]1F)c1ccco1 |
CCc1noc(-c2nc(-c3cscn3)nn2C[C@@H]2CCCOC2)c1C |
C/C=C/CCCCC(=O)N1CC[C@@H]1CC(=O)N1CC2(CC[C@H]1CO)CC2 |
CSc1snnc1C(=O)N1CCC([C@@H](C)NC(=O)C(C)=Cc2cccs2)CC1 |
C[C@@H](C(=O)N(C)CC(CO)(CO)NC(=O)CC(C)(C)CN(C)C)[C@@H]1CCC(=O)N1 |
CC(C)OC1(C(=O)N[C@H]2C[C@@H](C(=O)NCc3ccnc(F)c3F)C2)CCC1 |
CCO[C@H](CC)C(=O)N[C@H]1CCN(C(=O)Cn2cnc3sccc3c2=O)[C@H](C)C1 |
CCc1noc(CCC(=O)N2CCCO[C@@H](CNC(=O)CCC(=O)NC)C2)n1 |
C#CC[C@H](O)C(=O)N[C@@H](C)CCN(C)C(=O)c1coc(C(F)F)n1 |
O=C(N[C@@H]1CN(C(=O)C=C2CCCC2)C[C@@H]1O)C1CC(N2CCOCC2)C1 |
CCN(C[C@@H](C)NC(=O)c1ccc(C(N)=O)nc1)C(=O)c1cc(=O)c(OC)c[nH]1 |
CC(=O)[C@H]1C[C@@]1(Cl)C(=O)NCc1cccc(CNC(=O)C=CCO)c1 |
Cn1nc(C(=O)N2CC[C@@H]3CN(C(=O)c4ccc(O)c(N)c4)C[C@@H]3CC2)cc1O |
COc1ccc(Cl)c(F)c1C(=O)N[C@@H]1CN(C(=O)Cn2cc(C)cn2)CC[C@H]1C |
CCc1cc(C(=O)N(C)CC2(CNC(=O)C[C@]34CCC[C@H]3C4)CC2)oc1CC |
Cc1ncc([C@H](C)NC(=O)C[C@@H](NC(=O)[C@H](F)C[C@@H]2CCOC2)C2CC2)s1 |
O=C(NCc1cccc(Br)c1)[C@@H](c1csnn1)N1CCC2(CCC(O)CC2)C1 |
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