smiles stringlengths 6 131 |
|---|
COc1ccc(C(=O)N2C[C@H](F)[C@H](NC(=O)C3CC(C4CC4)C3)C2)cn1 |
C#CCOCC(=O)N[C@H]1CC[C@@H](C(=O)N2CCC(OCCC)CC2)C1 |
C[C@@H](CNC(=O)CNC=O)CN(C)C(=O)CN1CCCNS1(=O)=O |
CC[C@H](C)OCC(=O)N(C)CC1CN(C(=O)[C@H]2CCC[C@@H](C(N)=O)C2)C1 |
CSCCN(C)c1[nH]c(=NC[C@@H]2CCSC2)nc2c1ncn2C(C)C |
Cc1nc2cc(NC(=O)CCC(=O)N3CC(CN(C)C)C3)ccc2o1 |
C#CC[C@H](C)C(=O)N[C@@H](C)CCNC(=O)[C@H](C)Oc1cccc(F)c1 |
CCC(C)(C)[C@H](O)C(=O)NCCC1(C(=O)N(C)C2C[C@H](C)C[C@@H](C)C2)CC1 |
Cc1ccccc1CCNC(=O)[C@]1(CNC(=O)c2nnn(C)c2C)CC12CCC2 |
C#CCC[C@H](O)C(=O)N[C@H](CNC(=O)COCc1ncc(C)o1)CC(C)C |
CC(=O)NC1(CC(=O)N[C@@]23C[C@@H]2CN(C(=O)c2ncc(C#N)cc2C)C3)CC1 |
CC(C)CCN(C1CCCC1)[C@@H](CCc1ccsc1)C(=O)NC(C)(C)C |
Cc1cccn2nc(C(=O)NCCCCCNC(=O)[C@]3(C(C)C)CCCO3)cc12 |
CS[C@H](C)CCNC(=O)COC(C)(C)CNC(=O)c1c(C)nsc1C |
CCCOCC(=O)N1CC(O)(C2(CNC(=O)[C@@H](C)O[C@@H]3CCOC3)CC2)C1 |
CC/C=C/C[C@H](C)C(=O)N1CCC[C@@H](CC(=O)N[C@H]2C[C@@H]2c2ccn(C)n2)C1 |
CN(CC[C@H](NC(=O)c1ncc[nH]c1=O)C(C)(C)C)C(=O)[C@@H](O)C1=CCCCC1 |
Cc1nc(-c2c[nH]cc2C(=O)NCCN(C(=O)CSC(F)(F)F)C2CC2)cs1 |
CCNC(=O)CN(C)c1nc(=NC[C@]2(OC)CCC[C@@H](C)C2)[nH]c2c1CSC2 |
CCCc1c(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](C)N2CC(C)C2)nnn1C |
COC1(C(=O)NCc2nnc(C)o2)CCN([C@H]2CCc3ccccc3C2)CC1 |
CCc1cccnc1C(=O)NCC12COC(CNC(=O)[C@]3(C)CCCOC3)(C1)C2 |
CC[C@@H](CNC(=O)[C@@]1(Cl)CC1(F)F)NC(=O)C1(CC(=O)OC(C)(C)C)CCC1 |
CC(C)C[C@H](NC(=O)NCC[C@@H](C)[S@@](C)=O)C(=O)Nc1ccccc1 |
CNC(=O)CCC(=O)N[C@@H](CNC(=O)[C@H]1CCCCS1)C(C)(C)C |
CC(=O)N[C@@](C)(CO)C(=O)N1CC[C@@](C)(NC(=O)Cc2cccc(C(C)C)c2)C1 |
CC[S@@](=O)CC(=O)NCC(C)(C)CN(C)C(=O)c1ccn(C)c1C1CCC1 |
C[C@@H]1OCC[C@H]1N1CC(Cc2ccccc2)(C(=O)NCCS(C)(=O)=O)C1 |
CCC[C@H](C)CC(=O)NC1(C(=O)NC[C@@]23CC[C@@H](CO2)C3)CCCC1 |
CCC[C@H](O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](CNC(=O)c1ncccc1C1CC1)C2 |
CC=C(C=CC(=O)N[C@@H]1CC[C@@H]2CN(c3ccnc(CO)n3)C[C@H]2C1)CC |
C=C1C[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C[C@H]1C |
CN(C)Cc1ccc(C(=O)NC[C@@H](O)CN=c2c(C#N)c[nH]c3ccccc23)[nH]1 |
CC=CCCC(=O)N[C@]1(C)C[C@@H](NC(=O)c2cnn(C)c2Br)C1 |
Cc1nccn1CC(=O)N[C@@H](C)CCC(=O)NC[C@@H]1CCCC12CCC2 |
Cc1cc(C)c(CC(=O)N2CCN(C(=O)[C@@H](C)S)CC2)c(C)c1 |
COc1cc(Br)c(COC(=O)[C@H]2CCc3nn[nH]c3C2)cc1F |
C=CCC(=O)N(C)CC[C@H](NC(=O)c1csc(Br)n1)C(C)(C)C |
COC(=O)C1(NC(=O)[C@@]23C[C@@H](CO2)N(C(=O)C#CC2(C)COC2)C3)CC=CC1 |
COCCC1CN(C(=O)[C@@H](CCOCCO)NC(=O)C2C(C)(C)C2(C)C)C1 |
C[C@@]1(C(=O)N2C[C@@H](O)[C@H](CNC(=O)CSCC(N)=O)C2)CCCCC1(F)F |
C[C@@H]1CCO[C@H]1CC(=O)N(C)CCN(C)C(=O)c1nn(C(F)F)cc1Cl |
CC(=O)Nc1cnccc1C(=O)N1CCCCC[C@H](NC(=O)[C@@]2(C)CCOC2)C1 |
Cc1n[nH]cc1-c1csc(NC(=O)c2nn(C)c3ccc(Br)cc23)c1 |
C[C@H](C(=O)NC[C@H]1C[C@@H](O)CN1C(=O)Cc1cnns1)N1CCP(C)(=O)CC1 |
CN(C(=O)[C@H]1CCS(=O)(=O)C12CCC2)[C@H]1CCCN(C(=O)c2cc(Cl)ns2)C1 |
CSC(C)(C)/C=C/C(=O)NC1CC2(CCN(C(=O)C=Cc3sccc3C)CC2)C1 |
CC(=O)N1CCC[C@](O)(C(=O)N2[C@H]3CC[C@@H]2CN(C(=O)Cc2ccn(C)n2)C3)C1 |
Cc1cnoc1C(=O)N1CC[C@@H](n2cc(CNC(=O)Cn3nnc(=O)[nH]3)nn2)C1 |
COCCC[C@@H](C)C(=O)N1C[C@H](C)C[C@@H](NC(=O)CCn2ccnc2C)C1 |
COCC[C@@H]1CCN(C(=O)[C@@H](CNC(=O)CSCC(N)=O)CC2CC2)C1 |
N#CC1(NC(=O)[C@@H]2CCN2C(=O)CCc2ccc(Cl)cc2Cl)CCOCC1 |
CC(=O)N1CC[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)c2nc(Br)c(C)s2)C1 |
Cc1cccc(C(=O)N2CCC[C@@H]2CNC(=O)c2ccnc(C(F)(F)F)c2N)n1 |
CC[C@]1(C)CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C[C@H]2COC3CC2C3)O1 |
COCC1(CNC(=O)[C@H](CCSC)NC(=O)[C@H](OC)C(C)C)CCC1 |
Cc1nnc(N2CCC3(CCN(C(=O)[C@H]4Cc5ccccc54)CC3)C2)nc1C |
CCOC[C@@H](NC(=O)[C@@H]1CCN(C)C1=O)C(=O)N[C@H](C(=O)NC)C1CC1 |
CO[C@H](CCNC(=O)c1cccnc1C)CNC(=O)[C@H]1CNC(=O)N1 |
CC[C@H](OC1CCCCC1)C(=O)NCC1(O)CN(Cc2ccc(Br)c(F)c2)C1 |
CN(C)C[C@H](C(=O)NCC1CN(C(=O)C[C@H]2CCCNC(=O)C2)C1)N(C)C |
O=C(c1ccc([C@@H](O)CF)cc1)N1CC=CC1 |
Cc1nc(COc2ccc(C(=O)N(Cc3cccnc3)C(C)(C)C)cc2)no1 |
Cc1ccc(CC(=O)N[C@]2(C(=O)NCCN3C[C@H]4C[C@@H]4C3)CCC(C)(C)C2)o1 |
COC[C@H](O)CN(C)C(=O)[C@H]1CCOC[C@H]1NC(=O)[C@H](C)CN(C)C |
C[C@@]1(CNC(=O)[C@H]2CN(C(=O)[C@H](F)c3ccccc3)C[C@@H]2C2CC2)CNC(=O)O1 |
C=C=C(C)CC(=O)N1CCC[C@@H]1C(C)(C)CNC(=O)[C@H](CCC)N(C)C |
CCC1(C(=O)N2CC(NC(=O)C(F)(F)c3cc(F)ccc3C)C2)CCCCC1 |
CSCC(=O)N[C@H]1CCCC12CCN(C(=O)c1cnc(O)c3ccsc13)CC2 |
CCCN(CCNC(=O)CCCCC(F)F)C(=O)c1csc(Br)c1C |
Cc1cn(C)cc1C(=O)N[C@H]1COC2(C1)CN(C(=O)CN(C)c1ccncc1)C2 |
C[C@H]1C[C@@H](C)[C@@H]1C(=O)NC1CC2(C1)CN(C(=O)c1csc(S(C)(=O)=O)c1)C2 |
Cc1[nH]c(=N)sc1C(=O)N1CCC2(CC1)C[C@@]2(C)C(=O)N(C)Cc1cscn1 |
Cc1cc(Br)cc([C@@H](C(=O)NC2COC2)N2CC[C@@]3(CCCN(C)C3)C2)c1 |
COC(=O)c1sc([C@@H](C(=O)Nc2ccccc2C)N(CC(F)F)C2CC2)cc1Br |
Cc1cccc(C=CC(=O)N2CC(O)(CNC(=O)c3cccc(C)c3C)C2)c1 |
CCSc1cccnc1C(=O)N[C@H]1CN(C(=O)CN(C)[C@@H]2CCSC2)C[C@H]1C |
O=C(CCN1CCCCCC1)NC1CCN(C(=O)COC[C@H]2CCCCO2)CC1 |
O=C(CNc1ncccn1)NC[C@@H](CO)NC(=O)CCc1ccncc1Br |
CC1(C(=O)N2CCO[C@@H](CNC(=O)CCC(=O)N3CCOCC3)C2)CC(C#N)C1 |
C[C@@]1(C(N)=O)CCN(C(=O)[C@@]23CC[C@@H](CN(C(=O)[C@@H]4C=CCS4)C2)C3)C1 |
CN1CCC(CC(=O)N(CCO)[C@H]2CCN(C(=O)[C@](C)(F)C(C)(C)F)C2)CC1 |
Cc1c(CN2CCC[C@H](NC(=O)C(C)(F)F)C2)[nH]c2ccccc12 |
CC(C)c1nnnn1CC(=O)N[C@H](C)[C@H]1CCCN(CC[C@H]2CCC[C@@H](C)C2)C1 |
CC(=O)CCN=C(NCCN(C)C1CC1)N1CC[C@@H](C)C2(CCC2)C1 |
CON(CCC(=O)N1C[C@H](C)OC[C@@H]1C)C(=O)Cc1ccnn1C |
COC(=O)c1ccc(C(=O)N2CC[C@@H](CCNC(=O)C3C[C@H]4C[C@@H]4C3)C2)c(Cl)c1 |
CC(C)CO[C@H](C)C(=O)NC[C@H](O)CN(C)C(=O)CCc1cnc(O)[nH]1 |
COCC1(NC(=O)[C@H]2C[C@@H](SC)C2)CN(C(=O)[C@H]2CCC[C@@H]2C)C1 |
CCc1ccc(C(=O)N2CCC([C@H](C)CNC(=O)c3cnc(C(N)=O)s3)CC2)[nH]1 |
CCCOc1cccc(CC(=O)N2CC[C@H](C)[C@@H](CNC(=O)[C@H]3CC(=O)N3)C2)c1 |
CCn1ncc(C(=O)NC[C@@H]2CN(C(=O)c3cn(C4CC4)nn3)CC[C@@H]2C)c1C |
CC[C@@H](F)C(=O)N1CC[C@](C)(CN=c2ccc([N+](=O)[O-])c(-c3ccccc3)[nH]2)C1 |
C[C@@H](OC(=O)c1cc(Cl)c(Cl)[nH]1)c1nc(-c2ccccc2)no1 |
CC1(C)[C@H]2CC[C@@H](C2)[C@H]1C(=O)NCCCOCCNC(=O)c1cc[nH]n1 |
COC(=O)C12CCC(C(=O)NCC[C@@H]3CCN(C(=O)C(=O)NC(C)C)C3)(CC1)C2 |
C[C@H](NC(=O)NNC(=O)c1cnc[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 |
CC(C)n1ncc(Cl)c1C(=O)NC[C@H]1CCCCN1C(=O)c1cn2ccnc2s1 |
CCc1cccc(C)c1NC(=O)[C@H](c1cc(F)cc(Br)c1)N(C)CC1CC(F)C1 |
CC[C@H](CSC)N(C)C(=O)[C@H]1C=CCN(C(=O)c2nc(C)c(C)s2)C1 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.