smiles stringlengths 6 131 |
|---|
CN1C[C@@H](C(=O)N2CC[C@]3(C)CN(C(=O)[C@H]4CCc5nn[nH]c5C4)C[C@H]23)CC1=O |
CC#CCCC(=O)N1CCCC[C@@H]1CCNC(=O)c1cnc2c(c1)c(C)nn2C |
C[C@@H]1CC[C@H]1C(=O)NCC1(NC(=O)c2ccc(Cl)s2)CCC(F)(F)CC1 |
COCCCOc1cccc(NC(=O)C(=O)Nc2cnccc2C(C)C)c1 |
COc1sc(C(=O)NC[C@H]2CCC[C@@H]2NC(=O)c2ccoc2)cc1Br |
CC(C)(CS(N)(=O)=O)C(=O)N[C@@H]1CCCN(C(=O)C2CC(=C(F)F)C2)C1 |
Cc1ccncc1[C@H](C)NCC[C@@](C)(O)C1CCCCC1 |
N=c1[nH]c(NC2CC(F)(CNC(=O)c3csc(CO)n3)C2)ncc1[N+](=O)[O-] |
CS[C@H]1C[C@H](CC(=O)N2C[C@H](C)[C@@](C)(CNC(=O)[C@H](F)C(F)(F)F)C2)C1 |
CCCCC(=O)N1C[C@H]2[C@H](CC(=O)N3C[C@H](O)CC3(CC)CC)[C@H]2C1 |
C/C=C/CCCCC(=O)N(C)CCCCC(=O)NCC1(C)CC(C)(C)C1 |
CC(C)CC(=O)NC1CC(CCNC(=O)[C@H]2CC[C@H](C(N)=O)CC2)C1 |
CC(C)n1ncc(C(=O)N[C@@H]2C[C@H]3C[C@H]2N(C(=O)c2cc(N)cc(O)c2)C3)c1Cl |
O=C(NCCc1ccncc1F)[C@H](O)C1CN(C(=O)CCOCC(F)F)C1 |
CC(C)(C(N)=O)C(=O)N1CCC(NC(=O)/C=C/c2cnc3ccccc3c2)CC1 |
C[C@]1(NC(=O)c2cccc3occc23)CCN(C(=O)c2cccc(O)c2F)C1 |
CC(C)(C)COCC(=O)N1C[C@@H]2CC[C@H](C1)C2NC(=O)C(C)(C)CC(F)F |
C[C@H](C(=O)NC[C@]12C[C@H]1CN(C(=O)c1cc3c(nc1O)CCSC3)C2)N(C)C |
C[C@@H](CC1CCCCC1)NC(=O)CCN(CCO)C(=O)C1CC2(CC(O)C2)C1 |
C=CCCCCC(=O)N[C@H]1CCN(C(=O)C2(P(C)(C)=O)CC2)C[C@@H]1O |
Cc1ccnn1CC(=O)N[C@@H]1CCN(C(=O)c2cccn3[nH]c(=N)nc23)C[C@@H]1F |
FC1CCC(c2nc(CC3CCCC3)nn2-c2ccc(Br)cc2)CC1 |
CCCCSCC(=O)N1C[C@H](CNC(=O)[C@H]2CN3CCC2CC3)C[C@@H](C)C1 |
COc1c[nH]c(C(=O)N2CCC[C@](C)(NC(=O)[C@H](C)c3cnn(C)c3)C2)cc1=O |
CC[C@H](CC(=O)N1CCN(C(=O)c2coc(C(N)=O)c2)C[C@H]1CF)C1CC1 |
Cc1ccc(C=CC(=O)NC[C@@H]2C[C@H]2NC(=O)CCc2cn(C)nc2C)o1 |
COc1ccc([C@H](C)NC(=O)N2C[C@H](C)C(O)[C@@H](C)C2)cc1 |
CC[C@@H](O)C(=O)N[C@H](C)CNC(=O)CCS(=O)(=O)N1CCOCC1 |
Cc1ccc(CCC(=O)NC[C@H]2C[C@@H](NC(=O)c3cnc(C4CC4)o3)C2)cc1 |
Cc1c(C(=O)N2CCS(=O)(=O)C3(CCC3)C2)oc2ccc(Br)cc12 |
CN(CCN(C)C(=O)[C@]1(O)CCSC1)C(=O)Cc1ccc(Cl)c(Br)c1 |
COC(=O)c1cccc(NC(=O)[C@@H](CC2CCC2)N(C)C2CC=CC2)c1 |
CCc1nc(C(=O)NCCOCCN(C)C(=O)[C@@H]2CCCNC2=O)c(C)o1 |
NC(=O)CCCC(=O)N1CC[C@@H](NC(=O)c2cc(C3CC3)[nH]n2)[C@@H](CO)C1 |
O=C(NC1(CO)CN(C(=O)CCc2cccc(Cl)c2Cl)C1)c1cc(Cl)ns1 |
COCCCCC(=O)N[C@H]1CCCC[C@]12CCCN(c1nccc(C#N)n1)C2 |
C=CCCC[C@@H](NC(=O)[C@@H](C)C1CCC1)C(=O)N1CC(c2noc(C)n2)C1 |
CC[C@H](C(=O)N1CC2(C)CC1(C(=O)NC1CC(C)(CC)C1)C2)C(C)C |
Cc1cc(C)nc(C(=O)N[C@H]2CN(C(=O)C3(F)CCC3)C[C@H]2C#N)c1 |
O=C(N[C@@H]1CCCN(C(=O)CCc2ccccc2)C1)c1cnc(O)c(Br)c1 |
C[C@@H]1CN(C(=O)[C@@H]2Cc3c[nH]cc3S2(=O)=O)C[C@@H](C)S1 |
C=CC[C@]1(NC(=O)C[C@]23CCC[C@H]2C3)CCN(C(=O)c2ccc(C)c(C)n2)C1 |
CS[C@H]1C[C@H](CC(=O)N2CC[C@H]3CCCN(C(=O)c4sccc4C#N)[C@@H]3C2)C1 |
COc1cccc([N+](=O)[O-])c1NCCc1c[nH]c2cc(F)ccc12 |
C=C(C)CC(=O)NC[C@]12CC[C@@H]1CCN2C(=O)CCc1ccc(S(N)(=O)=O)cc1 |
CCc1cc2c(c(C(=O)N3CC(N(C)C(=O)Cn4cccnc4=O)C3)c1)OCC2 |
C#CCC1(C(=O)NCC2CC3(C2)CN(C(=O)c2oncc2C)C3)CC1 |
Cc1cc2ccccc2cc1C(=O)N1CC[C@H](NC(=O)c2cc(F)n[nH]2)C[C@H]1C |
O=C1CCN(C(=O)c2coc(Cl)n2)[C@H]2CCN(C(=O)[C@@H]3CC34CCC4)C[C@H]2N1 |
C#Cc1cncc(C(=O)N[C@@]2(C)CCN(C(=O)C3[C@@H]4COC[C@@H]34)C2)c1 |
C=C(C)C[C@H](NC(=O)C(C)(C)[C@H](C)NC(=O)CCC1(C)CC1)C(=O)OC |
CCC(C)=C(C)C(=O)NCc1nocc1C(=O)N[C@@H]1CCCN(C)CC1 |
C[C@H](O)CN(C)C[C@@H]1CCCCN1C(=O)Cc1n[nH]c2c1CCCC2 |
C[C@@H](NC(=O)[C@H]1CCCN1Cc1ccc(Cl)c(Cl)c1)C1CCOCC1 |
COC[C@@]1(C(=O)N[C@H]2CCCN(C(=O)c3cc(C(C)(F)F)on3)C2)CCOC1 |
CCN(C(=O)CCNC(=O)C1CC2(CC[C@@H]2O)C1)[C@H]1CCC(=O)NC1 |
COc1ccc(F)c(C(=O)N2C[C@@H](F)C[C@@H]2C(=O)N[C@H](C)c2ccccc2Cl)c1 |
Cc1nc(C(=O)N[C@@H]2CN(C(=O)[C@@H](F)OC(F)(F)F)CC[C@@H]2C)c2ccnc-2[nH]1 |
C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC(=O)N(C)C)C1)C(F)(F)F |
O=C(N[C@@H]1CCCCC[C@H]1O)[C@H]1CCN(C(=O)COCCF)CCO1 |
CCCC[C@H](CNC(=O)c1cc2n(n1)CCCO2)NC(=O)CC1(CC)CCC1 |
O=C(C=C1CCC1)N[C@@H]1C[C@H]2C[C@@H](NC(=O)c3cccc(C4(O)COC4)c3)[C@H]2C1 |
Cc1nc(C)n(O)c1C(=O)N[C@H]1COCCN(C(=O)Cn2c(C)csc2=O)C1 |
CCN(C[C@H](C)NC(=O)C(C)(C)c1ccc(Cl)s1)C(=O)c1cnc(C2CC2)nc1 |
CCCC[C@H](C)NC(=O)C1(CCNC(=O)[C@H]2C[C@@H]2C(=O)OCC)CC1 |
CCC(CC)(CO)C(=O)N[C@H]1CN(c2cc(Cl)nc(C3(C)CC3)n2)CC[C@H]1C |
Cc1c(C(=O)N[C@H]2CC[C@@H](NC(=O)[C@@H]3COC(=O)C3)CC2)ccn1C(C)C |
O=C(NC[C@]1(O)CC2CCC1CC2)N[C@H](c1c(Cl)cccc1Cl)C1CC1 |
Cc1nn2c(C(F)(F)F)ccnc2c1S(=O)(=O)N[C@H]1C[C@H](c2ccccc2C)C1 |
Cn1cnc(C(=O)N2CCCC[C@@H]2CCC(=O)N[C@@H]2CC(F)(F)C2(C)C)n1 |
CCS(=O)(=O)NCC(=O)N1C[C@@H](O)C[C@H](NC(=O)c2n[nH]cc2C(F)(F)F)C1 |
CO[C@H](C)C1CN(C(=O)[C@H](Cc2cnc[nH]2)NC(=O)C=Cc2ccoc2)C1 |
CCOc1ccccc1C(=O)NCCCN(C(=O)CCc1ncccn1)C(C)C |
CN(C(=O)CCCC1CCCC1)C1CC(C(=O)NC[C@@H]2CC=CCC2)C1 |
CN=c1[nH]cc(C(=O)N2CC[C@@H](CC(=O)N(C)[C@@H](C)C(=O)OC)C2)o1 |
CC[C@H](C)[C@H](C(=O)N(C)C[C@](C)(CC)OC)N(C)C(=O)c1cccc(=O)o1 |
C=C(Cl)C[C@H](NC(=O)C=CC(=O)N(C)C)C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O |
C#Cc1ccc(C(=O)N2CC[C@H](C(=O)N[C@@H](C)c3cnc(C)s3)[C@H](C)C2)o1 |
CCC(C)(CNC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(C(=O)CC(C)(C)C)[C@H]1C |
Cc1cc(Cl)c(Cl)cc1C(=O)Nc1sc(-c2ccc(SC(F)(F)F)cc2)nc1C |
COCCOCCC(=O)N1CCC2(CC1)CN(C(=O)c1cc(Cl)sc1Cl)C2 |
C=C=C[C@H](C)C(=O)N1CC2(CC(NC(=O)[C@@H]3Cc4ccc(OC)nc4N3)C2)C1 |
CCCc1occc1C(=O)N[C@@H]1[C@@H]2CC[C@H]1N(C(=O)c1n[nH]c3c1C[C@H]1C[C@@H]31)C2 |
CC1(C)CC[C@H](C(=O)N[C@@H]2CN(C(=O)CCn3cccnc3=O)CC2(C)C)CO1 |
CCc1nonc1C(=O)N[C@@H]1CN(C(=O)c2cn(CC(=O)N(C)C)nn2)C[C@H]1O |
CSCCOCC(=O)N[C@@](C)(C(=O)N[C@@H](C)c1csnn1)C1CCC1 |
O=C(c1ccc2nc(CO)[nH]c2c1)N1CCS[C@@H](C(=O)N2CCO[C@@H](O)C2)C1 |
C=CCCN=C(NC[C@H]1CC(=O)N(CCC)C1)N1CCC[C@](OC)(C(F)(F)F)C1 |
CN1CCN(C)[C@]2(CCCN([C@H](C(=O)NC3CCC3)c3cccc(Cl)c3Br)C2)C1 |
N#Cc1ccnc(N2[C@H]3CN(S(=O)(=O)c4cccc5ccccc45)C[C@H]32)n1 |
C[C@@H](C(=O)N1C[C@@H]2C[C@H](C1)CN2C(=O)C1CC2(C1)CC(C)(C)C2)[C@@H](C)S(C)(=O)=O |
CCCc1[nH]ccc1C(=O)NCCCN(C)C(=O)C1(c2cccs2)CC1 |
C[C@H](C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C[C@H]1O)C1CCCC1 |
C[C@H](Cc1cnccn1)NC(=O)NCCc1cccc2c1OC(F)(F)O2 |
C=CCn1cc(C(=O)NC[C@]23CC[C@@H]2CCN3C(=O)c2ccc(F)c(O)c2)nn1 |
C=C[C@@H]1CC[C@H]1C(=O)NC1CCN(C(=O)c2cn3ccnc3cn2)CC1 |
C#Cc1cccc(C(=O)N2CCOC[C@@]23COCCN(C)C3)c1F |
CO[C@H](CC(C)C)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1ccnc2c1CC(=O)N2 |
Cc1nccn1CCC(=O)N[C@@H](C)CCN(C)C(=O)C1CC2(C1)C[C@@H]2F |
COc1cnnc(C(=O)N[C@H]2CC[C@@H](NC(=O)c3cc(C(F)(F)F)ccn3)C2)c1 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.