smiles stringlengths 6 131 |
|---|
CO[C@@H](CNC(=O)[C@H](C)n1cccn1)CC(=O)N(CC1CC1)C(C)C |
C[C@@H]1C[C@H](C(=O)NC[C@@](C)(NC(=O)CC2CC(C)(C)C2)C2CCC2)CCN1C |
COc1ccc(C)cc1C(=O)NC1(CCNC(=O)C[C@@]23CCC[C@@H]2C3)CCC1 |
CC#C[C@@H]1CCN(C(=O)[C@@H]2C[C@H](C)N2C(=O)c2ocnc2CCC)C1 |
Cn1ncc2c(C(=O)N[C@@H]3CN(C(=O)[C@H]4COCCO4)C4(CCC4)C3)ccnc21 |
Cc1cnc(CC(=O)NC[C@@H]2CCN(C(=O)c3cc(Br)sn3)C2)o1 |
CCc1cccc(F)c1C(=O)NC[C@H](C1CC1)N(C)C(=O)CC12COC(C)(C1)C2 |
COc1n[nH]cc1C(=O)N1CC[C@](C)(NC(=O)c2ccc(Br)cc2N)C1 |
Cc1nc(C)c(CC(=O)NC[C@H]2N(C(=O)c3ncc(F)cc3F)CCC2(C)C)s1 |
C=CC/C=C/CCC(=O)N1CC[C@](C)(C(=O)N2CCCC[C@@](C)(F)C2)C1 |
O=C(COc1cccnc1)N1C[C@@H](NC(=O)[C@@]23C[C@@H]2[C@H](O)C3)CC[C@@H](O)C1 |
CCNC(=O)NCCNC(=O)c1[nH]ccc1CNC(=O)[C@H]1CC(=O)OC1(C)C |
Cn1cc(C(=O)NC[C@H]2C=CCN2C(=O)c2cccc(CCO)c2)c(C(F)F)n1 |
O=C(Cc1ccc(Br)cc1)NCC1(CCNC(=O)Cn2cncn2)CC1 |
CCCOc1c(OC)cc(CCNC(=O)C[C@H]2CCC3(CNC3)CO2)cc1OC |
C[C@@H](CCNC(=O)c1c[nH]c2nccc-2c1)CCNC(=O)C12CC(C)(CCO1)C2 |
COc1cccc(Cl)c1CC(=O)N1CC[C@@H]2CCN(C(=O)CN(C)C)[C@@H]2C1 |
CC(=O)c1ccc(C(=O)N2CC[C@H](C)[C@H](NC(=O)CC3CC=CC3)C2)s1 |
CC=C(C)C(=O)NCC1CN(C(=O)c2cn3c(n2)C[C@H](OC)CC3)C1 |
COC1(C#N)CC(C(=O)N2CCOC[C@H]2CC(=O)N(C)C2CCN(C)CC2)C1 |
COC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C(=O)Nc2ccsc2C(N)=O)c1 |
CCC[C@H](C(=O)N1C[C@H]2COC[C@@]2(C(=O)NC2(CC3CC3)CC2)C1)N(C)C |
CC(=O)N1CCc2c(NC(=O)[C@H](N)C3CCS(=O)(=O)CC3)cccc21 |
CC(=O)NCCN(C)C(=O)c1coc(CNC(=O)c2ccc(C)nc2O)c1 |
CCc1c(C(=O)N2CC(CCNC(=O)/C(Cl)=C/Cl)(OC)C2)nnn1CC |
Cc1cccn2c(C(=O)NCCCCN(C)C(=O)[C@@H]3CCC[C@H]3C(F)F)cnc12 |
C#CC[C@@]1(C(=O)NC2CCCN(C(=O)[C@@H](C)S(=O)(=O)C(C)C)CCC2)CCOC1 |
CC[C@@H](NC(N)=O)C(=O)NC[C@@]1(F)CCN(C(=O)c2n[nH]c3c2CCCCC3)C1 |
Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCN(C(=O)Cc2cscn2)C1 |
O=S(=O)(N1CCN(c2ccc(-c3cc4cc[nH]c4cc3F)nc2)CC1)C(F)(F)F |
C=C(F)CNC(=O)[C@@H](CCN(C)C)NC(=O)c1cc(C(C)C)no1 |
CCCN1CCN(C(=O)[C@](C)(CO)NC(=O)[C@H](C)C(F)F)CC1 |
O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@H]1CN(C(=O)c2cccc[n+]2[O-])CC[C@H]1F |
COCCN(C)CC(=O)N[C@H](C)CCNC(=O)[C@H](F)CC1CCCCC1 |
CCS(=O)(=O)c1ccc(CC(=O)N2CC(C)(NC(=O)C3=CCCS3)C2)cc1 |
C[C@H](CCN=C(NCCc1ccnn1C)NCc1nc(C(F)(F)F)cs1)C(F)F |
Cc1n[nH]c(C)c1CC(=O)NCC(=O)N[C@H]1CCS[C@@H](C)C1 |
C[C@H]1CCN(C(=O)C2(c3ccnc(Cl)c3)CC2)C[C@@H]1NC(=O)CSC(F)(F)F |
C[C@@H](CC(N)=O)C(=O)N1CCC(F)(CNC(=O)c2cnn3c2OCCCC3)CC1 |
O=C(CC1CC(F)C1)NCCc1ccc(CNC(=O)c2nsnc2O)cc1 |
O=C(C[C@@H]1CC[C@H]2C[C@@H]12)N1CCC(F)(C(=O)Nc2ccc(O)cc2F)CC1 |
Cc1ccsc1C(=O)N[C@H]1CC12CC(NC(=O)c1cc3c(F)ccc(F)c3[nH]1)C2 |
Cc1cnsc1C(=O)N1CC[C@@H](CO)[C@H](NC(=O)c2sc3nccn3c2C)CC1 |
CC(C)C[C@H](C(=O)N[C@@H](C(=O)N1CC2(C1)NC(=O)NC2=O)c1ccoc1)N(C)C |
CCOC(=O)[C@@](C)(CC)C(=O)NCCC1CC(NC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 |
COc1ccsc1[C@@H](N[C@@](C)(C(N)=O)c1ccccc1)c1nnnn1C1CCC1 |
Cc1ccnn1CC(=O)NC1CCC2(CC1)CN(C(=O)[C@@H]1CCOCC1(C)C)C2 |
C=CCCn1cc(C(=O)N(C)[C@@H](C)CCNC(=O)C[C@H](C)CCCCC)nn1 |
Cc1nscc1C(=O)N1C[C@@H]2C[C@@]2(C(=O)Nc2sc3c(c2C(N)=O)CCOC3)C1 |
CC(C)[C@@H](C)C(=O)N1CCCN(C(=O)c2cn(C(C)(C)C)cn2)[C@@H](CO)C1 |
C#CC1(C(=O)N2CCN([C@H](C)CNC(=O)[C@H]3C[C@@H]3F)CC2)CCCCC1 |
CCc1ncc(C(=O)N2CC[C@H]([C@H](C)NC(=O)C=Cc3ccccc3F)C2)s1 |
CN(C)CCSCC(=O)NC[C@H]1[C@H]2CCC[C@H]1N(C(=O)CC1(C)CCCCC1)C2 |
C[S+](C)CC[C@@H](O)C(=O)N1CCC[C@](C)(NC(=O)c2ccn3cncc3c2)C1 |
CC=C(C)C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCC2 |
COC(=O)COCCNC(=O)C1(CNC(=O)[C@H](O)C2CCC2)CC2(CC2)C1 |
CCO[C@@H](CC)C(=O)NCC[C@H](O)C(=O)N1C[C@H]2CCC[C@H]2C1 |
CCc1nonc1C(=O)N1CC[C@H](NC(=O)CCNC(=O)c2ccccc2Cl)C1 |
COCCSCC(=O)N1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)OC)C2)[C@H]2CCC[C@H]2C1 |
CCCOCC(=O)N(C)C[C@]1(O)CCN(C(=O)c2coc3ccc(O)cc23)C1 |
Cc1cc(O[C@H](C)C(=O)N[C@H]2CCCc3cc(C#N)ccc32)ccc1Cl |
C[C@H](C(=O)N1CC[C@@](CF)(NC(=O)c2ccc3nnnn3c2)C1)C1(O)CCC1 |
C=C(Cl)CCC(=O)N1C[C@@]2(CCNC(=O)[C@H]3CCCN(CC(C)C)C3)CC[C@H]1C2 |
N#Cc1cnc(NC(=O)[C@H]2COCCN2C(=O)c2cc(-c3ccco3)no2)cn1 |
CCOC(=O)CC(=O)N1CC[C@@](C)(CNC(=O)c2c[nH]cc(Cl)c2=O)C1 |
COc1cc(C(=O)N2CCN(C(=O)C3CCOCC3)[C@@H](CC(C)(C)C)C2)ccn1 |
CN(C[C@@H]1CCN(C(=O)c2ccc3nc(O)sc3c2)C1)C(=O)c1cnc(S)nc1 |
Cc1ccc2cc(C(=O)N3CC(CO)(NC(=O)c4ccc(F)c(C)n4)C3)[nH]c2c1 |
CC1(C)C[C@H](C(=O)N2CC[C@H](CNC(=O)CCc3cncnc3)C2(C)C)CCO1 |
O=C(NC1(c2ccccc2Cl)CC1)c1[nH]nc2ncc(-c3cccnc3)cc12 |
Cc1ccc(P(C)(C)=O)c(NC(=O)[C@@H]2CCS(=O)(=O)C2)c1 |
CC[C@@H](C)[C@@H](C(=O)NCC(C)(CO)CO)N(C)C(=O)CCc1csnn1 |
CCCCCCO[C@H](C)C(=O)N[C@](C)(CC)CNC(=O)Cc1csc(C2CC2)n1 |
CC[C@@H](CCCC(=O)NCCCCC(=O)NC)NC(=O)[C@@](C)(O)COC |
CC(C)CC/C=C/C(=O)NC[C@H]1[C@H](C)CCN1C(=O)c1cn2cc[nH]c(=O)c2n1 |
COC(=O)c1sc(SC)nc1NC(=O)[C@H]1C[C@H](F)CN1Cc1cn(C)nc1C |
CCO[C@H](C)C(=O)N1CCC[C@@H]1CCNC(=O)c1ccccc1Cc1nc[nH]n1 |
CC(=O)OCC(=O)N[C@](C)(CNC(=O)c1ccc2nonc2c1)Cn1cccn1 |
CCc1ccc(F)c(C(=O)NC[C@H]2C=CCN2C(=O)c2cc(C)oc2CC)c1 |
Cc1ccc(CC(=O)NC23CCC(CC2)N(C(=O)CC[C@@H](C)CN(C)C)C3)cc1 |
CC(=O)Nc1ncc(S(=O)(=O)N2CCN(C(=O)c3ccc(F)cc3C)[C@@H](C)C2)s1 |
COCC12CC(C(=O)N[C@]3(CF)CCN(C(=O)c4ccnn(C)c4=O)C3)(CO1)C2 |
CCN1CC[C@@H](N2CCC3(CCN(C(=O)C4CC(F)(F)C4)CC3)C2)C1=O |
CCOC(=O)/C=C/C(=O)N1C[C@@H]2C[C@@]2(CNC(=O)[C@@H](O)c2ccccc2)C1 |
C[C@H](CNC(=O)C(F)=CC1CC1)CC(=O)NCc1cc(F)ccc1O |
CO[C@H]1COC[C@H]1N(C)C(=O)[C@H](NC(=O)[C@@H]1CC12CCCC2)C1(O)CCCCC1 |
C[C@H](C(=O)N[C@]12C[C@H]1CN(C(=O)CCOCC(F)(F)C(F)F)C2)c1ccnn1C |
O=C1CN(C(=O)[C@H](NC(=O)[C@@H](CO)C(F)(F)F)[C@@H]2CCCO2)CC(=O)N1 |
CCOC(=O)C=CC(=O)N[C@H](CC(=O)N[C@H]1CCN(C)C[C@H]1C)C1CC1 |
CN(C(=O)C[C@@H]1SC(=N)NC1=O)C1CCC(NC(=O)c2cncc(O)c2)CC1 |
CC1(O)CCC(CC(=O)N[C@@]2(CF)CCN(C(=O)CCc3n[nH]c(=N)s3)C2)CC1 |
CCN(C(=O)[C@@H](CNC(=O)C1CCSCC1)C(C)C)[C@H](C)C(=O)OC |
CCC(CC)[C@H](C)C(=O)N1CC2(CCN(C(=O)C34CCC(CC3)[C@@H](C)O4)C2)C1 |
Cc1cc(C)c(CC(=O)N(C)C[C@H](C)CNC(=O)Cc2ccc(Cl)s2)c(O)n1 |
CCN(C(=O)c1ccnc(C)c1)[C@@H]1CCCN(C(=O)c2cc(C(C)=O)on2)CC1 |
CC(C)(C)Oc1cc(C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CSCCS3)C2)ccn1 |
COCCn1cc(C(=O)N2CC[C@H](NC(=O)[C@]3(Cl)CC3(C)C)[C@@H]2C)cn1 |
C#CCSCC(=O)N(C)[C@@H]1CCCC[C@H]1N(C)C(=O)CCOCC(F)F |
Cc1nn(CC(=O)N2CC3(CCN(C(=O)C(C)(C)F)CC3)C2)c(C)c1Cl |
CS[C@H](C(=O)NC[C@H]1CC(C)(C)CN1C(=O)[C@H](C)n1cnnn1)c1ccccc1 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.