smiles stringlengths 6 131 |
|---|
C[C@H](CC(=O)NC/C=C/CNC(=O)c1cnc2c(ccn2C)c1)C(C)(C)C |
CCS[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)c1cc(C(F)(F)F)no1 |
C[C@H](O)CN(CCNC(=O)[C@@H]1COCCO1)C(=O)[C@H]1COCCO1 |
NC(=O)c1nc(Br)ccc1NC(=O)c1ccc(=NCc2cccnc2Cl)[nH]c1 |
CCc1ncc(C(=O)N[C@@H](CCN(C)C(=O)c2cnoc2C2CC2)C(C)C)[nH]1 |
CCC(CC)C(=O)NC[C@@H](CO)NC(=O)Cc1ccc(O)c(OC)c1 |
O=CN1CCC[C@H]1C(=O)NC[C@]12C[C@H]1CN(C(=O)c1ccc(F)cc1)C2 |
CC1(C(=O)N[C@@H]2CCN(C(=O)C=Cc3cc[nH]c3)C[C@@H]2F)CSC1 |
COC(=O)CSCC(=O)N(C)[C@H]1CC[C@@H](NC(=O)C23CCC2CC3)CC1 |
CSCCCC(=O)N1CC2(CC2)C[C@H]1CC(=O)NCC1(F)CC(O)C1 |
CC(C)(C)OC(=O)[C@@H]1C[C@H]1CNC(=O)[C@@]12COC[C@@H](C1)OC2 |
Cc1nn(-c2ccccc2)c(C)c1SCC(=O)OCCOCCOCCC#N |
CSCC[C@H](O)C(=O)N1C[C@H](C)C[C@H]1C(=O)N1C[C@H]2COC[C@H]2O1 |
Cc1nc[nH]c1C(=O)N[C@H](C)[C@H]1CCCN1C(=O)c1conc1C(F)(F)F |
CS[C@@H](C)C(=O)NNc1ccc(S(=O)(=O)N=c2nnn(C)[nH]2)cc1 |
C=CCC(C)(C)C(=O)N(C)C1CCN(C(=O)[C@@H]2CCc3nc[nH]c3C2)CC1 |
O=C([C@@H]1CCCC[C@@H]1O)N1C[C@H]2CCCC[C@]2(CNc2ccccc2[N+](=O)[O-])C1 |
Cc1cc(CC(=O)N2CC[C@@H](NC(=O)C[C@@](C)(N(C)C)C(F)(F)F)C2(C)C)cs1 |
C=CC[C@H](C)C(=O)N1CCN(C(=O)CC2CC(=O)C2)CC[C@H]1C |
O=C(N[C@@H](C(=O)Nc1cccc(CCF)c1)c1cccs1)c1cc(C2CC2)[nH]n1 |
Cc1nnc(CC(=O)N2CC(CNC(=O)C(F)(F)c3ccc(Br)nc3)C2)o1 |
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@H]2CC(=O)OCc1nc2ccc(F)cc2o1 |
C[C@H]1COCCN(C(=O)[C@H](N)c2cccc(C(F)(F)F)c2)C1 |
CSc1ncc(C(=O)N(C)C[C@H]2COCCN2C(=O)c2ccc(=O)n(C)c2)[nH]1 |
CC(C)N1CCN(C(=O)C2CC(NCc3cc([N+](=O)[O-])ccc3Cl)C2)[C@@H](C)C1 |
O=C(NCCNC(=O)C1=NOC(C2=CC(Cl)=CC=C2)=C1)C1=CC(C(F)F)=CN=C1 |
O=C(NCCNC(=O)[C@@H](O)C1CCCC1)c1ccnn1Cc1ccccc1 |
Cc1cc(Cl)c(C(=O)N2C[C@@H]3CCN(C(=O)CCc4cncn4C)[C@@H]3C2)cn1 |
O=C(NC1CC1)C(=O)N1CC(OCCNC(=O)c2ccc(F)c(C(F)F)n2)C1 |
C[C@@H](CCN(C)C(=O)[C@H]1CCn2nnnc2C1)NC(=O)Cc1cccc(Cl)c1F |
C[C@@H](CC1CN(C(=O)c2cc3c(O)cccc3[nH]2)C1)NC(=O)[C@@H](C)CC(N)=O |
CCCCN(C(=O)c1cc[nH]c1C)C1CCN(C(=O)CCC2CC(OC)C2)CC1 |
CSC[C@H](C)C(=O)N[C@]1(CO)CCN(C(=O)C(C)(C)n2ccc(C)n2)C1 |
CO[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2coc3ccccc23)[C@H](C2CCC2)C1 |
O=C(Nc1ccc(O)cc1O)[C@@H]1C=CCN1C(=O)[C@@H]1CCCO1 |
CCCC(C)(C)C(=O)N1C[C@H]2CCC[C@@](CNC(=O)[C@@H]3CCCOC3)(C2)C1 |
COc1cccc(=NC(=O)CC2CN(Cc3c(F)cc(Cl)cc3F)C2)[nH]1 |
C[C@H](CC(=O)N1CC2=C(C1)CN(C(=O)Cn1cccc1)C2)C1CCCCC1 |
CCC(CC)CCCC(=O)N(C)CCCCNC(=O)CNC(=O)[C@H]1C[C@H]1C |
CCOC=CC(=O)N(CCCNC(=O)C(C)(C)c1ccsc1)C1CCCC1 |
Cc1cc(C(=O)NCC2CCN(C(=O)[C@H]3C[C@H](O)C3)CC2)co1 |
C[S@@](=O)C1(CNC(=O)[C@@H]2CC(F)(F)CN2C(=O)C#CC2CC2)CC1 |
CC(C)N(CCN(C)C(=O)C1CC(=C(F)F)C1)C(=O)c1cc(=O)n2nccc2[nH]1 |
CCOC1=CC(=O)[C@H](Cc2cn(C[C@@]3(F)CCOC3)nn2)CC1 |
C#CCN(CC1CC1)C(=O)[C@@H]1CCN(C(=O)C2(SC)CC(=O)C2)O1 |
C#CCOC[C@@H]1CCCN1C(=O)[C@@]1(NC(=O)c2cnn(CCO)c2)CCSC1 |
C[C@@H](CCCCNC(=O)C1=C2CCN=C2NC=C1)NC(=O)CNS(=O)(=O)C1CC1 |
C[C@H]1CC(C)(C)CN1C(=O)[C@H](C)n1cc(-c2cccc(CC(=O)O)c2)nn1 |
C[C@@H](CN(C)C(=O)c1nnn(C)c1C(F)F)NC(=O)[C@@H](C)CSC(F)(F)F |
CC1=C[C@@H](NC(=O)CCCCCCn2cc(-c3cc[nH]n3)nn2)CCC1 |
O=C(NC1(C2CN(C(=O)[C@@H]3CCCC(F)(F)C3)C2)CC1)c1ccc(CO)o1 |
C[C@@H]1CCC[C@H](C(=O)N[C@H]2C[C@@H](NCc3cnc(Cl)c(Cl)c3)C2)C1 |
CC[C@H]1C(=O)N(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N=C1COC |
CN(C)[C@H]1C[C@H](C(=O)NC[C@H]2[C@@H]3C[C@H]2CN3C(=O)C2(C#N)CCCC2)C1 |
Cc1cccnc1C(=O)N[C@@H](c1ccccc1)[C@H](C)NC(=O)c1c[nH]nc1C |
Cc1ccnn1CC(=O)N(C)CCN(C)C(=O)[C@@H]1SCc2cccnc21 |
CC(C)C[C@H](O)[C@H](C)C(=O)NCCC[C@H](O)C(=O)N1CC=C[C@H]1CF |
C[C@@]1(F)CN(C(=O)C(=O)NCC2CC2)CCN(C(=O)c2cccc3oncc23)C1 |
C[C@@H](O)CN(CCNC(=O)COCC1CCC1)C(=O)C12CC(C)(C1)OC2(C)C |
CC=C(F)C(=O)N1C[C@@]23CCC[C@@]2(C1)CN(C(=O)c1cc(C)c(F)cc1N)C3 |
CCC(CC)[C@@H](F)C(=O)NCC[C@H](C)NC(=O)CC1(CC)CCC1 |
CCCC[C@@H](C)C(=O)N1CCSC[C@H]1CCNC(=O)C(C)(C)n1cnc(C)c1 |
Cc1nc(C)c(F)c(N2CCN(C(=O)C#C[C@H]3CCCOC3)C[C@](C)(F)C2)n1 |
NS(=O)(=O)c1c[nH]c(C(=O)NCCCCNC(=O)[C@@H]2Cc3ccccc3CO2)c1 |
CCCN(CC(=O)N1CCc2ncn(C)c2C1)C(=O)CN(C)C |
C#CC[C@H](C(=O)NCC1(O)CC(CNC(=O)CC(F)(F)F)C1)C1CC1 |
CCNC(=O)C(C)(C)CNC(=O)c1ccn(CCNC(=O)[C@@](C)(O)CC)c1 |
CC[C@H](CC(=O)N[C@@H](C(=O)N1CCC(F)(F)C1)c1cccnc1)CC(C)C |
CC(C)CC(=O)C(=O)N1CC[C@H](F)C[C@@H]1C(=O)N(C)Cc1cccc(O)n1 |
C[C@@H](C(=O)NCCCCCCN(C)C(=O)[C@@H](O)c1ccc(F)c(F)c1)C(C)(C)C |
N#Cc1cc2c(nc1N[C@@H](C1CC1)[C@H]1CCCCO1)COCC2 |
CO[C@H]1COCC[C@@H]1CC(=O)N1CCC(OCCCc2ccccc2)CC1 |
CNC(=O)CCCCC(=O)NC[C@@H]1C[C@H]1CNC(=O)c1csc(C(C)(C)C)n1 |
COC[C@H](CC(C)C)C(=O)N1CCN(C(=O)CN(C)C(N)=O)[C@H](CO)C1 |
CCCC[C@H](O)CC(=O)NC1(C(=O)N2C[C@H](O)CC(C)(C)C2)CC1 |
O=C(N[C@H]1C[C@H]1C(=O)NCCCCCCO)c1cnc(-c2ccccc2)s1 |
CCC[C@H](F)C(=O)N[C@@H]1CN(C(=O)c2cccc3occc23)[C@@H]2CCC[C@@H]12 |
CCCN(CCC)C(=O)CCCC(=O)NCCNc1cncc(Cl)n1 |
COc1ccc(C(=O)N[C@]2(CO)CCN(C(=O)C3(c4n[nH]cc4C)CC3)C2)cn1 |
O=C(OCc1nncn1C1CC1)c1cc(F)cc([N+](=O)[O-])c1Br |
Cc1nn(CC(=O)N2C[C@H](C)N(C(=O)c3cnn4c3CCC4)C[C@@H]2C)c(C)c1C |
COc1cc(C(=O)N2CCC[C@H]3[C@H]2CCN3C(=O)[C@H]2CCCCO2)ccc1Cl |
Cc1cc(CCNC(=O)[C@H]2CCC[C@H]2NC(=O)c2sccc2F)nn1C |
Cc1nn(C)c(NC(=O)c2sccc2NCc2ccc(C(=O)O)s2)c1Cl |
C=CCC1(C(=O)NC[C@H]2CN(C(=O)C=NOC)CCO2)CC=CC1 |
CCC(CC)N1C[C@@H](C(=O)NC[C@]2(C)CCN(C(=O)c3cnn(C)c3)C2)CC1=O |
C[C@@H](NC(=O)[C@]1(C)CN(C(=O)CC(C)(F)F)C(C)(C)C1)c1n[nH]c(CO)n1 |
CC[C@H](C)CN(CC)c1nnc([C@H](C)OCCOC)n1CCN(C)[C@H](C)CC |
O=C(c1ccc(OCC2CC2)cc1F)N1CCN(Cc2cc(Br)c(Br)s2)[C@H]2C[C@@H]21 |
Cc1cccc(C(=O)N[C@@H](C)[C@@H](C)NC(=O)c2ccnn2[C@H]2CC2(F)F)c1C |
COCC1(C(=O)N2CC[C@@H](Cn3cc(-c4ccc(F)cc4Cl)nn3)C2)CC=CC1 |
O=C(NC[C@H](NC(=O)c1conc1[C@@H]1CCCO1)C1CCCCC1)c1ccco1 |
C[C@@H](CC(=O)N1CCC[C@@H]1C(=O)N1CC(O)(C(F)(F)F)C1)c1ccco1 |
CCOc1nc(C(=O)N[C@@H]2CCC[C@H]2NC(=O)CC2CC(=O)NC(=O)C2)ns1 |
CN(CCCCCCNC(=O)C[C@H]1CC1(Cl)Cl)C(=O)COCC1CCOCC1 |
Cn1cnc2cc(CNC(=O)C(=O)NCC(C)(C)C(C)(C)O)ccc21 |
CN(CCCC(=O)NCC[C@H]1CN(C(=O)c2cc(C(C)(F)F)on2)CCO1)N=O |
CCC1CC(CC(=O)NCC[C@H](OC)C(=O)Nc2cscc2C2CC2)C1 |
C=C=CCC(=O)NCCCCNC(=O)c1ccc2c(c1)CCOC2 |
Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)NC[C@@H](C)c1ccncc1 |
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