smiles stringlengths 6 131 |
|---|
Cc1cc(C(=O)NCc2cncc(C(=O)N3CCC[C@]3(C)CC(C)C)c2)sn1 |
CC(C)c1ccc(C#N)c(NC[C@@H]2CCN(C(=O)[C@@H]3CCn4ccnc4C3)C2)n1 |
C[C@H]1C[C@H](CC(=O)N(C)c2ccc(OC(F)(F)F)cn2)CC(C)(C)C1 |
Cc1oncc1C(=O)N(C)[C@@H]1CCC[C@@H]2CN(C(=O)[C@H](C)c3ccn(C)c3)C[C@@H]21 |
CCSC[C@H](NC(=O)[C@@H](OC)C(=O)OC)C(=O)NC[C@@H]1CCC1(F)F |
CC(C)=C(Br)C(=O)N1CCC2(CN(C(=O)CCc3ccc(C)s3)C2)C1 |
CCOCCNC(=O)[C@H](c1ccnn1CC(F)F)N1CCC[C@@H](O)CC1 |
O=C(CC1(NC(=O)c2ccc(Br)cc2O)CCC1)NCCCC(F)(F)F |
C#CCCn1c(COc2cc(F)cc(Br)c2)nnc1N1C[C@H]2CC[C@H]1C2 |
C[C@@H](CNC(=O)c1cncnc1C1CC1)N(C)C(=O)[C@@H]1C[C@H]1C |
CO[C@@H]1CN(C(=O)C2(SC)CCC2)C[C@@H]1NC(=O)c1c(N)sc(C)c1C |
C#Cc1nc(C(=O)NC[C@H]2CO[C@H](C(F)(F)F)CN2C(=O)C2CC2)cs1 |
C[C@@H](CNC(=O)[C@H](C1CC1)N(C)C)N(C)C(=O)c1cc(C(N)=O)co1 |
O=C(NC[C@H]1C[C@@H](O)CN1C(=O)[C@@H]1C[C@H]1c1cn[nH]c1)c1cccc2c1CCN2 |
Cc1cc(C(F)(F)F)nc(=NC[C@@H]2CCC[C@@H]2NC(=O)CC[C@H]2CCCO2)[nH]1 |
COCCN(C)CC(=O)N1C[C@@H](CNC(=O)c2sc(CO)nc2C)C2(CC2)C1 |
C=CCCCC(=O)N1Cc2ccccc2[C@@H](NC(=O)c2ccn(C(F)F)n2)C1 |
C[C@H](C(=O)N1CC(F)(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1)c1ccc(Br)cc1 |
C#CCO[C@@H](C)C(=O)N1C[C@H](NC(=O)c2cc(Cl)ccc2F)CC12CCCCC2 |
CCOC1(C(=O)N[C@H]2CCCCCN(C(=O)c3cc(C)c(C)s3)C2)CC1 |
CC[C@H](NC(=O)CCCNC(N)=O)C(=O)NCCC12CC(CCO1)C2 |
CCOC(=O)C1(C(=O)NCC[C@@H](C)NC(=O)C[C@H]2CCC2(C)C)CC1 |
CC(C)c1n[nH]c(=N[C@H]2C[C@@](F)(CNC(=O)[C@@H]3CCO[C@H]3C)C2)o1 |
O=C(NCc1ccc2cc(O)ccc2c1)c1ccc(C(=O)N2CCOCC2)cc1 |
CCc1ncc(Br)cc1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCCN3C2)C1 |
CCCCSCC(=O)N[C@@H]1CCCN(C(=O)c2cc(C(F)F)ncn2)[C@@H]1C |
CN1C[C@H](C(=O)NC2(CNC(=O)c3cccc(N(C)C)c3)CC2)[C@@H](C(F)(F)F)C1 |
C#CC[C@]1(O)C[C@@H](C(=O)NCCCCCCNC(=O)[C@@H]2CNC(=O)O2)C1 |
COc1cccc(O)c1CN[C@H]1C[C@@H](C(=O)NC[C@H](C)c2ccccc2)C1 |
C[C@@H]1Oc2c(cccc2C(=O)NC2([C@@H]3CCCN(C(=O)C(N)=O)C3)CC2)NC1=O |
CCCN(CC1CC1)C(=O)[C@H]1C[C@H](NC(=O)c2ccc(OC)cc2)CCO1 |
C=CCN(CCC(=O)N1CC(=O)NC(=O)[C@H]1C)C(=O)CCC(=O)NN(C)C |
O=C(NCc1ccc(CNc2cnc(F)cn2)cc1)c1cnc2c(n1)CCCC2 |
COc1ccnc(CC(=O)N2CCCC[C@]3(CCN(C(=O)c4cccs4)C3)C2)n1 |
CC[C@@H](C(=O)N1CCc2[nH]nc(CNC(=O)c3cc(C)ns3)c2C1)n1cncn1 |
CO[C@H]1CCN(CC(=O)N(CCC(=O)N[C@H](C)c2cc[nH]n2)CC2CC2)C1 |
CCC1(CC)CC(NC(=O)CCCCN(C)C(=O)C=C(C)C(C)C)C1 |
COc1cnnc(C(=O)NC[C@@]23CCC[C@@H]2N(C(=O)CC=C(C)C)CCC3)c1 |
CSCCC(C)(C)C(=O)NC[C@@]12C[C@@H](CO1)N(C(=O)[C@@H]1CCCC1(F)F)C2 |
CC(=O)NCCC(=O)N[C@@H]1CCC[C@@H]1C(=O)Nc1n[nH]c(C(F)(F)F)n1 |
CC(C)CC1(C(=O)NCCC2CC(C(=O)NCC3(C#N)CCCC3)C2)CC1 |
CO[C@@]1(C(=O)NCc2cnn(C)c2C(=O)Nc2ccccc2CCO)CCOC1 |
Cn1cncc1CN1CCC2(CC1)C[C@@H](NC(=O)[C@@H](O)c1cccc(Br)c1)CO2 |
COC(=O)c1sc(N[C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]3C2)nc1C |
Cc1cc(C)cc(C(F)(F)CNC(=O)NCCc2ccnc(Cl)c2F)c1 |
CN(C[C@@H]1CCCN1C(=O)CCN=c1[nH]ccs1)C(=O)[C@]1(C)C[C@H]1C(F)(F)F |
C[C@@H](Cn1ccnc1)C(=O)N1CC(C)(OCC(=O)N(C)CC(C)(F)F)C1 |
CCc1noc(C)c1C(=O)N(C)[C@@H]1CCN(Cc2ccc(-c3ccsc3)cc2)C1 |
Cc1nc(C(=O)N[C@H]2CC[C@@H]2NC(=O)C2(C(F)(F)F)CCCC2)nn1C |
CC(C)[C@@H]1[C@@H](NC(=O)C(=O)NCC2CC2)CCN1C(=O)C1=C[S@](=O)CCC1 |
Cc1ccc([C@@H](CNC(=O)c2csc(Cl)c2)NC(=O)[C@@H](O)CC(F)(F)F)cc1 |
Cc1c(C(=O)N2CCC[C@@H]([C@H](C)NC(=O)c3cc[nH]n3)C2)sc(Cl)c1Cl |
N#CC1(CC(=O)NCCC2CN(C(=O)c3nc4ncccn4n3)C2)CCCCC1 |
O=C(C[C@@H]1CCN(Cc2cc(Br)co2)C1)N1CCN(Cc2cccs2)CC1 |
O=NN1CCCC[C@H]1C(=O)N1CCC([C@@H]2C[C@H]2NC(=O)C2(CF)CC2)CC1 |
CCC[C@@H](O)CNC(=O)C1(CNC(=O)[C@H]2Cc3ccccc32)CC(C)(C)C1 |
Cn1nnc(C(=O)N2CCN(C(=O)C3(C4CCC4)CC3)[C@@H]3C[C@@H]32)c1N |
C[C@H](CNC(=O)C1(O)CC1)[C@@]1(O)CCN(C(=O)Cc2cnn3c2OCCC3)C1 |
C#CC1(O)CC(C(=O)N2C[C@H]3CCC[C@H]2[C@H]3CNC(=O)Cn2ncn(C)c2=O)C1 |
C=C1CC2(C1)CC(C(=O)NC[C@@]1(NC(=O)c3ccc(F)c(F)c3F)CCOC1)C2 |
Cn1nc(C(F)(F)F)c(COC(=O)c2ccc(C#N)nc2O)c1OC(F)F |
CCCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)CCCCNC(=O)CCC(C)(C)C |
O=C(NC[C@H](CO)NC(=O)c1cccc(Cl)c1Cl)c1cccc(-c2ncon2)c1 |
C=CC1(CC(=O)N2CCC[C@@H](NC(=O)c3snnc3C)[C@@H]2C)CCCCC1 |
C[C@@H]1C[C@@H](NC(=O)C(=O)Cc2cccs2)CCN1C(=O)C1=C[C@@]2(CCOC2)C1 |
CCc1cccc(NC(=O)C23CC(CN2C(=O)Cc2nonc2C)C3)c1C |
O=C(N[C@@H]1CN(C(=O)c2sccc2C(F)F)Cc2ccnn2C1)c1ccc(Cl)o1 |
Cc1ccc(C(=O)N[C@H](C)CC2CN(C(=O)C[C@@H]3CC(C)(C)CO3)C2)o1 |
Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(C(=O)C2=C[S@@](=O)CCC2)C[C@H]1F |
C[C@H](C(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@@H]3C[C@@H]3C2)[C@H]1C)C1CCC1 |
CCOC1CCN([C@H](C(=O)NC(C)(C)CC)c2cc(-c3ccccn3)[nH]n2)CC1 |
COCC1(CC(=O)N2C[C@@H](C)[C@H](CNC(=O)c3cc(C)nc(OC)c3)C2)CC1 |
C/C=C/CCCCC(=O)N[C@@H]1CC[C@H](CNC(=O)C2CCCCC2)C1 |
CC(=O)NCC(=O)NCc1cc(C)c(C(=O)N(C)Cc2cn[nH]c2)o1 |
O=C(NC[C@]1(F)C[C@H](CNC(=O)[C@H]2C[C@@H]3CC[C@H](C2)[C@H]3O)C1)c1ccon1 |
COC(=O)[C@H](C)CN(C)[C@H](C(=O)NC[C@H]1CCCO1)c1ccc2c(c1)OCCC2 |
CCn1[nH]nnc1=NC(=O)C1=NO[C@]2(CCN(C(=O)COC3CCCC3)C2)C1 |
CCOCCONC(=O)[C@@H]1CCO[C@H]1CNC(=O)/C=C/c1cccc(C)c1 |
COC(=O)C1(NC(=O)[C@H]2CN(C(=O)C(C)(CO)CO)CCN2)CCC1 |
CC1(C(=O)N2Cc3c[nH]c(=N)nc3C2)CCN(c2ccc(Cl)cc2C#N)CC1 |
Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CCN(C(=O)c2cnc(O)s2)C[C@H]1C |
C=C1CC(C)(C(=O)NC[C@@H]2CCCC[C@H]2NC(=O)c2sccc2COC)C1 |
CN(C(=O)c1ccc(F)c(OC(F)(F)F)c1)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 |
CNC(=O)CCCCC(=O)N[C@@H]1CCN(C(=O)c2ccc(F)cn2)[C@@H](C2CC2)C1 |
COCCCONC(=O)[C@@H]1C[C@H](F)CN1C(=O)CCn1cnnn1 |
C[C@H]1[C@@H](NC(=O)c2n[nH]c3c2CN(C)CC3)CCN1C(=O)[C@H]1C2C[C@@H]3C1[C@@H]3C2 |
C=CC[C@@H](CNC(=O)C(C)(C)C=C)NC(=O)[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1 |
C[C@@H](C(=O)NC[C@H]1CCN(C(=O)c2ccccc2)C1)c1noc2ccccc12 |
COc1ncnc(OC)c1C(=O)NCC1CN(C(=O)C(=O)NCCC(N)=O)C1 |
Cc1cncc(NCc2nc(Cl)cc(Cl)c2C)n1 |
NC(=O)C(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)[C@@H](CC(F)F)C1 |
COc1cccc([C@@H](C)NC(=O)[C@@H]2CC[C@H](Nc3ncc(F)c(SC)n3)CO2)c1 |
CN(C[C@H]1CCCCN1C(=O)CC[C@H]1CC[C@@H](O)CC1)C(=O)[C@]1(C)CCCS1 |
CCCN(C(=O)[C@H](C)n1cnnn1)[C@H]1CCN(C(=O)c2cncc([N+](=O)[O-])c2)C1 |
Cc1nc2ccc(NNC(=O)N[C@H](C)c3ccc(N4CCCC4=O)cc3)cc2[nH]1 |
C#CCCCCCC(=O)NC[C@@H]1C[C@H](C)CN(C(=O)CN2CCOCC2=O)C1 |
CC(C)CO[C@H](C)C(=O)NCC[C@]1(O)CCN(C(=O)CN2CC(C)(C)C2)C1 |
C[C@@H]1CCN(C(=O)[C@@H](C)n2cccn2)C[C@@H]1NC(=O)CCc1ccsc1 |
CC(C)S[C@@H](C)C(=O)NCC12CCC(CC1)N2C(=O)[C@@H](O)C1CC1 |
CCS(=O)(=O)CC(=O)N1[C@@H](C)CN(C(=O)[C@H]2CCCN3CCC[C@H]23)C[C@H]1C |
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