smiles
stringlengths 6
131
|
|---|
CC(=CC(=O)N1CCC[C@H]([C@H](C)NC(=O)c2ccc(N(C)C)c(F)c2)C1)C(F)F
|
COCc1ccc(C(=O)N[C@@H]2C[C@@H]2NC(=O)CSC[C@@H]2CCCCO2)o1
|
CCN(C(=O)c1oc(CC2CC2)nc1C)C1CCN(C(=O)c2coc(O)n2)CC1
|
C[S@@](=O)C1(CNC(=O)C2(c3ccc(Cl)cn3)CC2)CCC1
|
C=CCSCC(=O)N1C[C@@H](CNC(=O)CC2=CCN(C)CC2)CC12CCC2
|
CC(C)C(=O)c1cccc(NC(=O)C(=O)N[C@@H](C)CCN2CCOC2=O)c1
|
O=C(N[C@@]1(c2cccc(F)c2)CCN(C(=O)C=CCO)C1)[C@H]1CCCS1
|
CC[C@@H]1OCC[C@H]1N[C@@]1(c2nnnn2-c2ccccc2Cl)CCC(=O)NC1
|
Cc1cn2c(n1)C[C@H](C(=O)N[C@H]1C[C@@H](N(C)C(=O)Cn3cc(CO)nn3)C1)C2
|
CC(C)[C@]1(C(=O)NCCCOC(=N)O)CCCN1C(=O)C1=COCC1
|
COCCSCC(=O)NCC1(O)CC(CNC(=O)CN(C)CCO)C1
|
COc1ccsc1C(=O)NC[C@H]1CN(C)CCN1C(=O)c1cc(Cl)cn1C
|
CC[C@H](O)C(=O)N[C@H](CNC(=O)c1oc2ccccc2c1CO)c1ccccc1
|
O=C(N[C@@H](CO)C1CC(F)(F)C1)C(=O)c1ccc(Br)cc1O
|
Cc1ccc(C(=O)N2CC(O)(CCNC(=O)C3(C)CC(F)C3)C2)c(F)c1
|
C[C@@H](CN1CCN(C(=O)[C@]2(C)C=CCC2)CC1)NC(=O)CCc1ccc(O)cc1
|
O=C1C[C@H](C(=O)N[C@@H]2C[C@@H](NC(=O)[C@H]3[C@H]4[C@@H]5C[C@@H]6[C@@H]7C[C@@H]([C@@H]4[C@@H]75)[C@@H]63)C[C@H]2O)CN1
|
C[C@@H]1CCNCC[C@@H]1N(C(=O)[C@](C)(O)C(F)(F)F)c1ccnc2cc(Cl)ccc12
|
CCC[C@@H](C)CC(=O)N1C[C@@H]2C[C@H](C1)C2NC(=O)CCOc1ccc(OC)cc1
|
C[C@@H]1C[C@@H]1c1ccc(CN=c2cc(NCCC(=O)N3CCC(O)CC3)nc[nH]2)o1
|
COc1nn(C)cc1C(=O)N1CC(OCCNC(=O)c2ccc3nc[nH]c3n2)C1
|
C[C@H](CNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12)N(C)C(=O)Cc1c[nH]c2cccnc12
|
C#Cc1cnc(C(=O)NCC2(CC(=O)N3CCN(C)[C@@H](C#C)C3)CC2)c(C)c1
|
CC1(C)C[C@@H](CCN[C@H](c2cccc3[nH]ncc23)c2nnnn2CC2CC2)CO1
|
CO[C@H]1C[C@@H](CNC(=O)CCC(N)=O)N(C(=O)C2CC3(CC(CO)C3)C2)C1
|
C#CCN(CCCO)C(=O)c1[nH]ccc1CNC(=O)[C@H]1COCCO1
|
CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CCN1C(=O)C=Cc1cccn1C
|
Cc1cccc2cc(C(=O)N[C@H]3C[C@H](NC(=O)C[C@@H]4CC5CCC4CC5)C3)[nH]c12
|
C[C@H]1CN(C(=O)Cc2ccccc2I)CCCN1C(=O)[C@@H](C)Sc1ccccn1
|
CSc1ccccc1CC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)Sc2nncn2C)C1
|
COCc1nnc(NC(=O)C2CCC(OCCC3CC3)CC2)s1
|
CCC[C@@H](CO)NC(=O)c1ccc2nccc(-c3sccc3C)c2c1
|
C[C@@H](CNC(=O)C[C@@H](C(F)F)C(C)(C)C)Nc1cncc(Cl)n1
|
CN(C)C(C)(C)CCC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)NCCN1CC(CF)C1
|
C=C(C)CN=C(NC[C@H]1CC(=O)N(C)[C@@H]1c1ccccc1)NC1CCCCC1
|
CN(C[C@@]1(O)CCCN(C(=O)C2CC=CC2)C1)C(=O)C1(n2cccn2)CCC1
|
COc1ccc(CN(c2ccnc(C)n2)[C@@H]2CCNC[C@H]2O)c(Cl)n1
|
COc1cccc(C(=O)NCC[C@@]23CC[C@H]2CN(C(=O)c2ocnc2C)C3)c1N
|
CC[C@H](C)[C@@H]1CCCCN1C(=O)CCNC(=O)C12CCC(C1)C2
|
C[C@@H](CCNC(=O)c1cnn2c1N(C)CC2)N(C)C(=O)c1cn(CC(N)=O)nn1
|
CCO[C@H](C)C(=O)NCC1CCN(C(=O)c2cc(C)ccn2)CC1
|
CCCCC(C)(C)NC(=O)C(C)(C)CNC(=O)c1ncc(C#N)cc1C
|
C[C@H]1CN(CC(=O)N2C[C@@H]3CNC(=O)C[C@@H]3C2)CCO1
|
Cc1ccc(SCC(=O)N(C)[C@@H](C)CN(C)C(=O)c2cc3occc3n2C)cc1
|
Cc1cc(CCC(=O)N2CC[C@H](NC(=O)c3cc(O)nc(Cl)c3)[C@@H](C)C2)c(C)s1
|
C=CCn1cc(C(=O)N2CC[C@H](NC(=O)c3ccc(CS(C)(=O)=O)cc3)C2)cn1
|
C[C@@H](O)CCc1cn([C@@H]2CCN(C(=O)c3nccc4c(Br)cccc34)C2)nn1
|
CC(C)c1n[nH]cc1C(=O)N[C@H]1CCN(C(=O)c2nc(=O)n(C)[nH]2)[C@@H](C)C1
|
CCc1cc(Cl)ccc1C(=O)N[C@@H]1C[C@H]2CC[C@@]1(NC(=O)CC1OCCO1)C2
|
CC[C@H](C)C1CCN(C(=O)[C@@H]2CC[C@H](NC(=O)c3cc(C#N)cs3)C2)CC1
|
COc1ccncc1C(=O)N1C[C@@H]2CCCN(C(=O)Cc3nnc(O)s3)[C@@H]2C1
|
CNc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@H](N(C)c2ccc(C)cc2)C1
|
CN(C)C1(C(=O)NCC2CC(NC(=O)C(C)(C)c3ccc(Cl)cc3F)C2)CCC1
|
CC(C)C[C@@H](CN(C)C)NS(=O)(=O)c1nc(N2CCC[C@@H](CO)CC2)ccc1Br
|
Cc1nc2n(n1)CCN(S(=O)(=O)c1cccc(CO)n1)C2
|
CC(C)(O)C(=O)N1CCCC[C@H]1C(=O)N=c1cccn[nH]1
|
O=C(NCC1(F)CN(C(=O)COC2CCCC2)C1)[C@H]1CCCN(CC(F)F)C1
|
CCCCC[C@H](O)C(=O)N[C@H](Cn1cncn1)C(=O)NCCc1cnnn1C
|
CS(=O)(=O)c1ccc(F)c(C(=O)Nc2nc(CC(=O)N3CC[C@H](O)C3)cs2)c1
|
CC[C@H]1CN(C(=O)c2cncn2C)CC[C@H]1NC(=O)Cc1ccn(CC)n1
|
CCc1cc(CNC(=O)C2=CC[C@@H](NC(=O)C(=O)CC(C)C)C2)on1
|
C=CCSc1ccccc1C(=O)N(C)CCN(C)C(=O)COCC(C)C
|
O=C(NC[C@@H]1CCCN(S(=O)(=O)c2cn[nH]c2)C1)C(=O)NC[C@@H]1CCCCS1
|
CCOC(=O)c1cnn([C@H]2CCCN(C[C@H]3CCCC(F)(F)C3)C2)c1
|
Cc1nn(C)cc1[C@H](C)NC(=O)C[C@H]1CCN1C(=O)[C@H]1CC(=O)OC1(C)C
|
CS[C@H](C)CCC(=O)NCC1(NC(=O)CC2OCCCO2)CC1
|
CCOc1cc(C(=O)N2CCC(CCNC(=O)c3occc3C)CC2)on1
|
CN1N=C(CC(=O)NCC23CC(CN2C(=O)C=Cc2cc[nH]n2)C3)CC1=O
|
C=C(C)CCC(=O)N1C[C@@H](OCC)[C@H](CNC(=O)c2cncn2C)C1
|
CC[C@H]1CN(C(=O)c2ccnn2C2CC2)CCN1C(=O)CCn1cccnc1=O
|
CCN(CCNC(=O)[C@H]1CCCN1CC)C(=O)[C@@H](C)c1cnn(C)c1
|
Cn1nc2ccccc2c1C(=O)NC1C[C@@H]2CN(C(=O)Cn3cncn3)C[C@H]2C1
|
C=CC[C@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@@H](NC(=O)c2cc(=O)n3ccsc3n2)C1
|
C[C@@H]1CCCCCCN1C(=O)c1coc(CNC(=O)C2CC(C)(C)C2)n1
|
CC[C@@](C)(CNC(=O)[C@@H]1CC(C2CC2)=NO1)NC(=O)c1conc1C(F)(F)F
|
CC[C@@H]1C[C@H]1CC(=O)N1C[C@@H](N(C)C(=O)c2cc(Cl)cnc2C)C2(CC2)C1
|
CO[C@H](C)[C@@H](C(=O)N1CC[C@](C(=O)NC[C@H](C)C(C)C)(C(C)C)C1)N(C)C
|
C=CCC1(NC(=O)C2CC3(C2)NC(=O)NC3=O)C[C@@H]2CC[C@H](C1)N2C(=O)C(F)F
|
CC(C)C[C@@H](CNC(=O)c1ncn(C(C)C)n1)NC(=O)[C@@H](C)n1cnc(C#N)n1
|
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1Cc1nc(C[C@H]2CC2(F)F)no1
|
CCN(CCNC(=O)[C@@H](C)Sc1nncn1C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1
|
C#CCO[C@H](C)C(=O)NC[C@@H](NC(=O)c1ccc(O)c(CC)c1)C(C)(C)C
|
C#CCCOCC(=O)N[C@](C)(CSC)C(=O)N1CC(O)(CC=C)C1
|
C=CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1)NC(=O)c1cc(C(N)=O)[nH]n1
|
C[C@@H](C(=O)NCc1cn([C@@H]2CCN(C(=O)CCC(C)(C)F)C2)nn1)c1ccsc1
|
CN(C)CCCNC(=O)[C@]1(NC(=O)c2cccc(C#N)c2)CCN(C)C1
|
C[C@H]1CNC(=O)CN1[C@@H](C(=O)NC1CCCC1)c1cc(Cl)nc(C(F)(F)F)c1
|
O=S(=O)(NCc1ccsc1Br)c1ccnn1CC1CC1
|
C[C@@H]1CC[C@H](C(=O)NCCCC2CC2)CN1C(=O)CCCc1ncco1
|
CSC1=C(C(=O)N2CC[C@@H](N(C)C(=O)CS(=O)(=O)C(C)(C)C)[C@@H](C)C2)CCCC1
|
Cc1c(CCC(=O)N[C@H]2C=CCN(C(=O)c3nccnc3N)C2)cnn1C
|
C=C[C@@H]1CCN([C@H](C(=O)N[C@@H](C)c2ccccc2)c2nn(C)c(Br)c2C)C1
|
C[C@@H](CNC(=O)C[C@@H]1CCCC[C@H]1O)CNC(=O)c1ccncc1F
|
CCN1CC[C@H]1C(=O)N1CC[C@](CO)(NC(=O)c2cnn(C3COC3)c2)C1
|
Cc1cc(F)ncc1NC(=O)[C@H](NC(=O)c1sc(O)nc1C)C1(O)CCC1
|
Cc1scnc1C(=O)N[C@]1(CN=c2[nH]c(C3CC3)nc(Cl)c2C)CCCC[C@H]1C
|
O=C(NC/C=C/CNC(=O)[C@@]1(F)CCCOC1)[C@@H]1CCc2cc(F)ccc21
|
C[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1CCNC(=O)CN(C)C(=O)c1ccsc1
|
C=C(Cl)CCC(=O)NCc1nc(C2CCN(C(=O)c3cnc(S)n3C)CC2)n[nH]1
|
CC[C@H]1CN(C(=O)C23CC4CC(CC(C4)C2)C3)CCN1C(=O)c1ccco1
|
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