smiles
stringlengths 6
131
|
|---|
CC/C=C/CC(=O)N1C[C@H]2[C@H](CNC(=O)COCCCF)C[C@H]2C1
|
Cn1nc(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)c2c(F)ccc(Br)c2F)cc1Cl
|
CC(=CC(=O)N1CCC[C@@](O)(CN(C)C(=O)c2cn3cnnc3cn2)C1)C(F)F
|
CCC[C@@H]1CCC[C@H]1C(=O)N1CCN(c2ncc(C(C)(C)O)cn2)[C@@H](C)C1
|
CN(C)CC(C)(C)C(=O)NC[C@H](NC(=O)[C@H]1C[C@@H](O)C1)C1CCC1
|
C[C@@H]1CCC[C@@H]1CC(=O)NC1(CNC(=O)c2ccncc2C2CC2)CCC1
|
COCc1ccc(C(=O)N2CC([C@H](O)C(=O)N[C@@H]3CCC(=O)NC3(C)C)C2)o1
|
C=C=C[C@H](C)C(=O)N[C@@H]1CCC[C@@H]1NC(=O)C=Cc1cncs1
|
CC=C(F)C(=O)N1CC[C@]2(NC(=O)CC)CCCCC[C@H]12
|
CCOCCNC(=O)C[C@@]1(C)C(=O)N=C2C=CC=CN21
|
C[C@@H](NC(=O)CCCF)[C@@H](NC(=O)c1cc2c(Cl)cccc2[nH]1)C1CCCCC1
|
C[C@H](CNC(=NCCc1c[nH]c2cc(Cl)cc(Cl)c12)NCC(C)(C)C)CN(C)C
|
C[C@H](CC(=O)N[C@H]1C[C@@H](NC(=O)Cn2nc3n(c2=O)CCCCC3)C1)P(C)(C)=O
|
COC[C@@H](CC(=O)NCCC(C)(C)C1CC1)NC(=O)C1(F)CC=CC1
|
C=C(C)[C@H](CC(=O)NC[C@H](NC(=O)CCc1ccco1)C1CCC1)OCC
|
COc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)NC3[C@@H]4C[C@@H]4[C@H]4C[C@@H]34)cc2)nn1
|
COCc1ccccc1CC(=O)NC[C@@]1(C)CCCN(C(=O)[C@@]2(C)CC2(C)C)C1
|
C=CC(C)(C)CCCNC(=O)c1cc(CNC(=O)C2CCC2)ccn1
|
CS[C@@H](C)C(=O)NC[C@@]1(NC(=O)c2cc(F)cc(Br)c2F)CCOC1
|
CC(C)CC[C@H](NC(=O)c1ccc(C(N)=O)[nH]1)C(=O)N[C@@H]1COC(C)(C)C1
|
C[C@]1(C(=O)N2CC(C(N)=O)C2)CCN(C(=O)[C@@H]2CCCO2)C1
|
CN(C[C@H]1CCN(C(=O)Cc2cnn3c2OCCC3)C1)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2
|
CCN(C(C)C)[C@@H](CCC(C)C)C(=O)NCCCNC(=O)OC(C)(C)C
|
COc1ccc(Cl)cc1/C=C/C(=O)N[C@@H]1CCN(C(=O)[C@@H](O)Cc2cnc[nH]2)C1
|
C=Cc1ccc(CCNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1
|
CCCC[C@H](CNC(=O)[C@H]1COc2ccccc21)NC(=O)c1ncoc1CC
|
COC(=O)c1ccc(C(=O)NCC[C@H](O)CNC(=O)c2cc3ccccn3n2)s1
|
CC[C@](C)(CNC(=O)[C@H]1CC(=O)CCO1)C(=O)NCc1ccco1
|
C=CCC(=O)N[C@H]1CCN(C(=O)c2cccc(F)c2C)C[C@H]1O
|
CC[C@@H](CCC(=O)N1CC[C@@H]1C(=O)NC1(C(C)C)CCC1)OC
|
CCCC(=O)N1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(Br)n[nH]2)C1
|
Cc1ccc2c(C(=O)N3C[C@@H]4CNC(=O)[C@@H]4C3)onc2c1
|
Cc1nn(C)cc1C(=O)N1CCC[C@](CO)(NC(=O)c2cc(CN(C)C)c[nH]2)C1
|
C[C@H]1C[C@@H]1c1nocc1C(=O)NC[C@H]1C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C1
|
CN(CC[C@@H]1CCCN1C)C(=O)CC1(NC(=O)CC(C)(C)C)CCCCC1
|
Cn1ccc(CNC(=O)[C@H]2CC[C@H]2CNC(=O)C2(O)CC2)cc1=O
|
CO[C@@]1(CNC(=O)N2CC(Oc3ncccn3)C2)CCCOC1
|
C#CC[C@@H](O)C(=O)N[C@H]1C[C@@H](O)[C@H](NC(=O)c2ccc(CSCCC)o2)C1
|
C[C@H](CC(=O)N1CC2(C[C@H](NC(=O)c3ccoc3C3CC3)CO2)C1)C(C)(C)C
|
CC(C)[C@H](CNC(=O)C[C@@H]1CC(C)(C)CCO1)NC(=O)C1(c2nccs2)CC1
|
CCOc1cccc(Cl)c1NC(=O)c1cc(-c2ccnc(OC(C)(C)C)c2)[nH]n1
|
C[C@H](CN1CCOCC1)C(=O)NCC(C)(C)NC(=O)CCC(=O)c1cccs1
|
C[C@]1(NC(=O)[C@H](NC(=O)CC2=CCCCC2)C2CC2)CCCC1(F)F
|
CC[C@@](C)(C#N)C(=O)NCCN(C(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2)C1CCCC1
|
COc1cc(F)ccc1NC(=O)c1ccc2ccc(-c3cn[nH]c3)cc2n1
|
CN(C)C(=O)NCCCNC(=O)C(=O)NCc1cccc2ncccc12
|
COCC(COC)CC(=O)N[C@H](C)[C@H]1CCCCN1C(=O)c1cn(C)nc1C
|
C=CCC1(C(=O)N[C@@H](CCO)C(C)(C)O)CN(C(=O)C[C@H]2CCC(=O)C2)C1
|
Cc1cnc(CCC(=O)N[C@H]2CCCC[C@@H]2CNC(=O)C2=C[C@H]3CC[C@@H](C2)C3)[nH]1
|
Cc1cc(N)c(F)c(C(=O)N2CCC[C@H](N(C)C(=O)c3cc(F)n[nH]3)C2)c1F
|
CCc1nsc(CNC(=O)C[C@]2(C)CCN2C(=O)C2(O)CCCC2)n1
|
Cc1nc(O)ccc1C(=O)N[C@@H](C)[C@@H](C(=O)NCc1cccnc1Cl)C(C)C
|
CCCN(Cc1ccc(CC)cc1)C(=O)c1cccc(CN2CCCNCC2)c1
|
CC(F)(F)[C@H](F)C(=O)N1CCO[C@]2(CCN(C(=O)C3=NO[C@]4(CCOC4)C3)C2)C1
|
CCCc1ccc(C(=O)N[C@H]2[C@@H]3CN(C(=O)c4coc(O)n4)C[C@@H]32)cc1[N+](=O)[O-]
|
C=CCC(CC=C)C(=O)N1CCCC2(CCN(C(=O)C3(F)CC3)C2)C1
|
CCOC1(CS(=O)(=O)N2CCO[C@]3(CCCNC3)C2)CCOCC1
|
O=C(NC[C@H]1CN(C(=O)c2ncc(F)cc2F)CCO1)[C@H]1CCCC1(F)F
|
CCC(=CC(=O)N[C@H]1CSc2cc(Br)ccc21)c1ccc(C)cc1
|
CN(Cc1cc(C#N)ccc1[N+](=O)[O-])C1CN(C(=O)Cc2cc(Br)ccc2Cl)C1
|
CC(C)(CNC(=O)CCC(F)(F)F)NC(=O)c1csc2cccnc12
|
Cc1ncc(C(=O)N(C)CCN(C(=O)Cn2ccc(C(F)(F)F)n2)C(C)C)s1
|
CO[C@@H]1[C@H](NC(=O)[C@@]2(C)C=CCN2C(=O)c2ccc(F)c(F)c2)CC12CCC2
|
CC1(CCC(=O)N2C[C@@H](F)C[C@H]2C(=O)NC[C@H](O)C(F)F)CC1
|
O=C(C[C@@H]1CC[C@H]2C[C@H]12)NC1(C(=O)N[C@H]2CC[C@H](O)C2)CCCCC1
|
O=C(NCC1=CCN(C(=O)CCc2ccccc2F)CC1)C1[C@H]2CS(=O)(=O)C[C@H]12
|
C[C@@H](NC(=O)C12CC(C#N)(C1)C2)[C@H]1CCCN(C(=O)c2cccc3c2CCC3)C1
|
Cc1ccc(CN2C[C@H](C)C[C@H]2C(=O)NCc2ccccn2)o1
|
C[C@H](CC(=O)N1CCC(=CCNC(=O)c2ccc3c(c2)B(O)OC3)CC1)C(F)F
|
COC(=O)c1cnc(C(=O)NCCOCCNC(=O)C[C@@H]2CC(C)=NO2)cn1
|
Cc1cc([C@H](C(=O)NCCC2CC2)N2CC[C@@]3(CCCCN3C)C2)nn1C
|
C#CCN(CC1CC1)C(=O)[C@@]1(C#C)CCN(C(=O)Cn2ncn(C)c2=O)C1
|
O=C(O)[C@H]1CN(Cc2cc(O)cc(Br)c2)C[C@@H]1C1CC1
|
C[C@@H](NC[C@@]1(C)C[C@@H]1c1ccccc1)c1ccc(OCC(F)(F)F)cc1
|
CCCC[C@H](O)[C@@H](C)C(=O)O[C@@H](C)C(=O)c1c[nH]c2ncccc12
|
Cc1cc(C)c(C(=O)NC[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2cccnc2)c(C)n1
|
CCc1cc[nH]c1C(=O)NCc1cccc(CNC(=O)c2ccc(O)cc2)c1
|
C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H]1CCN(C(=O)C(F)(F)c2ccc(Cl)nc2)C1
|
COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@@]2(C)C(=O)NCc2ccc(Br)cc2)C1
|
CC[C@@H](CN(C)C(=O)c1ccn(-c2ccccc2)n1)NC(=O)c1sccc1SC
|
CC[C@@H](C)OCC(=O)N1CC[C@@](N=[N+]=[N-])(C(=O)NCCN2CCOCC2)C1
|
O=C(c1cc(F)c[nH]1)N1CCc2ccc(C(=O)N(CCF)[C@H]3CCOC3)nc2C1
|
CC(C)Cc1ncc(C(=O)NCCCN(C(=O)c2ncc(C(F)F)s2)C2CC2)[nH]1
|
O=C(NCC1(NC(=O)[C@@]23CCCC[C@@H]2C3)CC1)c1cccc2nc(S)oc12
|
O=C(Nc1ncncc1Cl)[C@@H]1C[C@H]1NCc1c[nH]c2ccc(Br)cc12
|
C[C@H](c1ccccc1)[C@H](N)C(=O)NC[C@@H]1CCO[C@H](CN)C1
|
C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](NC(=O)CN(C)c2ncnc3[nH]cnc23)C1
|
C=CC(C)(C)C(=O)NC[C@](C)(NC(=O)c1ccnc(OC)c1Br)C(C)C
|
CN(C(=O)Cc1cnn2c1CCCC2)C1CN(C(=O)C(C)(C)C2CCCCC2)C1
|
C=CC[C@H](CNC(=O)[C@]1(C#N)CC1(C)C)NC(=O)c1cccc2c1OCCCO2
|
Cc1cc(C(=O)NCc2ncc(C(=O)NCCn3ccnn3)cn2)c(N)s1
|
COCc1nn[nH]c1C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC1CC1
|
O=C(NC[C@@H](NC(=O)c1nsnc1O)C1CCC1)c1cc(CC2CCC2)c[nH]1
|
Cc1ccc(CN(CCN(C)C)C(=O)[C@H](C)CC(C)(C)C)o1
|
CO[C@@H]1C[C@@H](CC(=O)NCC2(NC(=O)c3ccc(F)c(O)c3)CCCC2)C1(C)C
|
CCc1cc(N2C[C@H]3CC[C@H]2CN3C(=O)[C@H](C)CN(C)C)nc(C)n1
|
CC1(NC(=O)[C@@]2(F)CCCN(C(=O)[C@H]3CCCSC3)C2)CC(O)(CO)C1
|
CC12CCOC(C(=O)NCCC3(O)CN(C(=O)[C@@H]4NC(=O)OC4(C)C)C3)(C1)C2
|
CCN(CC)CC(=O)NCC12COC(CNc3ncn(C)c(=O)c3Br)(C1)C2
|
CC1(C)C[C@H](CC(=O)N2CCC[C@]3(C=CCO3)C2)N(C(=O)CC2CC(F)(F)C2)C1
|
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