8443 SMILES Strings for Cytochrome P450 3A4

Compound Name
SMILES String
Cc1nc(CN2CCN(CC2)c2c(Cl)cnc3[nH]c(nc23)-c2cn(C)nc2C)no1
NCc1ccc(s1)-c1cccnc1
CNCc1ccc(s1)-c1cccnc1
CN(C)Cc1ccc(s1)-c1cccnc1
NCc1ccc(o1)-c1cccnc1
CNCc1ccc(o1)-c1cccnc1
CN(C)Cc1ccc(o1)-c1cccnc1
NCC#Cc1cccnc1
CNCC#Cc1cccnc1
CN(C)CC#Cc1cccnc1
Cc1ccsc1-c1cccnc1
Cn1cnc(c1)-c1cccnc1
Cc1cncn1-c1cccnc1
Cc1ccsc1-c1ccc(F)nc1
c1cc(cs1)-c1cccnc1
Cc1nccn1-c1cccnc1
c1nc(c[nH]1)-c1cccnc1
Cc1cscc1-c1cccnc1
CC(=O)SCc1ccc(o1)-c1cccnc1
SCc1ccc(o1)-c1cccnc1
CSCc1ccc(o1)-c1cccnc1
C1CSC(S1)c1ccc(o1)-c1cccnc1
NCc1ccc(o1)-c1ccccc1
NCc1ccc(s1)-c1ccccc1
Cc1cscc1-c1ccccc1
c1cc(cs1)-c1ccccc1
Cc1csc(n1)-c1cccnc1
c1cc(n[nH]1)-c1cccnc1
NCCCc1cccnc1
NCc1cc(n[nH]1)-c1cccnc1
NCc1cc(no1)-c1cccnc1
Brc1ccc(cc1)-n1c(SCc2ccccc2)nnc1-c1ccncc1
CCn1c(SCc2ccc(OC)cc2)nnc1-c1ccncc1
CCOc1ccc(NC(=O)c2ccc(cc2)-n2cnnn2)cc1
CCOC(=O)C(Cc1ccc(Cl)cc1Cl)c1ccno1
COc1ccc(cc1)-c1cc(CNS(=O)(=O)c2ccccc2)on1
Clc1ccc(cc1)-n1cc(COC(=O)Nc2ccccc2)nn1
CS(=O)(=O)Cc1cc(nc(n1)-c1ccccc1)N1CCCC1
CS(=O)(=O)Cc1cc(nc(n1)-c1ccncc1)N1CCCC1
Cc1cnc(CNc2cc(nc(n2)-c2ccccn2)-c2ccccc2)nc1
Cc1cnc(CNc2cc(nc(n2)-c2cccnc2)-c2ccccc2)nc1
Cc1cnc(CNc2cc(nc(n2)-c2ccncc2)-c2ccccc2)nc1
CS(=O)(=O)c1ccc(Cn2cc(cn2)-c2ccncc2)cc1
Clc1ccc(Cn2cc(cn2)-c2ccncc2)c(Cl)c1
Cc1cc(cc(C)n1)C(C)(C)NC(=O)C(Br)C(C)(C)C
COc1ccc(CCCOC(Cn2ccnc2)c2ccc(OC)cc2)cc1
Clc1ccc(c(Cl)c1)C1(Cn2cncn2)CC(Br)CO1
CCC1COC(Cn2cncn2)(O1)c1ccc(Cl)cc1Cl
CS(=O)(=O)OCC1COC(Cn2cncn2)(O1)c1ccc(Cl)cc1Cl
COC(=O)[C@H](Cc1cnc[nH]1)NCc1ccccc1 |r|
OC(Cn1cccn1)(c1ccc(F)cc1F)n1cncn1
Clc1ccc(OC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
NCCc1cn(c2ccccc12)S(=O)(=O)c1c(Cl)nc2sccn12
OC1(CCc2cc(ccc12)-c1ccc(F)cc1)c1cccnc1
OC1(CCc2cc(ccc12)-c1ccc(F)cc1)c1ccncc1
COc1ccc(cc1)-c1ccc2c(CCC2(O)c2ccncc2)c1
COc1ccc(cc1F)-c1ccc2c(CCC2(O)c2ccncc2)c1
OC1(CCCc2cc(ccc12)-c1ccc(F)cc1)c1ccncc1
OC1(CCCc2cc(ccc12)-c1ccc(F)c(F)c1)c1ccncc1
COc1ccc(cc1F)-c1ccc2c(CCCC2(O)c2ccncc2)c1
Fc1ccc(cc1)-c1ccc2C(=CCc2c1)c1cccnc1 |c:12|
Fc1ccc(cc1)-c1ccc2C(=CCc2c1)c1ccncc1 |c:12|
COc1ccc(cc1)-c1ccc2C(=CCc2c1)c1ccncc1 |c:13|
Fc1ccc(cc1)-c1ccc2C(=CCCc2c1)c1ccncc1 |c:12|
Fc1ccc(cc1F)-c1ccc2C(=CCCc2c1)c1ccncc1 |c:13|
Oc1ccc(cc1O)-c1ccc2C(=CCCc2c1)c1ccncc1 |c:13|
Oc1ccc(cc1F)-c1ccc2C(=CCCc2c1)c1ccncc1 |c:13|
Fc1ccc(cc1)-c1ccc2C(CCc2c1)c1cccnc1
Fc1ccc(cc1)-c1ccc2C(CCc2c1)c1ccncc1
Fc1ccc(cc1)-c1ccc2C(CCCc2c1)c1ccncc1
Fc1ccc(cc1F)-c1ccc2C(CCCc2c1)c1ccncc1
Oc1ccc(cc1O)-c1ccc2C(CCCc2c1)c1ccncc1
Oc1ccc(cc1F)-c1ccc2C(CCCc2c1)c1ccncc1
CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]3CO[C@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1 |c:21,t:7|
CN(c1ccc2c(C)n[nH]c2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
CN(c1ccc2c(C)nn(C)c2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
CN(c1ccc2c(C)n(Cc3ccccc3)nc2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
CN(c1ccc2cn(C)nc2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
CN(c1ccc2nc(C)n(C)c2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
CN(c1ccc2n(C)c(C)nc2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Cc1cc(cc2c1nc([nH]2)C3=C(C=CNC3=O)NC[C@H](c4cccc(c4)Cl)O)N5CCOCC5
CN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
COCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)C1CCN(CCCF)CC1 |r|
COCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2ccc(OC)c(Cl)c2)cc[nH]c1=O |r|
COc1ccc(cc1Cl)[C@H](O)CNc1cc[nH]c(=O)c1-c1nc2c(C)cc(cc2[nH]1)C1CCN(CCCF)CC1 |r|
CN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NCCn2cc(Cl)cn2)cc[nH]c1=O
Cc1cc(cc2[nH]c(nc12)-c1c(NCCn2cc(Cl)cn2)cc[nH]c1=O)C1CCN(CCO)CC1
COCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NCCn2cc(Cl)cn2)cc[nH]c1=O
Cc1cc(cc2[nH]c(nc12)-c1c(NCCn2cc(Cl)cn2)cc[nH]c1=O)C1CCN(CCCF)CC1
CC(C)(O)CCCC1(C)CC(=O)c2cc(O)c(Br)cc2O1
CC(CCCC(C)(C)O)=CC(=O)c1cc(O)c(Br)cc1O |w:9.9|
OC(=O)CCC(=O)Nc1ccc(cc1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1
CCOC(=O)\C=C\c1c(OC)ccc2cc(ccc12)-c1cccc(OC)c1
CS(=O)(=O)Nc1cccc(c1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1
COc1ccc(cn1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1
CNC(=O)\C=C\c1cc(OC)cc(c1)-c1ccc2cc(OC)ccc2c1
C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(C)n1 |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(=O)n(C)n1 |r|
CCn1nc(ccc1=O)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1 |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(CC(F)(F)F)n1 |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1cc(C)c(=O)n(C)n1 |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1nn(C)c(=O)cc1C |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(CC2CC2)n1 |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(n1)C1CC1 |r|
C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1 |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(F)cc1 |r|
C[C@H](N1CC[C@@](CCC(N)=O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(F)cc1 |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(F)cc1 |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccc(F)cc1)c1ccc(Br)cc1 |r|
C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(OC(F)F)cc1 |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(Br)cc1 |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(c1)C1CC1 |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(c1)C(F)F |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccn(C(F)F)c(=O)c1 |r|
C[C@H](N1CC[C@@](CC(C)(C)C#N)(OC1=O)c1ccccc1)c1ccc(cc1)-c1cc[nH]c(=O)c1 |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1F)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccn(CCF)c(=O)c1 |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1F)c1ccc(cc1)-c1ccn(C)c(=O)c1 |r|
C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|
C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|
CC[C@H](N1CC[C@@](CCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccn(C)c(=O)c1 |r|
C[C@H](N1CC[C@@](CC(C)(C)C#N)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|
C[C@H](N1CC[C@@](CC(C)(C)C#N)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccn(C)c(=O)c1 |r|
CC[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(CC)c1 |r|
CCn1cc(ccc1=O)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1 |r|
CC[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|
CC[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccn(C)c(=O)c1 |r|
CC[C@H](N1CC[C@@](CC)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccn(C)c(=O)c1 |r|
CC(C)n1cc(ccc1=O)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1 |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1cc(C)c(=O)n(C)c1 |r|
CCn1cc(ccc1=O)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccc(F)cc1 |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1cc(C)n(C)c(=O)c1 |r|
CCn1ccc(cc1=O)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1 |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccn(CC(F)(F)F)c(=O)c1 |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(CC(F)(F)F)c1 |r|
CC(C)n1ccc(cc1=O)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1 |r|
C[C@H](N1CC[C@@](CC(C)(C)C#N)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|
CCn1cc(cc(C)c1=O)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1 |r|
C[C@H](N1CC[C@@](CC(C)(C)C#C)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)[nH]c1 |r|
CCn1c(C)cc(cc1=O)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1 |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccn(C2CC2)c(=O)c1 |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(CC2CC2)c1 |r|
COC[C@@]1(CCN([C@@H](C)c2ccc(cc2)-c2ccc(=O)n(C)c2)C(=O)O1)c1ccccc1 |r|
COC[C@@]1(CCN([C@@H](C)c2ccc(cc2)-c2ccn(C)c(=O)c2)C(=O)O1)c1ccccc1 |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1cc(=O)n(C)cc1F |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccn(CC(C)(C)O)c(=O)c1 |r|
COCC(C)Cn1ccc(cc1=O)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1 |r|
CC(CO)Cn1ccc(cc1=O)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1 |r|
COC(C)(C)Cn1ccc(cc1=O)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1 |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1F)c1ccc(cc1)-c1ccn(C2CC2)c(=O)c1 |r|
c1cn(cn1)-c1cccnc1
O=NCc1ccc(s1)-c1cccnc1
Nc1ccc(s1)-c1cccnc1
O=NCc1ccc(o1)-c1cccnc1
O=Cc1ccc(s1)-c1cccnc1
Fc1ccc(cn1)-c1ccsc1
NCC1CCC(O1)c1cccnc1
CC(=O)c1ccc(s1)-c1cccnc1
c1cnc(nc1)-c1cccnc1
Cc1cscc1-c1ccc(F)nc1
Cc1ccc(nc1)-c1cccnc1
C[N@@]1CCC[C@H]1c2cccnc2
COc1cc2ccc(cc2cc1OC)C(O)(C(C)C)c1cnn[nH]1
COc1cc2cnc(cc2cc1OC)C(O)(C(C)C)c1cnn[nH]1
CC(C)C(O)(c1cnn[nH]1)c1ccc2cc(OC(F)F)c(OC(F)F)cc2c1
CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)NCCCCNC(=O)OCc2cncs2
C[C@@H](CC[C@H](C)NC(=O)[C@@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(C)C)NC(=O)OCc1cncs1 |r|
CC[C@@H](CC[C@H](CC)NC(=O)OCc1cncs1)NC(=O)[C@H](CO)NC(=O)N(C)Cc2csc(n2)C(C)C
CCC[C@@H](CC[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc2csc(n2)C(C)C)NC(=O)OCc3cncs3
CC[C@H](C)C(=O)N[C@H](CC[C@H](Cc1ccccc1)NC(=O)OCc2cncs2)Cc3ccccc3
Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
C[C@H](O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
COc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(CC(C)(C)O)c2)cc1
COc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(C[C@H](O)CO)c2)cc1
Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cn[nH]c2)c1
OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(cc1)C#N
OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(cc1)C(F)(F)F
OC(Cn1cncn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(F)cc1
OC(Cn1cncn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(OCC(F)(F)F)cc1
OC(Cn1cncn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(OC(F)(F)F)cc1
OC(Cn1cnnc1)(c1ccc(F)cc1F)C(F)(F)c1ccc2cc(Br)ccc2n1
OC(Cn1cnnc1)(c1ccc(F)cc1F)C(F)(F)c1cnc2cc(Cl)ccc2n1
c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O
C[C@@H](c1c(cncn1)F)[C@](Cn2cncn2)(c3ccc(cc3F)F)O
CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]3CO[C@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl
Cn1cc(C(=O)Nc2ccc(nc2)N2CCCCC2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
COc1ccc(NC(=O)Nc2ccc(cc2)-c2cn(C)c3c(CN4C[C@@H]5N(N(CC=C)CC(=O)N5[C@@H](Cc5ccc(O)cc5)C4=O)C(=O)NCc4ccccc4)cccc23)cn1 |r|
Cn1cc(-c2ccc(NC(=O)Nc3ccccc3)nc2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(-c2ccc(cc2)C(=O)N2CCSCC2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
CC(=O)N1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)-c2cn(C)c3c(CN4C[C@@H]5N(N(CC=C)CC(=O)N5[C@@H](Cc5ccc(O)cc5)C4=O)C(=O)NCc4ccccc4)cccc23)cc1 |r|
CN1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)-c2cn(C)c3c(CN4C[C@@H]5N(N(CC=C)CC(=O)N5[C@@H](Cc5ccc(O)cc5)C4=O)C(=O)NCc4ccccc4)cccc23)cc1 |r|
Cn1cc(-c2ccc(cc2)C(=O)Nc2ccc(nc2)N2CCOCC2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(-c2cccc(c2)C(=O)Nc2ccccc2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(-c2ccc(cc2)C(=O)Nc2cccc(c2)C(N)=O)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(-c2ccc(cc2)C(=O)Nc2cccc(O)c2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(-c2ccc(cc2)C(=O)Nc2ccccc2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(-c2ccc(cc2)C(=O)Nc2ccc(N)cc2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(-c2ccc(cc2)C(=O)Nc2cccc(OCc3ccccc3)c2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
COc1cccc(NC(=O)c2ccc(cc2)-c2cn(C)c3c(CN4C[C@@H]5N(N(CC=C)CC(=O)N5[C@@H](Cc5ccc(O)cc5)C4=O)C(=O)NCc4ccccc4)cccc23)c1 |r|
COc1ccc(NC(=O)c2ccc(cc2)-c2cn(C)c3c(CN4C[C@@H]5N(N(CC=C)CC(=O)N5[C@@H](Cc5ccc(O)cc5)C4=O)C(=O)NCc4ccccc4)cccc23)cc1 |r|
CCCCOc1ccc(NC(=O)c2ccc(cc2)-c2cn(C)c3c(CN4C[C@@H]5N(N(CC=C)CC(=O)N5[C@@H](Cc5ccc(O)cc5)C4=O)C(=O)NCc4ccccc4)cccc23)cc1 |r|
COc1ccc(cc1)N1CCN(CC1)c1ccc(NC(=O)c2cccc(c2)-c2cn(C)c3c(CN4C[C@@H]5N(N(CC=C)CC(=O)N5[C@@H](Cc5ccc(O)cc5)C4=O)C(=O)NCc4ccccc4)cccc23)cc1 |r|
CC(C)Oc1cccc(NC(=O)c2ccc(cc2)-c2cn(C)c3c(CN4C[C@@H]5N(N(CC=C)CC(=O)N5[C@@H](Cc5ccc(O)cc5)C4=O)C(=O)NCc4ccccc4)cccc23)c1 |r|
Cn1cc(-c2ccc(cc2)C(=O)NC2CCC(CC2)NC(=O)OC(C)(C)C)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r,wU:35.37,wD:45.48,(-3.42,4.38,;-2.65,3.05,;-1.12,3.21,;-.5,1.8,;.99,1.4,;1.39,-.09,;2.88,-.48,;3.97,.6,;3.57,2.09,;2.08,2.49,;5.45,.21,;5.85,-1.28,;6.54,1.29,;8.03,.9,;8.43,-.59,;9.92,-.99,;11,.1,;10.61,1.59,;9.12,1.99,;12.49,-.3,;13.58,.79,;13.18,2.28,;15.07,.39,;16.16,1.48,;17.65,1.08,;15.76,2.97,;17.25,2.57,;-1.64,.77,;-1.64,-.77,;-2.97,-1.54,;-4.31,-.77,;-4.31,.77,;-5.64,1.54,;-6.98,.77,;-8.31,1.54,;-9.64,.77,;-10.98,1.54,;-12.31,.77,;-13.64,1.54,;-14.98,.77,;-16.31,1.54,;-12.31,-.77,;-10.98,-1.54,;-10.98,-3.08,;-9.64,-.77,;-8.31,-1.54,;-8.31,-3.08,;-6.98,-3.85,;-6.98,-5.39,;-5.64,-6.16,;-4.31,-5.39,;-2.97,-6.16,;-4.31,-3.85,;-5.64,-3.08,;-6.98,-.77,;-5.64,-1.54,;-10.98,3.08,;-9.64,3.85,;-12.31,3.85,;-13.64,3.08,;-14.98,3.85,;-16.31,3.08,;-17.65,3.85,;-17.65,5.39,;-16.31,6.16,;-14.98,5.39,;-2.97,1.54,)|
Cn1cc(-c2ccc(cc2)C(=O)NNC(C)(C)C)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(-c2ccc(cc2)C(=O)NN2CCN(CC2)c2ccccn2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
CN1CCN(CC1)NC(=O)c1ccc(cc1)-c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
Cn1cc(-c2ccc(NC(=O)c3ccccc3)cc2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
COc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
Cn1cc(-c2ccc(NC(=O)c3ccc(N)cc3)cc2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
CN(C)c1ccc(cc1)C(=O)Nc1ccc(cc1)-c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
CCCCCCCC(=O)Nc1ccc(cc1)-c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
CCN(CC)Cc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
CNc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
CCN(CC)c1ccc(cc1)C(=O)Nc1ccc(cc1)-c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
Cn1cc(-c2ccc(NC(=O)N3CCOCC3)cc2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(-c2ccc(NC(=O)c3ccc(N)nc3)cc2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
CC(=O)CCNCCCC(=O)Nc1ccc(cc1)-c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
Cn1cc(-c2ccc(NC(=O)Nc3ccccc3)cc2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(-c2ccc(NC(=O)NC3CCCCC3)cc2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(-c2ccc(NC(=O)NCCc3ccccc3)cc2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
COc1ccc(NC(=O)Nc2ccc(cc2)-c2cn(C)c3c(CN4C[C@@H]5N(N(CC=C)CC(=O)N5[C@@H](Cc5ccc(O)cc5)C4=O)C(=O)NCc4ccccc4)cccc23)cc1 |r|
Cn1cc(-c2ccc(NC(=O)NC3CCCC3)cc2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(-c2ccc(NC(=O)Nc3ncccn3)cc2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(-c2ccc(NC(=O)Nc3cnccn3)cc2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(-c2ccc(NC(=O)N3CCOCC3)nc2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(-c2ccc(nc2)C(=O)N2CCN(CC2)S(C)(=O)=O)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
CN1CCN(CC1)C(=O)c1ccc(cn1)-c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
Cn1cc(-c2ccc(NC(=O)NCc3ccccc3)nc2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(-c2ccc(NC(=O)NCC(C)(C)C)nc2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(-c2ccc(NC(=O)N3CCN(CC3)S(C)(=O)=O)nc2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
CN1CCC(CC1)NC(=O)Nc1ccc(cn1)-c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
CN(C)C(=O)c1ccc(o1)-c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
COCCN1CCN(CC1)C(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
Cn1cc(C(=O)N2CCN(CCCO)CC2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(C(=O)N2CCN(CCCCO)CC2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
CN(C)CCCN1CCN(CC1)C(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
CC(=O)N1CCN(CC1)C(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
Cn1cc(C(=O)N2CCN(CC2)S(C)(=O)=O)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
CCS(=O)(=O)N1CCN(CC1)C(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
CN1CCN(CC1)C1CCN(CC1)C(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
Cn1cc(C(=O)N2CCN(CC3CCCC3)CC2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(C(=O)N2CCN(CC3CCNCC3)CC2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(C(=O)N2CCN(CCN3CCCCC3)CC2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(C(=O)N2CCN(CCN3CCOCC3)CC2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(C(=O)NN2CCN(CC2)c2ccccn2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
CN1CCCN(CC1)C(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
Cn1cc(C(=O)N2CCN3CCCC3C2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
CC(=O)N1CCN2CCN(CC2C1)C(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
CC(C)CN1CCN2CCN(CC2C1)C(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
Cn1cc(C(=O)N2CCN3CCN(CC3C2)C(=O)OC(C)(C)C)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(C(=O)N2CCN3CCN(CC3C2)C=O)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
CCN1CCN2CCN(CC2C1)C(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
Cn1cc(C(=O)N2CCC(O)CC2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
COC1CCN(CC1)C(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
CCOC(=O)C1CCN(CC1)C(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
CN(C)CCN(C)C(=O)C1CCN(CC1)C(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
Cn1cc(C(=O)N2CCC(CC2)NC(=O)CCO)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
CN(C)c1ccc(cc1)C(=O)NC1CCN(CC1)C(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
CN1CCN(CC1)c1ccc(cc1)C(=O)NC1CCN(CC1)C(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
CN(C)C1CCN(CC1)C(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
CN1CCC(CC1)N1CCN(CC1)C(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
Cn1cc(C(=O)N2CCC(CC2)N2CCOCC2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
CN1CCC2CN(CC12)C(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
CN1CC2CCN(C2C1)C(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
Cn1cc(C(=O)N2CC(O)C2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
CN1CCN(CC1)C1CN(C1)C(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
Cn1cc(C(=O)N2CC(C2)N2CCOCC2)c2cccc(CN3C[C@H]4N([C@@H](Cc5ccc(O)cc5)C3=O)C(=O)CN(CC=C)N4C(=O)NCc3ccccc3)c12 |r|
COC1CCN(CC1)C1CN(C1)C(=O)c1cn(C)c2c(CN3C[C@H]4N([C@@H](Cc5ccc(O)cc5)C3=O)C(=O)CN(CC=C)N4C(=O)NCc3ccccc3)cccc12 |r|
Cn1cc(C(=O)N2CCOCC2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
CN1CCN(CC1)C(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
CCN1CCN(CC1)C(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
CC(C)N1CCN(CC1)C(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
Cn1cc(C(=O)N2CCN(CCO)CC2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
CN(C)C(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
CN(CCO)C(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
Cn1cc(C(=O)NCCCO)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
CN(CCCO)C(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
COCCCNC(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
Cn1cc(C(=O)NCCOCCO)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
CN(CC1(CO)CC1)C(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
COCCCCNC(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
CN(C)CCNC(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
CCN(CC)CCNC(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
CN(C)CCCNC(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
Cn1cc(C(=O)N(CCO)CCNCCO)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
COC(=O)[C@@H](C)NC(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
CCOC(=O)CCNC(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
COC(=O)CCCNC(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
Cn1cc(C(=O)NCCCC(O)=O)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(C(=O)NCCN2CCOCC2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
CN(CCN1CCOCC1)C(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
CN1CCN(CCNC(=O)c2cn(C)c3c(CN4C[C@@H]5N(N(CC=C)CC(=O)N5[C@@H](Cc5ccc(O)cc5)C4=O)C(=O)NCc4ccccc4)cccc23)CC1 |r|
CN(CCN1CCN(C)CC1)C(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
Cn1cc(C(=O)NCCCN2CCOCC2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
CN1CCN(CCCNC(=O)c2cn(C)c3c(CN4C[C@@H]5N(N(CC=C)CC(=O)N5[C@@H](Cc5ccc(O)cc5)C4=O)C(=O)NCc4ccccc4)cccc23)CC1 |r|
CN(CC(=O)N1CCN(C)CC1)C(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
CN(CCn1ccnc1C)C(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
CN(C)c1ccc(CNC(=O)c2cn(C)c3c(CN4C[C@@H]5N(N(CC=C)CC(=O)N5[C@@H](Cc5ccc(O)cc5)C4=O)C(=O)NCc4ccccc4)cccc23)cn1 |r|
CN(C)c1cc(CNC(=O)c2cn(C)c3c(CN4C[C@@H]5N(N(CC=C)CC(=O)N5[C@@H](Cc5ccc(O)cc5)C4=O)C(=O)NCc4ccccc4)cccc23)ccn1 |r|
CNN(C)C(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
CCOC(=O)CNNC(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
Cn1cc(C(=O)NN2CCCC2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(C(=O)NN2CCCCC2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(C(=O)NN2CCOCC2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(C(=O)NN2CCN(CC2)C2CCCC2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(C(=O)NNc2ccccc2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(C(=O)NC2CCN(CC2)C(=O)OC(C)(C)C)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(C(=O)NC2CCN(CCCO)CC2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
CC(=O)N1CCC(CC1)NC(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
Cn1cc(C(=O)NC2CCN(CC2)C(=O)CCO)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
CN(C)c1ccc(cc1)C(=O)N1CCC(CC1)NC(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
CN1CCN(CC1)c1ccc(cc1)C(=O)N1CCC(CC1)NC(=O)c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
Cn1cc(C(=O)Nc2ccc(F)nc2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
COc1ccc(NC(=O)c2cn(C)c3c(CN4C[C@@H]5N(N(CC=C)CC(=O)N5[C@@H](Cc5ccc(O)cc5)C4=O)C(=O)NCc4ccccc4)cccc23)cc1 |r|
COc1ccc(NC(=O)c2cn(C)c3c(CN4CC5N(N(CC=C)CC(=O)N5[C@@H](Cc5ccc(O)cc5)C4=O)C(=O)NCc4ccccc4)cccc23)cn1 |r|
Cn1cc(C(=O)Nc2ccc(OC(C)(C)C)cc2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(C(=O)Nc2ccc(CCO)cc2)c2cccc(CN3CC4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
COCCOc1ccc(NC(=O)c2cn(C)c3c(CN4C[C@@H]5N(N(CC=C)CC(=O)N5[C@@H](Cc5ccc(O)cc5)C4=O)C(=O)NCc4ccccc4)cccc23)cn1 |r|
CN(C)CCOc1ccc(NC(=O)c2cn(C)c3c(CN4C[C@@H]5N(N(CC=C)CC(=O)N5[C@@H](Cc5ccc(O)cc5)C4=O)C(=O)NCc4ccccc4)cccc23)cn1 |r|
CN(C)CCCOc1ccc(NC(=O)c2cn(C)c3c(CN4C[C@@H]5N(N(CC=C)CC(=O)N5[C@@H](Cc5ccc(O)cc5)C4=O)C(=O)NCc4ccccc4)cccc23)cn1 |r|
CN(C)c1ccc(NC(=O)c2cn(C)c3c(CN4C[C@@H]5N(N(CC=C)CC(=O)N5[C@@H](Cc5ccc(O)cc5)C4=O)C(=O)NCc4ccccc4)cccc23)cn1 |r|
CN(CCO)c1ccc(NC(=O)c2cn(C)c3c(CN4C[C@@H]5N(N(CC=C)CC(=O)N5[C@@H](Cc5ccc(O)cc5)C4=O)C(=O)NCc4ccccc4)cccc23)cn1 |r|
Cn1cc(C(=O)Nc2ccc(NCC(O)CO)nc2)c2cccc(CN3CC4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(C(=O)Nc2ccc(NCC(C)(C)C)nc2)c2cccc(CN3CC4N(N(CC=C)CC(=O)N4C(Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12
CN(C)CCNc1ccc(NC(=O)c2cn(C)c3c(CN4C[C@@H]5N(N(CC=C)CC(=O)N5[C@@H](Cc5ccc(O)cc5)C4=O)C(=O)NCc4ccccc4)cccc23)cn1 |r|
CCN(CC)CCNc1ccc(NC(=O)c2cn(C)c3c(CN4CC5N(N(CC=C)CC(=O)N5[C@@H](Cc5ccc(O)cc5)C4=O)C(=O)NCc4ccccc4)cccc23)cn1 |r|
CC(C)N(CCNc1ccc(NC(=O)c2cn(C)c3c(CN4CC5N(N(CC=C)CC(=O)N5C(Cc5ccc(O)cc5)C4=O)C(=O)NCc4ccccc4)cccc23)cn1)C(C)C
CCN(CC)CCN(CCN(CC)CC)c1ccc(NC(=O)c2cn(C)c3c(CN4CC5N(N(CC=C)CC(=O)N5C(Cc5ccc(O)cc5)C4=O)C(=O)NCc4ccccc4)cccc23)cn1
Cn1cc(C(=O)Nc2ccc(NCCN3CCCCC3)nc2)c2cccc(CN3CC4N(N(CC=C)CC(=O)N4C(Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12
Cn1cc(C(=O)Nc2ccc(NCCN3CCOCC3)nc2)c2cccc(CN3CC4N(N(CC=C)CC(=O)N4C(Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12
Cn1cc(C(=O)Nc2ccc(NCCN3CCC(O)CC3)nc2)c2cccc(CN3CC4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(C(=O)Nc2ccc(OCCCN3CCCCC3)nc2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(C(=O)Nc2ccc(NCCCN3CCCC3)nc2)c2cccc(CN3CC4N(N(CC=C)CC(=O)N4C(Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12
Cn1cc(C(=O)Nc2ccc(nc2)N2CCOCC2)c2cccc(CN3CC4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(C(=O)Nc2ccc(nc2)N2CCC(O)CC2)c2cccc(CN3CC4N(N(CC=C)CC(=O)N4C(Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12
COC1CCN(CC1)c1ccc(NC(=O)c2cn(C)c3c(CN4C[C@@H]5N(N(CC=C)CC(=O)N5[C@@H](Cc5ccc(O)cc5)C4=O)C(=O)NCc4ccccc4)cccc23)cn1 |r|
Cn1cc(C(=O)Nc2ccc(nc2)N2CCNCC2)c2cccc(CN3CC4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
CN1CCN(CC1)c1ccc(NC(=O)c2cn(C)c3c(CN4CC5N(N(CC=C)CC(=O)N5[C@@H](Cc5ccc(O)cc5)C4=O)C(=O)NCc4ccccc4)cccc23)cn1 |r|
CCN1CCN(CC1)c1ccc(NC(=O)c2cn(C)c3c(CN4CC5N(N(CC=C)CC(=O)N5[C@@H](Cc5ccc(O)cc5)C4=O)C(=O)NCc4ccccc4)cccc23)cn1 |r|
CCCN1CCN(CC1)c1ccc(NC(=O)c2cn(C)c3c(CN4CC5N(N(CC=C)CC(=O)N5C(Cc5ccc(O)cc5)C4=O)C(=O)NCc4ccccc4)cccc23)cn1
Cn1cc(C(=O)Nc2ccc(nc2)N2CCN(CCO)CC2)c2cccc(CN3CC4N(N(CC=C)CC(=O)N4C(Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12
CC(C)N1CCN(CC1)c1ccc(NC(=O)c2cn(C)c3c(CN4CC5N(N(CC=C)CC(=O)N5[C@@H](Cc5ccc(O)cc5)C4=O)C(=O)NCc4ccccc4)cccc23)cn1 |r|
CC(C)N1CCN(CC1)c1ncc(NC(=O)c2cn(C)c3c(CN4C[C@@H]5N(N(CC=C)CC(=O)N5[C@@H](Cc5ccc(O)cc5)C4=O)C(=O)NCc4ccccc4)cccc23)cn1 |r|
Cn1cc(C(=O)Nc2ccc(nc2)N2CCN(CC2)C(C)(C)C)c2cccc(CN3CC4N(N(CC=C)CC(=O)N4C(Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12
Cn1cc(C(=O)Nc2ccc(nc2)N2CCN(CC2)C2CC2)c2cccc(CN3CC4N(N(CC=C)CC(=O)N4C(Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12
Cn1cc(C(=O)Nc2ccc(nc2)N2CCN(CC2)C2CCCC2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(C(=O)Nc2ccc(nc2)N2CCC(CC2)N2CCCC2)c2cccc(CN3CC4N(N(CC=C)CC(=O)N4C(Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12
CN1C(C)(C)CC(CC1(C)C)Nc1ccc(NC(=O)c2cn(C)c3c(CN4CC5N(N(CC=C)CC(=O)N5C(Cc5ccc(O)cc5)C4=O)C(=O)NCc4ccccc4)cccc23)cn1
CC(=O)N1CCN(CC1)c1ccc(NC(=O)c2cn(C)c3c(CN4CC5N(N(CC=C)CC(=O)N5C(Cc5ccc(O)cc5)C4=O)C(=O)NCc4ccccc4)cccc23)cn1
Cn1cc(C(=O)Nc2ccc(nc2)N2CCC(CC2)N2CCC2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(C(=O)Nc2ccc(nc2)N2CCC(CC2)N2CCCCC2)c2cccc(CN3CC4N(N(CC=C)CC(=O)N4C(Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12
CN1CCN(CC1)C1CCN(CC1)c1ccc(NC(=O)c2cn(C)c3c(CN4C[C@@H]5N(N(CC=C)CC(=O)N5[C@@H](Cc5ccc(O)cc5)C4=O)C(=O)NCc4ccccc4)cccc23)cn1 |r|
Cn1cc(C(=O)Nc2ccc(nc2)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)c2cccc(CN3CC4N(N(CC=C)CC(=O)N4C(Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12
COc1ccccc1N1CCN(CC1)c1ccc(NC(=O)c2cn(C)c3c(CN4CC5N(N(CC=C)CC(=O)N5C(Cc5ccc(O)cc5)C4=O)C(=O)NCc4ccccc4)cccc23)cn1
COc1ccc(CN2CCN(CC2)c2ccc(NC(=O)c3cn(C)c4c(CN5CC6N(N(CC=C)CC(=O)N6C(Cc6ccc(O)cc6)C5=O)C(=O)NCc5ccccc5)cccc34)cn2)cc1
Cn1cc(C(=O)Nc2ccc(nc2)N2CC(O)C2)c2cccc(CN3C[C@H]4N([C@@H](Cc5ccc(O)cc5)C3=O)C(=O)CN(CC=C)N4C(=O)NCc3ccccc3)c12 |r|
CN1CCN(CC1)C1CN(C1)c1ccc(NC(=O)c2cn(C)c3c(CN4C[C@H]5N([C@@H](Cc6ccc(O)cc6)C4=O)C(=O)CN(CC=C)N5C(=O)NCc4ccccc4)cccc23)cn1 |r|
COC1CCN(CC1)C1CN(C1)c1ccc(NC(=O)c2cn(C)c3c(CN4C[C@H]5N([C@@H](Cc6ccc(O)cc6)C4=O)C(=O)CN(CC=C)N5C(=O)NCc4ccccc4)cccc23)cn1 |r|
CN1CCC2CN(CC12)c1ccc(NC(=O)c2cn(C)c3c(CN4C[C@H]5N([C@@H](Cc6ccc(O)cc6)C4=O)C(=O)CN(CC=C)N5C(=O)NCc4ccccc4)cccc23)cn1 |r|
CCN1CCC2(CCN(C2)c2ccc(NC(=O)c3cn(C)c4c(CN5CC6N(N(CC=C)CC(=O)N6[C@@H](Cc6ccc(O)cc6)C5=O)C(=O)NCc5ccccc5)cccc34)cn2)C1 |r|
Cn1cc(C(=O)Nc2ccc(nc2)N2CCC3CCCN3C2)c2cccc(CN3CC4N([C@@H](Cc5ccc(O)cc5)C3=O)C(=O)CN(CC=C)N4C(=O)NCc3ccccc3)c12 |r|
CN1CCCN(CC1)c1ccc(NC(=O)c2cn(C)c3c(CN4C[C@@H]5N(N(CC=C)CC(=O)N5[C@@H](Cc5ccc(O)cc5)C4=O)C(=O)NCc4ccccc4)cccc23)cn1 |r|
Cn1cc(-c2ccc(NC(=O)N3CCN(CC3)S(C)(=O)=O)nc2)c2cccc(CN3CC4N(N(CC=C)CC(=O)N4C(Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12
Cn1cc(C(=O)Nc2ccc3OCCOc3c2)c2cccc(CN3CC4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
COC(=O)c1ccc(cc1)-c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
Cn1cc(-c2ccc(cc2)C#N)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(-c2ccc(cc2)S(C)(=O)=O)c2cccc(CN3CC4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
CCOC(=O)NC(=S)Nc1ccc(cn1)-c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
Cn1cc(-c2ccc(NC(=S)NC(=O)c3ccccc3)nc2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
Cn1cc(-c2cnc3ccccc3c2)c2cccc(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)c12 |r|
CN(C)c1ncc(cn1)-c1cn(C)c2c(CN3C[C@@H]4N(N(CC=C)CC(=O)N4[C@@H](Cc4ccc(O)cc4)C3=O)C(=O)NCc3ccccc3)cccc12 |r|
CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)c(F)c1 |r|
COc1cc(NC(=O)C[C@@]2(C)C[C@@H]([C@H](N([C@H](CS(=O)(=O)C(C)(C)C)C3CC3)C2=O)c2ccc(Cl)cc2)c2cccc(Cl)c2)ccc1C(O)=O |r|
CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(N)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)C(C)(C)C)C2CC2)c3ccc(c(c3)F)Cl)c4cccc(c4)Cl)CC(=O)Nc5ccc(c(c5)OC)C(=O)O
CC(C)c1nc(CN(C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 |r|
CC(C)c1nc(CN(C)C(=O)N2C[C@@H](O)C[C@H]2C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 |r|
CC(C)c1nc(CN(C)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC[C@@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 |r|
CC(C)c1nc(CN(C)C(=O)N2CSC[C@H]2C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 |r|
CC(C)c1nc(CN(C)C(=O)N2CS(=O)(=O)C[C@H]2C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 |r|
CC(C)c1nc(CN(C)C(=O)NC2(CCN(C)CC2)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 |r|
CC(C)c1nc(CN(C)C(=O)NC2(CCNCC2)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 |r|
CC(C)c1nc(CN(C)C(=O)N2CCN(C)C[C@H]2C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 |r|
CC(C)c1nc(CN(C)C(=O)N2C[C@@H](N)C[C@H]2C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 |r|
CN[C@H]1C[C@H](N(C1)C(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](CC[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1 |r|
CC(C)c1nc(CN(C)C(=O)N2C[C@H](C[C@H]2C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)N(C)C)cs1 |r|
CC(C)c1nc(CN(C)C(=O)N2C[C@H](C[C@H]2C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)N2CCOCC2)cs1 |r|
CC(C)c1nc(CN(C)C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@H](CC[C@@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)N2CCOCC2)cs1 |r|
CC(C)c1nc(CN(C)C(=O)N2C[C@H](C[C@H]2C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)NC(C)=O)cs1 |r|
CC(C)c1nc(CN(C)C(=O)N2CCC[C@H]2C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 |r|
CC(C)c1nc(CN(C)C(=O)N2CCC[C@@H]2C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 |r|
CC(C)c1nc(CN(C)C(=O)N2Cc3nc[nH]c3C[C@H]2C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1 |r|
CC(C)C(O)c1ccc2cc(OCC(F)(F)F)ccc2c1
CC(C)C(c1ccc2cc(OCC(F)(F)F)ccc2c1)n1ncnn1
COc1cc2ccc(cc2cc1OC)C(C(C)C)n1ncnn1
CC(C)C(c1ccc2cc(OC(F)F)ccc2c1)n1ncnn1
CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@@H]3CO[C@@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl
COc1ccc(CNc2ncc(Cc3c[nH]c4ncc(C)cc34)cc2F)cn1
COc1ccc(CNc2ccc(Cc3c[nH]c4ncc(F)cc34)c(F)n2)cn1
COc1ncc(F)cc1CNc1ccc(Cc2c[nH]c3ncc(NC(C)=O)cc23)c(F)n1
CS(=O)(=O)Nc1cnc2[nH]cc(Cc3ccc(NCc4ccc(Cl)nc4)nc3F)c2c1
Fc1cncc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)c(F)n2)c1
Clc1cnc2[nH]cc(Cc3ccc(NCc4ccc(Cl)nc4)nc3)c2c1
Fc1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1
Cc1cnc2[nH]cc(Cc3ccc(NCc4ccc(nc4)C(F)(F)F)nc3)c2c1
COc1cnc2[nH]cc(Cc3ccc(NCc4cncc(F)c4)nc3F)c2c1
COc1ccc(CNc2ccc(Cc3c[nH]c4ncc(C)cc34)c(F)n2)cn1
COc1cnc2[nH]cc(Cc3ccc(NCc4ccc(OC)nc4)nc3F)c2c1
Cc1cnc2[nH]cc(Cc3ccc(NCc4ccc(nc4)C(F)(F)F)nc3F)c2c1
COc1cnc2[nH]cc(Cc3ccc(NCc4ccc(Cl)cc4)nc3F)c2c1
COc1ccnc2[nH]cc(Cc3ccc(NCc4ccc(Cl)cc4)nc3F)c12
COc1ccc(CNc2ncc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1
COc1cnc2[nH]cc(Cc3ccc(NCc4cccnc4OC)nc3F)c2c1
COc1ncccc1CNc1ccc(Cc2c[nH]c3ncccc23)c(F)n1
COc1cnc(CNc2ccc(Cc3c[nH]c4ncc(C)cc34)c(F)n2)cc1F
Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F
COc1ncccc1CNc1ccc(Cc2c[nH]c3ncc(C)cc23)c(F)n1
COc1ccc(CNc2ncc(Cc3c[nH]c4ncc(C)cc34)cn2)cn1
COc1ncc(F)cc1CNc1ncc(Cc2c[nH]c3ncc(C)cc23)cn1
Cc1cnc2[nH]cc(Cc3ccc(NCc4cnccc4C(F)(F)F)nc3F)c2c1
FC(F)(F)c1ccncc1CNc1ccc(Cc2c[nH]c3ncc(Cl)cc23)cn1
COc1ncc(F)cc1CNc1ncc(Cc2c[nH]c3ncc(Cl)cc23)cn1
Cc1cnc2[nH]cc(Cc3ccc(NCc4ccnc(C)c4)nc3F)c2c1
COc1cc(CNc2ccc(Cc3c[nH]c4ncc(C)cc34)c(F)n2)c(F)cn1
COc1ncc(CNc2ncc(Cc3c[nH]c4ncc(C)cc34)cn2)cc1F
Cc1cc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)c(F)n2)ccn1
Cc1cnc2[nH]cc(Cc3cnc(NCc4ccc(Cl)nc4)nc3)c2c1
Cc1cnc2[nH]cc(Cc3cnc(NCc4cccc(C)n4)nc3)c2c1
Cc1cnc2[nH]cc(Cc3cnc(NCc4cccc(n4)N4CCOCC4)nc3)c2c1
Cc1cnc2[nH]cc(Cc3cnc(NCc4cccc(n4)N4CCCC4)nc3)c2c1
Cc1cnc2[nH]cc(Cc3ccc(NCc4ccc(Cl)nc4)nc3F)c2c1
COc1ccc(CNc2ccc(Cc3c[nH]c4ncc(C)cc34)c(F)n2)c(OC)n1
Cc1cnc2[nH]cc(Cc3ccc(NCc4cccnc4F)nc3F)c2c1
Cc1cnc2[nH]cc(Cc3ccc(NCc4ccnc(F)c4)nc3F)c2c1
Cc1ccc(CNc2ccc(Cc3c[nH]c4ncc(C)cc34)c(F)n2)nc1
COc1ncccc1CNc1ncc(Cc2c[nH]c3ncc(C)cc23)cn1
Cc1cnc2[nH]cc(Cc3cnc(NCc4ccc(nc4)C(F)(F)F)c(F)c3)c2c1
COc1cnc2[nH]cc(Cc3cnc(NCc4ccc(nc4)C(F)(F)F)c(F)c3)c2c1
Cn1cc(F)cc(CNc2ncc(Cc3c[nH]c4ncc(Cl)cc34)cn2)c1=O
COc1ncc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)c(F)n2)cc1F
Fc1cc(Cc2c[nH]c3ncc(Cl)cc23)cnc1NCc1ccc(nc1)C(F)(F)F
COc1ncc(F)cc1CNc1ccc(Cc2c[nH]c3ncc(cc23)C#N)c(F)n1
CCS(=O)(=O)Nc1ccccc1CNc1ccc(Cc2c[nH]c3ncc(C)cc23)c(F)n1
CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1ccnc1
c1cn(cn1)-c1ccccc1
c1nc(c[nH]1)-c1ccccc1
c1ccc(cc1)Cn2ccnc2
c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Cc1nccn1Cc1ccccc1
c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4
c1c[nH]c(n1)-c1ccccc1
Clc1cccc(c1)C(c1ccc2nc[nH]c2c1)n1ccnc1
C=CN(C=N)C(c1ccccc1)c1ccc(cc1)-c1ccccc1
CC(=O)c1ccc(cc1)-n1ccnc1
CC(C)(c1cccnc1)C(=O)c2cccnc2
CCCCOCCOCCOCc1cc2OCOc2cc1CCC
c1cc(c(cc1Cl)Cl)CO[C@@H](Cn2ccnc2)c3ccc(cc3Cl)Cl
CCCN(CC)C(=O)\C=C\C=C\c1ccc2OCOc2c1
NCCCn1ccnc1
c1cc(ccc1C(=N)N)OCCCCCCOc2ccc(cc2)C(=N)N
Nc1nc(Cc2ccccc2)nc2nc[nH]c12
N[C@@H](Cc1c[nH]cn1)C(O)=O |r|
CN\C(NC#N)=N\CCSCc1nc[nH]c1C
Cc1ccc2cc3c(ccc4ccccc34)c3CCc1c23
c1[nH]nc(c1-c1ccnc2ccccc12)-c1ccccn1
CCc1cccc(C)c1N(C(C)CCO)C(=O)CCl
CCc1nc(C)c[nH]1
c1[nH]c2c(n1)c(ncn2)Cl
C(CC(=O)N)[C@@H](C(=O)O)N
c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N
c1ccc2c(c1)[nH]cn2
c1ccc(cc1)-c1nc2ccccc2[nH]1
Cn1ccnc1
c1c2c(cc(c1F)N3CCNCC3)N(C=C(C2=O)C(=O)O)C4CC4
CCCOC(=O)[C@H](C)[C@@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@H](C)[C@@H](O[C@H](OC(C)C)[C@H](O)CN(C)C)[C@](C)(O)C[C@@H](C)C(O)[C@H](C)[C@@H](O)[C@H](C)O |r|
C=Cn1ccnc1
Clc1ccccc1-c1nc2ccccc2[nH]1
Nc1nc[nH]n1
OS(=O)(=O)c1ccc2[nH]c(nc2c1)-c1ccccc1
COc1ccc(cc1)[C@@H]1Sc2ccccc2N(C(C)N(C)C)C(=O)[C@@H]1OC(C)=O |r|
c1c[nH]cn1
Cc1[nH]ccn1
N[C@H](CCC(N)=O)C(O)=O |r|
CCCCc1nc(Cl)cn1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Cc1cccc(C)c1N(Cn1cccn1)C(=O)CCl
N[C@@H](CCCNC(N)=N)C(O)=O |r|
Oc1ncnc2[nH]ncc12
CC(NC(=O)[C@@H](N)CCC(O)=O)c1ncc[nH]1 |r|
O=C(n1ccnc1)n1ccnc1
CCc1[nH]ccn1
Cn1c2[nH]cnc2c(=O)n(C)c1=O
CC(=O)n1ccnc1
C([C@@H](C(=O)O)N)C(=O)N
CCCCc1nc(C=O)c(Cl)[nH]1
CC1=C(C(CCC1)(C)C)/C=C/C(=O)C
CC1=N[C@@H](CCN1)C(O)=O |r,t:1|
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)C(C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC |r|
CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N
CCCCNC(=O)n1c(NC(=O)OC)nc2ccccc12
C(C1CCCNC1)c1c[nH]cn1
C[C@H]1\C=C\C=C(C)/C(=O)Nc2c(O)c3c(O)c(C)c4O[C@](C)(O\C=C\[C@H](CO)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H]1O)C(=O)c4c3c(O)c2\C=N\N1CCN(C)CC1 |r,t:2,4,23|
CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r|
CCC[C@H](NC)[C@@H](O)[C@@H](O)OCCC[C@](C)(O)C1O[C@H]([C@H](CC)OCC[C@H](OC)[C@@H](O)[C@H](C)O)C(O)OC[C@H](C)[C@H](OC(C)O)[C@H]1C |r|
CN1C=CNC1=S
CCN1C=C(C(=O)c2c1nc(cc2)C)C(=O)O
Nc1ncnc2[nH]cnc12
c1coc(c1)-c1nc2ccccc2[nH]1
C(Nc1ncnc2[nH]cnc12)c1ccco1
ClC1CC=CC=C1C(c1ccccc1)(c1ccccc1)n1ccnc1 |c:3,5|
c1ccc(cc1)c2ccc(cc2)[C@H](c3ccccc3)n4ccnc4
CCc1cccc(C)c1N([C@@H](C)COC)C(=O)CCl |r|
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](C)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O |r|
CCOO[C@@H]1[C@@H](Sc2ccccc2N(CCN(C)C)C1=O)c1ccc(OC)cc1 |r|
CCCCc1nc(Cl)c(COC(c2ccccc2)(c2ccccc2)c2ccccc2)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
C[C@H]1\C=C\C=C(C)/C(=O)Nc2c(O)c3c(O)c(C)c4O[C@](C)(OC=C[C@H](CO)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H]1O)C(=O)c4c3c(O)c2\C=N\N1CCN(C)CC1 |r,w:23.22,t:2,4|
CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)C(C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r|
CCC[C@@H]([C@@H](OC(C)=O)[C@@H](O)OCCCC(C)(O)C(=O)[C@H](C)[C@@H](OC(C)=O)[C@@H](C)COC(=O)[C@H](C)[C@H](CC)OCC[C@H](OC)[C@@H](OC(C)=O)[C@H](C)O)N(C)C |r|
COc1cc2ccc(cc2cc1OC)C(O)(C(C)C)c1cncs1
O=C(N1CCOC[C@H]1Cc1cccc(c1)-c1ncon1)c1ccccc1-n1nccn1
Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1ncon1)-n1nccn1
COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1ccccn1
COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1cccnc1
COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1ncccn1
COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1cnccn1
COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1cccnn1
COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1nccs1
COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1ncco1
Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-n1nccn1)-n1nccn1
O=C(N1CCOC[C@H]1Cc1cccc(c1)-n1nccn1)c1ccccc1-n1nccn1
COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-n1cccn1
Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-n1ccnn1)-n1nccn1
O=C(N1CCOC[C@H]1Cc1cccc(c1)-n1cccn1)c1ccccc1-n1nccn1
Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1ncccn1)-n1nccn1
O=C(N1CCOC[C@H]1Cc1cccc(c1)-c1ncccn1)c1ccccc1-n1nccn1
Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-n1cccn1)-n1nccn1
Fc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-n1cccn1)-n1nccn1
Cc1ccc(c(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2cccn2)c1F)-n1nccn1
Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2cccn2)c(c1)-n1nccn1
Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-n1cncn1)-n1nccn1
Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1ccccn1)-n1nccn1
Fc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-n1nccn1)-n1nccn1
Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2nccn2)c(c1)-n1nccn1
Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1ccncc1)-n1nccn1
Cc1ccc(c(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2nccn2)c1F)-n1nccn1
Clc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-n1nccn1)-n1nccn1
O=C(N1CCOC[C@H]1Cc1cccc(c1)-n1nccn1)c1cc(ccc1-n1nccn1)C#N
COc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-n1nccn1)-n1nccn1
COc1ccc(c(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2nccn2)c1F)-n1nccn1
COc1cc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2nccn2)c(cc1OC)-n1nccn1
Cc1cc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2nccn2)c(cc1C)-n1nccn1
Fc1ccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2nccn2)c(c1)-n1nccn1
COc1cc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2nccn2)c(cc1C)-n1nccn1
Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1nccc(C)n1)-n1nccn1
O=C(N1CCOC[C@H]1Cc1cccc(c1)-c1ncco1)c1ccccc1-n1nccn1
Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1nccs1)-n1nccn1
O=C(N1CCOC[C@H]1Cc1cccc(c1)-c1nccs1)c1ccccc1-n1nccn1
Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1cccnn1)-n1nccn1
O=C(N1CCOC[C@H]1Cc1cccc(c1)-c1cccnn1)c1ccccc1-n1nccn1
Cc1ccc(c(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-c2ncccn2)c1F)-n1nccn1
COc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1ncccn1)-n1nccn1
Clc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1ncccn1)-n1nccn1
Cc1ccc(c(n1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-n1nccn1)-n1nccn1
Cc1ccc(c(n1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-n1cccn1)-n1nccn1
Fc1cccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2nccn2)c1-n1nccn1
Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cc(ccc1F)-n1nccn1)-n1nccn1
Fc1ccc(cc1C[C@@H]1COCCN1C(=O)c1ccccc1-n1nccn1)-n1nccn1
COc1ccc(C[C@@H]2COCCN2C(=O)c2cc(C)ccc2-n2nccn2)cc1-c1ncon1
COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1ncon1
COc1ccc(C[C@@H]2COCCN2C(=O)c2ccc(C)cc2-n2nccn2)cc1-c1ncon1
COc1ccc(C[C@@H]2COCCN2C(=O)c2ccc(F)cc2-n2nccn2)cc1-c1ncon1
Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2F)-n2nccn2)c(c1)-n1nccn1
Cc1cccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2nccn2)c1-n1nccn1
Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1ccc(C)c(c1)-n1nccn1)-n1nccn1
Cc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-n1nccn1
Cc1ccc(C(=O)N2CCOC[C@H]2Cc2ccc(C)c(c2)-n2nccn2)c(c1)-n1nccn1
C[C@@H]1COC[C@@H](Cc2cccc(c2)-n2nccn2)N1C(=O)c1ccccc1-n1nccn1
C[C@H]1COC[C@@H](Cc2cccc(c2)-n2nccn2)N1C(=O)c1ccc(C)cc1-n1nccn1
C[C@H]1COC[C@@H](Cc2cccc(c2)-n2nccn2)N1C(=O)c1cc(C)ccc1-n1nccn1
Cc1cc(C)c(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-n1nccn1)-n1nccn1
FC(F)(F)c1ccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2nccn2)c(c1)-n1nccn1
Clc1ccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2nccn2)c(c1)-n1nccn1
COc1cc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2nccn2)c(cc1F)-n1nccn1
Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-c2ncon2)c(c1)-n1nccn1
Cc1cccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-c2ncon2)c1-n1nccn1
Clc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1ncon1)-n1nccn1
Cc1cc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-c2ncon2)c(cc1C)-n1nccn1
FC(F)(F)c1ccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-c2ncon2)c(c1)-n1nccn1
Clc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1ncon1
Fc1cc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2nccn2)c(cc1F)-n1nccn1
Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2nccn2)c(c1C)-n1nccn1
COc1ccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2nccn2)c(c1)-n1nccn1
Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2F)-n2nccn2)c(c1C)-n1nccn1
COc1ccc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2F)-n2nccn2)c(c1)-n1nccn1
C[C@H]1CN([C@H](Cc2cccc(c2)-n2nccn2)CO1)C(=O)c1ccc(C)cc1-n1nccn1
C[C@@H]1CN([C@H](Cc2cccc(c2)-n2nccn2)CO1)C(=O)c1cccc(C)c1-n1nccn1
C[C@@H]1CN([C@H](Cc2cccc(c2)-n2nccn2)CO1)C(=O)c1cc(C)c(C)cc1-n1nccn1
C[C@@H]1CN([C@H](Cc2cccc(c2)-n2nccn2)CO1)C(=O)c1ccc(C)c(C)c1-n1nccn1
C[C@@H]1CN([C@H](Cc2cccc(c2)-n2nccn2)CO1)C(=O)c1ccccc1-n1nccn1
C[C@@H]1CN([C@H](Cc2cccc(c2)-n2nccn2)CO1)C(=O)c1ccc(C)cc1-n1nccn1
Cc1ccc(c(c1)C(=O)N1CCOC[C@@]1(C)Cc1cccc(c1)-n1nccn1)-n1nccn1
COc1cc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2nccn2)c(cc1Cl)-n1nccn1
Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cc(Cl)cc(c2)-n2nccn2)c(c1)-n1nccn1
Cc1cccc(C(=O)N2CCOC[C@H]2Cc2cc(Cl)cc(c2)-n2nccn2)c1-n1nccn1
Clc1cccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2nccn2)c1-n1nccn1
C[C@@H]1CN([C@H](Cc2cccc(c2)-c2ncccn2)CO1)C(=O)c1ccccc1-n1nccn1
C[C@@H]1CN([C@H](Cc2cccc(c2)-c2ncccn2)CO1)C(=O)c1cc(C)ccc1-n1nccn1
C[C@@H]1CN([C@H](Cc2cccc(c2)-c2ncccn2)CO1)C(=O)c1ccc(C)cc1-n1nccn1
C[C@@H]1CN([C@H](Cc2cccc(c2)-c2ncccn2)CO1)C(=O)c1cccc(C)c1-n1nccn1
C[C@@H]1CN([C@H](Cc2cccc(c2)-c2ncccn2)CO1)C(=O)c1ccc(C)c(C)c1-n1nccn1
C[C@@H]1CN([C@H](Cc2cccc(c2)-c2ncccn2)CO1)C(=O)c1cc(Cl)ccc1-n1nccn1
C[C@@H]1CN([C@H](Cc2cccc(c2)-c2ncccn2)CO1)C(=O)c1ccc(Cl)cc1-n1nccn1
C[C@@H]1CN([C@H](Cc2cc(ccc2F)-n2nccn2)CO1)C(=O)c1cc(C)ccc1-n1nccn1
C[C@@H]1CN([C@H](Cc2cc(ccc2F)-n2nccn2)CO1)C(=O)c1ccccc1-n1nccn1
C[C@@H]1CN([C@H](Cc2cc(ccc2F)-n2nccn2)CO1)C(=O)c1ccc(C)cc1-n1nccn1
C[C@@H]1CN([C@H](Cc2cc(ccc2F)-n2nccn2)CO1)C(=O)c1cccc(C)c1-n1nccn1
Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cc(ccc1C)-n1nccn1)-n1nccn1
Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2Cl)-n2nccn2)c(c1)-n1nccn1
Cc1ccc(cc1C[C@@H]1COCCN1C(=O)c1ccccc1-n1nccn1)-n1nccn1
Cc1cccc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2Cl)-n2nccn2)c1-n1nccn1
Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2C)-n2nccn2)c(c1)-n1nccn1
Cc1ccc(cc1C[C@@H]1COCCN1C(=O)c1cccc(C)c1-n1nccn1)-n1nccn1
Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cc(ccc1Cl)-n1nccn1)-n1nccn1
Clc1ccc(cc1C[C@@H]1COCCN1C(=O)c1ccccc1-n1nccn1)-n1nccn1
Cc1cccc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2F)-n2nccn2)c1-n1nccn1
Fc1ccc(cc1C[C@@H]1COCCN1C(=O)c1cc(Cl)ccc1-n1nccn1)-n1nccn1
Fc1ccc(cc1C[C@@H]1COCCN1C(=O)c1ccc(Cl)cc1-n1nccn1)-n1nccn1
COc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cc(ccc1F)-n1nccn1)-n1nccn1
Cc1ccc(c(C(=O)N2CCOC[C@H]2Cc2cc(ccc2F)-n2nccn2)c1F)-n1nccn1
COc1ccc(c(C(=O)N2CCOC[C@H]2Cc2cc(ccc2F)-n2nccn2)c1F)-n1nccn1
COc1cc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2F)-n2nccn2)c(cc1C)-n1nccn1
Fc1ccc(cc1C[C@@H]1COCCN1C(=O)c1cccc(Cl)c1-n1nccn1)-n1nccn1
Fc1ccc(cc1C[C@@H]1COCCN1C(=O)c1ccc(cc1-n1nccn1)C(F)(F)F)-n1nccn1
COc1cc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2F)-n2nccn2)c(cc1Cl)-n1nccn1
C[C@@H]1CN([C@H](Cc2cc(ccc2F)-n2ccnn2)CO1)C(=O)c1ccc(C)cc1-n1nccn1
CC[C@@H]1CN([C@H](Cc2cccc(c2)-n2nccn2)CO1)C(=O)c1cc(C)ccc1-n1nccn1
CC[C@@H]1CN([C@H](Cc2cccc(c2)-n2nccn2)CO1)C(=O)c1ccccc1-n1nccn1
CC[C@@H]1CN([C@H](Cc2cccc(c2)-n2nccn2)CO1)C(=O)c1ccc(C)cc1-n1nccn1
Fc1cc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc(c1)-n1nccn1
Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cc(F)cc(c2)-n2nccn2)c(c1)-n1nccn1
C[C@@H]1CN([C@H](Cc2cc(ccc2F)-c2ncccn2)CO1)C(=O)c1cc(C)ccc1-n1nccn1
C[C@@H]1CN([C@H](Cc2cc(ccc2F)-c2ncccn2)CO1)C(=O)c1ccc(C)cc1-n1nccn1
C[C@@H]1CN([C@H](Cc2cc(ccc2F)-c2ncccn2)CO1)C(=O)c1cccc(C)c1-n1nccn1
C[C@@H]1CN([C@H](Cc2cc(ccc2F)-c2ncccn2)CO1)C(=O)c1cc(Cl)ccc1-n1nccn1
C[C@@H]1CN([C@H](Cc2cc(ccc2F)-c2ncccn2)CO1)C(=O)c1ccc(Cl)cc1-n1nccn1
C[C@@H]1CN([C@H](Cc2cc(ccc2F)-c2ncccn2)CO1)C(=O)c1cccc(Cl)c1-n1nccn1
Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cc(ccc1F)-c1ncccn1)-n1nccn1
Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2F)-c2ncccn2)c(c1)-n1nccn1
Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2F)-c2ncccn2)c(c1C)-n1nccn1
Fc1ccc(cc1C[C@@H]1COCCN1C(=O)c1cc(Cl)ccc1-n1nccn1)-c1ncccn1
Fc1ccc(cc1C[C@@H]1COCCN1C(=O)c1ccc(Cl)cc1-n1nccn1)-c1ncccn1
Fc1ccc(cc1C[C@@H]1COCCN1C(=O)c1cccc(Cl)c1-n1nccn1)-c1ncccn1
C[C@@H]1OCCN([C@@H]1Cc1cccc(c1)-n1nccn1)C(=O)c1ccc(C)cc1-n1nccn1
C[C@@H]1CN([C@H](Cc2cc(ccc2F)-c2cccnn2)CO1)C(=O)c1ccc(C)cc1-n1nccn1
Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2F)-c2cccnn2)c(c1)-n1nccn1
C[C@H]1OCCN([C@@H]1Cc1cccc(c1)-n1nccn1)C(=O)c1ccc(C)cc1-n1nccn1
Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2Cl)-n2nccn2)c(c1C)-n1nccn1
Clc1ccc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2Cl)-n2nccn2)c(c1)-n1nccn1
Clc1ccc(cc1C[C@@H]1COCCN1C(=O)c1cccc(Cl)c1-n1nccn1)-n1nccn1
C[C@@H]1CN([C@H](Cc2cccc(c2)-n2nccn2)CO1)C(=O)c1cccc(Cl)c1-n1nccn1
C[C@@H]1CN([C@H](Cc2cc(ccc2F)-n2nccn2)CO1)C(=O)c1cccc(Cl)c1-n1nccn1
Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cc(ccc1F)-c1ncon1)-n1nccn1
Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2F)-c2ncon2)c(c1)-n1nccn1
Fc1ccc(cc1C[C@@H]1COCCN1C(=O)c1cc(Cl)ccc1-n1nccn1)-c1ncon1
Fc1ccc(cc1C[C@@H]1COCCN1C(=O)c1ccc(Cl)cc1-n1nccn1)-c1ncon1
Cc1cc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2F)-c2ncon2)c(cc1C)-n1nccn1
Fc1ccc(cc1C[C@@H]1COCCN1C(=O)c1cccc(Cl)c1-n1nccn1)-c1ncon1
Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2F)-c2ncon2)c(c1C)-n1nccn1
FC(F)(F)c1cccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2nccn2)c1-n1nccn1
Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2F)-n2nccn2)c(c1)-n1nccn1
C[C@@H]1CN([C@H](Cc2cccc(c2)-n2nccn2)CO1)C(=O)c1cc(Cl)ccc1-n1nccn1
C[C@@H]1CN([C@H](Cc2cccc(c2)-n2nccn2)CO1)C(=O)c1ccc(Cl)cc1-n1nccn1
C[C@@H]1CN([C@H](Cc2cc(ccc2F)-n2nccn2)CO1)C(=O)c1cc(Cl)ccc1-n1nccn1
C[C@@H]1CN([C@H](Cc2cc(ccc2F)-n2nccn2)CO1)C(=O)c1ccc(Cl)cc1-n1nccn1
Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cc(ccc1C)-n1cccn1)-n1nccn1
Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2C)-n2cccn2)c(c1)-n1nccn1
Cc1ccc(cc1C[C@@H]1COCCN1C(=O)c1cccc(C)c1-n1nccn1)-n1cccn1
Cc1ccc(cc1C[C@@H]1COCCN1C(=O)c1ccc(Cl)cc1-n1nccn1)-n1nccn1
Cc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1ncccn1
Cc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1nccs1
O=C(N1CCC[C@H]1Cc1cccc(c1)-n1nccn1)c1ccccc1-n1nccn1 |r|
Cc1ccc(c(c1)C(=O)N1CCC[C@H]1Cc1cccc(c1)-n1nccn1)-n1nccn1 |r|
O=C(N1CCCC[C@H]1Cc1cccc(c1)-n1nccn1)c1ccccc1-n1nccn1 |r|
Cc1ccc(c(c1)C(=O)N1CCCC[C@H]1Cc1cccc(c1)-n1nccn1)-n1nccn1 |r|
CCCCCCCCCCCC(=O)OCC(CCP(O)(=O)OCCNC(=O)c1ccc(Cn2c3nc(OCCOC)nc(N)c3[nH]c2=O)cc1)OC(=O)CCCCCCCCCCC
CCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCCNC(=O)c1ccc(Cn2c3nc(OCCOC)nc(N)c3[nH]c2=O)cc1)OC(=O)CCCCCCCCCCC
COc1ccc(CC([O-])=O)cc1Oc1ccc(NC(=O)C(C)(C)C)cc1CSC(C)(C)C
CCOC(=O)\C=C\c1ccc(nc1)C(F)(F)C(O)(Cn1cnnn1)c1ccc(F)cc1F
OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(\C=C\COCC(F)(F)F)cn1
OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(Cl)nc1
OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(F)nc1
C[C@]1(COCC(N)=N1)c1cc(Nc2cc(Cl)cc3cc(Cl)cnc23)ccc1F |r,c:6|
Cn1nc(Nc2ccc(F)c(c2)[C@@]2(C)COCC(N)=N2)c2ccc(Cl)cc12 |r,c:19|
CCCCCCCC(F)(F)CCCCCC\C=C\[C@H](C(O)N[C@@H](Cc1ccc(OCCCC)cc1)C(=O)OC)[C@@](O)(CCOC)C(O)=O |r|
CCCCCCCC(F)(F)CCCCCC\C=C\[C@H](C(O)N[C@@H](Cc1ccc(OCCCC)cc1)C(O)=O)[C@@](O)(CCOC)C(O)=O |r|
C[C@](O)(COc1ccc(Cl)c(F)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
c1cc(cnc1)N(c2ccc(cc2)C(F)(F)F)C3CCN(CC3)c4ccc(cn4)C(F)(F)F
c1cc(cnc1)[C@H](c2ccc(cc2)Cl)C(=O)N3CCN(CC3)c4ccc(cc4)C(F)(F)F
Cc1cc(Nc2nc(nc3ccccc23)C(O)c2ccc(F)cc2)n[nH]1
Cc1cc(Nc2nc(nc3ccccc23)[C@@H](O)c2ccc(F)cc2)n[nH]1
Cc1cc(Nc2nc(nc3ccccc23)[C@H](O)c2ccc(F)cc2)n[nH]1
OCc1ncc2CN=C(c3ccccc3F)c3cc(Cl)ccc3-n12 |t:7|
C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O |t:9|
CN(C)CCOc1c2-c3ccccc3S(=O)(=O)n2c2ccccc12
CN(C)CCOc1c2-c3ccccc3S(=O)(=O)n2c2cc(Cl)ccc12
COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccc(OC)cc1
Clc1ccc(s1)C(=O)N(C[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O)C=O |r|
Cc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r|
Cc1cnc(C(=O)c2ccnc3[nH]ncc23)c(NS(=O)(=O)c2ccc(Cl)c(c2)C(F)(F)F)c1
Cc1cnc(C(=O)c2ncnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(c2)C(F)(F)F)c1
COC1=C(C2C=CNC2N=C1)C(=O)c1ncc(C)cc1NS(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F |c:5,10,t:2|
Cn1cc(cn1)-c1nc2c(N3CCN(Cc4cccnc4)CC3)c(Br)cnc2[nH]1
Cc1nn(C)c(C)c1-c1nc2c(N3CCN(Cc4cccnc4)CC3)c(Br)cnc2[nH]1
Cc1nn(C)cc1-c1nc2c(N3CCN(Cc4ccc(Cl)cc4)CC3)c(Cl)cnc2[nH]1
Cc1nn(C)cc1-c1nc2c(N3CCN(Cc4ncon4)CC3)c(Cl)cnc2[nH]1
O=C(OCC12CCN(CC1)CC2)c1c[nH]c2ccccc12
Clc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1
COc1ccc2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
Fc1ccc2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
Fc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1
Fc1cccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12
Oc1ccc2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
Oc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1
COc1cccc2c(c[nH]c12)C(=O)OCC12CCN(CC1)CC2
COc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1
Cc1cccc2c(c[nH]c12)C(=O)OCC12CCN(CC1)CC2
Cc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1
Cc1cccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12
Brc1ccc2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
Brc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1
Brc1cccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12
Clc1cccc2c(c[nH]c12)C(=O)OCC12CCN(CC1)CC2
Clc1ccc2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
O=C(OCC12CCN(CC1)CC2)c1c[nH]c2cc(ccc12)C#N
FC(F)(F)Oc1ccc2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
O=C(OCC12CCN(CC1)CC2)c1c[nH]c2cc3OCCOc3cc12
FC(F)Oc1ccc2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
COc1cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2cc1F
COc1cc(F)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
COc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1C
Clc1cccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12
COc1cccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12
COc1cc(C)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
COc1cc(Cl)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
COc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1Cl
COc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1OC
Fc1cc(Br)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
Clc1cc(Br)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
Cc1c(F)ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12
Cc1cc(F)cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12
Cc1ccc2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
Oc1cc(Cl)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
COc1ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2c1Br
COc1cc(Br)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
Cc1cc(Br)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
Cc1cc(Cl)cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12
Fc1cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2cc1F
Fc1cc2c(c[nH]c2cc1Cl)C(=O)OCC12CCN(CC1)CC2
Oc1cc(Br)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
Cc1cc(C)c2c(c[nH]c2c1)C(=O)OCC12CCN(CC1)CC2
Cc1cc2c(c[nH]c2cc1O)C(=O)OCC12CCN(CC1)CC2
COc1cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2cc1C
COc1cc2c(c[nH]c2cc1F)C(=O)OCC12CCN(CC1)CC2
Oc1cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c2cc1F
Cc1cc(cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12)C#N
Cc1cc(O)cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12
CS(=O)(=O)C1(CCOCC1)c1nc(nc2N3CCOC[C@H]3COc12)-c1cccc2[nH]ccc12 |r|
CNc1nc2ccccc2n1-c1nc2N3CCOC[C@H]3COc2c(n1)C(C)(C)S(C)(=O)=O |r|
CNC(C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccncc2)c(n1)C#Cc1ccc2ncccc2c1 |(-6,-4.53,;-7.34,-3.76,;-7.34,-2.22,;-8.67,-1.45,;-6,-1.45,;-6,.09,;-4.67,-2.22,;-3.33,-1.45,;-3.33,.09,;-2,.86,;-.67,.09,;.67,.86,;.67,2.4,;2.13,2.88,;3.04,1.63,;4.57,1.47,;5.19,.06,;6.73,-.1,;4.29,-1.18,;2.76,-1.02,;2.13,.39,;-.42,3.49,;-.02,4.98,;-1.11,6.07,;-2.6,5.67,;-3,4.18,;-1.91,3.09,;-.67,-1.45,;-2,-2.22,;.67,-2.22,;2,-2.99,;3.33,-3.76,;3.33,-5.3,;4.67,-6.07,;6,-5.3,;7.34,-6.07,;8.67,-5.3,;8.67,-3.76,;7.34,-2.99,;6,-3.76,;4.67,-2.99,)|
CNC(C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccncc2)c(n1)C#Cc1ccc2nc(C)ccc2c1 |(-6.67,-4.53,;-8,-3.76,;-8,-2.22,;-9.34,-1.45,;-6.67,-1.45,;-6.67,.09,;-5.33,-2.22,;-4,-1.45,;-4,.09,;-2.67,.86,;-1.33,.09,;,.86,;,2.4,;1.46,2.88,;2.37,1.63,;3.9,1.47,;4.53,.06,;6.06,-.1,;3.62,-1.18,;2.09,-1.02,;1.46,.39,;-1.09,3.49,;-.69,4.98,;-1.78,6.07,;-3.27,5.67,;-3.67,4.18,;-2.58,3.09,;-1.33,-1.45,;-2.67,-2.22,;,-2.22,;1.33,-2.99,;2.67,-3.76,;2.67,-5.3,;4,-6.07,;5.33,-5.3,;6.67,-6.07,;8,-5.3,;9.34,-6.07,;8,-3.76,;6.67,-2.99,;5.33,-3.76,;4,-2.99,)|
CNC(C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccncc2)c(n1)C#Cc1ccc2n(C)c(=O)ccc2c1 |(-6.67,-3.76,;-8,-2.99,;-8,-1.45,;-9.34,-.68,;-6.67,-.68,;-6.67,.86,;-5.33,-1.45,;-4,-.68,;-4,.86,;-2.67,1.63,;-1.33,.86,;,1.63,;,3.17,;1.46,3.65,;2.37,2.4,;3.9,2.24,;4.53,.83,;6.06,.67,;3.62,-.41,;2.09,-.25,;1.46,1.16,;-1.09,4.26,;-.69,5.75,;-1.78,6.84,;-3.27,6.44,;-3.67,4.95,;-2.58,3.86,;-1.33,-.68,;-2.67,-1.45,;,-1.45,;1.33,-2.22,;2.67,-2.99,;2.67,-4.53,;4,-5.3,;5.33,-4.53,;6.67,-5.3,;6.67,-6.84,;8,-4.53,;9.34,-5.3,;8,-2.99,;6.67,-2.22,;5.33,-2.99,;4,-2.22,)|
CNC(C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccncc2)c(n1)C#Cc1ccc(cc1)-c1ccon1 |(-6.52,-3.52,;-7.85,-2.75,;-7.85,-1.21,;-9.19,-.44,;-6.52,-.44,;-6.52,1.1,;-5.19,-1.21,;-3.85,-.44,;-3.85,1.1,;-2.52,1.87,;-1.18,1.1,;.15,1.87,;.15,3.41,;1.61,3.89,;2.52,2.64,;4.05,2.48,;4.68,1.07,;6.21,.91,;3.77,-.17,;2.24,-.01,;1.61,1.39,;-.94,4.5,;-.54,5.99,;-1.63,7.08,;-3.12,6.68,;-3.52,5.19,;-2.43,4.1,;-1.18,-.44,;-2.52,-1.21,;.15,-1.21,;1.48,-1.98,;2.82,-2.75,;2.82,-4.29,;4.15,-5.06,;5.48,-4.29,;5.48,-2.75,;4.15,-1.98,;6.82,-5.06,;6.82,-6.6,;8.28,-7.08,;9.19,-5.83,;8.28,-4.58,)|
CNC(C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccncc2)c(n1)C#Cc1ccc2N(C)C(=O)COc2c1 |(-6.67,-3.76,;-8,-2.99,;-8,-1.45,;-9.34,-.68,;-6.67,-.68,;-6.67,.86,;-5.33,-1.45,;-4,-.68,;-4,.86,;-2.67,1.63,;-1.33,.86,;,1.63,;,3.17,;1.46,3.65,;2.37,2.4,;3.9,2.24,;4.53,.83,;6.06,.67,;3.62,-.41,;2.09,-.25,;1.46,1.16,;-1.09,4.26,;-.69,5.75,;-1.78,6.84,;-3.27,6.44,;-3.67,4.95,;-2.58,3.86,;-1.33,-.68,;-2.67,-1.45,;,-1.45,;1.33,-2.22,;2.67,-2.99,;2.67,-4.53,;4,-5.3,;5.33,-4.53,;6.67,-5.3,;6.67,-6.84,;8,-4.53,;9.34,-5.3,;8,-2.99,;6.67,-2.22,;5.33,-2.99,;4,-2.22,)|
CNC(C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccncc2)c(n1)C#Cc1ccccc1 |(-5.03,-4.53,;-6.36,-3.76,;-6.36,-2.22,;-7.7,-1.45,;-5.03,-1.45,;-5.03,.09,;-3.7,-2.22,;-2.36,-1.45,;-2.36,.09,;-1.03,.86,;.3,.09,;1.64,.86,;1.64,2.4,;3.1,2.88,;4.01,1.63,;5.54,1.47,;6.17,.06,;7.7,-.1,;5.26,-1.18,;3.73,-1.02,;3.1,.39,;.55,3.49,;.95,4.98,;-.14,6.07,;-1.63,5.67,;-2.03,4.18,;-.94,3.09,;.3,-1.45,;-1.03,-2.22,;1.64,-2.22,;2.97,-2.99,;4.31,-3.76,;4.31,-5.3,;5.64,-6.07,;6.97,-5.3,;6.97,-3.76,;5.64,-2.99,)|
CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cccnc2OC)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-3.76,;-7.34,-2.99,;-7.34,-1.45,;-8.67,-.68,;-6,-.68,;-6,.86,;-4.67,-1.45,;-3.33,-.68,;-3.33,.86,;-2,1.63,;-.67,.86,;.67,1.63,;.67,3.17,;2.13,3.65,;3.04,2.4,;4.57,2.24,;5.19,.83,;6.68,.44,;4.29,-.41,;2.76,-.25,;2.13,1.16,;-.42,4.26,;-1.91,3.86,;-3,4.95,;-2.6,6.44,;-1.11,6.84,;-.02,5.75,;1.46,6.15,;2.55,5.06,;-.67,-.68,;-2,-1.45,;.67,-1.45,;2,-2.22,;3.33,-2.99,;3.33,-4.53,;4.67,-5.3,;6,-4.53,;7.34,-5.3,;7.34,-6.84,;8.67,-4.53,;8.67,-2.99,;7.34,-2.22,;6,-2.99,;4.67,-2.22,)|
CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccnc(C)c2)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-3.76,;-7.34,-2.99,;-7.34,-1.45,;-8.67,-.68,;-6,-.68,;-6,.86,;-4.67,-1.45,;-3.33,-.68,;-3.33,.86,;-2,1.63,;-.67,.86,;.67,1.63,;.67,3.17,;2.13,3.65,;3.04,2.4,;4.57,2.24,;5.19,.83,;6.68,.44,;4.29,-.41,;2.76,-.25,;2.13,1.16,;-.42,4.26,;-.02,5.75,;-1.11,6.84,;-2.6,6.44,;-3,4.95,;-4.49,4.55,;-1.91,3.86,;-.67,-.68,;-2,-1.45,;.67,-1.45,;2,-2.22,;3.33,-2.99,;3.33,-4.53,;4.67,-5.3,;6,-4.53,;7.34,-5.3,;7.34,-6.84,;8.67,-4.53,;8.67,-2.99,;7.34,-2.22,;6,-2.99,;4.67,-2.22,)|
CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cnn(C)c2)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-3.32,;-7.34,-2.55,;-7.34,-1.01,;-8.67,-.24,;-6,-.24,;-6,1.3,;-4.67,-1.01,;-3.33,-.24,;-3.33,1.3,;-2,2.07,;-.67,1.3,;.67,2.07,;.67,3.61,;2.13,4.09,;3.04,2.84,;4.57,2.68,;5.19,1.27,;6.68,.88,;4.29,.03,;2.76,.19,;2.13,1.6,;-.67,4.38,;-.67,5.92,;-2.13,6.4,;-3.04,5.15,;-4.58,5.15,;-2.13,3.91,;-.67,-.24,;-2,-1.01,;.67,-1.01,;2,-1.78,;3.33,-2.55,;3.33,-4.09,;4.67,-4.86,;6,-4.09,;7.34,-4.86,;7.34,-6.4,;8.67,-4.09,;8.67,-2.55,;7.34,-1.78,;6,-2.55,;4.67,-1.78,)|
CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cncn2C)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-3.32,;-7.34,-2.55,;-7.34,-1.01,;-8.67,-.24,;-6,-.24,;-6,1.3,;-4.67,-1.01,;-3.33,-.24,;-3.33,1.3,;-2,2.07,;-.67,1.3,;.67,2.07,;.67,3.61,;2.13,4.09,;3.04,2.84,;4.57,2.68,;5.19,1.27,;6.68,.88,;4.29,.03,;2.76,.19,;2.13,1.6,;-.67,4.38,;-.67,5.92,;-2.13,6.4,;-3.04,5.15,;-2.13,3.91,;-2.9,2.57,;-.67,-.24,;-2,-1.01,;.67,-1.01,;2,-1.78,;3.33,-2.55,;3.33,-4.09,;4.67,-4.86,;6,-4.09,;7.34,-4.86,;7.34,-6.4,;8.67,-4.09,;8.67,-2.55,;7.34,-1.78,;6,-2.55,;4.67,-1.78,)|
CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cccnc2C)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-3.76,;-7.34,-2.99,;-7.34,-1.45,;-8.67,-.68,;-6,-.68,;-6,.86,;-4.67,-1.45,;-3.33,-.68,;-3.33,.86,;-2,1.63,;-.67,.86,;.67,1.63,;.67,3.17,;2.13,3.65,;3.04,2.4,;4.57,2.24,;5.19,.83,;6.68,.44,;4.29,-.41,;2.76,-.25,;2.13,1.16,;-.42,4.26,;-1.91,3.86,;-3,4.95,;-2.6,6.44,;-1.11,6.84,;-.02,5.75,;1.46,6.15,;-.67,-.68,;-2,-1.45,;.67,-1.45,;2,-2.22,;3.33,-2.99,;3.33,-4.53,;4.67,-5.3,;6,-4.53,;7.34,-5.3,;7.34,-6.84,;8.67,-4.53,;8.67,-2.99,;7.34,-2.22,;6,-2.99,;4.67,-2.22,)|
CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccc(C)nc2)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-4.1,;-7.34,-3.33,;-7.34,-1.79,;-8.67,-1.02,;-6,-1.02,;-6,.52,;-4.67,-1.79,;-3.33,-1.02,;-3.33,.52,;-2,1.29,;-.67,.52,;.67,1.29,;.67,2.83,;2.13,3.3,;3.04,2.06,;4.57,1.9,;5.19,.49,;6.68,.09,;4.29,-.76,;2.76,-.6,;2.13,.81,;-.42,3.92,;-1.91,3.52,;-3,4.61,;-2.6,6.09,;-3.69,7.18,;-1.11,6.49,;-.02,5.4,;-.67,-1.02,;-2,-1.79,;.67,-1.79,;2,-2.56,;3.33,-3.33,;3.33,-4.87,;4.67,-5.64,;6,-4.87,;7.34,-5.64,;7.34,-7.18,;8.67,-4.87,;8.67,-3.33,;7.34,-2.56,;6,-3.33,;4.67,-2.56,)|
CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cnc(C)nc2)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-4.1,;-7.34,-3.33,;-7.34,-1.79,;-8.67,-1.02,;-6,-1.02,;-6,.52,;-4.67,-1.79,;-3.33,-1.02,;-3.33,.52,;-2,1.29,;-.67,.52,;.67,1.29,;.67,2.83,;2.13,3.3,;3.04,2.06,;4.57,1.9,;5.19,.49,;6.68,.09,;4.29,-.76,;2.76,-.6,;2.13,.81,;-.42,3.92,;-.02,5.4,;-1.11,6.49,;-2.6,6.09,;-3.69,7.18,;-3,4.61,;-1.91,3.52,;-.67,-1.02,;-2,-1.79,;.67,-1.79,;2,-2.56,;3.33,-3.33,;3.33,-4.87,;4.67,-5.64,;6,-4.87,;7.34,-5.64,;7.34,-7.18,;8.67,-4.87,;8.67,-3.33,;7.34,-2.56,;6,-3.33,;4.67,-2.56,)|
CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccnc(OC)c2)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-3.76,;-7.34,-2.99,;-7.34,-1.45,;-8.67,-.68,;-6,-.68,;-6,.86,;-4.67,-1.45,;-3.33,-.68,;-3.33,.86,;-2,1.63,;-.67,.86,;.67,1.63,;.67,3.17,;2.13,3.65,;3.04,2.4,;4.57,2.24,;5.19,.83,;6.68,.44,;4.29,-.41,;2.76,-.25,;2.13,1.16,;-.42,4.26,;-.02,5.75,;-1.11,6.84,;-2.6,6.44,;-3,4.95,;-4.49,4.55,;-5.57,5.64,;-1.91,3.86,;-.67,-.68,;-2,-1.45,;.67,-1.45,;2,-2.22,;3.33,-2.99,;3.33,-4.53,;4.67,-5.3,;6,-4.53,;7.34,-5.3,;7.34,-6.84,;8.67,-4.53,;8.67,-2.99,;7.34,-2.22,;6,-2.99,;4.67,-2.22,)|
CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccc(OC)nc2)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-4.1,;-7.34,-3.33,;-7.34,-1.79,;-8.67,-1.02,;-6,-1.02,;-6,.52,;-4.67,-1.79,;-3.33,-1.02,;-3.33,.52,;-2,1.29,;-.67,.52,;.67,1.29,;.67,2.83,;2.13,3.3,;3.04,2.06,;4.57,1.9,;5.19,.49,;6.68,.09,;4.29,-.76,;2.76,-.6,;2.13,.81,;-.42,3.92,;-.02,5.4,;-1.11,6.49,;-2.6,6.09,;-3.69,7.18,;-5.18,6.78,;-3,4.61,;-1.91,3.52,;-.67,-1.02,;-2,-1.79,;.67,-1.79,;2,-2.56,;3.33,-3.33,;3.33,-4.87,;4.67,-5.64,;6,-4.87,;7.34,-5.64,;7.34,-7.18,;8.67,-4.87,;8.67,-3.33,;7.34,-2.56,;6,-3.33,;4.67,-2.56,)|
CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cccnc2OC)c(n1)C#Cc1ccc2n(C)c(=O)ccc2c1 |r,wU:2.2,(-6.67,-3.76,;-8,-2.99,;-8,-1.45,;-9.34,-.68,;-6.67,-.68,;-6.67,.86,;-5.33,-1.45,;-4,-.68,;-4,.86,;-2.67,1.63,;-1.33,.86,;,1.63,;,3.17,;1.46,3.65,;2.37,2.4,;3.9,2.24,;4.53,.83,;6.02,.44,;3.62,-.41,;2.09,-.25,;1.46,1.16,;-1.09,4.26,;-2.58,3.86,;-3.67,4.95,;-3.27,6.44,;-1.78,6.84,;-.69,5.75,;.8,6.15,;1.89,5.06,;-1.33,-.68,;-2.67,-1.45,;,-1.45,;1.33,-2.22,;2.67,-2.99,;2.67,-4.53,;4,-5.3,;5.33,-4.53,;6.67,-5.3,;6.67,-6.84,;8,-4.53,;9.34,-5.3,;8,-2.99,;6.67,-2.22,;5.33,-2.99,;4,-2.22,)|
CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccnc(C)c2)c(n1)C#Cc1ccccc1 |r,wU:2.2,(-5.01,-4.53,;-6.34,-3.76,;-6.34,-2.22,;-7.68,-1.45,;-5.01,-1.45,;-5.01,.09,;-3.67,-2.22,;-2.34,-1.45,;-2.34,.09,;-1.01,.86,;.33,.09,;1.66,.86,;1.66,2.4,;3.12,2.88,;4.03,1.63,;5.56,1.47,;6.19,.06,;7.68,-.33,;5.28,-1.18,;3.75,-1.02,;3.12,.39,;.57,3.49,;.97,4.98,;-.12,6.07,;-1.61,5.67,;-2.01,4.18,;-3.49,3.78,;-.92,3.09,;.33,-1.45,;-1.01,-2.22,;1.66,-2.22,;2.99,-2.99,;4.33,-3.76,;4.33,-5.3,;5.66,-6.07,;6.99,-5.3,;6.99,-3.76,;5.66,-2.99,)|
CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cnc(C)nc2)c(n1)C#Cc1ccc2n(C)c(=O)ccc2c1 |r,wU:2.2,(-6.67,-4.1,;-8,-3.33,;-8,-1.79,;-9.34,-1.02,;-6.67,-1.02,;-6.67,.52,;-5.33,-1.79,;-4,-1.02,;-4,.52,;-2.67,1.29,;-1.33,.52,;,1.29,;,2.83,;1.46,3.3,;2.37,2.06,;3.9,1.9,;4.53,.49,;6.02,.09,;3.62,-.76,;2.09,-.6,;1.46,.81,;-1.09,3.92,;-.69,5.4,;-1.78,6.49,;-3.27,6.09,;-4.36,7.18,;-3.67,4.61,;-2.58,3.52,;-1.33,-1.02,;-2.67,-1.79,;,-1.79,;1.33,-2.56,;2.67,-3.33,;2.67,-4.87,;4,-5.64,;5.33,-4.87,;6.67,-5.64,;6.67,-7.18,;8,-4.87,;9.34,-5.64,;8,-3.33,;6.67,-2.56,;5.33,-3.33,;4,-2.56,)|
CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccnc(OC)c2)c(n1)C#Cc1ccc2n(C)c(=O)ccc2c1 |r,wU:2.2,(-6.67,-3.76,;-8,-2.99,;-8,-1.45,;-9.34,-.68,;-6.67,-.68,;-6.67,.86,;-5.33,-1.45,;-4,-.68,;-4,.86,;-2.67,1.63,;-1.33,.86,;,1.63,;,3.17,;1.46,3.65,;2.37,2.4,;3.9,2.24,;4.53,.83,;6.02,.44,;3.62,-.41,;2.09,-.25,;1.46,1.16,;-1.09,4.26,;-.69,5.75,;-1.78,6.84,;-3.27,6.44,;-3.67,4.95,;-5.15,4.55,;-6.24,5.64,;-2.58,3.86,;-1.33,-.68,;-2.67,-1.45,;,-1.45,;1.33,-2.22,;2.67,-2.99,;2.67,-4.53,;4,-5.3,;5.33,-4.53,;6.67,-5.3,;6.67,-6.84,;8,-4.53,;9.34,-5.3,;8,-2.99,;6.67,-2.22,;5.33,-2.99,;4,-2.22,)|
CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccc(OC)nc2)c(n1)C#Cc1ccc2n(C)c(=O)ccc2c1 |r,wU:2.2,(-6.67,-4.1,;-8,-3.33,;-8,-1.79,;-9.34,-1.02,;-6.67,-1.02,;-6.67,.52,;-5.33,-1.79,;-4,-1.02,;-4,.52,;-2.67,1.29,;-1.33,.52,;,1.29,;,2.83,;1.46,3.3,;2.37,2.06,;3.9,1.9,;4.53,.49,;6.02,.09,;3.62,-.76,;2.09,-.6,;1.46,.81,;-1.09,3.92,;-.69,5.4,;-1.78,6.49,;-3.27,6.09,;-4.36,7.18,;-5.84,6.78,;-3.67,4.61,;-2.58,3.52,;-1.33,-1.02,;-2.67,-1.79,;,-1.79,;1.33,-2.56,;2.67,-3.33,;2.67,-4.87,;4,-5.64,;5.33,-4.87,;6.67,-5.64,;6.67,-7.18,;8,-4.87,;9.34,-5.64,;8,-3.33,;6.67,-2.56,;5.33,-3.33,;4,-2.56,)|
CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(Cl)ccn23)-c2cccnc2OC)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-4.16,;-7.34,-3.39,;-7.34,-1.85,;-8.67,-1.08,;-6,-1.08,;-6,.46,;-4.67,-1.85,;-3.33,-1.08,;-3.33,.46,;-2,1.23,;-.67,.46,;.67,1.23,;.67,2.77,;2.13,3.25,;3.04,2,;4.57,1.84,;5.19,.44,;6.68,.04,;4.29,-.81,;2.76,-.65,;2.13,.76,;-.42,3.86,;-1.91,3.46,;-3,4.55,;-2.6,6.04,;-1.11,6.44,;-.02,5.35,;1.46,5.75,;1.86,7.24,;-.67,-1.08,;-2,-1.85,;.67,-1.85,;2,-2.62,;3.33,-3.39,;3.33,-4.93,;4.67,-5.7,;6,-4.93,;7.34,-5.7,;7.34,-7.24,;8.67,-4.93,;8.67,-3.39,;7.34,-2.62,;6,-3.39,;4.67,-2.62,)|
CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3ccccn23)-c2cccnc2OC)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-4.23,;-7.34,-3.46,;-7.34,-1.92,;-8.67,-1.15,;-6,-1.15,;-6,.39,;-4.67,-1.92,;-3.33,-1.15,;-3.33,.39,;-2,1.16,;-.67,.39,;.67,1.16,;.51,2.69,;1.91,3.32,;2.94,2.17,;4.48,2.17,;5.25,.84,;4.48,-.49,;2.94,-.49,;2.17,.84,;-.83,3.46,;-2.16,2.69,;-3.5,3.46,;-3.5,5,;-2.16,5.77,;-.83,5,;.51,5.77,;.51,7.31,;-.67,-1.15,;-2,-1.92,;.67,-1.92,;2,-2.69,;3.33,-3.46,;3.33,-5,;4.67,-5.77,;6,-5,;7.34,-5.77,;7.34,-7.31,;8.67,-5,;8.67,-3.46,;7.34,-2.69,;6,-3.46,;4.67,-2.69,)|
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(C)c4[nH]ncc4c3)n2)c2ccccc12)C(C)(C)C#C
COCCOCCOCCNC(=O)c1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1
COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)n2)cc(c1)S(=O)(=O)C1CC1
COCCOCCOCCNC(=O)c1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)n2)cc(c1)C#C
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCOCC1
COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccccc4)c3)c3ccccc23)cc(cc1C(=O)NC1COC1)C(C)(C)C
COc1ccc(Oc2cc(NCC3COC3)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)cc1F
COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F
COc1ccc(Oc2cc(NCC3CCOCC3)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F
Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(Oc3cccc(F)c3)nn12
CCOCCCc1ccc(nc1)C(F)(F)C(O)(Cn1cnnn1)c1ccc(F)cc1F
CC(C)OC\C=C\c1ccc(nc1)C(F)(F)C(O)(Cn1cnnn1)c1ccc(F)cc1F
CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CCC(CC1)C(O)=O |(.67,1.92,;.67,.38,;2,-.39,;2,-1.93,;3.33,.38,;2.56,1.72,;4.1,1.72,;4.67,-.39,;4.67,-1.93,;6,-2.7,;7.34,-1.93,;7.34,-.39,;6,.38,;8.67,.38,;10,-.39,;8.67,1.92,;10,1.15,;6,-4.24,;7.34,-5.01,;4.67,-5.01,;6,-5.78,;-.67,-.39,;-.67,-1.93,;-2,-2.7,;-3.33,-1.93,;-3.33,-.39,;-2,.38,;-2,1.92,;-.67,2.69,;-.67,4.23,;-2,5,;-2,6.54,;-3.33,4.23,;-3.33,2.69,;-4.67,1.92,;-4.67,-2.7,;-6,-1.93,;-7.34,-2.7,;-7.34,-4.23,;-6,-5,;-4.67,-4.23,;-8.67,-5.01,;-10,-4.24,;-8.67,-6.54,)|
CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CCC(CCC(O)=O)CC1 |(2,1.93,;2,.38,;3.33,-.38,;3.33,-1.93,;4.67,.38,;3.9,1.72,;5.44,1.72,;6,-.38,;6,-1.93,;7.34,-2.69,;8.67,-1.93,;8.67,-.38,;7.34,.38,;10,.38,;11.34,-.38,;10,1.93,;11.34,1.15,;7.34,-4.23,;8.67,-5,;6,-5,;7.34,-5.78,;.67,-.38,;.67,-1.93,;-.67,-2.69,;-2,-1.93,;-2,-.38,;-.67,.38,;-.67,1.93,;.67,2.69,;.67,4.23,;-.67,5,;-.67,6.54,;-2,4.23,;-2,2.69,;-3.33,1.93,;-3.33,-2.69,;-4.67,-1.93,;-6,-2.69,;-6,-4.23,;-7.34,-5,;-8.67,-4.23,;-10,-5,;-11.34,-4.23,;-10,-6.54,;-4.67,-5,;-3.33,-4.23,)|
CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CCCC(CC(O)=O)C1
CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1(C)CCCC(CC(O)=O)C1
CN(C(=O)C(C)(CO)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CCC(CC(O)=O)CC1 |(1.33,1.54,;1.33,,;2.67,-.77,;2.67,-2.31,;4,,;3.23,1.33,;4.77,1.33,;6.31,1.33,;5.33,-.77,;5.33,-2.31,;6.67,-3.08,;8,-2.31,;8,-.77,;6.67,,;9.34,,;10.67,-.77,;9.34,1.54,;10.67,.77,;6.67,-4.62,;8,-5.39,;5.33,-5.39,;6.67,-6.16,;,-.77,;,-2.31,;-1.33,-3.08,;-2.67,-2.31,;-2.67,-.77,;-1.33,,;-1.33,1.54,;,2.31,;,3.85,;-1.33,4.62,;-1.33,6.16,;-2.67,3.85,;-2.67,2.31,;-4,1.54,;-4,-3.08,;-5.33,-2.31,;-6.67,-3.08,;-6.67,-4.62,;-8,-5.39,;-9.34,-4.62,;-10.67,-5.39,;-9.34,-3.08,;-5.33,-5.39,;-4,-4.62,)|
CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CCC(O)(CC(O)=O)CC1 |(1.33,1.54,;1.33,,;2.67,-.77,;2.67,-2.31,;4,,;3.23,1.33,;4.77,1.33,;5.33,-.77,;5.33,-2.31,;6.67,-3.08,;8,-2.31,;8,-.77,;6.67,,;9.34,,;10.67,-.77,;9.34,1.54,;10.67,.77,;6.67,-4.62,;8,-5.39,;5.33,-5.39,;6.67,-6.16,;,-.77,;,-2.31,;-1.33,-3.08,;-2.67,-2.31,;-2.67,-.77,;-1.33,,;-1.33,1.54,;,2.31,;,3.85,;-1.33,4.62,;-1.33,6.16,;-2.67,3.85,;-2.67,2.31,;-4,1.54,;-4,-3.08,;-5.33,-2.31,;-6.67,-3.08,;-6.67,-4.62,;-6.67,-6.16,;-8,-5.39,;-9.34,-4.62,;-10.67,-5.39,;-9.34,-3.08,;-5.33,-5.39,;-4,-4.62,)|
CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)C1CCC2(CC2C(O)=O)CC1 |(1.33,1.54,;1.33,,;2.67,-.77,;2.67,-2.31,;4,,;3.23,1.33,;4.77,1.33,;5.33,-.77,;5.33,-2.31,;6.67,-3.08,;8,-2.31,;8,-.77,;6.67,,;9.34,,;10.67,-.77,;9.34,1.54,;10.67,.77,;6.67,-4.62,;8,-5.39,;5.33,-5.39,;6.67,-6.16,;,-.77,;,-2.31,;-1.33,-3.08,;-2.67,-2.31,;-2.67,-.77,;-1.33,,;-1.33,1.54,;,2.31,;,3.85,;-1.33,4.62,;-1.33,6.16,;-2.67,3.85,;-2.67,2.31,;-4,1.54,;-4,-3.08,;-5.33,-2.31,;-6.67,-3.08,;-6.67,-4.62,;-6.67,-6.16,;-8,-5.39,;-9.34,-4.62,;-10.67,-5.39,;-9.34,-3.08,;-5.33,-5.39,;-4,-4.62,)|
CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(nc(cc1-c1ccc(F)cc1C)C1CCC(CC(O)=O)CC1)C#N |(1.33,1.54,;1.33,,;2.67,-.77,;2.67,-2.31,;4,,;3.23,1.33,;4.77,1.33,;5.33,-.77,;5.33,-2.31,;6.67,-3.08,;8,-2.31,;8,-.77,;6.67,,;9.34,,;10.67,-.77,;9.34,1.54,;10.67,.77,;6.67,-4.62,;8,-5.39,;5.33,-5.39,;6.67,-6.16,;,-.77,;.05,-2.34,;-1.33,-3.08,;-2.67,-2.31,;-2.67,-.77,;-1.33,,;-1.33,1.54,;,2.31,;,3.85,;-1.33,4.62,;-1.33,6.16,;-2.67,3.85,;-2.67,2.31,;-4,1.54,;-4,-3.08,;-5.33,-2.31,;-6.67,-3.08,;-6.67,-4.62,;-8,-5.39,;-9.34,-4.62,;-10.67,-5.39,;-9.34,-3.08,;-5.33,-5.39,;-4,-4.62,;1.38,-3.11,;2.72,-3.88,)|
CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1C)C1CCC(CC(O)=O)CC1 |(1.33,2.31,;1.33,.77,;2.67,,;2.67,-1.54,;4,.77,;3.23,2.1,;4.77,2.1,;5.33,,;5.33,-1.54,;6.67,-2.31,;8,-1.54,;8,,;6.67,.77,;9.34,.77,;10.67,,;9.34,2.31,;10.67,1.54,;6.67,-3.85,;8,-4.62,;5.33,-4.62,;6.67,-5.39,;;,-1.54,;-1.33,-2.31,;-2.67,-1.54,;-2.67,,;-1.33,.77,;-1.33,2.31,;,3.08,;,4.62,;-1.33,5.39,;-2.67,4.62,;-2.67,3.08,;-4,2.31,;-4,-2.31,;-5.33,-1.54,;-6.67,-2.31,;-6.67,-3.85,;-8,-4.62,;-9.34,-3.85,;-10.67,-4.62,;-9.34,-2.31,;-5.33,-4.62,;-4,-3.85,)|
CC(C1CCC(CC1)c1cc(c(cn1)N(C)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccc(F)cc1C)C(O)=O |(-8,-6.54,;-8,-5,;-6.67,-4.24,;-6.67,-2.7,;-5.33,-1.93,;-4,-2.7,;-4,-4.24,;-5.33,-5.01,;-2.67,-1.93,;-2.67,-.39,;-1.33,.38,;,-.39,;,-1.93,;-1.33,-2.7,;1.33,.38,;1.33,1.92,;2.67,-.39,;2.67,-1.93,;4,.38,;3.23,1.72,;4.77,1.72,;5.33,-.39,;5.33,-1.93,;6.67,-2.7,;8,-1.93,;8,-.39,;6.67,.38,;9.34,.38,;10.67,-.39,;9.34,1.92,;10.67,1.15,;6.67,-4.24,;8,-5.01,;5.33,-5.01,;6.67,-5.78,;-1.33,1.92,;,2.69,;,4.23,;-1.33,5,;-1.33,6.54,;-2.67,4.23,;-2.67,2.69,;-4,1.92,;-9.34,-4.23,;-10.67,-5,;-9.34,-2.69,)|
CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)[C@H]1CC[C@@H](CC1)C(C)(C)C(O)=O |r,wU:35.37,wD:38.44,(1.33,1.82,;1.33,.28,;2.67,-.49,;2.67,-2.03,;4,.28,;3.23,1.62,;4.77,1.62,;5.33,-.49,;5.33,-2.03,;6.67,-2.8,;8,-2.03,;8,-.49,;6.67,.28,;9.34,.28,;10.67,-.49,;9.34,1.82,;10.67,1.05,;6.67,-4.34,;8,-5.11,;5.33,-5.11,;6.67,-5.88,;,-.49,;,-2.03,;-1.33,-2.8,;-2.67,-2.03,;-2.67,-.49,;-1.33,.28,;-1.33,1.82,;,2.59,;,4.13,;-1.33,4.9,;-1.33,6.44,;-2.67,4.13,;-2.67,2.59,;-4,1.82,;-4,-2.8,;-4,-4.34,;-5.33,-5.11,;-6.67,-4.34,;-6.67,-2.8,;-5.33,-2.03,;-8,-5.11,;-8.77,-6.44,;-7.23,-6.44,;-9.34,-4.34,;-10.67,-5.11,;-9.34,-2.8,)|
CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)[C@H]1CC[C@H](CC1)C(C)(C)C(O)=O |r,wU:35.37,38.44,(1.33,1.82,;1.33,.28,;2.67,-.49,;2.67,-2.03,;4,.28,;3.23,1.62,;4.77,1.62,;5.33,-.49,;5.33,-2.03,;6.67,-2.8,;8,-2.03,;8,-.49,;6.67,.28,;9.34,.28,;10.67,-.49,;9.34,1.82,;10.67,1.05,;6.67,-4.34,;8,-5.11,;5.33,-5.11,;6.67,-5.88,;,-.49,;,-2.03,;-1.33,-2.8,;-2.67,-2.03,;-2.67,-.49,;-1.33,.28,;-1.33,1.82,;,2.59,;,4.13,;-1.33,4.9,;-1.33,6.44,;-2.67,4.13,;-2.67,2.59,;-4,1.82,;-4,-2.8,;-4,-4.34,;-5.33,-5.11,;-6.67,-4.34,;-6.67,-2.8,;-5.33,-2.03,;-8,-5.11,;-8.77,-6.44,;-7.23,-6.44,;-9.34,-4.34,;-10.67,-5.11,;-9.34,-2.8,)|
CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:35.37,wD:38.41,(1.33,1.54,;1.33,,;2.67,-.77,;2.67,-2.31,;4,,;3.23,1.33,;4.77,1.33,;5.33,-.77,;5.33,-2.31,;6.67,-3.08,;8,-2.31,;8,-.77,;6.67,,;9.34,,;10.67,-.77,;9.34,1.54,;10.67,.77,;6.67,-4.62,;8,-5.39,;5.33,-5.39,;6.67,-6.16,;,-.77,;,-2.31,;-1.33,-3.08,;-2.67,-2.31,;-2.67,-.77,;-1.33,,;-1.33,1.54,;,2.31,;,3.85,;-1.33,4.62,;-1.33,6.16,;-2.67,3.85,;-2.67,2.31,;-4,1.54,;-4,-3.08,;-4,-4.62,;-5.33,-5.39,;-6.67,-4.62,;-8,-5.39,;-9.34,-4.62,;-10.67,-5.39,;-9.34,-3.08,;-6.67,-3.08,;-5.33,-2.31,)|
CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)[C@@H]1CC[C@H](CC(O)=O)CC1 |r,wU:35.37,38.41,(1.33,1.54,;1.33,,;2.67,-.77,;2.67,-2.31,;4,,;3.23,1.33,;4.77,1.33,;5.33,-.77,;5.33,-2.31,;6.67,-3.08,;8,-2.31,;8,-.77,;6.67,,;9.34,,;10.67,-.77,;9.34,1.54,;10.67,.77,;6.67,-4.62,;8,-5.39,;5.33,-5.39,;6.67,-6.16,;,-.77,;,-2.31,;-1.33,-3.08,;-2.67,-2.31,;-2.67,-.77,;-1.33,,;-1.33,1.54,;,2.31,;,3.85,;-1.33,4.62,;-1.33,6.16,;-2.67,3.85,;-2.67,2.31,;-4,1.54,;-4,-3.08,;-5.33,-2.31,;-6.67,-3.08,;-6.67,-4.62,;-8,-5.39,;-9.34,-4.62,;-10.67,-5.39,;-9.34,-3.08,;-5.33,-5.39,;-4,-4.62,)|
C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(nc(cc1-c1ccccc1C)C1CCC(CC(O)=O)CC1)C#N |(1.33,2.31,;1.33,.77,;2.67,,;2.67,-1.54,;4,.77,;3.23,2.1,;4.77,2.1,;5.33,,;5.33,-1.54,;6.67,-2.31,;8,-1.54,;8,,;6.67,.77,;9.34,.77,;10.67,,;9.34,2.31,;10.67,1.54,;6.67,-3.85,;8,-4.62,;5.33,-4.62,;6.67,-5.39,;;.05,-1.57,;-1.33,-2.31,;-2.67,-1.54,;-2.67,,;-1.33,.77,;-1.33,2.31,;,3.08,;,4.62,;-1.33,5.39,;-2.67,4.62,;-2.67,3.08,;-4,2.31,;-4,-2.31,;-5.33,-1.54,;-6.67,-2.31,;-6.67,-3.85,;-8,-4.62,;-9.34,-3.85,;-10.67,-4.62,;-9.34,-2.31,;-5.33,-4.62,;-4,-3.85,;1.38,-2.34,;2.72,-3.11,)|
CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(Cl)nc(cc1-c1ccc(F)cc1C)C1CCC(CC(O)=O)CC1 |(1.33,1.54,;1.33,,;2.67,-.77,;2.67,-2.31,;4,,;3.23,1.33,;4.77,1.33,;5.33,-.77,;5.33,-2.31,;6.67,-3.08,;8,-2.31,;8,-.77,;6.67,,;9.34,,;10.67,-.77,;9.34,1.54,;10.67,.77,;6.67,-4.62,;8,-5.39,;5.33,-5.39,;6.67,-6.16,;,-.77,;,-2.31,;1.33,-3.08,;-1.33,-3.08,;-2.67,-2.31,;-2.67,-.77,;-1.33,,;-1.33,1.54,;,2.31,;,3.85,;-1.33,4.62,;-1.33,6.16,;-2.67,3.85,;-2.67,2.31,;-4,1.54,;-4,-3.08,;-5.33,-2.31,;-6.67,-3.08,;-6.67,-4.62,;-8,-5.39,;-9.34,-4.62,;-10.67,-5.39,;-9.34,-3.08,;-5.33,-5.39,;-4,-4.62,)|
CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(C)nc(cc1-c1ccc(F)cc1C)C1CCC(CC(O)=O)CC1 |(1.33,1.54,;1.33,,;2.67,-.77,;2.67,-2.31,;4,,;3.23,1.33,;4.77,1.33,;5.33,-.77,;5.33,-2.31,;6.67,-3.08,;8,-2.31,;8,-.77,;6.67,,;9.34,,;10.67,-.77,;9.34,1.54,;10.67,.77,;6.67,-4.62,;8,-5.39,;5.33,-5.39,;6.67,-6.16,;,-.77,;,-2.31,;1.33,-3.08,;-1.33,-3.08,;-2.67,-2.31,;-2.67,-.77,;-1.33,,;-1.33,1.54,;,2.31,;,3.85,;-1.33,4.62,;-1.33,6.16,;-2.67,3.85,;-2.67,2.31,;-4,1.54,;-4,-3.08,;-5.33,-2.31,;-6.67,-3.08,;-6.67,-4.62,;-8,-5.39,;-9.34,-4.62,;-10.67,-5.39,;-9.34,-3.08,;-5.33,-5.39,;-4,-4.62,)|
CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(nc(cc1-c1ccc(F)cc1C)[C@H]1CC[C@H](CC(O)=O)CC1)C#N |r,wU:35.37,wD:38.41,(1.33,1.54,;1.33,,;2.67,-.77,;2.67,-2.31,;4,,;3.23,1.33,;4.77,1.33,;5.33,-.77,;5.33,-2.31,;6.67,-3.08,;8,-2.31,;8,-.77,;6.67,,;9.34,,;10.67,-.77,;9.34,1.54,;10.67,.77,;6.67,-4.62,;8,-5.39,;5.33,-5.39,;6.67,-6.16,;,-.77,;.05,-2.34,;-1.33,-3.08,;-2.67,-2.31,;-2.67,-.77,;-1.33,,;-1.33,1.54,;,2.31,;,3.85,;-1.33,4.62,;-1.33,6.16,;-2.67,3.85,;-2.67,2.31,;-4,1.54,;-4,-3.08,;-4,-4.62,;-5.33,-5.39,;-6.67,-4.62,;-8,-5.39,;-9.34,-4.62,;-10.67,-5.39,;-9.34,-3.08,;-6.67,-3.08,;-5.33,-2.31,;1.38,-3.11,;2.72,-3.88,)|
CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(nc(cc1-c1ccc(F)cc1C)[C@@H]1CC[C@H](CC(O)=O)CC1)C#N |r,wU:35.37,38.41,(1.33,1.54,;1.33,,;2.67,-.77,;2.67,-2.31,;4,,;3.23,1.33,;4.77,1.33,;5.33,-.77,;5.33,-2.31,;6.67,-3.08,;8,-2.31,;8,-.77,;6.67,,;9.34,,;10.67,-.77,;9.34,1.54,;10.67,.77,;6.67,-4.62,;8,-5.39,;5.33,-5.39,;6.67,-6.16,;,-.77,;.05,-2.34,;-1.33,-3.08,;-2.67,-2.31,;-2.67,-.77,;-1.33,,;-1.33,1.54,;,2.31,;,3.85,;-1.33,4.62,;-1.33,6.16,;-2.67,3.85,;-2.67,2.31,;-4,1.54,;-4,-3.08,;-5.33,-2.31,;-6.67,-3.08,;-6.67,-4.62,;-8,-5.39,;-9.34,-4.62,;-10.67,-5.39,;-9.34,-3.08,;-5.33,-5.39,;-4,-4.62,;1.38,-3.11,;2.72,-3.88,)|
Cc2c(C(=O)Nc1ccc(F)c(C#N)c1)c(C)n(C)c2C(=O)C(=O)NC(C)C(F)(F)F
CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)N1CCC(CC(O)=O)CC1
CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1C)N1CCC(CC(O)=O)CC1
CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)N1CCC(CC(O)=O)C(C)(C)C1
CC1CN(CCC1CC(O)=O)c1cc(c(cn1)N(C)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccc(F)cc1C
COC1CN(CCC1CC(O)=O)c1cc(c(cn1)N(C)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccc(F)cc1C
CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(nc(cc1-c1ccc(F)cc1C)N1CCC(CC(O)=O)CC1)C#N
CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)N1CCC(CC1)C(C)(C)C(O)=O
CC(C1CCN(CC1)c1cc(-c2ccc(F)cc2C)c(N(C)C(=O)C(C)(C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(n1)C#N)C(O)=O
CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)N1CCC(C)(CC(O)=O)CC1
CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(nc(cc1-c1ccc(F)cc1C)N1CCC(C)(CC(O)=O)CC1)C#N
C[C@H](C1CCN(CC1)c1cc(-c2ccc(F)cc2C)c(N(C)C(=O)C(C)(C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(n1)C#N)C(O)=O |r|
C[C@@H](C1CCN(CC1)c1cc(-c2ccc(F)cc2C)c(N(C)C(=O)C(C)(C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(n1)C#N)C(O)=O |r|
Cc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(COC)c23)c1F
CC(C)CS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(C)c23)c1F
COc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)CC(C)C)c3F)c12
CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(OC)c23)c1F
CCOc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(C)c23)c1F
CCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(OC)c23)c1F
CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(C)c23)c1F
COc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(C)C)c3F)c12
Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(NC3CC3)c12
Oc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(NC3CCOCC3)c12
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(CC(C)C)c23)c1F
CC(C)Cc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(Cl)c12
CC(C)CNc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
CCNc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
COc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4cc(C)cc(C)c4)c3F)c12
CNc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
Cc1cc(C)cc(c1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(C)c23)c1F
CC(C)COc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
CC(C)c1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(O)c23)c1F
Nc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
CCCNc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Cl)c23)c1F
CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Cl)c23)c1F
Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(NC3CCCC3)c12
Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(Nc3ccccc3)c12
CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(OCC)c23)c1F
CC(C)Nc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC4CC4)c23)c1F
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC4CC4)c23)c1F
CCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC(C)C)c23)c1F
OCCNc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
CC(C)Nc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(C)C)c3F)c12
CC(C)Nc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4cc(C)cc(C)c4)c3F)c12
CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC4CCOCC4)c23)c1F
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC4CCOCC4)c23)c1F
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Nc4ccccc4)c23)c1F
CN(C)c1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(NC3COC3)c12
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC(C)C)c23)c1F
Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(NCC3CC3)c12
Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(OCC3CC3)c12
Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(NC3CCOC3)c12
CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC(C)C)c23)c1F
CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC4COC4)c23)c1F
CN1CCC(CC1)Nc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
COCCNc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
CN(C)CCNc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)c3F)c12
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC4COC4)c23)c1F
Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C(=O)c1c[nH]c2ncnc(N3CCCC3)c12
Cn1cc(Nc2ncnc3[nH]cc(C(=O)c4c(F)ccc(NS(=O)(=O)c5ccc(cc5)C(F)(F)F)c4F)c23)cn1
CCn1cc(Nc2ncnc3[nH]cc(C(=O)c4c(F)ccc(NS(=O)(=O)c5ccc(cc5)C(F)(F)F)c4F)c23)cn1
CC(C)Nc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccccc4F)c3F)c12
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NCc4ccccc4)c23)c1F
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Nc4ccccn4)c23)c1F
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Nc4cccnc4)c23)c1F
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NCC4CC4)c23)c1F
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC4CCCC4)c23)c1F
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Nc4ccc(OC)nc4)c23)c1F
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Nc4cn(C)nc4C)c23)c1F
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Nc4ccc(OC)cc4F)c23)c1F
Fc1ccccc1S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC4CC4)c23)c1F
Fc1ccc(F)c(c1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NC4CC4)c23)c1F
Fc1ccc(F)c(c1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(C4CC4)c23)c1F
CC(C)Nc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)c12
Fc1ccc(F)c(c1)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NCC4CC4)c23)c1F
COc1cccc(Nc2ncnc3[nH]cc(C(=O)c4c(F)ccc(NS(=O)(=O)c5cc(F)ccc5F)c4F)c23)c1
CCn1cc(Nc2ncnc3[nH]cc(C(=O)c4c(F)ccc(NS(=O)(=O)c5cc(F)ccc5F)c4F)c23)cn1
COc1cccc(Nc2ncnc3[nH]cc(C(=O)c4c(F)ccc(NS(=O)(=O)c5ccccc5F)c4F)c23)c1
COCCNc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccccc4F)c3F)c12
CCn1cc(Nc2ncnc3[nH]cc(C(=O)c4c(F)ccc(NS(=O)(=O)c5ccccc5F)c4F)c23)cn1
Cc1nn(C)cc1Nc1ncnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccccc4F)c3F)c12
CCCS(=O)(=O)Nc1ccc(F)c(C=O)c1F
Fc1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c(F)c1C=O
C[C@@H](NC(=O)c1cc(OC[C@@]2(C)CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F
C[C@@H](NC(=O)c1cc(O[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(O[C@@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1ccc(nn1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(O[C@H]2CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC2COC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@@H](C)c1cnc(nc1)C(F)(F)F |r|
CC(O)C(C)Oc1cc(cc(c1)-c1ncc(Cl)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OCC2(C)CCOC2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
CC(O)C(C)Oc1cc(cc(c1)-c1ncc(C)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc(OC[C@H]2CN(C)CCO2)cc(c1)-c1ncc(C)s1)c1cnc(nc1)C(F)(F)F |r|
CNC[C@@H]([C@H](OCC(N)=O)c1ccccc1)c1ccc2ccccc2c1 |r|
CN1CO[C@@H]([C@H](C1)c1ccc2ccccc2c1)c1ccccc1 |r|
CNC[C@@H](Cc1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@@H](O)c1ccncc1Cl)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](F)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@@H](F)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1ccncc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCC(=O)NC1CC1)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCC(=O)NCCO)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1ccccc1F)c1ccc2ccccc2c1 |r|
CNCC([C@H](O)c1ccccc1)c1ccc(Br)c(Cl)c1 |r|
CNCC(Cc1ccccc1F)c1ccc2ccccc2c1
CNC[C@@H]([C@H](OCC(=O)N1CC[C@H](O)C1)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@@H](O)c1ccccc1)c1ccc(Br)c(Cl)c1 |r|
CNC[C@@H]([C@H](OCc1noc(C)n1)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCC(=O)N1CCOCC1)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1cccc(N)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1ccc(Cl)nc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1ccccc1C)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCCO)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OCC(=O)N1CC[C@@H](O)C1)c1ccccc1)c1ccc2ccccc2c1 |r|
CNCC(C(OC)c1ccccc1)c1ccc2ccccc2c1
CNCC(Cc1ccccc1C)c1ccc2ccccc2c1
CNCC(Cc1cccs1)c1ccc2ccccc2c1
CNC[C@@H]([C@H](O)c1cc(F)cc(F)c1)c1ccc2ccccc2c1 |r|
C[C@](CN)(Cc1cccnc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1ccccc1)c1ccc(Br)c(Cl)c1 |r|
CNC[C@@H](Cc1ccc(C)s1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OC)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1cccs1)c1ccc2ccccc2c1 |r|
CNCC(Cc1cccnc1)c1ccc2ccccc2c1
CNC[C@H]([C@@H](O)c1cccnc1)c1ccc2ccccc2c1 |r|
CNCC(Cc1ccccc1O)c1ccc2ccccc2c1
CNCC([C@H](O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1cccnc1)c1ccc(OC)c(C)c1 |r|
CNCC(Cc1ccccc1OC)c1ccc2ccccc2c1
CNC[C@@H]([C@H](O)c1ccc(Cl)s1)c1ccc2ccccc2c1 |r|
CNC[C@@H](Cc1cccnc1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@@H](O)c1ccccc1F)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@@H](Cl)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1cccnc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@@H](O)c1cccc(N)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@@H](O)c1ccccc1[N+]([O-])=O)c1ccc(Cl)c(Cl)c1 |r|
CNCC(CCc1ccccc1)[C@H](O)c1ccccc1 |r|
CNC[C@@H]([C@H](OCc1nc(C)no1)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@@H](O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@H](O)c1ccccn1)c1ccc2ccccc2c1 |r|
CNCC([C@H](O)c1ccccc1)c1ccc(F)c(Cl)c1 |r|
CNCC(Cc1ccccc1)c1ccc2cccnc2c1
CNC[C@@H]([C@H](O)c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](O)c1ccccc1F)c1ccc2ccccc2c1 |r|
CNCC(Cc1cccnc1)c1ccc(Cl)c(Cl)c1
CN(C)C[C@@H]([C@H](N)c1ccccc1)c1ccc2ccccc2c1 |r|
CNCC(C[C@H](O)c1ccccc1)c1ccc2ccccc2c1 |r|
CN(C)CC(C)(C(O)c1ccccc1)c1ccc2ccccc2c1
CNC[C@@H]([C@H](N)c1ccccc1)c1ccc2ccccc2c1 |r|
NC[C@H]([C@@H](O)c1ccccc1)c1ccc2ccccc2c1
CN(C)C[C@@H]([C@H](OCCO)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1cncc(OC)c1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@@H](O)c1cccc(NC(C)=O)c1)c1ccc(Cl)c(Cl)c1 |r|
NC[C@@H]([C@@H](O)c1ccncc1Cl)c1ccc2ccccc2c1 |r|
CNC[C@H]([C@H](O)c1ccccc1F)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@@H](O)c1ccccc1SC)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@H](O)c1cccc(NC(C)=O)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@@H](O)c1ccccc1-c1cccs1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1cccc(c1)S(C)(=O)=O)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1cccc(c1)[N+]([O-])=O)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@@H](O)c1cccnc1OC)c1ccc(Cl)c(Cl)c1 |r|
CN(C)C[C@@H]([C@H](O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](O)c1ccsc1)c1ccc(Cl)c(Cl)c1 |r|
NCC(C(O)c1ccc(F)cc1F)c1ccc2ccccc2c1
CNC[C@H]([C@@H](O)c1cccc(c1)N(C)C)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](O)c1cncc(OC)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](O)c1ccccc1)c1ccc(Br)c(Cl)c1 |r|
NCC[C@@H](Cc1cccnc1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1ccccc1)c1ccc(cc1)-c1ccccc1 |r|
CNC[C@H](Cc1cccnc1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](O)c1cccc(c1)S(C)=O)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](OCC(N)=O)c1ccccc1)c1ccc2ccccc2c1 |r|
NC[C@H](C(O)c1ccncc1Cl)c1ccc2ccccc2c1 |r|
CNC[C@H]([C@@H](O)c1cccc(N)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](O)c1cccc(SC)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](O)c1cccc(NS(=O)(=O)C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](O)c1cncc(OC)c1)c1ccc2ccccc2c1 |r|
CNC[C@H]([C@@H](O)c1cccc(c1)N1CCOCC1)c1ccc(Cl)c(Cl)c1 |r|
NC[C@H]([C@@H](O)c1ccc(Cl)nc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@@H](O)c1cccc(NS(=O)(=O)C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](O)c1ccccc1S(C)=O)c1ccc(Cl)c(Cl)c1 |r|
CN1C[C@@H]([C@H](OCC1=O)c1ccccc1)c1ccc2ccccc2c1 |r|
NC[C@@H](Cc1ccccc1O)c1ccc2ccccc2c1 |r|
CN(C)C[C@@H]([C@H](O)c1cccs1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](OC)c1ccc2OCOc2c1)c1ccc2ccccc2c1 |r|
NCC(Cc1ccccc1F)c1ccc2ccccc2c1
CNC[C@H](Cc1ccccc1F)c1ccc2ccccc2c1 |r|
CNCC(Cc1ccc(C)s1)c1ccc2ccccc2c1
CNC[C@H](Cc1ccccc1O)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@@H](O)c1cc(F)cc(F)c1)c1ccc2ccccc2c1 |r|
CNC[C@H]([C@H](O)c1cc(F)cc(F)c1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1ccc2OCCOc2c1)c1ccc2ccccc2c1 |r|
CNC[C@H]([C@@H](O)c1cccs1)c1ccc2ccccc2c1 |r|
CNC[C@H]([C@@H](O)c1ccc2OCCOc2c1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](Cl)c1ccccc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@H](O)c1cccc(I)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@@H](O)c1ccccc1I)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1ccncc1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1ccccc1SC)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](O)c1cccc(OC)n1)c1ccc(Cl)c(Cl)c1 |r|
CCc1ccccc1[C@@H](O)[C@H](CNC)c1ccc(Cl)c(Cl)c1 |r|
CCc1cccc(c1)[C@@H](O)[C@H](CNC)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1ccccc1OC)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@@H](O)c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](O)c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@@H](O)c1cccc(SC)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1ccccc1I)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@@H](O)c1cccc(I)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1cncc(OC)c1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1cccc(OC)n1)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@@H]([C@H](O)c1cccc(c1)N(C)C)c1ccc(Cl)c(Cl)c1 |r|
CNCC([C@@H](O)c1ccc(Cl)nc1)c1ccc2ccccc2c1 |r|
CNC[C@@H]([C@@H](O)c1ccccc1S(C)(=O)=O)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](O)c1cccnc1OC)c1ccc(Cl)c(Cl)c1 |r|
CNC[C@H]([C@@H](OC)c1cccc(NS(=O)(=O)C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 |r|
Clc1ccc(cc1Cl)[C@@]12C[C@@H]1CNC2 |r|
c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F
Clc1cccc(c1)C(c1ccc2[nH]cnc2c1)n1ccnc1
CCC(CC)C(c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1
CC(C(c1ccc(Nc2nc3ccccc3s2)cc1)n1ccnc1)N(C)C
CC1(CCC(c2c1ccc(c2)NC(=O)c3ccc(cc3)C(=O)O)(C)C)C
CC1(CCC(c2c1ccc(c2)C(=O)Nc3ccc(cc3)C(=O)O)(C)C)C
C/C(=C\c1ccc(cc1)C(=O)O)/c2ccc3c(c2)C(CCC3(C)C)(C)C
CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)COc1ccc(cc1)C(O)=O
CC1(C)CCC(C)(C)c2cc(ccc12)C(O)COc1ccc(cc1)C(O)=O
CC1(C)CCC(C)(C)c2cc(ccc12)C(\COc1ccc(cc1)C(O)=O)=N/O
CC1(C)C(=O)C(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O
CC1(CCC(c2c1ccc(c2)[C@H](C(=O)Nc3ccc(cc3F)C(=O)O)O)(C)C)C
CC1(C)CCSc2ccc(cc12)C#Cc1ccc(cn1)C(O)=O
CC1(C)CCC(C)(C)c2cc(ccc12)C#Cc1ccc(cc1)C(O)=O
CCOC(=O)c1ccc(nc1)C#Cc1ccc2SCCC(C)(C)c2c1
COC(=O)c1ccc(OCC(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1
COC(=O)c1ccc(OC\C(=N\O)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1
COC(=O)c1ccc(OC\C(=N/O)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1
[H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@H](C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)c1n[nH]c(=O)o1 |r|
C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(C)c3C#N)[C@H]12)c1n[nH]c(=O)o1 |r|
C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(C)c3C#N)[C@H]12)c1nnc(N)o1 |r|
[H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@H](C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)c1nnc(N)o1 |r|
C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(C)c3C#N)[C@H]12)c1nnc(C)o1 |r|
C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(C)c3C#N)[C@H]12)c1nnc(o1)C1CC1 |r|
C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(C)c3C#N)[C@H]12)c1nnc(o1)-c1ccccc1 |r|
[H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@H](C)[C@@H]2\C=C\c1ccc(cn1)-c1cccc(F)c1)c1n[nH]c(=O)o1 |r|
C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@H]12)c1cc([nH]n1)C(C)(C)C |r|
C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(C)c3C#N)[C@H]12)c1cc(n(C)n1)C(C)(C)C |r|
C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(C)c3C#N)[C@H]12)c1cc(C)n(C)n1 |r|
[H][C@@]12[C@@H](C)OC(=O)[C@@]1(CC(F)(F)[C@@H](C)[C@@H]2\C=C\c1ccc(cn1)-c1ccccc1C#N)c1cc[nH]n1 |r|
C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccnc3C#N)[C@H]12)c1cc[nH]n1 |r|
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)CC2=C(CNC(=O)[C@H](O)C3CC3)C3C=C4OCOC4=CC3N=C21
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)CC2=C(CNC(=O)[C@@H](O)C3CC3)C3C=C4OCOC4=CC3N=C21
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(c(F)c1c2CNC(=O)[C@@H](O)C1CC1)OCO3
[2H]C1([2H])OC2=CC3N=C4C(=C(CNC(=O)C(O)C5CC5)C3C=C2O1)Cn1c4cc2c(c1=O)COC(=O)[C@]2(O)CC
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1c(cnc2[nH]ccc12)C#N
CS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12
CC(C)CS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ccnc2[nH]ccc12
CC(C)S(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1c(cnc2[nH]ccc12)C#N
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cc1C#N)-c1ncnc2[nH]ccc12
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(c(Cl)n1)-c1ccnc2[nH]ccc12
CC(C)S(=O)(=O)N1CC(CC#N)(C1)n1cc(c(C)n1)-c1ncnc2[nH]ccc12
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1c(Cl)cnc2[nH]ccc12
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1c(F)cnc2[nH]ccc12
FCCCN1CC(Nc2ccc(C3=C(CC(F)(F)F)CCCc4c3ccc3[nH]nc(F)c43)nc2)C1
FCCCN1CC(Nc2cnc(C3=C(CC(F)(F)F)CCOc4c3ccc3[nH]ncc43)cn2)C1
FCCCN1CC(Nc2ncc(C3=C(CC(F)(F)F)CCCc4c3ccc3[nH]ncc43)cn2)C1
FCCCN1CC(Nc2cnc(C3=C(CC(F)(F)F)CCCc4c3ccc3[nH]nc(F)c43)cn2)C1
N#Cc1cc(C2=C(CC(F)(F)F)CCCc3c2ccc2[nH]nc(F)c32)ncc1NC1CN(CCCF)C1
FCCCN1CC[C@H](Nc2cnc(C3=C(CC(F)(F)F)CCCc4c3ccc3[nH]nc(F)c43)cn2)C1
COc1ccsc1CNCC[C@]2(CCOC3(C2)CCCC3)c4ccccn4
COc1ccsc1CNCC[C@]1(CCO[C@]2(CCOC2)C1)c1ccccn1 |r|
C(C[C@]1(CCO[C@]2(CCOC2)C1)c1ccccn1)NCc1scc2CCCc12 |r|
Clc1cccc(CNCC[C@]2(CCO[C@]3(CCOC3)C2)c2ccccn2)c1 |r|
Cc1cccc(CNCC[C@]2(CCO[C@]3(CCOC3)C2)c2ccccn2)c1 |r|
Fc1ccc(nc1)[C@]1(CCNCc2cccc(Cl)c2)CCO[C@]2(CCOC2)C1 |r|
Fc1cc(Cl)cc(CNCC[C@]2(CCO[C@]3(CCOC3)C2)c2ccccn2)c1 |r|
Cc1cccc(CNCC[C@]2(CCO[C@]3(CCOC3)C2)c2ccc(F)cn2)c1 |r|
Fc1ccc(nc1)[C@]1(CCNCc2cccc(F)c2)CCO[C@]2(CCOC2)C1 |r|
Fc1ccc(nc1)[C@]1(CCN[C@H]2CCc3ccccc23)CCO[C@]2(CCOC2)C1 |r|
CCCCOc1nc(N)c2cnn(Cc3ccc(CN4CCCC4)cc3)c2n1
CCCCOc1nc(N)c2cnn(Cc3ccc(CN4CCC4)cc3)c2n1
CCCCOc1nc(N)c2cnn(Cc3ccc(CN4CCCCC4)cc3)c2n1
CCCCOc1nc(N)c2cnn(Cc3cccc(CN4CCCC4)c3)c2n1
CCCCOc1nc(N)c2cnn(Cc3cccc(CN4CCCCC4)c3)c2n1
COCCOc1nc(N)c2cnn(Cc3ccc(CN4CCCC4)cc3)c2n1
CCCCC(=O)c1nc(N)c2cnn(Cc3ccc(CN4CCCC4)cc3)c2n1
CNC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C |r|
COC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C |r|
CNC(=O)O[C@]1(CCN(C)CCCc2nc3c(C)ccc(C)c3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C |r|
CC(C)[C@H]1c2ccc(F)cc2CC[C@@]1(CCN(C)CCCc1nc2c(C)ccc(C)c2[nH]1)OC(=O)NCCN(C)C |r|
CNC(=O)O[C@]1(CCN(C)CCCc2nc3c(OC)ccc(OC)c3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C |r|
COCCNC(=O)O[C@]1(CCN(C)CCCc2nc3c(OC)ccc(OC)c3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C |r|
CC(C)[C@H]1c2ccc(F)cc2CC[C@@]1(CCN(C)CCC(C)(C)c1nc2ccccc2[nH]1)OC(=O)N1CCOCC1 |r|
CNC(=O)O[C@]1(CCN(C)CCC(C)(C)c2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C |r|
CC(C)[C@H]1c2ccc(F)cc2CC[C@@]1(CCN(C)CCC(C)(C)c1nc2ccccc2[nH]1)OC(=O)NCCN(C)C |r|
COCCNC(=O)O[C@]1(CCN(C)CCC(C)(C)c2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C |r|
CC(C)[C@H]1c2ccc(F)cc2CC[C@@]1(CCN(C)CCCc1nc2c(C)ccc(C)c2[nH]1)OC(=O)N1CCOCC1 |r|
CC(C)[C@H]1c2ccc(F)cc2CC[C@@]1(CCN(C)CCCc1nc2c(C)ccc(C)c2[nH]1)OC(=O)N(C)C |r|
CNC(=O)O[C@@]1(CCN(C)CCCc2nc3c(C)ccc(C)c3[nH]2)COc2cc(F)ccc2[C@@H]1C(C)C |r|
CNC(=O)O[C@]1(CCN(C)CCCc2nc3c(C)ccc(C)c3[nH]2)COc2cc(F)ccc2[C@@H]1C(C)C |r|
CC(C)[C@H]1c2ccc(cc2CC[C@@]1(CCN(C)CCCc3[nH]c4ccccc4n3)OC(=O)COC)F
O=C(C1CCCN(Cc2ccccc2)C1)c1ccncc1
O=C(C1CCCN(Cc2ccccc2)C1)c1ncccn1
O=C(C1CCCN(Cc2ccccc2)C1)c1ccccn1
CCc1ccc(NC(=O)c2cc(coc2=N)C(=O)c2cc(OC)ccc2O)cc1
Clc1ccccc1CNC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1Cc1ccco1
CC1N=C(SC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)SC1CC(N)=O |t:2|
COC(C)C(=O)Nc1cccc(NC(C(N)=O)c2ccccc2)c1
CCCC(=O)Nc1ccc(cc1)C(=O)C(C)OC(=O)c1n[nH]c2ccccc12
Clc1cc2NC(=O)COc2cc1NCc1cccc(NC(=O)c2ccccc2Cl)c1
Oc1cc2NC(=O)COc2cc1NCc1cccc(c1)C(=O)Nc1cccnc1
Oc1ccccc1NC(=O)c1ccc(Oc2cccc(c2)C(=O)Nc2ccccc2O)cc1
O=C(Nc1cccnc1)c1cccc(CNc2ccc3NC(=O)COc3c2)c1
Oc1ccccc1NC(=O)c1cccc(CNc2ccc3NC(=O)COc3c2)c1
Clc1ccc(NC(=O)c2cn[nH]c2)cc1C(=O)Nc1ccc2NC(=O)COc2c1
Clc1cc2NC(=O)COc2cc1NCc1cccc(c1)C(=O)Nc1cccnc1
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CC[C@H](C1)B(O)O |r|
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CC=C(C1)B(O)O |r,c:43|
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(CC1)B(O)O |r|
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC[C@H]1B(O)O |r|
COCCOCCNCCCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N1CC[C@H](C1)B(O)O |r|
CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(C1)B(O)O |r,$;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
NCCCCN(CC1CN(CC[C@@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)CCN1)C1CCCc2cccnc12 |r|
NCCCCN(CC1CN(CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)CCN1)C1CCCc2cccnc12 |r|
CC(C)(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N2CC=C)O
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1ccc2c(n1)C(C)(O)C1(CC1)C2
C=CCn1c(=O)c2cnc(Nc3ccc(N4CC5CC(C4)N5C)cc3)nc2n1-c1ccc2c(n1)[C@@](C)(O)C1(CC2)CC1
[2H][C@]1(O)c2nc(-n3c4nc(Nc5ccc(N6CCC7(CCN(C)CC7)CC6)cc5)ncc4c(=O)n3CC=C)ccc2CCC12CC2
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCC5(CCN(C)CC5)CC4)cc3)nc2n1-c1ccc2c(n1)[C@](C)(O)C1(CC2)CC1
COc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(cc1OC)-c1nnn(n1)-c1ccc(CCN2CCn3cncc3C2)cc1
COc1cc(NC(=O)c2cnc3ccccc3c2)c(cc1OC)-c1nnn(n1)-c1ccc(CCN2CCc3cnccc3C2)cc1
COc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(cc1OC)-c1nnn(n1)-c1ccc(CCN(Cc2cccc(c2)-n2ccnc2)Cc2ccc3n(C)ncc3c2)cc1
COc1cc(NC(=O)c2cnc3ccccc3c2)c(cc1OC)-c1nnn(n1)-c1ccc(CCN(Cc2cccc(c2)-n2ccnc2)Cc2ccc3n(C)ncc3c2)cc1
COc1cc(NC(=O)c2cc(=O)c3ccc(C)cc3o2)c(cc1OC)-c1nnn(n1)-c1ccc(CCN(Cc2cccc(c2)-n2ccnc2)Cc2ccc3n(C)ncc3c2)cc1
COc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(cc1OC)-c1nnn(n1)-c1ccc(CCN2CCc3ccncc3C2)cc1
COc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(cc1OC)-c1nnn(n1)-c1ccc(CCN2CCc3cnccc3C2)cc1
COc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(cc1OC)-c1nnn(n1)-c1ccc(CCN2CCc3cc(ccc3C2)-n2ccnc2)cc1
COc1cc(NC(=O)c2cnc3ccccc3n2)c(cc1OC)-c1nnn(n1)-c1ccc(CCN2CCc3cnccc3C2)cc1
COc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(cc1OC)-c1nnn(n1)-c1ccc(CCN2CCc3ccc(cc3C2)-n2ccnc2)cc1
COc1cc(NC(=O)c2ccc3c(c2)oc2ccccc2c3=O)c(cc1OC)-c1nnn(n1)-c1ccc(CCN2CCc3cnccc3C2)cc1
COc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(cc1OCc1ccccc1)-c1nnn(n1)-c1ccc(CCN2CCc3cnccc3C2)cc1
COc1cc(NC(=O)c2cnc3ccccc3c2)c(cc1OCc1ccccc1)-c1nnn(n1)-c1ccc(CCN2CCc3cnccc3C2)cc1
CN(CCc1ccc(cc1)-n1nnc(n1)-c1ccc(C)cc1NC(=O)c1cc(=O)c2ccccc2o1)Cc1ccc2n(C)ncc2c1
COc1cc(NC(=O)c2cc(=O)c3ccccc3o2)c(cc1OCc1ccccc1)-c1nnn(n1)-c1ccc(CCN2CCn3cncc3C2)cc1
COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OC)c(OC)cc3NC(=O)c3cc(=O)c4cc(ccc4o3)-c3ccncc3)Cc2cc1OC
COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OC)c(OC)cc3NC(=O)c3cc(=O)c4cc(ccc4o3)-n3ccnc3)Cc2cc1OC
COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OC)c(OC)cc3NC(=O)c3ccc(cc3)-c3ccncc3)Cc2cc1OC
COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OC)c(OC)cc3NC(=O)c3ccc(cc3)-c3cccnc3)Cc2cc1OC
COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OC)c(OC)cc3NC(=O)c3ccc(cc3)-n3ccnc3)Cc2cc1OC
COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(Oc4cccnc4)ccc3NC(=O)c3cc(=O)c4ccccc4o3)Cc2cc1OC
COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(Oc4ccncc4)ccc3NC(=O)c3cc(=O)c4ccccc4o3)Cc2cc1OC
COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OCc4ccncc4)ccc3NC(=O)c3cc(=O)c4ccccc4o3)Cc2cc1OC
COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OCc4cccnc4)ccc3NC(=O)c3cc(=O)c4ccccc4o3)Cc2cc1OC
COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OCCc4cccnc4)ccc3NC(=O)c3cc(=O)c4ccccc4o3)Cc2cc1OC
COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OCc4ccccc4)c(OC)cc3NC(=O)c3cc(=O)c4ccccc4o3)Cc2cc1OC
COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OCc4cccnc4)c(OC)cc3NC(=O)c3cc(=O)c4ccccc4o3)Cc2cc1OC
COc1cccc2c1Nc3c(cccc3C(=O)Nc4ccc(cc4)CCN5CCc6cc(c(cc6C5)OC)OC)C2=O
COc1cc2c(cc1OC)CN(CC2)CCc3ccc(cc3)NC(=O)c4cc(c(cc4NC(=O)c5cc6ccccc6nc5)OC)OC
COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OC)c(OC)cc3NC(=O)c3cc(=O)c4ccccc4o3)Cc2cc1OC
Cc1cccc(n1)-n1nccc1-c1ccc2ccnn2c1
Cc1cccc(n1)-n1nccc1-c1cnn2ccnc2c1
Cc1cccc(n1)-n1nccc1-c1ccc2[nH]ncc2c1
Cc1cccc(n1)-n1nccc1-c1ccc2nnc(C(N)=O)n2c1
Cc1cccc(n1)-n1nccc1-c1ccc2ncc(C(N)=O)n2c1
Cc1cccc(n1)-n1nccc1-c1ccc2ncc(C(N)=O)n2n1
CC1(CCCN1)c1ccc(cc1)-c1[nH]c2cc(F)cc3C(=O)NOCc1c23
CC3(O)CCC(NS(=O)(=O)c2ccc(c1ccc(F)cc1F)cc2)CC3
C[C@@]3(O)CC[C@@H](NS(=O)(=O)c2ccc(c1ccc(Cl)cc1C#N)cc2)CC3
CC3(O)CCC(NS(=O)(=O)c2ccc(c1ccc(C#N)cc1C#N)c(F)c2)CC3
CC1(O)CCC(CC1)NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1Cl)C#N
CC3(O)CCC(NS(=O)(=O)c2ccc(c1cc(F)c(F)cc1F)cc2)CC3
CC1(O)CCC(CC1)NS(=O)(=O)c1ccc(c(Cl)c1)-c1ccc(Cl)cc1C#N
CC1(O)CCC(CC1)NS(=O)(=O)c1ccc(cc1)-c1ncc(Cl)cc1C#N
CC1(O)CCC(CS(=O)(=O)c2ccc(cc2)-c2ccc(cc2F)C#N)CC1 |(6.54,29.63,;7.31,28.3,;8.85,28.3,;8.08,26.97,;7.31,25.63,;5.78,25.63,;5,24.3,;3.47,24.3,;3.47,25.84,;3.47,22.76,;1.93,24.3,;1.15,22.97,;-.38,22.97,;-1.15,24.3,;-.38,25.63,;1.15,25.63,;-2.69,24.3,;-3.47,22.97,;-5,22.97,;-5.83,24.3,;-5,25.63,;-3.47,25.63,;-2.69,26.97,;-7.37,24.3,;-8.91,24.3,;5,26.97,;5.78,28.3,)|
C[C@]1(O)CC[C@H](CS(=O)(=O)c2ccc(cc2C(F)(F)F)-c2ccc(cc2F)C#N)CC1 |r,wU:5.5,1.0,wD:1.1,(6.54,20.4,;7.31,19.07,;8.85,19.07,;5.78,19.07,;5,17.73,;5.78,16.4,;5,15.07,;3.47,15.07,;3.47,16.61,;3.47,13.53,;1.93,15.07,;1.15,16.4,;-.38,16.4,;-1.15,15.07,;-.38,13.73,;1.18,13.68,;1.95,12.35,;2.72,11.02,;3.46,12.67,;.62,11.58,;-2.69,15.07,;-3.47,13.73,;-5,13.73,;-5.83,15.07,;-5,16.4,;-3.47,16.4,;-2.69,17.73,;-7.37,15.07,;-8.91,15.07,;7.31,16.4,;8.08,17.73,)|
C[C@@]1(O)CC[C@H](CS(=O)(=O)c2ccc(cc2C(F)(F)F)-c2ccc(cc2F)C#N)CC1 |r,wU:5.5,1.1,wD:1.0,(6.54,20.4,;7.31,19.07,;8.85,19.07,;5.78,19.07,;5,17.73,;5.78,16.4,;5,15.07,;3.47,15.07,;3.47,16.61,;3.47,13.53,;1.93,15.07,;1.15,16.4,;-.38,16.4,;-1.15,15.07,;-.38,13.73,;1.18,13.68,;1.95,12.35,;2.72,11.02,;3.46,12.67,;.62,11.58,;-2.69,15.07,;-3.47,13.73,;-5,13.73,;-5.83,15.07,;-5,16.4,;-3.47,16.4,;-2.69,17.73,;-7.37,15.07,;-8.91,15.07,;7.31,16.4,;8.08,17.73,)|
CC1(O)CCC(CS(=O)(=O)c2ccc(c(F)c2)-c2ncc(F)cc2F)CC1 |(6.02,9.79,;6.79,8.46,;8.33,8.46,;7.56,7.12,;6.79,5.79,;5.25,5.79,;4.48,4.46,;2.94,4.46,;2.94,6,;2.94,2.92,;1.4,4.46,;.63,5.79,;-.91,5.79,;-1.68,4.46,;-.91,3.12,;-1.68,1.79,;.63,3.12,;-3.22,4.46,;-3.99,3.12,;-5.53,3.12,;-6.3,4.46,;-7.84,4.46,;-5.53,5.79,;-3.99,5.79,;-3.22,7.12,;4.48,7.12,;5.25,8.46,)|
CC1(O)CCC(CS(=O)(=O)c2ccc(cc2)-c2ccc(cc2Cl)C#N)CC1
CC1(O)CCC(CS(=O)(=O)c2ccc(cc2C(F)(F)F)-c2ncc(F)cc2F)CC1 |(6.02,8.79,;6.79,7.46,;8.33,7.46,;7.56,6.12,;6.79,4.79,;5.25,4.79,;4.48,3.45,;2.94,3.45,;2.94,4.99,;2.94,1.91,;1.4,3.45,;.63,4.79,;-.91,4.79,;-1.68,3.45,;-.91,2.12,;.65,2.07,;1.42,.74,;2.19,-.59,;2.93,1.06,;.09,-.03,;-3.22,3.45,;-3.99,2.12,;-5.53,2.12,;-6.3,3.45,;-7.84,3.45,;-5.53,4.79,;-3.99,4.79,;-3.22,6.12,;4.48,6.12,;5.25,7.46,)|
CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1cncn1C)N1CCCC1=O |r|
CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CCCC1=O |r|
CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCCc1nccn1C)N1CCCC1=O |r|
CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCc1nccn1C)N1CC[C@@H](O)C1=O |r|
CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCCc1nccn1C)N1CC[C@H](O)C1=O |r|
CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c2ccc(s2)Cl)C(=O)OCCc3nccn3C)N4CC[C@@H](C4=O)O
N[Pt](N)(Cl)Cl
Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1
COc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1
FC(F)(F)c1ccc(Cn2cc(NC(=O)c3cc(on3)-c3ccco3)cn2)c(c1)C(F)(F)F
C[C@H](c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2cc(on2)-c2ccccn2)cn1 |r|
C[C@H](c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2cc(on2)-c2ccco2)cn1 |r|
FC(F)(F)c1ccc(Cn2cc(NC(=O)c3cc(on3)-c3ccccn3)cn2)c(c1)C(F)(F)F
C[C@H](c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2noc(c2C)-c2ccccn2)cn1 |r|
CC(c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2cnc(s2)-c2ccccn2)cn1
C[C@H](c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2cc(on2)-c2cnccn2)cn1 |r|
C[C@H](c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2cc(no2)-c2ccccn2)cn1 |r|
FC(F)(F)c1ccc(Cn2cc(NC(=O)c3cc(on3)-c3cnccn3)cn2)c(c1)C(F)(F)F
C[C@H](c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2cn(nn2)-c2ccccn2)cn1 |r|
C[C@H](c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2nnc(s2)-c2ccccn2)cn1 |r|
FC(F)(F)c1ccc(Cn2cc(NC(=O)c3cc(on3)-c3ncccn3)cn2)c(c1)C(F)(F)F
CC(c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2nnc(s2)-c2cnccn2)cn1
C[C@H](c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2nnc(s2)-c2cnccn2)cn1 |r|
Cc1c(NC(=O)c2cc(on2)-c2ccco2)cnn1Cc1ccc(cc1C(F)(F)F)C(F)(F)F
C[C@H](c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2cc(on2)-c2ccccn2)c(C)n1 |r|
CC(c1ccc(cc1C(F)(F)F)C(F)(F)F)n1cc(NC(=O)c2nnc(s2)-c2ccccn2)c(C)n1
Cc1ncccc1-n1c2nc(ccc2c2n(C)cnc2c1=O)C(F)(F)F |(-10.13,-5.56,;-11.47,-6.33,;-11.47,-7.87,;-12.8,-8.64,;-14.13,-7.87,;-14.13,-6.33,;-12.8,-5.56,;-12.8,-4.02,;-11.47,-3.25,;-10.13,-4.02,;-8.8,-3.25,;-8.8,-1.71,;-10.13,-.94,;-11.47,-1.71,;-12.8,-.94,;-13.12,.57,;-12.03,1.66,;-14.65,.73,;-15.28,-.68,;-14.13,-1.71,;-14.13,-3.25,;-15.47,-4.02,;-7.47,-4.02,;-6.13,-4.79,;-6.7,-2.68,;-8.24,-5.35,)|
Cn1cnc2c1c1ccc(nc1n(-c1cccc(F)c1Cl)c2=O)C(F)(F)F |(-5.48,7.46,;-6.56,6.37,;-8.1,6.53,;-8.72,5.12,;-7.58,4.09,;-6.24,4.86,;-4.91,4.09,;-3.58,4.86,;-2.24,4.09,;-2.24,2.55,;-3.58,1.78,;-4.91,2.55,;-6.24,1.78,;-6.24,.24,;-4.91,-.53,;-4.91,-2.07,;-6.24,-2.84,;-7.58,-2.07,;-8.91,-2.84,;-7.58,-.53,;-8.91,.24,;-7.58,2.55,;-8.91,1.78,;-.91,1.78,;.42,1.01,;-.14,3.11,;-1.68,.45,)|
Cn1cnc2c1c1ccc(Cl)nc1n(-c1cccc(F)c1Cl)c2=O |(5.02,-19.03,;3.99,-20.17,;2.46,-20.01,;1.83,-21.42,;2.98,-22.45,;4.31,-21.68,;5.64,-22.45,;6.98,-21.68,;8.31,-22.45,;8.31,-23.99,;9.64,-24.76,;6.98,-24.76,;5.64,-23.99,;4.31,-24.76,;4.31,-26.3,;2.98,-27.07,;2.98,-28.61,;4.31,-29.38,;5.64,-28.61,;6.98,-29.38,;5.64,-27.07,;6.98,-26.3,;2.98,-23.99,;1.64,-24.76,)|
Cc1ncccc1-n1c2nc(ccc2c2ocnc2c1=O)C(F)(F)F |(6.98,-26.3,;5.64,-27.07,;5.64,-28.61,;4.31,-29.38,;2.98,-28.61,;2.98,-27.07,;4.31,-26.3,;4.31,-24.76,;5.64,-23.99,;6.98,-24.76,;8.31,-23.99,;8.31,-22.45,;6.98,-21.68,;5.64,-22.45,;4.31,-21.68,;3.99,-20.17,;2.46,-20.01,;1.83,-21.42,;2.98,-22.45,;2.98,-23.99,;1.64,-24.76,;9.64,-24.76,;9.64,-26.3,;10.98,-23.99,;10.98,-25.53,)|
Cn1cnc2c1c1ccc(nc1n(-c1cccnc1C(F)(F)F)c2=O)C(F)(F)F |(4.33,-14.5,;3.3,-15.65,;1.77,-15.49,;1.14,-16.89,;2.29,-17.93,;3.62,-17.16,;4.96,-17.93,;6.29,-17.16,;7.62,-17.93,;7.62,-19.47,;6.29,-20.24,;4.96,-19.47,;3.62,-20.24,;3.62,-21.78,;2.29,-22.55,;2.29,-24.09,;3.62,-24.86,;4.96,-24.09,;5.03,-22.46,;6.35,-21.67,;7.68,-20.89,;7.14,-23,;5.57,-20.35,;2.29,-19.47,;.96,-20.24,;8.96,-20.24,;9.73,-18.9,;8.19,-21.57,;10.29,-21.01,)|
Cn1cnc2c1c1ccc(nc1n(-c1cccnc1C1CC1)c2=O)C(F)(F)F |(4.61,-19.69,;3.58,-20.83,;2.04,-20.67,;1.42,-22.08,;2.56,-23.11,;3.9,-22.34,;5.23,-23.11,;6.56,-22.34,;7.9,-23.11,;7.9,-24.65,;6.56,-25.42,;5.23,-24.65,;3.9,-25.42,;3.9,-26.96,;2.56,-27.73,;2.56,-29.27,;3.9,-30.04,;5.23,-29.27,;5.23,-27.73,;6.56,-26.96,;8.1,-26.96,;7.33,-25.62,;2.56,-24.65,;1.23,-25.42,;9.23,-25.42,;10,-24.08,;8.91,-26.92,;10.56,-26.19,)|
Cc1ncccc1-n1c2cc(ccc2c2n(C)cnc2c1=O)C(F)(F)F |(6.06,-21.29,;4.73,-22.07,;4.74,-23.61,;3.41,-24.39,;2.07,-23.63,;2.06,-22.09,;3.39,-21.31,;3.38,-19.77,;4.71,-18.99,;6.05,-19.76,;7.38,-18.98,;7.37,-17.44,;6.03,-16.68,;4.7,-17.45,;3.37,-16.69,;3.04,-15.19,;4.06,-14.04,;1.5,-15.03,;.89,-16.44,;2.04,-17.47,;2.05,-19.01,;.72,-19.79,;8.72,-19.74,;10.06,-20.5,;9.48,-18.4,;7.96,-21.08,)|
Cn1cnc2c1c1ccc(cc1n(-c1cccnc1C1CC1)c2=O)C(F)(F)F |(4.57,-16.23,;3.54,-17.38,;2.01,-17.23,;1.39,-18.64,;2.54,-19.66,;3.87,-18.89,;5.21,-19.65,;6.54,-18.87,;7.88,-19.63,;7.89,-21.17,;6.56,-21.95,;5.22,-21.19,;3.89,-21.97,;3.9,-23.51,;2.57,-24.28,;2.58,-25.82,;3.92,-26.59,;5.25,-25.81,;5.24,-24.27,;6.57,-23.49,;8.11,-23.48,;7.32,-22.15,;2.55,-21.2,;1.22,-21.98,;9.22,-21.94,;10.56,-22.7,;9.99,-20.6,;8.91,-23.44,)|
Cn1cnc2c1-c3ccc(cc3N(C2=O)c4cccnc4C5CC5)Cl
FC(F)(F)c1ccc2c3ocnc3c(=O)n(-c3cccnc3C3CC3)c2n1 |(-1.09,-5.96,;-2.42,-5.19,;-1.65,-3.85,;-3.19,-6.52,;-3.76,-4.42,;-3.76,-2.88,;-5.09,-2.11,;-6.42,-2.88,;-7.76,-2.11,;-8.08,-.6,;-9.61,-.44,;-10.23,-1.85,;-9.09,-2.88,;-9.09,-4.42,;-10.42,-5.19,;-7.76,-5.19,;-7.76,-6.73,;-6.42,-7.5,;-6.42,-9.04,;-7.76,-9.81,;-9.09,-9.04,;-9.09,-7.5,;-10.42,-6.73,;-11.33,-5.48,;-11.96,-6.89,;-6.42,-4.42,;-5.09,-5.19,)|
C[C@@H](Nc1ncc(cn1)C(=O)N1CC[C@@H](C1)N(C)C(C)=O)c1ccc(cc1F)C(F)(F)F |r|
OC(=O)CNC(=O)c1nc(Cl)c2nc(Oc3ccccc3)ccc2c1O
OC(=O)CNC(=O)c1nc(Br)c2nc(Oc3ccccc3)ccc2c1O
OC(=O)CNC(=O)c1nc(Cl)c2nc(Oc3ccccc3Cl)ccc2c1O
OC(=O)CNC(=O)c1nc(Br)c2nc(Oc3ccccc3Cl)ccc2c1O
OC(=O)CNC(=O)c1nc(Cl)c2nc(Oc3cccc(Cl)c3)ccc2c1O
OC(=O)CNC(=O)c1nc(Br)c2nc(Oc3cccc(Cl)c3)ccc2c1O
OC(=O)CNC(=O)c1nc(Cl)c2nc(Oc3ccc(Cl)cc3)ccc2c1O
OC(=O)CNC(=O)c1nc(Br)c2nc(Oc3ccc(Cl)cc3)ccc2c1O
CC[C@@H](N)C(=O)N[C@H](Cc1csc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CCNCC1)C(N)=O |r|
CC[C@H](N)C(=O)N[C@H](Cc1csc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CCNCC1)C(N)=O |r|
NCC(=O)N[C@H](Cc1csc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CCNCC1)C(N)=O |r|
C[C@@H](N)C(=O)N[C@H](Cc1csc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CCNCC1)C(N)=O |r|
CC(C)[C@@H](N)C(=O)N[C@H](Cc1csc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CCNCC1)C(N)=O |r|
CC(C)C[C@@H](N)C(=O)N[C@H](Cc1csc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CCNCC1)C(N)=O |r|
NC(=O)C1(CCNCC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)[C@@H]1CCCN1 |r|
NCCC(=O)N[C@H](Cc1csc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CCNCC1)C(N)=O |r|
N[C@H]1CCC[C@H]1C(=O)N[C@H](Cc1csc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CCNCC1)C(N)=O |r|
NCC1(CCC1)C(=O)N[C@H](Cc1csc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CCNCC1)C(N)=O |r|
NC(=O)C1(CCNCC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)C1CNC1 |r|
NC(=O)C1(CCNCC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)C1(N)COC1 |r|
NC(=O)C1(CCNCC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)[C@H]1CCN1 |r|
NC(=O)C1(CCNCC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)[C@H]1CCNC1 |r|
NC(=O)C1(CCNCC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)C12C[C@H]1CNC2 |r|
CC[C@@H](N)C(=O)N[C@H](Cc1csc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCCN)C(N)=O |r|
CC[C@H](N)C(=O)N[C@H](Cc1csc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCCN)C(N)=O |r|
NCCCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)[C@@H]1CCCN1)C(N)=O |r|
NCCCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)CCN)C(N)=O |r|
CC(C)(C)[C@@H](N)C(=O)N[C@H](Cc1csc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCCN)C(N)=O |r|
CC(C)(C)[C@H](N)C(=O)N[C@H](Cc1csc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCCN)C(N)=O |r|
NCCCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)[C@@H]1CCC[C@@H]1N)C(N)=O |r|
NCCCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)C1(CN)CCC1)C(N)=O |r|
NCCCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)C1CNC1)C(N)=O |r|
NCCCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)C1(N)COC1)C(N)=O |r|
NCCCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)[C@H]1CCNC1)C(N)=O |r|
N[C@H]1CCC[C@H]1C(=O)N[C@H](Cc1csc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
NCC1(CCC1)C(=O)N[C@H](Cc1csc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)[C@H]1CCNC1 |r|
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)[C@H]1CNCCO1 |r|
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1csc2ccccc12)NC(=O)[C@]12C[C@H]1CNC2 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](N1CC(F)(F)F)c1c(F)cc(N[C@H]2CCN(CCCF)C2)cc1F
C[C@@H]1Cc2c([nH]c3cc(F)ccc23)[C@H](N1CC(F)(F)F)c1c(F)cc(N[C@H]2CCN(CCCF)C2)cc1F
C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](N1CC(F)(F)F)c1c(F)cc(N[C@H]2CCN(CCCF)C2)cc1F |r|
C[C@@H]1Cc2c([nH]c3cc(ccc23)C#C)[C@H](N1CC(F)(F)F)c1c(F)cc(N[C@H]2CCN(CCCF)C2)cc1F |r|
C[C@@]12CCC(CN(C1)c1nc(OC[C@@]34CCCN3C[C@H](F)C4)nc3c(F)c(c(F)cc13)-c1nc(O)nc3cccc(C#C)c13)N2 |r,wU:19.21,1.0,wD:13.13,1.1,3.3,(-2.75,-12.42,;-1.42,-13.19,;-.63,-14.11,;.53,-14.11,;1.25,-13.19,;1.25,-14.73,;-.08,-15.5,;-1.42,-14.73,;-.08,-17.04,;1.25,-17.81,;1.25,-19.35,;2.58,-20.12,;3.92,-19.35,;5.25,-20.12,;4,-21.02,;4.48,-22.49,;6.02,-22.49,;6.5,-21.02,;7.74,-20.12,;7.27,-18.65,;8.04,-17.32,;5.73,-18.65,;-.08,-20.12,;-1.42,-19.35,;-2.75,-20.12,;-2.75,-21.66,;-4.09,-19.35,;-4.09,-17.81,;-5.42,-17.04,;-2.75,-17.04,;-1.42,-17.81,;-5.42,-20.12,;-6.75,-19.35,;-8.09,-20.12,;-9.42,-19.35,;-8.09,-21.66,;-6.75,-22.43,;-6.75,-23.97,;-5.42,-24.74,;-4.09,-23.97,;-4.09,-22.43,;-2.6,-22.83,;-1.11,-23.22,;-5.42,-21.66,;-.08,-12.42,)|
COc1ccc(cc1O)-c1c(O)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
COc1ccc(cc1O)-c1cnc(N2CCC(N)CC2)c(C#N)c1-c1ccc(C#N)c(F)c1
NC1CCN(CC1)c1ncc(-c2ccc(c(O)c2)C(F)(F)F)c(-c2ccc(C#N)c(F)c2)c1C#N
Cc1noc2cc(c(F)cc12)-c1cnc(N2CCC(N)CC2)c(C#N)c1-c1ccc(C#N)c(F)c1
COc1ccc(cc1O)-c1cnc(N2CC3CC2CC3N)c(C#N)c1-c1ccc(C#N)c(F)c1
CNC1CCN(CC1)c1ncc(-c2ccc(OC)c(O)c2)c(-c2ccc(C#N)c(F)c2)c1C#N
COc1ccc(cc1O)-c1cnc(N2CCC(C)(N)CC2)c(C#N)c1-c1ccc(C#N)c(F)c1
COc1ccc(cc1F)-c1c(OC)cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
Cc1noc2cc(c(F)cc12)-c1c(nc(N2C3CCC2CC(N)C3)n2ccnc12)-c1ccc(C#N)c(F)c1 |(-6.61,-5.21,;-6.13,-3.74,;-7.04,-2.49,;-6.13,-1.25,;-4.67,-1.72,;-3.33,-.95,;-2,-1.72,;-2,-3.26,;-.67,-4.03,;-3.33,-4.03,;-4.67,-3.26,;-.67,-.95,;-.67,.59,;.67,1.36,;2,.59,;3.33,1.36,;3.33,2.9,;4.75,2.79,;5.3,1.84,;4.67,.59,;6,1.36,;6,2.9,;7.34,3.67,;4.67,3.67,;2,-.95,;3.14,-1.99,;2.52,-3.39,;.99,-3.23,;.67,-1.72,;-2,1.36,;-3.33,.59,;-4.67,1.36,;-4.73,2.97,;-6.05,3.76,;-7.37,4.55,;-3.33,3.67,;-3.33,5.21,;-2,2.9,)|
COc1ccc(cc1F)-c1c(nc(N2C3CCC2CC(N)C3)n2ccnc12)-c1ccc(C#N)c(F)c1
Cc1noc2cc(c(F)cc12)-c1c(nc(N2CCC(N)CC2)n2ccnc12)-c1ccc(C#N)c(F)c1 |(-7.32,-3.73,;-5.81,-4.05,;-5.19,-5.45,;-3.65,-5.29,;-3.33,-3.79,;-2,-3.02,;-2,-1.48,;-3.33,-.71,;-4.42,.38,;-4.67,-1.48,;-4.67,-3.02,;-.67,-.71,;-.67,.83,;.67,1.6,;2,.83,;3.33,1.6,;3.33,3.14,;4.67,3.91,;6,3.14,;7.34,3.91,;6,1.6,;4.67,.83,;2,-.71,;3.14,-1.74,;2.52,-3.14,;.99,-2.98,;.67,-1.48,;-2,1.6,;-3.33,.83,;-4.67,1.6,;-4.73,3.22,;-6.05,4.01,;-7.37,4.8,;-3.33,3.91,;-3.33,5.45,;-2,3.14,)|
NC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(cc2)N2CCOCC2)c2nccn12
COc1ccc(cc1O)-c1c(nc(N2C3CCC2CC(N)C3)n2ccnc12)-c1ccc(C#N)c(F)c1
COc1ccc(cc1O)-c1c(nc(N2CC3CC2CC3N)n2ccnc12)-c1ccc(C#N)c(F)c1
COc1ccc(cc1F)-c1c(nc(N2CC3CC2CC3N)n2ccnc12)-c1ccc(C#N)c(F)c1
NC1CC2CCC(C1)N2c1nc(-c2ccc(C#N)c(F)c2)c(-c2cc3OCOc3cc2F)c2nccn12 |(7.34,3.33,;6,2.56,;6,1.02,;4.67,.25,;5.44,1.59,;3.95,1.98,;3.33,2.56,;4.67,3.33,;3.33,1.02,;2,.25,;.67,1.02,;-.67,.25,;-2,1.02,;-3.33,.25,;-4.67,1.02,;-4.73,2.64,;-6.05,3.43,;-7.37,4.22,;-3.33,3.33,;-3.33,4.87,;-2,2.56,;-.67,-1.29,;-2,-2.06,;-3.46,-1.58,;-4.61,-2.6,;-6.14,-2.43,;-6.78,-3.84,;-5.64,-4.87,;-4.3,-4.11,;-2.84,-4.59,;-1.69,-3.57,;-.22,-4.05,;.67,-2.06,;.99,-3.56,;2.52,-3.72,;3.14,-2.32,;2,-1.29,)|
COc1ccc(cc1O)-c1nc(CN[C@@H]2C[C@H]2c2ccc(F)cc2)cc(n1)C(=O)N1CCN(CC1)S(C)(=O)=O |r|
CS(=O)(=O)N1CCN(CC1)C(=O)c1cc(CN[C@@H]2C[C@H]2c2ccc(F)cc2)nc(n1)-c1ccc(cc1)N1CCOCC1 |r|
CC1CN(CC(C)N1)C(=O)c1cc(CN[C@@H]2C[C@H]2c2ccc(F)cc2)nc(n1)-c1ccc(cc1)C#N |r|
COc1ccc(cc1O)-c1c(cc(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1)C#N
COc1ccc(cc1O)-c1c2OCC(=O)Nc2c(nc1-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
CN1C(=O)C(=C(N=C1N2CCC(CC2)N)c3ccc(c(c3)F)C#N)c4ccc(c(c4)F)OC
Cc1cc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)ccc1Oc1ccn2ncnc2c1
COc1nccc(C2CC2)c1-c1ncc2N(C)C(=O)CN(Cc3ccc(cc3)-c3nc(cn3C)C(F)(F)F)c2n1
COc1ncnc(C2CC2)c1-c1ncc2c(n1)N(Cc1ccc(cc1)-n1nc(cc1C)C(F)(F)F)C(=O)OC2(C)C
Cc1cc(NC(=O)c2noc(=O)[nH]2)cc(C)c1Cc1ccc(O)c2CCCCc12
OC(=O)c1ccc(cc1O)-c1sc(C#N)c2CCC(F)(F)Cc12
C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(O)O
CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc12)OCOC(=O)OC(C)C
CC(C)OC(=O)[C@H](C)N[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc12)Oc1ccccc1
CCCCCCCCCCCCCCCCOCCCOP(O)(=O)CO[C@H](C)Cn1cnc2c(N)ncnc12 |r|
CCCCCCCCCCCCCCCCSCCCOP([O-])(=O)CO[C@H](C)Cn1cnc2c(N)ncnc12 |r|
CCCCCCCCCCCCCCCCCCOP([O-])(=O)CO[C@H](C)Cn1cnc2c(N)ncnc12 |r|
CCCCCCCCCCCCCCCOP([O-])(=O)CO[C@H](C)Cn1cnc2c(N)ncnc12 |r|
CCCCCCCCCCCCCCCCOP([O-])(=O)CO[C@H](C)Cn1cnc2c(N)ncnc12 |r|
C[C@H](Cn1cnc2c(N)ncnc12)OCP([O-])(=O)OCCCCCCCCCCCCCCCCCCC#C
C[C@H](Cn1cnc2c(N)ncnc12)OCP([O-])(=O)OCCCCCCCCCCCCCCCCC#C
C[C@H](Cn1cnc2c(N)ncnc12)OCP([O-])(=O)OCCCCCCCCCCCCCC#C |r|
C[C@H](Cn1cnc2c(N)ncnc12)OCP([O-])(=O)OCCCCCCCCCCCCCCCCC#C[Si](C)(C)C |r|
C[C@H](Cn1cnc2c(N)ncnc12)OCP([O-])(=O)OCCCCCCCCCCCCCCCCCC[Si](C)(C)C |r|
C[C@H](Cn1cnc2c(N)ncnc12)OCP([O-])(=O)OCCCCCCCCCCCCCCCCCC#CC(F)(F)F |r|
C[C@H](Cn1cnc2c(N)ncnc12)OCP([O-])(=O)OCCCCCCCCCCCCCCCCCCCC(F)(F)F |r|
C[C@H](Cn1cnc2c(N)ncnc12)OCP([O-])(=O)OCCCOCCCCCCCCCCCCCCC#C |r|
C[C@H](Cn1cnc2c(N)ncnc12)OCP([O-])(=O)OCCCOCCCCCCCCCCCCCC#CC(F)(F)F |r|
C[C@H](Cn1cnc2c(N)ncnc12)OCP([O-])(=O)OCCCOCCCCCCCCCCCCCCCC(F)(F)F |r|
C[C@H](Cn1cnc2c(N)ncnc12)OCP([O-])(=O)OCCCOCCCCCCCCCCCCC#C[Si](C)(C)C |r|
CCCCCCCCCCSCCCCCCCCCOP([O-])(=O)CO[C@H](C)Cn1cnc2c(N)ncnc12 |r|
CCCCSCCCCCCCCCCCCCCCOP(O)(=O)CO[C@H](C)Cn1cnc2c(N)ncnc12 |r|
COC(=O)CCCCCCCCCCCCCCCSCCCOP([O-])(=O)CO[C@H](C)Cn1cnc2c(N)ncnc12 |r|
C[C@H](Cn1cnc2c(N)ncnc12)OCP([O-])(=O)OCCCSCCCCCCCCCCCCCCCCC#C |r|
C[C@H](Cn1cnc2c(N)ncnc12)OCP([O-])(=O)OCCCSCCCCCCCCCCCCC#C[Si](C)(C)C |r|
C[C@H](Cn1cnc2c(N)ncnc12)OCP([O-])(=O)OCCCSCCCCCCCCCCCSc1ccccc1 |r|
C[C@H](Cn1cnc2c(N)ncnc12)OCP(O)(=O)OCCCSCCCCCCCCCCCOc1ccccc1 |r|
CCOc1cc2CCn3c(c\c(=N/c4c(C)cc(C)cc4C)n(CCNC(=O)c4[nH]nnc4OC)c3=O)-c2cc1OC
CCOc1cc2CCn3c(c\c(=N/c4c(C)cc(C)cc4C)n(CCNC(=O)c4c(O)nnn4C)c3=O)-c2cc1OC
CC(NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(c2)C#N)c(C)n1C)C(F)(F)F
Cc1c(C(=O)Nc2ccc(F)c(c2)C#N)c(C)n(C)c1C(=O)C(=O)NC1(COC1)C(F)(F)F
[2H]C1([2H])OC2=CC3C[C@@H](C)N(CC(F)(F)CO)[C@H](c4ccc(NC5CN(CCCF)C5)cn4)C3C=C2O1
CC(=O)N1CCC(CS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)CC1
CC(=O)N3CCC(CS(=O)(=O)c2ccc(c1ccc(C#N)cc1Cl)cc2)CC3
CC(=O)N1CCC(CS(=O)(=O)c2ccc(-c3ccc(Cl)cc3C#N)cc2)CC1
CC(=O)N3CCC(CS(=O)(=O)c2ccc(c1ccc(C(F)(F)F)cc1F)cc2)CC3
CC(=O)N1CCC(CS(=O)(=O)c2ccc(-c3c(F)cccc3F)cc2)CC1
CC(=O)N1CCC(CS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2C(F)(F)F)CC1
CCC(=O)N1CCC(CS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)CC1
CCCC[C@](C)(CO)Nc1nc(N)nc2cc(-c3ccc(CN4CCCC4)nc3)cnc12
CCCC[C@](C)(CO)Nc1nc(N)nc2cc(-c3ccc(C4CCN(C)CC4)nc3)cnc12
CCCCC(C)(CO)Nc1nc(N)nc2cc(-c3ccc(CN4CCN(C)CC4)nc3)cnc12
CCCC[C@](C)(CO)Nc1nc(N)nc2cc(-c3ccc(CN4CCN(C)CC4)nc3)cnc12
CCCC[C@](C)(CO)Nc1nc(N)nc2cc(-c3cnc(C4CCN(C)CC4)nc3)cnc12
Cc1ccn2c(C(=O)N3C[C@H]4C[C@@H](c5ccccc5C(F)(F)F)C[C@H]4C3)nnc2n1
O=C(c1nc2ncccn2n1)N1C[C@H]2C[C@@H](c3ccccc3C(F)(F)F)C[C@H]2C1
Cc1cnc2nc(C(=O)N3C[C@H]4C[C@@H](c5ccccc5C(F)(F)F)C[C@H]4C3)nn2c1
O=C(c2nc1ncc(CCO)cn1n2)N5C[C@@H]4C[C@H](c3ccccc3C(F)(F)F)C[C@@H]4C5
O=C(c1nc2ncc(CCO)cn2n1)N1C[C@@H]2CN(c3ccccc3C(F)(F)F)C[C@@H]2C1
O=C(c1nc2ncc(CCO)cn2n1)N1C[C@@H]2CN(c3cc(F)ccc3C(F)(F)F)C[C@@H]2C1
CCCCC1=N[C@@]2(CC3C[C@H]3C2)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2C)c(COCC)c1
CCCCC1=N[C@@]2(CC3C[C@H]3C2)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2Cl)c(COCC)c1
CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(c(COCC)c1)-c1ccccc1S(=O)(=O)Nc1noc(C)c1C |t:4|
COc1cnc(F)cc1-c1cnccc1C(=O)Nc1nnc(C#Cc2ccc(C#N)cc2)s1
COc1ccc(F)cc1-c1cnccc1C(=O)Nc1nnc(OCc2ccc(C#N)cc2)s1
COc1ccccc1-c1cnccc1C(=O)Nc1nnc(C#Cc2ccc(Cl)cc2)s1
COc1ccccc1-c1cnccc1C(=O)Nc1nnc(OCc2ccc(Cl)cc2)s1
COc1ccccc1-c1cnccc1C(=O)Nc1nnc(OCc2ccc(C#N)cc2)s1
C=C(C1=CN=CCC1C(=O)Nc1nnc(CCC2CC2)s1)/C(=CN=CCl)OC
CC(C)c1ccccc1[C@@H]2CCCN2C%11CC%10(CCN(c9ccc(C(=O)NS(=O)(=O)c5cc([N+](=O)[O-])c(CCC4(F)CCN(C3COC3)CC4)c6[nH]cnc56)c(Oc8cnc7[nH]ccc7c8)c9)CC%10)C%11
COc%11ccc(CN%10CCN(C8CC7(CCN(c6ccc(C(=O)NS(=O)(=O)c2cc([N+](=O)[O-])c(NC[C@@H]1CC[C@@](C)(O)CC1)c3[nH]cnc23)c(Oc5cnc4[nH]cc(F)c4c5)c6)CC7)C8)C(c9ccccc9C(C)C)C%10)cn%11
CC(C)c1ccccc1C1CN(C2CCOCC2)CCN1C1CC2(CCN(c3cc(Oc4cnc5[nH]cc(F)c5c4)c(C(=O)NS(=O)(=O)c4ccc(NC[C@H]5CC[C@](C)(O)CC5)c([N+](=O)[O-])c4)cn3)CC2)C1
COc%11ccc(CN%10CCN(C8CC7(CCN(c6cc(Oc2cnc1[nH]ccc1c2)c(C(=O)NS(=O)(=O)c4cc([N+](=O)[O-])c(NCC3CCOCC3)c5OCOc45)cn6)CC7)C8)[C@H](c9ccccc9C(C)C)C%10)cc%11
CC(C)c1ccccc1[C@@H]3CN(Cc2ccc(C(F)(F)F)cc2)CCN3C%10CC9(CCN(c8cc(Oc5cnc4[nH]ccc4c5)c(C(=O)NS(=O)(=O)c7ccc(NCC6(F)CCOCC6)c([N+](=O)[O-])c7)cc8F)CC9)C%10
CC(C)c1ccccc1[C@@H]1CN(Cc2cccc(F)c2F)CCN1C1CC2(CCN(c3cc(Oc4cnc5[nH]ccc5c4)c(C(=O)NS(=O)(=O)c4ccc(NCC5(F)CCOCC5)c([N+](=O)[O-])c4)cc3F)CC2)C1
COc1cc(CN2CCN(C3CC4(CCN(c5cc(Oc6cnc7[nH]ccc7c6)c(C(=O)NS(=O)(=O)c6ccc(NCC7(F)CCOCC7)c([N+](=O)[O-])c6)cc5F)CC4)C3)[C@H](c3ccccc3C(C)C)C2)ccc1C1CC1
CC(C)c1ccccc1[C@@H]1CN(Cc2cccc3c2OCCO3)CCN1C1CC2(CCN(c3cc(Oc4cnc5[nH]ccc5c4)c(C(=O)NS(=O)(=O)c4ccc(NCC5(F)CCOCC5)c([N+](=O)[O-])c4)cc3F)CC2)C1
CC(C)c1ccccc1[C@@H]1CN(Cc2ccccn2)CCN1C1CC2(CCN(c3cc(Oc4cnc5[nH]ccc5c4)c(C(=O)NS(=O)(=O)c4ccc(NC[C@H]5CC[C@](C)(O)CC5)c([N+](=O)[O-])c4)cc3F)CC2)C1
CC(C)c1ccccc1[C@@H]1CN(Cc2cnn(C)c2)CCN1C1CC2(CCN(c3cc(Oc4cnc5[nH]ccc5c4)c(C(=O)NS(=O)(=O)c4ccc(NC[C@H]5CC[C@](C)(O)CC5)c([N+](=O)[O-])c4)cc3F)CC2)C1
COc%10ccc(CN9CCN(C7CC6(CCN(c5cc(Oc2cnc1[nH]ccc1c2)c(C(=O)NS(=O)(=O)c4ccc(NC[C@H]3COCCO3)c([N+](=O)[O-])c4)cc5F)CC6)C7)[C@H](c8ccccc8C(C)C)C9)cc%10
COc%10ccc(CN9CCN(C7CC6(CCN(c5cc(Oc2cnc1[nH]ccc1c2)c(C(=O)NS(=O)(=O)c4ccc(NC[C@@H]3CC[C@@](C)(O)CC3)c([N+](=O)[O-])c4)cn5)CC6)C7)[C@H](c8ccccc8C(C)C)C9)cc%10
COc%10ccc(CN9CCN(C7CC6(CCN(c5cc(Oc2cnc1[nH]ccc1c2)c(C(=O)NS(=O)(=O)c4ccc(NCC3CCOCC3)c([N+](=O)[O-])c4)cn5)CC6)C7)[C@H](c8ccccc8C(C)C)C9)cc%10
COc%10ccc(CN9CCN(C7CC6(CCN(c5cc(Oc2cnc1[nH]ccc1c2)c(C(=O)NS(=O)(=O)c4ccc(NCC3(F)CCOCC3)c([N+](=O)[O-])c4)cn5)CC6)C7)[C@H](c8ccccc8C(C)C)C9)cc%10
COc%11ccc(CN%10CCN(C8CC7(CCN(c6ccc(C(=O)NS(=O)(=O)c2cc([N+](=O)[O-])c(NC[C@@H]1CC[C@@](C)(O)CC1)c3[nH]cnc23)c(Oc5cnc4[nH]ccc4c5)c6)CC7)C8)[C@H](c9ccccc9C(C)C)C%10)cc%11
COc%11ccc(CN%10CCN(C8CC7(CCN(c6ccc(C(=O)NS(=O)(=O)c2cc([N+](=O)[O-])c(NCC1(F)CCOCC1)c3[nH]cnc23)c(Oc5cnc4[nH]ccc4c5)c6)CC7)C8)[C@H](c9ccccc9C(C)C)C%10)cc%11
COc%11ccc(CN%10CCN(C8CC7(CCN(c6cc(Oc2cnc1[nH]ccc1c2)c(C(=O)NS(=O)(=O)c4cc([N+](=O)[O-])c(NC[C@@H]3CC[C@@](C)(O)CC3)c5[nH]cnc45)cc6F)CC7)C8)[C@H](c9ccccc9C(C)C)C%10)cc%11
COc%11ccc(CN%10CCN(C8CC7(CCN(c6cc(Oc2cnc1[nH]ccc1c2)c(C(=O)NS(=O)(=O)c4cc([N+](=O)[O-])c(NCC3CCOCC3)c5[nH]cnc45)cc6F)CC7)C8)[C@H](c9ccccc9C(C)C)C%10)cc%11
COc%11ccc(CN%10CCN(C8CC7(CCN(c6cc(Oc2cnc1[nH]ccc1c2)c(C(=O)NS(=O)(=O)c4cc([N+](=O)[O-])c(NCC3(F)CCOCC3)c5[nH]cnc45)cc6F)CC7)C8)[C@H](c9ccccc9C(C)C)C%10)cc%11
COc%11ccc(CN%10CCN(C8CC7(CCN(c6cc(Oc2cnc1[nH]ccc1c2)c(C(=O)NS(=O)(=O)c4cc([N+](=O)[O-])c(NC[C@@H]3CC[C@@](C)(O)CC3)c5[nH]cnc45)cn6)CC7)C8)[C@H](c9ccccc9C(C)C)C%10)cc%11
COc%11ccc(CN%10CCN(C8CC7(CCN(c6cc(Oc2cnc1[nH]ccc1c2)c(C(=O)NS(=O)(=O)c4cc([N+](=O)[O-])c(NCC3(F)CCOCC3)c5[nH]cnc45)cn6)CC7)C8)[C@H](c9ccccc9C(C)C)C%10)cc%11
COc9ccc(CN8CCN(C6CC5(CCN(c4ccc(C(=O)NS(=O)(=O)c2ccc(NC[C@@H]1CC[C@@](C)(O)CC1)c([N+](=O)[O-])c2)c(OC(C=N)Cc3cc[nH]c3)c4)CC5)C6)[C@H](c7ccccc7C(C)C)C8)cc9
O=C(Cc1ccccc1)c1ccn(C(=O)c2ccccc2F)c1
O=C(Cc1ccccc1)c1ccn(Cc2c(F)cccc2F)c1
O=C(Cc1ccncc1)c1ccn(C(=O)c2ccccc2F)c1
O=C(c1cccnc1)c1ccn(C(=O)c2ccccc2F)c1
CC(C)(CO)[C@@H](O)C(=O)n1ccc(C(=O)N2CCCC2)c1
O=C(NC1CCOCC1)c1ccn(Cc2c(F)cccc2F)c1
O=C(NC1CCCCC1)c1ccn(Cc2c(F)cccc2F)c1
CC(=O)N(C)[C@@H]1CCN(C(=O)c2ccn(Cc3c(F)cccc3F)c2)C1
O=C(c1cncc(F)c1)c1ccn(Cc2ccccc2F)c1
O=C(c1cccnc1)c1ccn(C(=O)c2ccccc2F)c1
Cn1c(C(=O)Cc2ccncc2)ccc1C(=O)c1ccccc1F
Cn1c(Cc2c(F)cccc2F)ccc1C(=O)Cc1ccccc1
Cn1c(Cc2c(F)cccc2F)ccc1C(=O)C(Cc1c(F)cccc1F)c1ccccc1
Cc1[nH]c(C(=O)C(=O)N[C@@H](C)C(F)(F)F)c(C)c1C(=O)NC2=CC(C#N)C(F)C=C2
CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C
[2H]C([2H])(c1ccccc1)[C@@H](NC(=O)c2ccccc2F)C(=O)Nc3cc(F)ccc3N%10CCN(c5cc(O)c4nc7c(oc4c5)c6NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C/O[C@@]9(C)Oc8c(C)c(O)c(c6=O)c7c8C9=O)CC%10
[2H]C([2H])(c1ccccc1)C(NC(=O)c2ccccc2F)C(=O)Nc3cc(F)ccc3N4CCC5(CC4)N=c7c(N5)c6NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C/O[C@]9(C)Oc8c(C)c(O)c(c6=O)c7c8C9=O
[2H]C([2H])(c1ccccc1)[C@@H](NC(=O)c1ccccc1F)C(=O)Nc1cc(F)ccc1N1CCN(c2ccc3nc4c5c6c7c(C)c(O)c5c(=O)c(c-4oc3c2)NC(=O)/C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C/O[C@@](C)(O7)C6=O)CC1
C[C@H]1Oc2cc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nn(C)c2C#N |r|
C[C@H]1Oc2cc(cnc2NC(=O)CN)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21
CC(=O)CCC(=O)Nc1ncc2cc1O[C@H](C)c1cc(F)ccc1C(=O)N(C)Cc1nn(C)c(C#N)c1-2
C[C@@H]1CC[C@H](CN1C(=O)c1cc(C)ccc1-n1nccn1)C#Cc1cccc(CO)c1 |r|
C[C@@H]1CC[C@H](CN1C(=O)c1cc(C)ccc1-n1nccn1)C#Cc1ccc(F)cn1 |r|
CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]3COC(O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl
CCOC(=O)CCCn1c(=O)nc2n(CCCCOC(=O)C[C@@H]3CC4C5CC[C@H](O)C5CCC4[C@@]4(C)CCC(=O)C=C34)c3ccccc3cc2c1=O |t:42|
C[C@H](Nc1cc(ccn1)-c1sc(nc1-c1ccc(F)cc1)C1CCN(C)CC1)c1ccccc1
CN(C)C(=O)C1CCN(CC1)c1nc2sc(cc2s1)C(=O)Nc1ccc2oc(C)nc2c1
Fc1ccc(nc1)-c1ccc(NC(=O)c2cc3sc(NCCN4CCOCC4)nc3s2)cc1
OC(C(O)C(O)=O)C(O)=O.CC(C)n1nc(C(=O)NC2CCN(CC(C)(C)O)CC2)c2ccccc12
Cl.CC(C)n1nc(C(=O)NC2CCN(CC(C)(C)CO)CC2)c2ccccc12
COCCCN1CC2C(CNC(=O)c3nn(C(C)C)c4ccccc34)C2C1
OC(=O)C(O)=O.CC(C)n1nc(C(=O)NCC2C3CN(CC23)C2CCOCC2)c2ccccc12
OC(=O)C(O)=O.CC(C)n1nc(C(=O)NC2C3CN(CC4CCOCC4)CC23)c2ccccc12
OC(C(O)C(O)=O)C(O)=O.CC(C)n1nc(C(=O)NC2CC3CCC(C2)N3CC2(O)CCOCC2)c2ccccc12
CC(C)N1CCC(CC1)c1nnc(o1)-c1nn(C(C)C)c2ccccc12
OC(=O)C(O)=O.CC(C)n1nc(-c2nnc(o2)C2CCN(CCc3ccccc3)CC2)c2ccccc12
CC(C)n1nc(-c2nnc(o2)C2CCN(CC3CCC3)CC2)c2ccccc12
CC(C)n1nc(-c2nnc(o2)C2CCN(CC3CC3)CC2)c2ccccc12
CC(C)n1nc(-c2nnc(o2)C2CCN(CC2)C2CCC2)c2ccccc12
OC(=O)C(O)=O.CC(C)n1nc(-c2nnc(o2)C2CCN(CCCO)CC2)c2ccccc12
COCCCN1CCC(CC1)c1nnc(o1)-c1nn(C(C)C)c2ccccc12
CC(C)n1nc(-c2nnc(o2)C2CCN(CC3CCOCC3)CC2)c2ccccc12
OC(=O)C(O)=O.CC(C)n1nc(-c2nnc(o2)C2CCN(CC3(O)CCCC3)CC2)c2ccccc12
COCCCN1CCC(CC1)c1nc(no1)-c1nn(C(C)C)c2ccccc12
COCCCN1CCC(CC1)c1noc(n1)-c1nn(C(C)C)c2ccccc12
CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)-n1ccnc1
COc1ccc(CCN(C)CCNC(=O)c2ccccc2NC(=O)c2cnc3ccccc3c2)cc1OC
COc1ccc(CN2CCN(CC2)c2ccc(NC(=O)c3ccccc3NC(=O)c3cnc4ccccc4c3)cc2)cc1OC
COc1ccc(CN2CCN(CC2)c2ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc2)cc1OC
NC(=O)c1cc(Cl)c2c(Cl)c(C3CC3)n([C@@H]3CCCNC3)c2n1 |r|
Nc1ccc(SC[C@@H]2CO[C@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Nc1ccc(SC[C@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Cc1cc(\C=C\C(=O)\C=C\c2cc(C)c(O)c(C)c2)cc(C)c1O
CC(C)c1cc(\C=C2/CC\C(=C/c3cc(C(C)C)c(O)c(c3)C(C)C)C2=O)cc(C(C)C)c1O
COc1cc(\C=C2/CC\C(=C/c3cc(OC)c(O)c(OC)c3)C2=O)cc(OC)c1O
COc1cc(\C=C2/CC\C(=C/c3ccc(O)c(OC)c3)C2=O)ccc1O
COc1cc(\C=C\C(=O)\C=C\c2cc(OC)c(O)c(OC)c2)cc(OC)c1O
CCc1cc(\C=C2/CC\C(=C/c3cc(CC)c(O)c(CC)c3)C2=O)cc(CC)c1O
Oc1ccc(\C=C2/CC\C(=C/c3ccc(O)cc3)C2=O)cc1
Cc1cc(Cl)c(OCCOc2ccc(cc2)[C@H]2CCNC[C@@H]2C(=O)N(Cc2cc(CCNC(=O)CC(F)(F)F)ccc2Cl)C2CC2)c(Cl)c1 |r|
CNC(=O)CCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r|
Cc1cc(Cl)c(OCCOc2ccc(cc2)[C@H]2CCNC[C@@H]2C(=O)N(Cc2cccc(C)c2C)C2CC2)c(Cl)c1 |r|
Cc1cc(Cl)c(OCCOc2ccc(cc2)[C@H]2CCNC[C@@H]2C(=O)N(Cc2cc(CNCCF)ccc2Cl)C2CC2)c(Cl)c1 |r|
CC(=O)NCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r|
Cc1cc(Cl)c(OCCOc2ccc(cc2)[C@H]2CCNC[C@@H]2C(=O)N(Cc2cc(CNCC(F)F)ccc2Cl)C2CC2)c(Cl)c1 |r|
CCNCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r|
CCNCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r|
Cc1cc(c(c(c1)Cl)OCCOc2ccc(cc2)[C@H]3CCNC[C@@H]3C(=O)N(Cc4cc(ccc4Cl)CCCOC)C5CC5)Cl
Cc1cc(Cl)c(OCCOc2ccc(cc2)[C@H]2CCNC[C@@H]2C(=O)N(Cc2cc(CNC(=O)CC(F)(F)F)ccc2Cl)C2CC2)c(Cl)c1 |r|
CNCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r|
CNCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r|
COC(=O)NCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r|
CCNC(=O)Cc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r|
CC(=O)NCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r|
Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C(C)(C)C |r|
Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C |r|
Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C1(C)CC1 |r|
Cc1c(sc(n1)NC(=O)N2CCC[C@H]2C(=O)N)c3ccnc(c3)C(C)(C)C(F)(F)F
Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C1(CC1)C#N |r|
CC(C)c1nccc(n1)-c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1C |r|
Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C1CCC1 |r|
CC(C)(c1cc(ccn1)-c1cnc(NC(=O)N2CCC[C@H]2C(N)=O)s1)C(F)(F)F |r|
Nc1ccc(cn1)-c1cnc(NC(=O)CN(Cc2ccccc2)C(=O)c2ccncc2)s1
Nc1ccc(cc1)-c1cnc(NC(=O)CN(Cc2ccccc2)C(=O)c2ccncc2)s1
Cc1ccc(cn1)C(=O)N(CC(=O)Nc1ncc(s1)-c1ccc(N)cc1)Cc1ccccc1
CC(=O)N1[C@@H](CC[C@@H]1c1ccccc1)C(=O)Nc1ncc(s1)-c1ccc(N)cc1 |r|
CC(C)[C@@H]1COC(=O)N1CC(=O)Nc1nc(C)c(s1)-c1ccc(N)cc1 |r|
Cc1nc(NC(=O)CN(Cc2ccccc2)C(=O)c2ccncc2)sc1-c1ccc(N)nc1
CO[C@H]1CC[C@H](CC1)C(=O)Nc1nc(C)c(s1)-c1ccc(N)nc1 |r,wU:5.8,2.1,(18.48,-29.12,;17.85,-27.71,;16.32,-27.55,;15.42,-28.8,;13.89,-28.64,;13.26,-27.23,;14.16,-25.98,;15.69,-26.14,;11.73,-27.08,;10.83,-28.32,;11.1,-25.67,;9.57,-25.52,;8.79,-24.19,;7.29,-24.51,;6.14,-23.48,;7.13,-26.04,;8.54,-26.66,;5.8,-26.81,;4.46,-26.05,;3.13,-26.82,;3.13,-28.36,;1.8,-29.13,;4.46,-29.13,;5.8,-28.36,)|
C[C@H](CC(F)(F)F)C(=O)Nc1nc(C)c(s1)-c1ccc(N)nc1 |r|
C[C@@H](CC(F)(F)F)C(=O)Nc1nc(C)c(s1)-c1ccc(N)nc1 |r|
CC(CC(F)(F)F)C(=O)Nc1nc(C)c(s1)-c1ccc(N)nc1
Cc1nc(NC(=O)Cc2nc(c(C)o2)-c2ccccc2)sc1-c1ccc(N)nc1
Cc1nc(NC(=O)C(C)(C)CC(F)(F)F)sc1-c1ccc(N)nc1
COc1ccc(cc1OC)-c1c(C)nn2c(NCCN3CCOCC3)cc(C)nc12
Cc1nc(NC(=O)[C@H]2CC[C@H](CC2)C(F)(F)F)sc1-c1ccc(N)nc1 |r,wU:7.6,10.13,(28.23,-22.96,;29.38,-23.98,;30.89,-23.66,;31.66,-24.99,;33.2,-25.14,;33.83,-26.55,;32.93,-27.8,;35.36,-26.7,;36.25,-25.45,;37.79,-25.61,;38.42,-27.02,;37.51,-28.27,;35.99,-28.11,;39.95,-27.18,;40.58,-28.59,;40.86,-25.94,;41.49,-27.18,;30.64,-26.14,;29.23,-25.51,;27.89,-26.28,;26.56,-25.52,;25.23,-26.29,;25.23,-27.83,;23.89,-28.6,;26.56,-28.6,;27.9,-27.83,)|
Cc1nc(NC(=O)C2(C)CCCCC2)sc1-c1ccc(N)nc1
CN(C)c1ccc(cc1)C(CC(N=O)c1ccncc1)c1ccccc1
Cc1cc(ccn1)C(CC(c1ccc(cc1)C(O)=O)c1ccccc1C)N=O
Cc1cc(ccn1)C(CC(c1ccc(CC(O)=O)cc1)c1ccccc1C)N=O
Cc1cc(ccn1)C(C[C@@H](c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1ccccc1C)N=O |r|
Cc1cc(ccn1)C(CC(c1ccc(cc1)-c1cccc(c1)C(O)=O)c1ccccc1C)N=O
Cc1ccccc1C(CC(N=O)c1ccncc1)c1ccc(Br)cc1
Cc1cc(ccn1)C(CC(c1ccc(Br)cc1)c1ccccc1C)N=O
Cc1ccccc1C(CC(N=O)c1ccc(=O)n(C)c1)c1ccc(Br)cc1
Cc1cncc(Cc2ccc(nc2)-c2ccccc2)c1
CCc1nc(N[C@@H]2CCC[C@@H]2C#N)c2cc[nH]c(=O)c2n1 |r|
Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1)S(C)(=O)=O
CCCCN(c1cccc(-c2ccc(cc2)C(F)(F)F)c1Cl)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C
CCCCN(c1cccc(-c2ccc(OC(F)(F)F)cc2)c1Cl)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(C)c1C
c1cc(ncc1N2CCNCC2)Nc3ncc4c5ccncc5n(c4n3)C6CCCC6
Fc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12
Clc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12
Cc1nccc2c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n(C3CCCC3)c12
C1CCC(C1)n1c2nnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12
C[C@@H](CO)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 |r|
C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12 |r,wU:4.7,wD:1.0,(47.68,-57.06,;47.21,-55.59,;48.24,-54.45,;47.78,-52.99,;46.29,-52.68,;45.25,-53.81,;45.71,-55.26,;45.82,-51.22,;46.72,-49.97,;48.26,-49.81,;48.89,-48.4,;47.98,-47.15,;46.45,-47.31,;45.82,-48.71,;44.35,-49.19,;43,-48.42,;41.68,-49.2,;41.69,-50.73,;40.36,-51.51,;40.36,-53.05,;41.7,-53.81,;41.7,-55.37,;40.36,-56.14,;39.03,-55.37,;39.03,-53.82,;40.36,-57.68,;39.02,-58.45,;39.02,-59.98,;40.35,-60.76,;41.69,-59.99,;41.7,-58.45,;43.02,-51.51,;44.34,-50.74,)|
CC1(C)CCC(CC1)n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12
CN1CCN(CC1)c1cc(C)nc(n1)N1CCC[C@H](C1)C(=O)NCCc1ccc(cc1)C#N |r|
CN1CCN(CC1)c1cc(nc(n1)N1CCC[C@H](C1)C(=O)NCCc1ccc(cc1)C#N)C(F)(F)F |r|
CN1CCN(CC1)c1nc(nc(C)c1F)N1CCC[C@H](C1)C(=O)NCCc1ccc(cc1)C#N |r|
CN1CCN(CC1)c1cc(nc(C)n1)N1CCC[C@H](C1)C(=O)NCCc1ccc(cc1)C#N |r|
CN1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CCC[C@H](C1)C(=O)NCCc1ccc(cc1)C#N |r|
FC(F)(F)c1nc(cc(n1)N1CCC[C@H](C1)C(=O)NCCc1ccc(cc1)C#N)N1CCNCC1 |r|
FC(F)(F)c1nc(cc(n1)N1CCC[C@H](C1)C(=O)NCCc1ccc(cc1)C#N)N1CCN(CC1)C1COC1 |r|
CN1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CCC[C@H](C1)C(=O)NCCc1ccc(nc1)C#N |r|
FC(F)(F)c1nc(cc(n1)N1CCC[C@H](C1)C(=O)NCCc1ccc(nc1)C#N)N1CCNCC1 |r|
CCN1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CCC[C@H](C1)C(=O)NCCc1cnc(nc1)C#N |r|
CN1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CCCC[C@H]1C(=O)NCCc1ccc(cc1)C#N |r|
CN1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CCC[C@H]1C(=O)NCCc1ccc(cc1)C#N |r|
CN1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CCC[C@@H]1C(=O)NCCc1ccc(cc1)C#N |r|
CN1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CC[C@H]1C(=O)NCCc1ccc(cc1)C#N |r|
CN1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CC[C@@H]1C(=O)NCCc1ccc(cc1)C#N |r|
CCN1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CC[C@H]1C(=O)NCCc1ccc(nc1)C#N |r|
OC(=O)[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1cc(nc(n1)C(F)(F)F)N1CC[C@H]1C(=O)NCCc1ccc(cc1)C#N |r,wU:6.9,28.32,wD:3.2,(43.64,-56.93,;44.97,-56.16,;46.31,-56.93,;44.97,-54.62,;46.31,-53.85,;46.3,-52.3,;44.97,-51.54,;43.65,-52.32,;43.64,-53.85,;44.96,-50,;43.62,-49.23,;43.62,-47.69,;44.96,-46.92,;46.29,-47.69,;46.29,-49.23,;44.96,-45.38,;46.29,-44.61,;46.29,-43.07,;44.96,-42.3,;43.63,-43.07,;43.62,-44.61,;42.29,-42.3,;40.95,-43.07,;42.29,-40.76,;40.95,-41.53,;47.63,-42.3,;48.02,-40.81,;49.51,-41.22,;49.11,-42.7,;49.87,-44.04,;49.1,-45.37,;51.41,-44.04,;52.19,-42.71,;53.73,-42.72,;54.5,-41.38,;56.04,-41.4,;56.81,-40.07,;56.04,-38.73,;54.49,-38.73,;53.73,-40.06,;56.81,-37.4,;57.58,-36.07,)|
CC(C)n1cc(-c2c(C)n(CC(O)=O)c3ccc(F)cc23)c2ccccc2c1=O |(57.2,-40.02,;55.86,-39.25,;55.86,-37.71,;54.53,-40.02,;54.52,-41.56,;53.19,-42.33,;53.19,-43.87,;54.43,-44.77,;55.89,-44.3,;53.95,-46.24,;54.86,-47.48,;56.39,-47.32,;57.02,-45.92,;57.29,-48.57,;52.41,-46.24,;51.39,-47.37,;49.89,-47.06,;49.41,-45.59,;47.9,-45.27,;50.44,-44.45,;51.94,-44.77,;51.86,-41.56,;50.54,-42.33,;49.21,-41.57,;49.2,-40.03,;50.53,-39.26,;51.86,-40.03,;53.19,-39.25,;53.19,-37.71,)|
Cc1cccc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)n1 |r|
Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)ccc1F |r|
Cc1ccc(nc1C)Nc2cc(nnc2C(=O)N)N[C@@H]3CCCC[C@@H]3N
N[C@H]1CCCC[C@H]1Nc1cc(Nc2ccc3CCCc3n2)c(nn1)C(N)=O |r|
CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2nc(CC(O)=O)cs2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C1=O)(C)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl
CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(Cc2nnn[nH]2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(Cc2noc(=O)[nH]2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(CC(=O)NS(=O)(=O)C(F)(F)F)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(=O)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(CC(=O)CO)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(CC(N)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CS(N)(=O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(=O)N2CC[C@H](C2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(=O)N2CC[C@@H](C2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ccccn2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ccccc2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2cc(ccn2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ncc(s2)C(=O)CO)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
COc1cc(OC)cc(c1)-c1nnc(o1)[C@@]1(Cc2ccccc2)OC(=O)N([C@H](C)c2ccccc2)C1=O |r|
C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nnc(o1)C1(CC1)c1ccccc1)c1ccccc1 |r|
CC1=C(C(=O)Oc2c1ccc(c2)Oc3ncccn3)Cc4ccnc(c4F)NS(=O)(=O)NC
CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1F
CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(OC(=O)N(C)C)cc3oc2=O)c1
CNS(=O)(=O)Nc1cc(Cc2c(C)c3ccc(OC(=O)N(C)C)cc3oc2=O)ccn1
Cc1c(c(c2ccccc2n1)c3ccc4c5c3nccc5CCO4)[C@@H](C(=O)O)OC(C)(C)C
COc1cc(cc(SC)c1C(=O)N[C@]1(CCCN(C)C1)c1ccccc1)C(F)(F)F |r|
CN1CCN(CC(=O)Nc2cc(nc(n2)-c2nccs2)-n2nc(C)cc2C)CC1
Cn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3)c(=O)n(Cc3ccc(nc3)C(F)(F)F)n2c1=O
Cc1nc(ccc1Cn1n2c(nn(C)c2=O)c(-c2ccc(Cl)cc2)c(-c2ccncc2)c1=O)C(F)(F)F
CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3)c(=O)n(Cc3ccc(nc3)C(F)(F)F)n2c1=O
CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3C)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O |(16.96,-15.83,;17.73,-14.5,;16.96,-13.17,;15.43,-13.01,;15.11,-11.5,;13.78,-10.73,;12.44,-11.51,;12.44,-13.05,;11.11,-13.82,;9.77,-13.05,;8.44,-13.82,;9.77,-11.51,;11.11,-10.74,;13.77,-9.2,;12.44,-8.43,;11.11,-9.2,;9.77,-8.43,;9.77,-6.89,;11.1,-6.12,;12.44,-6.89,;13.78,-5.75,;15.1,-8.42,;15.1,-6.89,;16.44,-9.19,;17.77,-8.42,;17.76,-6.87,;16.42,-6.12,;16.41,-4.58,;17.75,-3.79,;19.09,-4.55,;19.1,-6.1,;20.44,-6.86,;17.74,-2.25,;19.06,-1.47,;16.4,-1.49,;17.72,-.7,;16.44,-10.73,;17.58,-11.76,;19.09,-11.44,)|
CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(cc3)C#N)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O
CCn1nc2c(-c3ccc(Cl)cc3)c(-c3cnc(C)nc3)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O
CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3F)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O |(14.54,-16.67,;15.31,-15.33,;14.53,-14,;13,-13.84,;12.68,-12.33,;11.35,-11.56,;10.01,-12.34,;10.02,-13.88,;8.68,-14.65,;7.35,-13.89,;6.01,-14.66,;7.35,-12.34,;8.68,-11.57,;11.34,-10.03,;10.01,-9.26,;8.68,-10.03,;7.35,-9.26,;7.34,-7.72,;8.67,-6.95,;10.01,-7.72,;11.34,-6.95,;12.68,-9.26,;12.67,-7.72,;14.01,-10.02,;15.35,-9.25,;15.34,-7.71,;14,-6.95,;13.98,-5.41,;15.32,-4.62,;16.67,-5.39,;16.67,-6.93,;18.01,-7.69,;15.31,-3.08,;16.64,-2.3,;13.97,-2.32,;15.3,-1.53,;14.01,-11.57,;15.16,-12.6,;16.66,-12.27,)|
CCn1nc2c(-c3ccc(Cl)cc3)c(-c3cnn(C)c3)c(=O)n(Cc3ccc(cc3)C#N)n2c1=O
CCn1nc2c(-c3ccc(Cl)cc3)c(-c3cnc(nc3)N(C)C)c(=O)n(Cc3ccc(cc3)C#N)n2c1=O
CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
N[C@H]1CC[C@@H](CC1)Nc1ccc2ncc(-c3cnc(Nc4ncccc4F)nc3)n2n1 |r,wU:1.0,wD:4.7,(7.82,-13.28,;9.15,-14.06,;10.49,-13.3,;11.82,-14.07,;11.81,-15.62,;10.48,-16.38,;9.15,-15.6,;13.15,-16.39,;14.48,-15.62,;14.48,-14.07,;15.81,-13.3,;17.15,-14.07,;18.62,-13.59,;19.53,-14.84,;18.62,-16.1,;19.1,-17.56,;18.07,-18.7,;18.54,-20.16,;20.05,-20.48,;20.53,-21.95,;22.03,-22.27,;22.5,-23.73,;24.01,-24.05,;25.04,-22.9,;24.55,-21.43,;23.05,-21.12,;22.56,-19.66,;21.08,-19.33,;20.6,-17.87,;17.15,-15.62,;15.82,-16.39,)|
CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)-n2nc(C#N)c(=O)[nH]c2=O)n[nH]c1=O
C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)nc1)NS(=O)(=O)c1c(C)nn(C2CCCC2)c1C |r|
C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
O=C1N(CCn2ccc3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:14.16,(3.92,-9.95,;5.4,-10.4,;6.45,-9.26,;7.99,-9.38,;8.86,-10.65,;8.41,-12.12,;9.35,-13.46,;8.44,-14.72,;6.97,-14.24,;5.64,-15.01,;4.3,-14.24,;4.31,-12.7,;5.63,-11.93,;6.97,-12.69,;5.89,-7.83,;4.36,-7.6,;3.8,-6.16,;4.76,-4.96,;6.28,-5.2,;6.84,-6.62,;5.89,-5.59,;5.13,-6.93,)|
O=C1N(CCn2ncc3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:14.16,(5.44,-9.73,;6.92,-10.18,;7.97,-9.03,;9.51,-9.15,;10.38,-10.42,;9.94,-11.9,;10.88,-13.24,;9.97,-14.5,;8.49,-14.02,;7.16,-14.79,;5.83,-14.02,;5.83,-12.48,;7.16,-11.71,;8.5,-12.47,;7.41,-7.6,;5.88,-7.38,;5.32,-5.94,;6.28,-4.73,;7.8,-4.97,;8.36,-6.4,;7.41,-5.36,;6.65,-6.7,)|
Fc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2 |r,wD:15.17,(13.49,-14.18,;14.83,-13.41,;14.83,-11.87,;16.16,-11.1,;15.92,-9.57,;14.45,-9.12,;16.97,-8.43,;18.51,-8.55,;19.38,-9.82,;18.94,-11.29,;19.88,-12.64,;18.97,-13.89,;17.49,-13.41,;16.16,-14.18,;17.5,-11.87,;16.41,-6.99,;14.88,-6.77,;14.32,-5.33,;15.28,-4.13,;16.81,-4.36,;17.36,-5.79,;16.41,-4.76,;15.65,-6.09,)|
Clc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2 |r,wD:15.17,(22.97,-13.82,;24.31,-13.05,;24.31,-11.51,;25.64,-10.74,;25.4,-9.21,;23.93,-8.77,;26.45,-8.07,;27.99,-8.19,;28.86,-9.46,;28.42,-10.93,;29.36,-12.28,;28.45,-13.53,;26.97,-13.05,;25.64,-13.82,;26.98,-11.51,;25.89,-6.64,;24.36,-6.41,;23.8,-4.97,;24.76,-3.77,;26.29,-4,;26.84,-5.43,;25.89,-4.4,;25.13,-5.74,)|
COc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2 |r,wD:16.18,(1.85,-13.55,;3.19,-14.32,;4.52,-13.55,;4.52,-12.01,;5.85,-11.24,;5.61,-9.71,;4.14,-9.26,;6.67,-8.57,;8.2,-8.69,;9.08,-9.96,;8.63,-11.43,;9.57,-12.78,;8.66,-14.03,;7.19,-13.55,;5.85,-14.32,;7.19,-12.01,;6.1,-7.13,;4.57,-6.91,;4.01,-5.47,;4.98,-4.27,;6.5,-4.5,;7.06,-5.93,;6.1,-4.9,;5.34,-6.23,)|
O=C1N(CCn2c3c1cccc3[nH]c2=O)[C@@H]1CN2CCC1CC2 |r,wD:15.17,(7.11,-8.33,;8.59,-8.78,;9.64,-7.63,;11.18,-7.75,;12.05,-9.02,;11.61,-10.5,;10.17,-11.07,;8.83,-10.31,;7.5,-11.08,;7.5,-12.62,;8.83,-13.39,;10.16,-12.62,;11.64,-13.1,;12.55,-11.84,;14.09,-11.86,;9.08,-6.2,;7.55,-5.98,;6.99,-4.54,;7.95,-3.33,;9.47,-3.57,;10.03,-5,;9.08,-3.96,;8.32,-5.3,)|
Cc1[nH]cnc1CN1CCc2c(C1=O)c1ccccc1n2C
COCCn1cc(cn1)-c1c(C)nc2c(nccn12)N1CCOCC1
COc1cc2ccc(cc2cc1OC)C(O)(C(C)C)c1c[nH]cn1
COc1cc2ccc(cc2cc1OC)C(O)(C(C)C)c1cc[nH]n1
COc1cc2ccc(cc2cc1OC)C(O)(C(C)C)c1ccncc1
COc1cc2ccc(cc2cc1OC)C(O)(C(C)C)c1cnco1
COc1cc2ccc(cc2cc1OC)C(O)(C(C)C)c1cccnc1
CC(C)C(O)(c1c[nH]nn1)c1ccc2cc(OC(F)F)ccc2c1
COc1cc2ccc(cc2cc1OC)C(O)(C(C)C)c1ccncn1
CC(C)C(O)(c1c[nH]nn1)c1ccc2cc(OC(F)F)c(OC(F)F)cc2c1
CC(C)C(O)(c1c[nH]nn1)c1ccc2cc(OCC(F)(F)F)c(OCC(F)(F)F)cc2c1
COc1cc2ccc(cc2cc1OC)C(O)(C(C)C)c1cn[nH]c1
COc1cc2ccc(cc2cc1OC)C(O)(C(C)C)c1c[nH]nn1
CC(C)C(O)(c1c[nH]nn1)c1ccc2cc(ccc2c1)-c1cccs1
COc1cc2ccc(cc2cc1OC)C(O)(C(C)C)c1nc[nH]n1
CC(C)C(O)(c1c[nH]nn1)c1ccc2cc(ccc2c1)-c1cnco1
C1CN(CCO1)c1ccc(Nc2nc(cn3ccnc23)-c2ccc3cn[nH]c3c2)cc1
Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1ccc2ncnn2c1
Cl.COc1ccc(NC(=O)N2CCNC[C@@H]2COc2cccnc2)cc1 |r|
Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)O2)CC1)-c1cccs1
Cc1cc(nn1C)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(O)cc1CN1CCOCC1 |r,wU:13.17,10.10,(19.48,-15.99,;19.06,-17.47,;17.61,-18,;17.66,-19.52,;19.13,-19.96,;20,-18.69,;21.54,-18.64,;16.44,-20.46,;16.44,-22,;15.1,-19.69,;13.77,-20.46,;13.77,-22,;12.44,-22.77,;11.1,-22,;11.1,-20.46,;12.43,-19.69,;9.77,-22.77,;8.43,-22.01,;8.43,-20.47,;7.1,-22.78,;5.77,-22.02,;4.44,-22.79,;3.1,-22.02,;4.44,-24.33,;5.77,-25.1,;7.11,-24.33,;8.44,-25.1,;8.45,-26.64,;7.11,-27.41,;7.11,-28.95,;8.45,-29.72,;9.78,-28.94,;9.78,-27.4,;11.12,-29.69,;11.12,-31.24,;12.46,-32,;13.79,-31.22,;15.13,-31.98,;13.78,-29.68,;12.44,-28.92,;12.43,-27.38,;13.76,-26.6,;15.09,-27.36,;16.42,-26.58,;16.41,-25.04,;15.06,-24.28,;13.74,-25.06,)|
C[C@H]1CN(CCCc2ccc(cc2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3cc(C)n(C)n3)c2)C[C@@H](C)N1 |r,wU:32.37,29.30,47.52,1.0,(24.33,-19.69,;23,-18.93,;21.68,-19.7,;20.35,-18.93,;19.02,-19.7,;17.69,-18.94,;16.36,-19.72,;15.03,-18.96,;13.7,-19.73,;12.36,-18.97,;12.35,-17.43,;13.68,-16.65,;15.02,-17.41,;11.02,-16.66,;9.68,-17.45,;8.34,-16.67,;8.34,-15.13,;9.68,-14.37,;9.67,-12.82,;8.34,-12.05,;7,-12.83,;5.66,-12.05,;5.66,-10.5,;4.32,-9.74,;7,-9.74,;8.33,-10.5,;9.67,-9.73,;9.66,-8.18,;11,-10.49,;12.34,-9.72,;13.68,-10.49,;15.01,-9.72,;15.01,-8.18,;13.67,-7.4,;12.33,-8.18,;16.35,-7.4,;17.68,-8.18,;17.68,-9.72,;18.9,-7.23,;18.85,-5.7,;20.3,-5.18,;20.73,-3.71,;21.25,-6.4,;22.79,-6.35,;20.38,-7.67,;11.01,-15.12,;20.33,-17.4,;21.66,-16.63,;21.66,-15.09,;23,-17.39,)|
Cc1cc(nn1C)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(CCN2CCC(CC2)N2CCCC2)cc1 |r,wU:10.10,13.17,(20.81,-18.66,;20.38,-20.13,;18.93,-20.66,;18.98,-22.18,;20.46,-22.63,;21.33,-21.35,;22.87,-21.3,;17.76,-23.13,;17.76,-24.67,;16.43,-22.36,;15.08,-23.13,;15.08,-24.67,;13.75,-25.44,;12.41,-24.67,;12.4,-23.13,;13.74,-22.36,;11.08,-25.44,;9.74,-24.68,;9.73,-23.14,;8.41,-25.45,;7.07,-24.69,;5.73,-25.46,;4.4,-24.69,;5.73,-27.01,;7.07,-27.78,;8.41,-27.01,;9.75,-27.78,;9.75,-29.32,;8.41,-30.09,;8.42,-31.63,;9.75,-32.4,;11.09,-31.62,;11.08,-30.08,;12.43,-32.38,;12.43,-33.93,;13.77,-34.69,;15.1,-33.91,;16.44,-34.67,;17.77,-33.9,;19.1,-34.66,;19.1,-36.19,;20.42,-36.95,;21.75,-36.19,;21.75,-34.65,;20.41,-33.88,;23.08,-36.95,;23.24,-38.48,;24.74,-38.8,;25.51,-37.46,;24.47,-36.33,;15.09,-32.36,;13.75,-31.6,)|
Cc1cccc2nc(cn12)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(CN2CCC(CC2)N2CCCC2)cc1 |r,wU:13.14,16.21,(20.88,-1.83,;21.8,-3.06,;23.32,-2.87,;24.25,-4.11,;23.64,-5.52,;22.11,-5.7,;21.23,-6.95,;19.76,-6.49,;19.74,-4.96,;21.2,-4.46,;18.53,-7.41,;18.53,-8.95,;17.19,-6.63,;15.85,-7.41,;15.84,-8.95,;14.51,-9.72,;13.17,-8.95,;13.17,-7.41,;14.51,-6.64,;11.84,-9.72,;10.5,-8.96,;10.49,-7.41,;9.17,-9.73,;7.83,-8.97,;6.49,-9.74,;5.15,-8.97,;6.49,-11.29,;7.83,-12.06,;9.17,-11.29,;10.51,-12.06,;10.51,-13.6,;9.17,-14.37,;9.17,-15.91,;10.51,-16.69,;11.85,-15.9,;11.84,-14.36,;13.19,-16.67,;13.19,-18.21,;14.53,-18.97,;15.87,-18.2,;17.2,-18.96,;17.21,-20.5,;15.88,-21.26,;15.88,-22.79,;17.22,-23.56,;18.55,-22.79,;18.54,-21.25,;17.21,-25.09,;15.97,-25.99,;16.44,-27.46,;17.98,-27.45,;18.45,-25.99,;15.85,-16.65,;14.51,-15.89,)|
C[C@H]1CN(Cc2ccc(cc2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3cc4ccccn4n3)c2)C[C@@H](C)N1 |r,wU:30.35,27.28,47.53,1.0,(29.15,-21.92,;30.48,-21.15,;30.48,-19.62,;31.81,-18.86,;31.8,-17.32,;30.47,-16.56,;29.13,-17.33,;27.8,-16.57,;27.79,-15.03,;29.12,-14.25,;30.45,-15.01,;26.45,-14.26,;25.12,-15.05,;23.78,-14.28,;23.78,-12.73,;25.11,-11.97,;25.11,-10.42,;23.77,-9.65,;22.44,-10.43,;21.09,-9.65,;21.09,-8.1,;19.76,-7.34,;22.43,-7.34,;23.77,-8.1,;25.1,-7.32,;25.1,-5.78,;26.44,-8.09,;27.77,-7.31,;29.11,-8.09,;30.44,-7.32,;30.45,-5.78,;29.11,-5,;27.77,-5.78,;31.79,-5,;33.12,-5.78,;33.12,-7.32,;34.36,-4.86,;34.34,-3.33,;35.79,-2.83,;36.4,-1.43,;37.92,-1.24,;38.84,-2.48,;38.23,-3.89,;36.71,-4.07,;35.83,-5.32,;26.45,-12.73,;33.14,-19.6,;33.14,-21.14,;34.48,-21.91,;31.82,-21.92,)|
C[C@H]1CN(Cc2ccc(cc2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@@H]3CC[C@@H](CC3)NC(=O)c3cn4c(C)cccc4n3)c2)C[C@@H](C)N1 |r,wU:30.35,27.28,48.54,1.0,(14.61,-38.85,;15.94,-38.08,;15.93,-36.55,;17.26,-35.78,;17.25,-34.25,;15.92,-33.49,;14.59,-34.26,;13.25,-33.5,;13.24,-31.96,;14.57,-31.17,;15.91,-31.94,;11.91,-31.19,;10.57,-31.98,;9.23,-31.2,;9.23,-29.66,;10.57,-28.89,;10.56,-27.35,;9.23,-26.58,;7.89,-27.36,;6.54,-26.58,;6.55,-25.03,;5.21,-24.26,;7.88,-24.26,;9.22,-25.02,;10.55,-24.25,;10.55,-22.71,;11.89,-25.01,;13.22,-24.24,;14.57,-25.01,;15.9,-24.25,;15.9,-22.7,;14.56,-21.93,;13.22,-22.71,;17.24,-21.93,;18.58,-22.7,;18.58,-24.25,;19.81,-21.78,;19.79,-20.26,;21.25,-19.76,;21.85,-18.36,;20.93,-17.13,;23.37,-18.17,;24.29,-19.41,;23.68,-20.82,;22.16,-21,;21.28,-22.25,;11.9,-29.65,;18.59,-36.53,;18.6,-38.07,;19.93,-38.84,;17.27,-38.85,)|
[H]/N=C(\N)/c1ccc(cc1)Oc2cc(cc(c2)C(=O)NC3CCC(CC3)N)Oc4ccc(cc4)/C(=N/[H])/N
N[C@H]1CC[C@@H](CC1)C(=O)Nc1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1 |r,wU:1.0,wD:4.7,(15.95,-2.09,;15.95,-3.63,;17.28,-4.4,;17.28,-5.94,;15.95,-6.71,;14.62,-5.94,;14.62,-4.4,;15.95,-8.25,;17.28,-9.02,;14.62,-9.02,;13.28,-8.25,;13.28,-6.71,;11.95,-5.94,;11.95,-4.4,;10.61,-3.63,;10.61,-2.09,;9.28,-1.32,;7.95,-2.09,;7.95,-3.63,;9.28,-4.4,;6.61,-1.32,;5.28,-2.09,;6.61,.22,;10.61,-6.71,;10.61,-8.25,;9.28,-9.02,;7.95,-8.25,;6.61,-9.02,;5.28,-8.25,;5.28,-6.71,;6.61,-5.94,;7.95,-6.71,;3.95,-5.94,;2.61,-6.71,;3.95,-4.4,;11.95,-9.02,)|
N[C@H]1CC[C@@H](CC1)OC(=O)c1cc(Oc2ccc(cc2)C(N)=N)cc(Oc2ccc(cc2)C(N)=N)c1 |r,wU:4.7,wD:1.0,(22.46,-8.49,;21.13,-7.72,;21.13,-6.18,;19.8,-5.41,;18.46,-6.18,;18.46,-7.72,;19.8,-8.49,;17.13,-5.41,;15.8,-6.18,;15.8,-7.72,;14.46,-5.41,;14.46,-3.87,;13.13,-3.1,;13.13,-1.56,;14.46,-.79,;14.46,.75,;15.8,1.52,;17.13,.75,;17.13,-.79,;15.8,-1.56,;18.46,1.52,;19.8,.75,;18.46,3.06,;11.79,-3.87,;11.79,-5.41,;10.46,-6.18,;9.13,-5.41,;7.79,-6.18,;6.46,-5.41,;6.46,-3.87,;7.79,-3.1,;9.13,-3.87,;5.13,-3.1,;3.79,-3.87,;5.13,-1.56,;13.13,-6.18,)|
O=c1[nH]ccc2cc(Nc3n[nH]c4cccnc34)ccc12
N(c1n[nH]c2cccnc12)c1ccc2cnccc2c1
N(c1n[nH]c2cccnc12)c1ccc2c(nccc2c1)-n1cccn1
FC(F)c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12
Cn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1Cl
CSc1cc2CCN(C(=O)Nc3cccnc3)c2cc1C(F)(F)F
[H][C@@]12CC[C@@](C)(c3c1c(=O)n(Cc1ccccc1C(F)(F)F)n3C)C2(C)C |r|
[H][C@@]12CC[C@@](C)(c3c1c(=O)n(-c1ccc(F)cc1F)n3Cc1ccccc1)C2(C)C |r,wU:4.4,1.0,(19.67,-12.49,;19.67,-10.99,;20.96,-10.25,;20.96,-8.75,;19.67,-8,;19.25,-6.57,;18.38,-8.75,;18.38,-10.25,;16.95,-10.71,;16.5,-12.13,;16.08,-9.5,;14.53,-9.5,;13.77,-10.83,;12.23,-10.84,;11.45,-9.49,;9.91,-9.49,;12.23,-8.16,;13.77,-8.16,;14.55,-6.83,;16.96,-8.29,;16.48,-6.82,;17.51,-5.68,;19.01,-6,;20.04,-4.85,;19.56,-3.38,;18.04,-3.07,;17.02,-4.22,;20.53,-9.49,;22.02,-10.35,;22.02,-8.63,)|
[H][C@@]12CC[C@@](C)(c3c1c(=O)n(-c1ccccc1)n3Cc1ccccc1)C2(C)C |r|
[H][C@@]12CC[C@@](C)(c3c1c(=O)n(-c1ccccc1C(F)(F)F)n3C)C2(C)C |r,wU:4.4,1.0,(19.67,-12.49,;19.67,-10.99,;20.97,-10.25,;20.97,-8.75,;19.67,-8.01,;19.25,-6.57,;18.38,-8.75,;18.38,-10.25,;16.96,-10.72,;16.5,-12.13,;16.09,-9.5,;14.54,-9.5,;13.78,-10.84,;12.24,-10.84,;11.46,-9.5,;12.23,-8.16,;13.78,-8.16,;13.37,-6.66,;14.46,-5.57,;11.88,-6.27,;12.97,-5.16,;16.96,-8.3,;16.48,-6.83,;20.54,-9.5,;22.03,-10.35,;22.03,-8.64,)|
[H][C@@]12CC[C@@](C)(c3c1c(=O)n(-c1cc(Cl)ccc1Cl)n3C)C2(C)C |r,wU:4.4,1.0,(16.87,-14.9,;16.87,-13.4,;18.16,-12.66,;18.16,-11.16,;16.87,-10.41,;16.45,-8.98,;15.58,-11.16,;15.58,-12.66,;14.16,-13.12,;13.7,-14.54,;13.28,-11.91,;11.73,-11.9,;10.97,-13.24,;9.43,-13.25,;8.66,-14.58,;8.65,-11.9,;9.43,-10.56,;10.97,-10.57,;11.75,-9.23,;14.16,-10.7,;13.68,-9.23,;17.73,-11.9,;19.22,-12.76,;19.22,-11.04,)|
[H][C@@]12CC[C@@](C)(c3c1c(=O)n(-c1ccccc1)n3C)C2(C)C |r|
[H][C@@]12CC[C@@](C)(c3c1c(=O)n(-c1ccccc1Cl)n3C)C2(C)C |r,wU:4.4,1.0,(22.13,-16.72,;22.13,-15.22,;23.42,-14.48,;23.42,-12.98,;22.13,-12.23,;21.71,-10.79,;20.84,-12.98,;20.84,-14.48,;19.42,-14.94,;18.96,-16.36,;18.54,-13.73,;16.99,-13.72,;16.23,-12.39,;14.69,-12.38,;13.91,-13.72,;14.69,-15.07,;16.23,-15.06,;17.01,-16.4,;19.42,-12.52,;18.94,-11.05,;22.99,-13.72,;24.49,-14.58,;24.49,-12.86,)|
Cc1cc2nn(Cc3cc(ccc3Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(=O)n2cc1Cl |r|
CCN1C(=O)CN(C1=O)c1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
[H][C@@]12C(=O)CC[C@]11CC[C@@H](C)[C@@]2(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]1C)OC(=O)CSc1ccccn1 |r|
[H][C@@]12C(=O)CC[C@]11CC[C@@H](C)[C@@]2(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]1C)OC(=O)CSc1cccc(CO)c1 |r|
[H][C@@]12C(=O)CC[C@]11CC[C@@H](C)[C@@]2(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]1C)OC(=O)CSc1cncc(CO)c1 |r|
[H][C@@]12C(=O)CC[C@]11CC[C@@H](C)[C@@]2(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]1C)OC(=O)CSc1cncc(N)c1 |r|
[H][C@@]12C(=O)CC[C@]11CC[C@@H](C)[C@@]2(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]1C)OC(=O)CSc1cncc(NC(=O)CN2CCCC(O)C2)c1 |r|
[H][C@@]12C(=O)CC[C@]11CC[C@@H](C)[C@@]2(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]1C)OC(=O)CSc1cncc(NC(=O)CN2CCC(O)CC2)c1 |r|
C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CS[C@@H]4CC[C@H](C[C@H]4O)N)C
COc1ncnc(Cn2cc(C(=O)NCCF)c3ncc(C)cc23)c1C
COc1ncnc(Cn2cc(C(=O)NCCO)c3ncc(C)cc23)c1C
COc1ncnc(Cn2cc(C(=O)NCC(F)F)c3ncc(C)cc23)c1C
CN(C)c1ncnc(Cn2cc(C(=O)NCCO)c3ncc(C)cc23)c1C
Cc1cnc2c(cn(Cc3ncnc(OC(F)F)c3C)c2c1)C(=O)NCCO
COc1cnc2c(cn(Cc3ncnc(OC)c3C)c2c1)C(=O)NCCO
COc1cnc2c(cn(Cc3ncnc(N(C)C)c3C)c2c1)C(=O)NCCO
CCC(=O)N1CCc2cc(ccc12)-c1cncc2ccccc12
CC(=O)N1CCc2cc(ccc12)-c1cnccc1C
Fc1ccc2n(CCCOc3ccc(Cl)cc3)c3CCNCc3c2c1
c1ccc(cc1)C[C@H]2C[C@H](CCN2)C3=CC(=O)NO3
CC(C)(C)C[C@H]1C[C@H](CCN1)c1cc(=O)[nH]o1 |r|
O=c1cc(o[nH]1)[C@H]1CCN[C@@H](CCc2ccccc2)C1 |r|
COCCOc1ccccc1N1CCN(CC1)C(=O)[C@@]1(CCCN(C1)C(=O)c1cnccc1C(F)(F)F)Oc1ccc(cc1)C(F)(F)F |r|
COCCOc1ccccc1N1CCN(CC1)C(=O)[C@@]1(CCCN([C@@H]1CC=C)C(=O)c1cnccc1C(F)(F)F)Oc1ccc(cc1)C(F)(F)F |r|
COCCOc1ccccc1N1CCN(CC1)C(=O)[C@@]1(CCCN([C@@H]1CC(O)CO)C(=O)c1cnccc1C(F)(F)F)Oc1ccc(cc1)C(F)(F)F
COCCOc1ccccc1N1CCN(CC1)C(=O)[C@@]1(CCCN([C@@H]1CCO)C(=O)c1cnccc1C(F)(F)F)Oc1ccc(cc1)C(F)(F)F
Nc1nc2ccc(OC3CCOC3)nc2n1CC(O)c1ccc(cc1Cl)C(F)(F)F
CN1CCN(CC1)c1ccc2nc(N)n(CC(O)c3ccc(cc3Cl)C(F)(F)F)c2n1
CC(Oc1ccc2nc(N)n(CC(O)c3ccc(cc3Cl)C(F)(F)F)c2n1)C(F)(F)F
Nc1nc2ccc(cc2n1CC(O)c1ccc(cc1Cl)C(F)(F)F)C(F)(F)F
Nc1nc2cccnc2n1CC(O)c1cccc(Cl)c1Cl
Cc1noc(C)c1-c1ccc(cc1)-c1nc(C)c([C@H](OC(C)(C)C)C(O)=O)c(-c2ccc(Cl)cc2)c1C |r|
CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(Cl)c2)C2CCCCC2)CC1 |r|
COc1cc2ccnc(Oc3ccc(F)cc3)c2cc1OC
Fc1ccc(Oc2ncnc3[nH]ccc23)cc1
Fc1ccc(Oc2nccc3[nH]ccc23)c(F)c1
Fc1ccc(Oc2nccc3[nH]ccc23)cc1
CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(cc1)N1CCN(CC1)c1ccc(F)cc1
CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(cc1)N1CCC(CC1)c1ccc(F)cc1
CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(cc1)N1CCN(CC1)c1ccc(F)cc1
CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(cc1)N1CCN(CC1)c1ccc(OC(F)(F)F)cc1
CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(cc1)N1CCN(CC1)c1ccc(OC(F)(F)F)cc1
CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(cc1)N1CCC(CC1)c1ccc(F)cc1
CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(cc1)N1CCC(CC1)c1ccc(Cl)cc1
CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(cc1)N1CCC(CC1)c1ccc(Cl)cc1
CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(cc1)N1CCC(CC1)c1ccc(OC(F)(F)F)cc1
CCc1c(n2cc(ccc2n1)Cl)C(=O)NCc3ccc(cc3)N4CCC(CC4)c5ccc(cc5)OC(F)(F)F
Fc1cccc(COc2ccc3C(=O)NCCc3n2)c1
COc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1N1CCN(C)CC1
CC(C)[C@H](NC(=O)OCc1csc(n1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(Cc2cccnc2)C[C@H]1C(=O)NC(C)(C)C
CC(C)[C@H](NC(=O)OCc1csc(n1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(Cc2cccc3COCc23)C[C@H]1C(=O)NC(C)(C)C
CCc1ncc(COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CCN(Cc3ccc(OC)c(OC)c3)C[C@H]2C(=O)NC(C)(C)C)s1
CC(C)[C@H](NC(=O)OCc1csc(n1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(Cc2ccc3OCOc3c2)C[C@H]1C(=O)NC(C)(C)C
CC(C)[C@H](NC(=O)OCc1csc(n1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(Cc2cncs2)C[C@H]1C(=O)NC(C)(C)C
CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1
COc1ccc(CN2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)OCc3csc(C)n3)C(C)C)[C@@H](C2)C(=O)NC(C)(C)C)cc1OC
CCN1c2ncccc2N(C)C(=O)c2cc(CCOc3ccc(cc3C)C(O)=O)cnc12
CCN1c2ncc(CCOc3ccc(cc3C)C(O)=O)cc2C(=O)N(C)c2ccc(F)nc12
O=C(N[C@H](Cc1ccc2[nH]ncc2c1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)N1Cc2ccccc2NC1=O |r|
O=C(N[C@H](Cc1csc2ccccc12)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)N1Cc2ccccc2NC1=O |r|
Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r|
Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3cccc(F)c3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r|
Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1ccc(Cl)cc1
Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccccc1
CCOC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)c1cc(Cl)cc(Cl)c1)NC1CCC1 |r|
O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CC(=O)c1cc(ccc1O2)-c1ccncc1 |r|
O=C(NC1CCc2ccccc2CC1)N1CCC2(CC1)CC(=O)c1ccccc1O2
c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)N3CCC4(CC3)CC(=O)c5ccccc5O4
COc1cc2CCN(C(=O)Nc3cc(F)cc(c3)-c3cccnc3)c2cc1C(F)(F)F
Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F
Cc1cc2cc(ccc2o1)N=C(NC#N)N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O |r,w:10.11|
FC(F)(F)c1ccccc1-c1cccc(c1)-c1c[nH]cn1
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(C)C(F)F |r|
CC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:11|
CCOc1ccc(cn1)-c1ccc(c(CN(CC)C(=O)C2CC2)c1)-c1cc(CC([O-])=O)ccc1OC
C[C@@H](C[C@@H](CS(=O)(=O)N1CCC(CC1)OCc1ccc(Cl)cc1Cl)N(O)C=O)c1ncc(F)cn1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)cc(Br)c1C |r|
Cn1c2cc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r|
CN(C)CC(C)(C)Cn1c(CC(C)(C)C)nc2cc(\C=C\C(=O)NO)ccc12
CCCCc1nc2cc(C=CC(=O)NO)ccc2n1CCN(CC)CC
CCCCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(C)C
COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3cccc(CN(C)C)c3)ncn2)c1Cl
COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3cccc(CN4CCN(C)CC4)c3)ncn2)c1Cl
COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3ccc(CCCN(C)C)cc3)ncn2)c1Cl
CCN1CCC(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3cccc(c3)N3CCN(C)CC3)ncn2)c1Cl
COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3ccc(OCCN4CCCC4)cc3)ncn2)c1Cl
CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ncn3)N(C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl
Cc1ccc(cn1)-c1ncc(Cl)cc1-c1ccc(cc1)S(C)(=O)=O
CCCCc1ccc(NC=NO)cc1 |w:10.10|
CCc1ccc(NC=NO)cc1 |w:8.8|
CCC(C)c1ccc(NC=NO)cc1 |w:10.10|
CCCCc1ccccc1NC=NO |w:12.13|
CCCCc1ccc(C)c(NC=NO)c1 |w:12.12|
ON=CNc1ccc(Cc2ccccc2)cc1 |w:1.0|
Nn1nnc2ccccc12
CCCCc1ccc(c(c1)C)N/C=NO
Cc1ccc(NC=NO)cc1 |w:7.7|
CC(C)c1ccc(NC=NO)cc1 |w:9.9|
Cc1ccccc1NC=NO |w:9.10|
CCCCCCc1ccc(NC=NO)cc1 |w:12.12|
CC(C)(C)c1ccc(NC=NO)cc1 |w:10.10|
CCCOc1ccc(NC=NO)cc1 |w:10.10|
CNC(=O)c1ccc2cc(ccc2c1)[C@]3(CCn4c3cnc4)O
CNC(=O)c1ccc2cc(ccc2c1)C1CCn2cncc12
O[C@]1(CN2CCC1CC2)C#Cc1ccc(Oc2ccc(cc2)C(=O)NC2CCCS(=O)(=O)C2)cc1 |r,wU:1.0,wD:1.10,(7.27,-37.19,;7.29,-35.67,;7.26,-34.14,;8.58,-33.36,;10.7,-33.79,;10.73,-35.96,;8.61,-36.41,;9.9,-35.63,;9.88,-34.12,;5.98,-36.45,;4.64,-37.21,;3.3,-37.97,;1.97,-37.19,;.63,-37.95,;.62,-39.49,;-.72,-40.25,;-2.05,-39.48,;-2.04,-37.94,;-3.36,-37.16,;-4.71,-37.93,;-4.71,-39.48,;-3.38,-40.25,;-6.04,-37.15,;-6.03,-35.61,;-7.38,-37.92,;-8.71,-37.14,;-8.7,-35.6,;-10.03,-34.82,;-11.37,-35.58,;-11.38,-37.13,;-12.16,-38.46,;-12.94,-37.12,;-10.05,-37.91,;1.96,-40.27,;3.29,-39.51,)|
CN1CCC(CC1)NC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:23.25,wD:23.24,(17,-51.84,;18.33,-52.62,;19.67,-51.86,;21,-52.63,;20.98,-54.17,;19.65,-54.95,;18.32,-54.16,;22.32,-54.95,;23.66,-54.19,;23.66,-52.64,;24.99,-54.96,;26.33,-54.2,;27.66,-54.98,;27.65,-56.51,;28.98,-57.29,;30.32,-56.53,;30.33,-54.99,;31.67,-54.23,;33,-55.01,;32.99,-56.54,;31.66,-57.31,;34.33,-54.25,;35.67,-53.49,;36.98,-52.7,;36.97,-54.22,;36.96,-51.18,;38.27,-50.4,;40.4,-50.82,;40.43,-53,;38.31,-53.44,;39.6,-52.66,;39.58,-51.16,;26.32,-57.28,;24.99,-56.51,)|
CNC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:17.18,wD:17.17,(18.36,-56.75,;19.7,-57.53,;21.04,-56.76,;21.04,-55.22,;22.37,-57.54,;23.71,-56.78,;25.04,-57.55,;25.03,-59.09,;26.36,-59.87,;27.7,-59.11,;27.71,-57.56,;29.05,-56.8,;30.38,-57.59,;30.37,-59.12,;29.04,-59.88,;31.72,-56.83,;33.06,-56.07,;34.37,-55.28,;34.35,-56.8,;34.34,-53.75,;35.66,-52.97,;37.78,-53.4,;37.82,-55.58,;35.69,-56.02,;36.98,-55.24,;36.97,-53.74,;23.7,-59.86,;22.37,-59.09,)|
O[C@]1(CN2CCC1CC2)C#Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncn2)cc1 |r,wU:1.0,wD:1.10,(4.69,-4.9,;3.94,-6.24,;5.47,-6.23,;6.25,-7.56,;5.48,-8.9,;3.94,-8.9,;3.17,-7.57,;4.49,-6.79,;4.89,-8.27,;3.17,-4.9,;2.4,-3.58,;1.62,-2.24,;.08,-2.24,;-.69,-.91,;.09,.42,;-.68,1.76,;-2.23,1.76,;-2.99,.43,;-4.53,.43,;-5.3,1.76,;-4.54,3.09,;-2.99,3.09,;-6.84,1.75,;-7.61,3.08,;-7.61,.41,;-9.15,.41,;-9.92,1.74,;-9.15,3.08,;-9.92,4.41,;-11.47,4.4,;-12.25,3.06,;-11.47,1.73,;1.62,.43,;2.39,-.9,)|
C[C@H](CNCCc1ccc2ncoc2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |THB:27:29:34.35:31.32|
C[C@H](CNCCc1cnc2nc[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,THB:27:29:33.32:35.36,(14.69,-8.66,;14.69,-10.42,;16.2,-11.29,;17.73,-10.42,;19.25,-11.29,;20.77,-10.42,;22.27,-11.29,;22.18,-13.04,;23.65,-14,;25.22,-13.19,;26.85,-13.81,;27.95,-12.43,;26.98,-10.97,;25.3,-11.44,;23.82,-10.5,;13.19,-11.29,;13.2,-12.83,;11.88,-13.6,;10.55,-12.83,;9.25,-13.62,;7.92,-12.88,;7.89,-11.34,;9.22,-10.57,;10.55,-11.32,;6.57,-10.57,;5.48,-9.49,;7.34,-9.24,;5.26,-11.36,;5.27,-12.88,;3.94,-10.6,;4.06,-9.03,;2,-9.01,;1.36,-7.95,;1.04,-9.25,;1.83,-10.57,;.73,-12.4,;.78,-10.76,;14.53,-13.57,;14.53,-15.11,;15.88,-15.86,;15.88,-17.4,;17.19,-15.09,;17.18,-13.55,;18.5,-12.75,;15.83,-12.8,)|
C[C@H](CNCCc1ccc2nc(C)[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |TLB:28:30:32.33:36.35|
C[C@H](CNCCc1ccc2nc[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,THB:27:29:33.32:35.36,(8.9,-1.99,;9.93,-3.13,;11.43,-2.8,;11.9,-1.33,;13.39,-1.01,;13.88,.46,;15.37,.78,;16.4,-.36,;17.9,-.03,;18.38,1.44,;19.77,2.06,;19.61,3.58,;18.1,3.9,;17.34,2.58,;15.84,2.25,;9.46,-4.59,;10.36,-5.84,;9.46,-7.08,;7.99,-6.6,;6.67,-7.36,;5.34,-6.6,;5.34,-5.06,;6.67,-4.29,;7.99,-5.06,;3.99,-4.29,;2.65,-3.52,;4.76,-2.96,;3.22,-5.64,;3.99,-6.97,;1.68,-5.64,;.92,-4.31,;-.42,-5.1,;-1.76,-4.33,;-1.35,-5.82,;-.02,-6.59,;-.02,-8.13,;-.79,-6.81,;11.88,-6.01,;12.51,-7.41,;14.05,-7.57,;14.67,-8.99,;14.95,-6.32,;14.33,-4.92,;15.23,-3.66,;12.79,-4.76,)|
C[C@H](CNCCc1ccc2nn[nH]c2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,(13.54,-2.59,;13.54,-4.34,;15.05,-5.22,;16.55,-4.34,;18.06,-5.22,;19.59,-4.34,;21.08,-5.22,;21.11,-6.97,;22.62,-7.82,;24.1,-6.94,;25.76,-7.47,;26.77,-6.07,;25.77,-4.67,;24.1,-5.22,;22.59,-4.34,;12.03,-5.22,;12.04,-6.73,;10.73,-7.52,;9.41,-6.75,;8.1,-7.53,;6.78,-6.79,;6.76,-5.25,;8.07,-4.48,;9.4,-5.22,;5.44,-4.5,;6.19,-3.16,;4.34,-3.41,;4.11,-5.28,;4.14,-6.8,;2.79,-4.53,;3.71,-3.24,;1.94,-2.18,;1.94,-.95,;1.01,-1.89,;1.01,-3.44,;-.86,-4.43,;.01,-3.05,;13.37,-7.49,;14.67,-6.71,;16,-7.45,;17.32,-6.67,;16.02,-8.98,;14.7,-9.77,;14.72,-11.29,;13.38,-9.01,)|
C[C@H](CNCCc1cccc2cnccc12)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1 |THB:28:30:35.36:32.33|
C[C@H](CNCCc1ccc2nsnc2c1)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,(14.68,-8.52,;14.68,-10.28,;16.19,-11.15,;17.72,-10.28,;19.23,-11.15,;20.75,-10.28,;22.26,-11.17,;22.27,-12.92,;23.78,-13.78,;25.28,-12.89,;26.94,-13.43,;27.96,-12.03,;26.94,-10.61,;25.28,-11.15,;23.77,-10.28,;13.18,-11.15,;13.19,-12.69,;11.87,-13.46,;10.54,-12.69,;9.24,-13.48,;7.91,-12.73,;7.89,-11.2,;9.21,-10.43,;10.54,-11.18,;6.56,-10.43,;5.47,-9.35,;7.33,-9.1,;5.25,-11.22,;5.26,-12.74,;3.93,-10.46,;4.7,-9.1,;2.85,-8.22,;1.01,-9.29,;.27,-10.75,;2.03,-9.56,;1.87,-8.02,;2.71,-6.99,;14.52,-13.43,;15.82,-12.66,;17.16,-13.41,;18.49,-12.61,;17.17,-14.94,;15.86,-15.71,;15.87,-17.25,;14.52,-14.97,)|
C[C@H](CNCCc1ccc2nc([nH]c2c1)C(F)(F)F)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1 |wD:1.0,(4.55,1.53,;4.55,-.22,;6.06,-1.1,;7.58,-.22,;9.09,-1.1,;10.62,-.22,;12.11,-1.12,;12.14,-2.88,;13.65,-3.73,;15.14,-2.85,;16.8,-3.38,;17.82,-1.97,;16.81,-.57,;15.14,-1.1,;13.63,-.22,;19.57,-1.97,;21.51,-1.91,;19.54,-3.57,;19.54,.02,;3.04,-1.1,;3.05,-2.64,;1.73,-3.41,;.41,-2.64,;-.9,-3.43,;-2.23,-2.69,;-2.25,-1.15,;-.93,-.38,;.4,-1.12,;-3.58,-.38,;-2.81,.95,;-4.67,.71,;-4.9,-1.15,;-4.88,-2.69,;-6.23,-.41,;-5.31,.87,;-7.08,1.93,;-7.08,3.18,;-8.02,2.22,;-8.02,.68,;-9.89,-.33,;-9.02,1.05,;4.38,-3.38,;5.69,-2.61,;7.02,-3.35,;8.34,-2.56,;7.04,-4.89,;5.72,-5.66,;5.73,-7.2,;4.39,-4.92,)|
CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |@:19,@@:9|
CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)C(C)(C)c1cc2cnccc2o1
CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1
CN(C)C(=O)CN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1
CCN(CC)CCCN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1
CN(C)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1
CN(C)CCCN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1
Cn1cc(Cc2cn(CC(=O)N(CCN)Cc3ccc(cc3)-c3ccc(Cl)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1
CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1
Cn1cc(Cc2cn(CC(=O)N(CCN3CCCC3)Cc3ccc(cc3)-c3ccc(Cl)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1
Cn1cc(Cc2cn(CC(=O)N(CCN3CCCCC3)Cc3ccc(cc3)-c3ccc(cc3)C(F)(F)F)c(SCc3ccc(F)cc3)nc2=O)cn1
CN(C)CCN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1
Cn1cc(Cc2cn(CC(=O)N(CC(O)=O)Cc3ccc(cc3)-c3ccc(cc3)C(F)(F)F)c(SCc3ccc(F)cc3)nc2=O)cn1
Cn1cc(Cc2cn(CC(=O)N(CCO)Cc3ccc(cc3)-c3ccc(Cl)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1
CN1CCN(CCCN(Cc2ccc(cc2)-c2ccc(Cl)cc2)C(=O)Cn2cc(Cc3cnn(C)c3)c(=O)nc2SCc2ccc(F)cc2)CC1
COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)NCCc1ccncc1
COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)Nc1ccc2CCN(C)Cc2c1
COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)Nc1ccc(CN(C)C)cc1
COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)NCCC1CCNCC1
O=C(NCc1cccc(c1)C(=O)Nc1ccc2CCNCc2c1)Nc1ccc(cc1)C#N
COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)NCCC1CCCNC1
C[C@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(C)(C)C |r|
CS(=O)(=O)N(c1ccccc1)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)C1CCCC1 |r|
Clc1ccc(cc1)-c1ccc(o1)C(=O)N(Cc1ccccn1)c1ccc(cc1)N1CCNCC1
Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(F)c2)cc1
CNC(=O)c1nc(cnc1N)-c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(F)c1F
CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ncc(F)cn1)c1cc(cs1)-c1cccc(c1)C#N |r,c:3|
C\C(CC[C@@H](O)C(C)(C)O)=C/COc1c2ccoc2cc2oc(=O)ccc12 |r|
CC1(C=Cc2c(ccc3c2OC[C@H](C3)c4ccc(cc4O)O)O1)C
COc1ccc(CCNCCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
COc1cc(ccc1O)[C@H]1Oc2cc(ccc2O[C@@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O |r|
CC(=O)O[C@@H]1[C@@H](Sc2ccccc2N(C1=O)CCN(C)C)c3ccc(cc3)OC
CC\C(=C(/c1ccccc1)c1ccc(OCCN)cc1)c1ccccc1
[H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2cc3OCOc3cc12
CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)Cc1ccccc1 |r|
CC(C)[C@](CCCN(C)CCc1ccc(c(c1)OC)OC)(C#N)c2ccc(c(c2)OC)OC
Cc1c(cccc1O)C(=O)N[C@@H](CSc2ccccc2)[C@@H](C[N@@]3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O
CC(C)[C@@](CCCN(C)CCc1ccc(c(c1)OC)OC)(C#N)c2ccc(c(c2)OC)OC
CC(C)C[C@@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C=O
CCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1
OCCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1
CN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1
CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(n2)C2(CCC2)NC(C)=O)c(C)c1 |r|
O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)N1CCc2c1cccc2-c1cccnc1
Fc1ccc2N(CCc2c1)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)N1CCc2c1cccc2-c1ccncc1
CC1CN(C(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c2ccccc12
CC1(C)CN(C(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c2ccccc12
C[C@H]1Cc2ccccc2N1C(=O)CC3=NC(=CC(=O)N3)N4CCOCC4
Cn1c(CC(=O)N2CCc3ccccc23)nc(cc1=O)N1CCOCC1
C[C@@H]1Cc2ccccc2N1C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 |r|
Clc1ccc2N(CCc2c1)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
Fc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)N1CCc2ccccc12
FC(F)(F)c1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
FC(F)(F)Oc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)N1CCc2c1cccc2-c1ccccc1
O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)N1CCc2c1cccc2-c1ccccn1
Clc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
Brc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
COc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
Fc1ccc2n(C3CCN(CCN4CCCc5ccccc5C4=O)CC3)c(=O)[nH]c2c1
CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1cc(C)c(=O)nc1SCc1ccc(F)cc1
CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1cc(SC)c(=O)nc1SCc1ccc(F)cc1
CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1c(SCc2ccc(F)cc2)nc(=O)c2CCCCc12
CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1c(SCc2ccc(F)cc2)nc(=O)c2CCCCc12
CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1c(C)c(C)c(=O)nc1SCc1ccc(F)cc1
CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1cc(C)c(=O)nc1SCc1ccc(F)cc1
CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1c(C)cc(=O)nc1SCc1ccc(F)cc1
CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1cc(Br)c(=O)nc1SCc1ccc(F)cc1
CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1cc(CC)c(=O)nc1SCc1ccc(F)cc1
CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1cc(Cl)c(=O)nc1SCc1ccc(F)cc1
CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1c2CCCc2c(=O)nc1SCc1ccc(F)cc1
CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1c2CCCc2c(=O)nc1SCc1ccc(F)cc1
CCCc1cn(CC(=O)N(CCN(CC)CC)Cc2ccc(cc2)-c2ccc(cc2)C(F)(F)F)c(SCc2ccc(F)cc2)nc1=O
CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1cc(CC)c(=O)nc1SCc1ccc(F)cc1
COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1c[nH]c(n1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r|
Cl.COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1c1ncc([nH]1)C#CC#Cc1ccc(cc1)-c1cnc([nH]1)[C@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r|
Fc1cc(c(F)cc1OC[C@H]1CNCC[C@@H]1c1ccc(Cl)cc1)S(=O)(=O)Nc1ncns1 |r|
CN1CC[C@@H]([C@@H](COc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)C1)c1ccc(Cl)cc1 |r|
Fc1cnc(NS(=O)(=O)c2cc(F)c(OC[C@H]3CNCC[C@@H]3c3ccc(Cl)cc3)cc2F)nc1 |r|
[H][C@@]12COc3cc(ccc3N1C(=O)O[C@H]2CNC(=O)c1ccc(Cl)s1)N1CCOCC1=O |r|
OCCONC(=O)c1ccn2cncc2c1Nc1ccc(I)cc1F
c1cc(c(cc1I)F)Nc2c(ccc3n2cnc3)C(=O)NOCCO
OCCONC(=O)c1ccc2cnsc2c1Nc1ccc(I)cc1F
OCCONC(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F
c1ccc(c(c1)C2CCN(CC2)C(=O)Nc3ccccc3C(=O)O)C(F)(F)F
[H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)Nc1ccccc1C(O)=O)c1ccccc1C(F)(F)F |r|
[H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)Nc1ccc(F)cc1C(O)=O)c1ccccc1C(F)(F)F |r|
[H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)Nc1ccc(OC)cc1C(O)=O)c1ccccc1C(F)(F)F |r|
[H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)Nc1ccc(Cl)cc1C(O)=O)c1ccccc1C(F)(F)F |r|
[H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)Nc1ccc(cc1C(O)=O)S(C)(=O)=O)c1ccccc1C(F)(F)F |r|
[H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)Nc1ncccc1C(O)=O)c1ccccc1C(F)(F)F |r|
[H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)Nc1ccncc1C(O)=O)c1ccccc1C(F)(F)F |r|
[H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)Nc1cc(C)ncc1C(O)=O)c1ccccc1C(F)(F)F |r|
[H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)Nc1cnncc1C(O)=O)c1ccccc1C(F)(F)F |r|
C(N(C1CNC1)c1ccccc1)c1ccc2ccccc2c1
Clc1ccc(CN(C2CC2)C2CNC2)cc1Cl
Clc1cccc(CN(CC2CNC2)c2ccccc2)c1Cl
CC(C)N(CC1CNC1)Cc1ccc(Cl)c(Cl)c1
CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3
Clc1ccc(CN(C2CNC2)C2CCCCC2)cc1
Fc1ccccc1N(Cc1ccc(Cl)cc1)C1CNC1
Clc1cccc(c1)N(Cc1ccc2ccccc2c1)C1CNC1
Clc1ccccc1CN(CC1CNC1)c1ccccc1
CCCCOc1cncc(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12
C(Cc1ccccc1)[C@@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 |r|
Clc1ccc(CN2CCO[C@H](CCc3ccccc3)C2)cc1 |r|
COc1ccc(CNC(=O)c2cc(ncc2-c2nccs2)-c2cncc(C)c2)nc1OC
COc1ccc(CNC(=O)c2cc(ncc2-c2ccccc2)-c2cncc(C)c2)nc1OC
COc1ccc(CNC(=O)c2cc(cnc2-c2ccccn2)-c2cncc(Cl)c2)nc1OC
C[C@H]1C[C@@H](Nc2ccccc2)c2cc(ccc2N1C(C)=O)-c1ccc(CN2CCCCC2)cc1 |r|
C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r|
[H][C@@]1([C@@H](C)CN2CCN(CCOC)CC2)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H](CC)NC(=O)[C@]([H])([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC1=O)C(C)C |r|
Oc1nc(SCc2ccc(Cl)cc2)nc2CCCc12
Cc1ccc(cc1)CSC2=NC3=C(CCC3)C(=O)N2
COC(=O)c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1
CN1c2ccc(cc2C(=O)N(C1=O)Cc3ccc(cc3)C(=O)O)C#CCc4ccccc4
Cc1cc(ccc1F)CNC(=O)c2cc(ncn2)C(=O)NCc3ccc(c(c3)C)F
CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccccc1
O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
Cn1c(c(C2CCCC2)c2ccc(cc12)C(=O)NC1(CCC1)C(=O)Nc1ccc(\C=C\C(O)=O)cc1)-c1ccccn1
CCOc1cc(NC(=O)C2(CCC2)NC(=O)c2ccc3c(C4CCCC4)c(-c4ncc(Cl)cn4)n(C)c3c2)ccc1\C=C\C(O)=O
CCCCOc1ccc(cc1)-c1ccccn1
CCCCOc1ccc(cc1)-c1ccncc1
CCCCOc1ccc(cc1)-c1cc[nH]n1
CCCCOc1ccc(cc1)-n1ccnc1C
CCCCOc1ccc(cc1)-n1ccnc1
CCCCOc1ccc(NC=NO)cc1 |w:11.11|
CCCCOc1ccc(cc1)-c1cc(C)no1
CCCCOc1ccc(cc1)-c1c[nH]cn1
CCCCOc1ccccc1-c1ccno1
CCCCOc1ccc(cc1)-c1cc(C)[nH]n1
CCCCOc1ccc(cc1)-c1ccno1
CCCCOc1ccc(cc1)-c1nnn[nH]1
CCCCOc1ccc(cc1)-c1cc[nH]c1
CCCCOc1ccc(cc1)-c1cccnc1
CCCCOc1ccc(cc1)-c1ncc[nH]1
CCCCOc1ccc(cc1)-c1ccon1
CCCCOc1ccc(cc1)-n1cnc(C)c1
CCCCOc1ccc(cc1)-c1cnco1
CCCCOc1ccc(cc1)-c1ccns1
CCCCOc1ccc(cc1)-c1cnccn1
CCCCOc1ccc(cc1)-c1oncc1C
CCCCOc1ccc(cc1)-n1cncc1C
CCCCOc1ccc(cc1)-c1cc[n+](C)[nH]1
CCCCOc1ccc(cc1)-c1ccncn1
CCCCOc1ccc(cc1)-c1ccnn1C
CCCCOc1cccc(c1)-c1ccno1
CCCCOc1ccc(cc1)-n1cncn1
CCCCOc1ccc(cc1)-c1n[nH]cc1C
CN(C)C\C=C(/F)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
CCOc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN(C)C
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN1CCCCC1
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN(C)C
CCN1CCC[C@H]1CNC(=O)c1cn(C2CCCC2)c(=O)c2n(C)c3ccccc3c12 |r|
CC(C)N1CCC[C@H]1CNC(=O)c1cn(C2CCCC2)c(=O)c2n(C)c3ccccc3c12 |r|
CC(C)(C)c1cc(c(cc1NC(=O)C2=CNc3ccccc3C2=O)O)C(C)(C)C
C[C@@]1(CCC[C@H]1Nc2c3cccn3ncc2C(=O)N)F
COc1nc(Nc2cccc3n(C)c(nc23)-c2ccc(F)cc2)ccc1-n1cnc(C)c1
COc1nc(ccc1-n1cnc(C)c1)-c1nc(Nc2cc(ccc2F)C(F)(F)F)n(C)n1
C(COc1ccc(cc1)-n1ccnc1)Cc1ccccn1
CN(C)CCCOc1ccc(cc1)-n1ccnc1
CCCCCCOc1ccc(cn1)-n1ccnc1
CCOC(=O)N1CCN(CCOc2ccc(cc2)-n2ccnc2)CC1
C(COc1ccc(cc1)-n1ccnc1)Cc1ccncc1
CN(C)CCCCCCOc1ccc(cc1)-n1ccnc1
C(COc1ccc(cc1)-n1ccnc1)Cc1cccnc1
C(Oc1ccc(cc1)-n1ccnc1)c1ccccn1
CN(C)CCOc1ccc(cc1)-n1ccnc1
C(CN1CCOCC1)Oc1ccc(cc1)-n1ccnc1
COc1ccc(cn1)-c1nc(CS(=O)(=O)c2cccc(Cl)c2)nc2ccsc12
Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4ccc(cc4)-c4ccccc4)CC3)ccc2s1
CCn1c2ccccc2c2cc(NC(=O)CN3CCN(C[C@@H](O)COc4ccc5sc(C)nc5c4)CC3)ccc12
Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4cccc(c4)-c4ccccc4)CC3)ccc2s1
Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4c(C)cccc4C)CC3)ccc2s1
[O-][N+](=O)c1cccc2n(CCc3ccccc3)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1
Cn1c2ccnc(N3CCOCC3)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
NC(=O)c1cccc2n(Cc3ccncc3)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1
CNc1nccc2n(C)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1
Cn1c2cccc(C(N)=O)c2c2nc(CN3CCOCC3)nc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
[O-][N+](=O)c1ccc2[nH]c3c(ncnc3c2c1)N1CCN(CCc2ccc(F)c(F)c2)CC1
CN(C)c1nccc2n(C)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1
NC(=O)c1cccc2[nH]c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1
COCc1nc(N2CCN(CCc3ccc(F)c(F)c3)CC2)c2n(C)c3ccnc(Cl)c3c2n1
CC(C)Oc1nccc2n(C)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1
[O-][N+](=O)c1cccc2[nH]c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1
[O-][N+](=O)c1ccc2[nH]c3c(nc(CN4CCOCC4)nc3c2c1)N1CCN(CCc2ccc(F)c(F)c2)CC1
COc1nccc2n(C)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1
COC(=O)c1ccc2[nH]c3c(ncnc3c2c1)N1CCN(CCc2ccc(F)c(F)c2)CC1
Cc1cccc2[nH]c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1
Cn1c2ccnc(Cl)c2c2nc(CN3CCOCC3)nc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
Cn1c2ccncc2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
Cn1c2nccc(C(N)=O)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
Cn1c2cccc(C(N)=O)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
[O-][N+](=O)c1cccc2n(Cc3cccnc3)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1
[O-][N+](=O)c1cc([N+]([O-])=O)c2[nH]c3c(nc(CN4CCOCC4)nc3c2c1)N1CCN(CCc2ccc(F)c(F)c2)CC1
Cn1c2ccnc(Cl)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
Cc1cc(C#N)c2c(n1)n(C)c1c(ncnc21)N1CCN(CCc2ccc(F)c(F)c2)CC1
Cn1c2nccc(C(N)=O)c2c2nc(CN3CCOCC3)nc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
Cn1c2cccnc2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
Cn1c2cccc([N+]([O-])=O)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
Cc1nccc2n(C)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1
[O-][N+](=O)c1cccc2n(Cc3ccncc3)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1
CCOC(=O)Cn1c2ccc(cc2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12)[N+]([O-])=O
Cn1c2ccnc(NCc3ccccn3)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
COc1ccc2c3ncnc(N4CCN(CCc5ccc(F)c(F)c5)CC4)c3[nH]c2c1[N+]([O-])=O
COc1ccc2c(c1)[nH]c1c(ncnc21)N1CCN(CCc2ccc(F)c(F)c2)CC1
Cc1cc(C(N)=O)c2c(n1)n(C)c1c(ncnc21)N1CCN(CCc2ccc(F)c(F)c2)CC1
COc1cc2c(cc1OC)C(=O)[C@@H](C2)CC3CCN(CC3)Cc4ccccc4
CN(C)CCn1c(CC(C)(C)C)nc2cc(ccc12)S(=O)(=O)C1CN(CCO)C1
OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 |r|
Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F
Cc1c(CC(O)(CC(C)(C)c2cc(F)ccc2C)C(F)(F)F)[nH]c2cnccc12
Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2c(C)cncc2[nH]1)C(F)(F)F
Cc1cc2cc(CC(O)(CC(C)(C)c3cc(F)ccc3C)C(F)(F)F)[nH]c2cn1
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(C)nc(C)c2[nH]1)C(F)(F)F
Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)-c1ccccc1)C(F)(F)F
Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(N)ncc2[nH]1)C(F)(F)F
CN(C)c1cc2cc(CC(O)(CC(C)(C)c3cc(F)ccc3C)C(F)(F)F)[nH]c2cn1
CC(C)Oc1cc2cc(CC(O)(CC(C)(C)c3cc(F)ccc3C)C(F)(F)F)[nH]c2cn1
Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F
Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)C(N)=O)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F
CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1ccccc1
CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1cccc(F)c1
CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1ccc(F)cc1
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F
CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1cccc(O)c1
CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1ccccc1C(N)=O
CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1ccccc1S(C)(=O)=O
CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1ccccc1S(N)(=O)=O
CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1cccc(c1)C(N)=O
CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1cccc(c1)S(C)(=O)=O
CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1cccc(c1)S(N)(=O)=O
CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F)c1ccccc1C(N)=O
CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F)c1ccccc1S(C)(=O)=O
CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F)c1ccccc1S(N)(=O)=O
CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F)c1ccc(F)cc1C(N)=O
CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F)c1ccc(Cl)cc1C(N)=O
Cc1ccc(c(c1)C(N)=O)C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F
CCS(=O)(=O)c1cc2cc(CC(O)(CC(C)(C)c3ccccc3C(N)=O)C(F)(F)F)[nH]c2cn1
CCS(=O)(=O)c1cc2cc(CC(O)(CC(C)(C)c3ccc(F)cc3C(N)=O)C(F)(F)F)[nH]c2cn1
CC(C)S(=O)(=O)c1cc2cc(CC(O)(CC(C)(C)c3ccc(F)cc3C(N)=O)C(F)(F)F)[nH]c2cn1
CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F)c1cccc2CCS(=O)(=O)c12
CCS(=O)(=O)c1cc2cc(C[C@](O)(CC(C)(C)c3ccccc3C(N)=O)C(F)(F)F)[nH]c2cn1 |r|
CCS(=O)(=O)c1cc2cc(C[C@](O)(CC(C)(C)c3ccc(F)cc3C(N)=O)C(F)(F)F)[nH]c2cn1 |r|
CC(C)Oc1ccc(COc2ccc3n4CC[C@H](CC(O)=O)c4c(Cl)c3c2)cc1C(F)(F)F |r|
CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2c2ccc(cc2)C(F)(F)F)no1 |r|
CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2c2ccc(Cl)cc2)no1 |r|
CC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(cc2)C(F)(F)F)on1 |r|
CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCS(=O)(=O)CC2)no1 |r|
C[C@H](n1cnc2c(nc(cc12)-c1cncc2[nH]ccc12)N1CCOC[C@H]1C)S(C)(=O)=O |r|
C[C@@H]1COCCN1c1nc(cc2n(C)cnc12)-c1nncc2[nH]ccc12 |r|
Nc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1
Nc1n[nH]c2nc(cnc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
COc1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1cnc2c(C)n[nH]c2n1
C[C@@H](N1Cc2cncn2C(C[C@H](O)c2ccccc2)S1(=O)=O)c1ccc(Cl)cc1 |r|
O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3cccnc3)n[nH]c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN(C)C)cc5)n[nH]c4c3)c2c1 |r|
O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccc(CN4CCOCC4)cc3)n[nH]c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCOCC6)cc5)n[nH]c4c3)c2c1 |r|
Fc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCOCC6)cc5)n[nH]c4c3)c2c1 |r|
CN1CCN(Cc2ccc(\C=C\c3n[nH]c4cc(ccc34)[C@@H]3C[C@@]33C(=O)Nc4ccccc34)cc2)CC1 |r|
O=C1Nc2ccccc2\C1=C/c1ccc2c(\C=C\c3ccncc3)n[nH]c2c1
CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(\C=C4\C(=O)Nc5ccccc45)ccc23)cc1
COc1ccc2NC(=O)\C(=C\c3ccc4c(\C=C\c5ccc(nc5)N5CCN(C)CC5)n[nH]c4c3)c2c1
O=C1Nc2ccccc2\C1=C\c1ccc2cn[nH]c2c1
O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2cn[nH]c2c1 |r|
O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccncc3)n[nH]c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(nc5)N5CCN(C)CC5)n[nH]c4c3)c2c1 |r|
CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cc1 |r|
Cc1cc(C)nc(O[C@H](C(O)=O)[C@]2(NCC(=O)N(Cc3c(F)cc(F)cc3F)c3ccccc23)c2cccc(c2)-c2ccccc2)n1
CCCCc1cccc(c1)[C@@]1(NCC(=O)N(Cc2c(F)cc(F)cc2F)c2ccccc12)[C@H](Oc1nc(C)cc(C)n1)C(O)=O
CN1c2ccccc2[C@](NCC1=O)([C@H](Oc1nc(C)cc(C)n1)C(O)=O)c1ccccc1
Cc1cc(C)nc(O[C@H](C(O)=O)[C@]2(NCC(=O)N(Cc3c(F)cc(F)cc3F)c3ccccc23)c2ccccc2)n1
Cc1cc(C)cc(O[C@H](C(O)=O)[C@]2(NCC(=O)N(Cc3c(F)cc(F)cc3F)c3ccccc23)c2ccccc2)c1
OC[C@@H](O)Cc1cc(cc(c1)C1(CC1)C#N)-c1ccnc2[nH]nc(c12)C(F)(F)F |r|
OC[C@H](O)Cc1cc(cc(c1)C1(CC1)C#N)-c1ccnc2[nH]nc(c12)C(F)(F)F |r|
CS(=O)(=O)NCCc1cc(cc(c1)C1(CC1)C#N)-c1ccnc2[nH]nc(c12)C(F)(F)F
CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@@H]3CO[C@](Cn4cncn4)(C3)c3ccc(F)cc3F)cc2)c1=O |r|
C[C@@H](c1ncncc1F)[C@](O)(Cn1cnnc1)c1ccc(F)cc1F |r|
C[C@@H](c1ncncc1F)[C@](O)(Cn1ccnn1)c1ccc(F)cc1F |r|
C[C@@H](c1ncncc1F)[C@](O)(Cn1cnnn1)c1ccc(F)cc1F |r|
C[C@@H](c1ncncc1F)[C@](O)(Cn1ccnc1)c1ccc(F)cc1F |r|
C[C@@H](c1ncncc1F)[C@](O)(Cn1ncnn1)c1ccc(F)cc1F |r|
OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccccn1
OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(Cl)cn1
OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(OCC(F)(F)F)cn1
OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(F)cc1
O[C@@](Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(Cl)cc1 |r|
O[C@@](Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(cc1)C(F)(F)F |r|
O[C@@](Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(OC(F)(F)F)cc1 |r|
O[C@@](Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(OCC(F)(F)F)cc1 |r|
CCC(C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@H]3CO[C@@](Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O |r|
Clc1ccnc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1
COCCN(C)c1nc(N)c(CN)c(n1)-c1ccc(Cl)cc1Cl
NCc1c(N)nc(nc1-c1ccc(Cl)cc1Cl)-c1ccccc1
OC1(CCNCC1)c1nc(c(o1)-c1ccnc(NC2CCCCC2)c1)-c1ccc(F)cc1
CN1CCC(O)(CC1)c1cn(c(n1)-c1cccc(c1)C(F)(F)F)-c1ccnc(NC2CCCC2)n1
CN1CCN(CC1)c1ccc2n(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NC2CCCC2)n1
Clc1ccc(cc1Cl)C12CC1CNC2
Fc1cc(ccc1Cl)C(CC1CNC1)Oc1cccc(Cl)c1
Fc1ccccc1OC(CC1CNC1)c1ccc(Cl)c(F)c1
Fc1cccc(OC(CC2CNC2)c2ccc(Cl)c(F)c2)c1
Fc1ccc(OC(CC2CNC2)c2ccc(Cl)c(F)c2)cc1
CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(N)=O |r|
CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)Nc1nncs1 |r|
C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
C\C1=C/CC(C)(C)\C=C\C(=O)\C(C)=C\CC1 |c:1,t:7,12|
COc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1OC
C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](OC(C)=O)[C@H](O)[C@H]1OC(C)=O |r|
C\C1=C/CC(C)(C)\C=C\C(=O)\C(C)=C\[C@H](O)C1 |r,c:1,t:7,12|
COc1c(oc2cc(O)cc(O)c2c1=O)-c1ccc(O)cc1
CCCCC[C@H](O)CC(=O)CCc1ccc(OC)c(O)c1 |r|
C\C1=C/[C@H](O)C[C@]2(C)O[C@@H]2CC(C)(C)\C=C\C1=O |r,c:1,t:15|
C\C1=C/CC[C@@]2(C)O[C@@H]2CC(C)(C)\C=C\C1=O |r,c:1,t:14|
C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1O |r|
C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](OC(C)=O)[C@H](O)[C@H]1O |r|
C\C1=C/[C@H](O)C[C@@]2(C)O[C@@H]2CC(C)(C)\C=C\C1=O |r,c:1,t:15|
CCCCCC=CC(=O)CCc1ccc(O)c(OC)c1 |w:5.4|
C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1OC(C)=O |r|
C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H](OC(C)=O)[C@H]1O |r|
C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O |r|
CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C
Fc1ccccc1-c1c[nH]cc(C(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1=O
OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1ccccc1 |c:1|
OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1ccccc1 |c:1|
OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)cccc1Cl |c:1|
OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)cccc1C(F)(F)F |c:1|
OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(cccc1C(F)(F)F)C(F)(F)F |c:1|
OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1c(Cl)cccc1Cl |c:1|
OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1c(Cl)cccc1Br |c:1|
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Cc1cnc([nH]1)-c1cc(Oc2ccc3n(C)c(Nc4cc(ccc4F)C(F)(F)F)nc3c2)ccn1
Cn1c(Nc2cc(ccc2F)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Cn1c(Nc2cccc(c2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Cn1c(Nc2cc(ccc2F)C(C)(C)C)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Cn1c(Nc2ccc(cc2)C(C)(C)C)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Cn1c(Nc2cccc(c2)C(C)(C)C)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Cn1c(Nc2cccc(c2)C(C)(C)C)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)-c3ccccc3)ccc12
Cn1c(Nc2cccc(c2)C(C)(C)C)nc2cc(Oc3ccnc(c3)-c3ncc[nH]3)ccc12
CCc1cccc(CC)c1NC(=O)Nc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1
NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)C(N3CCCC3)c3ccsc3)cc12
CCc1ccccc1C(N(C)C)C(=O)Nc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1
Nc1ccc(cn1)S(=O)(=O)N1CCN(CC1)c1ncc(cc1-c1cccnc1)C(O)(C(F)(F)F)C(F)(F)F
Cn1cc(cn1)-c1cc(cnc1N1CCN(CC1)S(=O)(=O)c1ccc(N)nc1)C(O)(C(F)(F)F)C(F)(F)F
CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(c2ccc(cn2)C(C)C)C3CC3
c1cc(c2nnc(n2c1)C3(CC3)c4ccc(cc4)Cl)C5CC5
COc1cnc2ccc(=O)n(CCN3CCC(CC3)c3nc4cc(C#N)c(C)cc4[nH]3)c2c1
COc1cnc2ccc(=O)n(CCN3CCN(CC3)c3nc4cc(C#N)c(C)cc4[nH]3)c2c1
COc1ccc(C(=O)NC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(C(=O)NCCN5CCCC5)c4C)C(=O)Nc3c2)c(F)c1
CC1(C)C[C@@H](NC(=O)Nc2cccc3cnccc23)c2cc(F)ccc2O1 |r|
CC1(C)C[C@@H](NC(=O)Nc2cccc3cnccc23)c2ccc(F)cc2O1 |r|
CC1(C)C[C@@H](NC(=O)Nc2cccc3cnccc23)c2ccc(OC(F)(F)F)cc2O1 |r|
CCC1(CC)C[C@@H](NC(=O)Nc2cccc3cnccc23)c2cc(F)ccc2O1 |r|
CCC1(CC)C[C@@H](NC(=O)Nc2cccc3cnc(C)cc23)c2cc(F)ccc2O1 |r|
CCC1(CC)C[C@@H](NC(=O)Nc2cccc3cnc(C)cc23)c2cccc(F)c2O1 |r|
CCCC1(CCC)C[C@@H](NC(=O)Nc2cccc3cnc(C)cc23)c2cccc(F)c2O1 |r|
Cc1cc2c(NC(=O)N[C@@H]3CC(C)(C)Oc4cc(F)ccc34)cccc2cn1 |r|
Cc1cc2c(NC(=O)N[C@@H]3CC(C)(C)Oc4cc(ccc34)C(F)(F)F)cccc2cn1 |r|
Cc1cc2c(NC(=O)N[C@@H]3CC(C)(C)Oc4c(F)c(F)ccc34)cccc2cn1 |r|
Cc1cc2c(NC(=O)N[C@@H]3CC(C)(C)Oc4c(F)cc(F)cc34)cccc2cn1 |r|
Cc1cc2c(NC(=O)N[C@@H]3CC(C)(C)Oc4c(F)c(ccc34)C(F)(F)F)cccc2cn1 |r|
Cc1cc2c(NC(=O)N[C@@H]3CC(C)(C)Oc4cc(OC(F)(F)F)ccc34)cccc2cn1 |r|
Cc1cc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4ccc(F)cc34)cccc2cn1 |r|
Cc1cc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(F)ccc34)cccc2cn1 |r|
Cc1cc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(Cl)ccc34)cccc2cn1 |r|
Cc1cc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(ccc34)C3CC3)cccc2cn1 |r|
Cc1cc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4c(F)cccc34)cccc2cn1 |r|
O[C@@H]1[C@@H](COC(=O)C=Cc2ccc(O)cc2)O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@H]1O |r,w:7.6|
CC(C)CC(=O)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
O=C(NCc1ccncn1)c1ccc(Oc2ccccc2C#N)cc1
Clc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1
Fc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1
O=C(NCc1ccncc1)c1ccc(Oc2ccccc2C#N)cc1
O=C(NCc1ccccc1)c1ccc(Oc2ccccc2C#N)cc1
O=C(NCc1cccnc1)c1ccc(Oc2ccccc2C#N)cc1
O=C(NCc1ccncc1)c1ccc(Oc2ccccc2)cc1
Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1
CCOC(=O)c1c2c(c[nH]1)[C@@H](C3=C(N2)CCCC3=O)c4cccc(c4)Oc5[nH]c6ccccc6n5
CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:28|
CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CNCC3=O)Nc12
CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cc(F)ccc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:29|
CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cccc(F)c5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:29|
CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(F)cc(F)cc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:30|
CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cc(F)c(F)cc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:30|
CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5ccc(F)c(F)c5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:30|
CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(F)c(F)c(F)cc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:31|
CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5cccc(Cl)c5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:29|
CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(O)cccc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:29|
CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(N)cccc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:29|
Cc1ncc2CN=C(c3ccccc3F)c3cc(Cl)ccc3-n12 |t:6|
CCOC(=O)c1[nH]cc2[C@H](c3ccc(Sc4nc5ccccc5[nH]4)o3)C3=C(CN(CC3=O)C(=O)CN)Nc12
Cc1ccc(cn1)-c1ncn(n1)-c1ccc(Nc2nccc(n2)-c2cccc(c2)N2CCOCC2)cc1
CC(C)CN1CCC(CC1)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)cc1
O=C(NCc1ccc(cc1)S(=O)(=O)C1CCN(CC1)C1CCOCC1)c1cc2ccncc2o1
O=C(NCc1ccc(cc1)S(=O)(=O)C1CCN(CC1)C1CCOCC1)c1cc2cnccc2[nH]1
CC(C)CN1CCC(CC1)[S+]([O-])c1ccc(CNC(=O)c2cc3ccncc3o2)cc1
CC(C)n1cc(cn1)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)cc1
CCCn1cc(cn1)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)cc1
Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)nc1
[O-][S+](c1ccc(CNC(=O)c2cc3ccncc3o2)nc1)c1cc(F)cc(F)c1
CC(C)n1cc(cn1)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)nc1
CCCn1cc(cn1)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)nc1
C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)Oc1ccnc2c(F)cccc12 |r|
[H][C@]1(C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C)c1ncc([nH]1)-c1ccc(cc1)-c1ccc(s1)-c1cc2[nH]c(nc2s1)[C@]1([H])C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C |r|
COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C)C[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1cc2[nH]c(nc2s1)[C@@H]1C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C |r|
COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3cc(C)ncn3)CC2)c(c1)C(N)=O |r|
COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncccn3)CC2)cc1 |r|
CC(C)C1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncc1F
CCCCC1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncc1F
Cn1c(nc(cc1=O)-c1ccncc1F)N1CCOC(C1)C1CCC1
C[C@@H]1COCCN1c1nc(cc(=O)n1C)-c1ccncc1F |r|
C[C@H]1COCCN1c1nc(cc(=O)n1C)-c1ccncc1F |r|
Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1ccc(F)cc1 |r|
C[C@H]1OCCN([C@@H]1C)c1nc(cc(=O)n1C)-c1ccncc1F |r|
[H][C@@]12CCC[C@@]1([H])N(CCO2)c1nc(cc(=O)n1C)-c1ccncc1F |r|
[H][C@@]12CCCC[C@@]1([H])N(CCO2)c1nc(cc(=O)n1C)-c1ccncc1F |r|
[H][C@@]12COC[C@@]1([H])N(CCO2)c1nc(cc(=O)n1C)-c1ccncc1F |r|
CC(C(c1ccc2cc(OCC(C)(C)C(=O)N(C)C)ccc2c1)n1ccnc1)N(C)C
COC(=O)COc1ccc(COc2ccc3cc(ccc3c2)C(C(C)N(C)C)n2ccnc2)cc1
CNC(=O)C(C)(C)COc1ccc2cc(ccc2c1)C(C(C)N(C)C)n1ccnc1
CC(C(c1ccc2cc(OCC(C)(C)C)ccc2c1)n1ccnc1)N(C)C
CC(C(c1ccc2cc(OCc3cccc(c3)C(O)=O)ccc2c1)n1ccnc1)N(C)C
CC(C(c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1)N(C)C
COC(=O)Cc1ccc(COc2ccc3cc(ccc3c2)C(C(C)N(C)C)n2ccnc2)cc1
CC(C(c1ccc2cc(OCc3cccc(c3)C(N)=O)ccc2c1)n1ccnc1)N(C)C
CC(C(c1ccc2cc(OCc3ccc(OC(C)(C)C)cc3)ccc2c1)n1ccnc1)N(C)C
CC(C(c1ccc2cc(OCc3cccc(c3)C(=O)N(C)C)ccc2c1)n1ccnc1)N(C)C
COC(=O)c1cccc(COc2ccc3cc(ccc3c2)C(C(C)N(C)C)n2ccnc2)c1
CC(C(c1ccc2cc(OCc3ccccc3)ccc2c1)n1ccnc1)N(C)C
CC(C(c1ccc2cc(OCC(C)(C)C(N)=O)ccc2c1)n1ccnc1)N(C)C
CC(C(c1ccc2cc(OCc3ccc(cc3)C#N)ccc2c1)n1ccnc1)N(C)C
CC(C(c1ccc2cc(OCc3ccc(cc3)[N+]([O-])=O)ccc2c1)n1ccnc1)N(C)C
CC(C(c1ccc2cc(OCc3ccc(cc3)C(O)=O)ccc2c1)n1ccnc1)N(C)C
CC(C(c1ccc2cc(OCc3ccc(OCC(O)=O)cc3)ccc2c1)n1ccnc1)N(C)C
CC(C(c1ccc2cc(OCC(O)=O)ccc2c1)n1ccnc1)N(C)C
CNC(=O)c1cccc(COc2ccc3cc(ccc3c2)C(C(C)N(C)C)n2ccnc2)c1
COC(=O)c1ccc(COc2ccc3cc(ccc3c2)C(C(C)N(C)C)n2ccnc2)cc1
CC(C(c1ccc2cc(OCc3ccc(CC(O)=O)cc3)ccc2c1)n1ccnc1)N(C)C
Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)cn2C1=O
CC(CCN1CCOCC1)CC(=O)Nc1ccc(cc1)C(=O)Nc1nccs1
[H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CCO5)C5CN(C5)C5COC5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
[H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CCO5)C5CN(CCOC)C5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
[H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CCO5)C5CN(CC(C)(C)O)C5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
[H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CCO5)C5CN(CCO)C5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
[H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CC6CN(C6)C(C)C)CCO5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
[H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CC6CN(C6)C6CCC6)CCO5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
[H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CC6CN(C6)C6COC6)CCO5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
[H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CC6CN(CCOC)C6)CCO5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
[H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CC6CN(CC(C)(C)O)C6)CCO5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
[H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CC6CN(CCO)C6)CCO5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
[H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CCO5)C5CN(C5)C(C)C)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
[H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CC6CN(C)C6)CCO5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
[H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CCO5)C5CN(C)C5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
[H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CCO5)C5CN(C5)C5CCC5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
[H][C@]12O[C@]([H])(C[C@@H](C)[C@]1([H])[C@@]1(C)CC[C@@]34C[C@@]33CC[C@H](O[C@@]5([H])CN(CCOC)CCO5)C(C)(C)[C@]3([H])CC[C@@]4([H])[C@]1(C)[C@H]2O)[C@H](OCC)C(C)(C)O |r|
CC(C)N(C[C@@H]1CNC[C@H]1OC(=O)NCc2ccccc2)C(=O)c3ccc(c(c3)OCCCOC)OC
COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NC(=O)C1CCOCC1)C(C)C |r|
COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NC(=O)CC1CCOCC1)C(C)C |r|
COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)CC1CCOCC1)C(C)C |r|
CC(C)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)Cc2ccccc2)C(=O)c3ccc(c(c3)OCCCOC)OC
COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NC(=O)OCc1ccccc1)C(C)C |r|
COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NC(=O)OCC1CCCCC1)C(C)C |r|
COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NCc1ccc2ccccc2c1)C(C)C |r|
COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NC(=O)CCc1ccccc1)C(C)C |r|
CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]cnc1-c1ccccc1
CC(C)CN1CCC(CC1)c1nc(c([nH]1)-c1ccccc1)-c1ccc2nc(N)n(c2c1)S(=O)(=O)C(C)C
CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]c(nc1-c1ccccc1)-c1c(F)cccc1F
CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1nc[nH]c1-c1ccc(F)cc1
CCc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccc2nc(N)n(c2c1)S(=O)(=O)C(C)C
Nc1nc2ccc(cc2n1S(=O)(=O)C1CCCC1)-c1[nH]c(nc1-c1ccccc1)-c1c(F)cccc1F
CC(C)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccc2nc(N)n(c2c1)S(=O)(=O)C(C)C
CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1nc([nH]c1-c1ccc(F)cc1)C(C)(C)C
COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCc1csc(C)n1
COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCc1cc(no1)C(C)C
CCn1nc(C)c(CNC(=O)c2ccc(OC)c(OC3CCN(CC3)C(C)C)c2)c1C
COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NC(C)Cc1ccccn1
CC(C)c1cc(on1)CNC(=O)c2ccc(c(c2)OC3CCN(CC3)C)OC
COc1ccc(cc1OCCN1CCCCC1)C(=O)NCc1cc(no1)C(C)C
OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2ccc(Br)cc2)c(F)c1
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Br)s1)C(=O)NC |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1cnccn1)C(=O)NC |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccco1)C(=O)NC |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)NC |r|
Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1
C(CNCCc1ccnc(n1)-n1ccnc1)Cc1cccnc1
Cc1cncn1-c1nccc(CCNCCCc2cccc(F)c2)n1
Fc1cccc(C[C@@H]2C[C@H]2NCCc2ccnc(n2)-n2ccnc2)c1
CONC(=O)c1cc(Nc2ncnn3cc(-c4ncc(C)o4)c(C(C)C)c23)c(F)cc1F
c1cc(c(cc1[C@@H](CO)N2C=CC(=CC2=O)c3ccnc(n3)NC4CCOCC4)F)Cl
CC(=O)N1CCCn2nc(COc3ccccc3)cc12
NC(=O)C1CCN(CC1)c1c(Cl)cncc1Cl
Clc1cncc(-c2ccc(cc2)N2CCOCC2)c1N1CCC2(CCNC2=O)CC1
CN1C(=O)[C@@]2(C[C@H]2c2ccc3c(\C=C\c4ccc(nc4)N4CCN(C)CC4)n[nH]c3c2)c2ccccc12 |r|
O=C1Nc2ccccc2[C@]11C[C@H]1c1ccc2c(\C=C\c3ccc(cc3)N3CCNCC3)n[nH]c2c1 |r|
CN(C)Cc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)N(C)c3ccccc23)cc1 |r|
F[C@@H]1CCN(Cc2ccc(\C=C\c3n[nH]c4cc(ccc34)[C@@H]3C[C@@]33C(=O)Nc4ccccc34)cc2)C1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCCCC6)cc5)n[nH]c4c3)c2c1 |r|
Cc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCOCC6)cc5)n[nH]c4c3)c2c1 |r|
COc1ccc2N(C)C(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCOCC6)cc5)n[nH]c4c3)c2c1 |r|
C[C@H]1CN(Cc2ccc(\C=C\c3n[nH]c4cc(ccc34)[C@@H]3C[C@@]33C(=O)Nc4ccccc34)cc2)C[C@@H](C)O1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6C[C@H](C)O[C@H](C)C6)cc5)n[nH]c4c3)c2c1 |r|
COc1ccc2N(C)C(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6C[C@H](C)O[C@H](C)C6)cc5)n[nH]c4c3)c2c1 |r|
COc1ccc2N(C)C(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(cc5)[C@H](C)N5CCOCC5)n[nH]c4c3)c2c1 |r|
COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6[C@@H](C)CN(C)C[C@H]6C)cc5)n[nH]c4c3)c2c1 |r|
CC(C)N1CCC(CC1)Oc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cc1 |r|
OCCc1c(-c2cc(Cl)ccc2O)c2cc(ccc2n(CC#N)c1=O)C(F)(F)F |(7.73,-9.48,;6.35,-8.8,;5.07,-9.64,;3.73,-8.89,;2.39,-9.66,;2.39,-11.21,;1.05,-11.98,;1.05,-13.52,;-.3,-14.31,;2.39,-14.29,;3.72,-13.52,;3.72,-11.98,;5.06,-11.18,;1.06,-8.89,;-.27,-9.66,;-1.61,-8.89,;-1.61,-7.35,;-.27,-6.58,;1.06,-7.35,;2.39,-6.58,;2.39,-5.04,;3.48,-3.94,;4.56,-2.85,;3.72,-7.35,;5.07,-6.58,;-2.96,-9.67,;-2.17,-11.02,;-4.31,-10.46,;-3.75,-8.33,)|
OCCc1c(-c2cc(Cl)ccc2O)c2cc(ccc2[nH]c1=O)C(F)(F)F |(2.78,.49,;1.44,1.26,;.11,.48,;-1.22,1.25,;-2.56,.47,;-2.56,-1.06,;-3.89,-1.83,;-3.89,-3.37,;-5.22,-4.14,;-2.55,-4.14,;-1.22,-3.36,;-1.23,-1.82,;.1,-1.05,;-3.89,1.24,;-5.23,.46,;-6.56,1.23,;-6.56,2.78,;-5.23,3.55,;-3.9,2.78,;-2.57,3.56,;-1.23,2.8,;.1,3.57,;-7.9,.46,;-9.24,-.3,;-7.13,-.87,;-8.66,1.8,)|
NC(=O)Cn1c2ccc(cc2c(-c2cc(Cl)ccc2O)c(CCO)c1=O)C(F)(F)F |(2.02,-3.4,;.48,-3.26,;-.16,-1.85,;-.41,-4.52,;-.41,-6.06,;-1.74,-6.83,;-3.08,-6.06,;-4.41,-6.85,;-4.41,-8.37,;-3.08,-9.14,;-1.74,-8.37,;-.41,-9.14,;-.41,-10.7,;-1.74,-11.47,;-1.74,-13.02,;-3.1,-13.81,;-.41,-13.79,;.92,-13.02,;.92,-11.47,;2.22,-10.96,;.94,-8.37,;2.43,-8.77,;3.86,-8.25,;5.05,-9.24,;.93,-6.83,;2.27,-6.06,;-5.76,-9.17,;-7.1,-9.95,;-6.54,-7.81,;-4.97,-10.51,)|
OCCc1c(-c2cc(Cl)ccc2O)c2cc(ccc2n(Cc2nnn[nH]2)c1=O)C(F)(F)F |(10.1,-7.54,;8.94,-6.54,;7.49,-7.08,;6,-6.68,;4.65,-7.45,;4.65,-8.99,;3.32,-9.76,;3.32,-11.32,;1.97,-12.09,;4.65,-12.09,;5.98,-11.32,;5.98,-9.76,;7.28,-9.25,;3.32,-6.68,;1.99,-7.45,;.66,-6.68,;.66,-5.14,;1.99,-4.37,;3.32,-5.14,;4.65,-4.37,;4.67,-2.83,;6.02,-2.06,;7.42,-2.68,;8.45,-1.54,;7.7,-.22,;6.19,-.52,;6,-5.14,;7.33,-4.37,;-.69,-7.47,;-2.03,-8.24,;-1.47,-6.12,;.1,-8.8,)|
COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 |r|
COc1cccc(OC)c1[C@@H]1C[C@H](Cl)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 |r|
COc1cccc(OC)c1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 |r|
COc1cccc(OC)c1C1CC(F)(F)C(=O)N1Cc1ccc(OC(F)(F)F)cc1
COc1cccc(OC)c1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 |r|
CO[C@H]1C[C@H](N(Cc2ccc(OC(F)(F)F)cc2)C1=O)c1c(OC)cccc1OC |r|
COc1cccc(OC)c1C1CCC(=O)N1Cc1ccc2oc3ccccc3c2c1
COc1cccc(OC)c1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc2oc3ccccc3c2c1 |r|
COc1cccc(OC)c1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc2oc3ccccc3c2c1 |r|
COc1cccc(F)c1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc2oc3ccccc3c2c1 |r|
COc1cccc(F)c1C1C[C@@H](O)C(=O)N1Cc1ccc2oc3ccccc3c2c1 |r|
COc1cccc(F)c1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc2oc3ccccc3c2c1 |r|
OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(c(F)c1)-c1ccc(O)cc1
OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(c(F)c1)-c1ccc(F)cc1
CC1(C)CCC(CC1)c1ccc(cc1)-c1ccc(cc1F)C1(CC1)C(O)=O
CC1(C)CC(CC(C)(C)C1)Oc1ccc(cc1)-c1ccc(cc1F)C1(CC1)C(O)=O
CC(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)-c1ccc(O)cc1
OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(cc1)C1CCCCC1
CC(C)(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)C1CCCCC1
OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(Cl)c(Cl)c1
CC(C)(O)Cn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(cc1)-c1cnc(N)nc1
CN(C)C(=O)Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)nc1 |r|
CN(C)CCn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)nc1 |r|
CC(C)(O)Cn1cc(cn1)-c1nc(no1)[C@](C)(C1CC1)c1ccc(cc1)-c1cnc(N)nc1 |r|
Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(F)c1
Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cnccc1C
C[C@@]1(CCN(C1=O)c1ccc(Cl)cc1)Nc1ccc(cc1)C(=O)NO |r|
C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)C2CC12 |r,t:18|
C[C@H](COc1ccc(cc1)C1=NNC(=O)C2CC12)CN1CCC[C@H]1C |r,t:11|
[H][C@@]12C[C@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6|
[H][C@]12C[C@@]1([H])C(=NNC2=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r,c:6|
C(COc1ccccc1)CN1CCC(Cc2cnc[nH]2)CC1
CN(C)CCCOc1ccc(CN2CCCCC2)cc1
Fc1ccc(cc1)C(=O)N1CCn2c(C1)nnc2-c1ccccn1
Cc1cccc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)cc1
Fc1ccc(cc1)C(=O)N1CCn2c(C1)nnc2-c1cccc(n1)C(F)(F)F
C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(F)cc1 |r|
C[C@H]1N(CCn2c1nnc2-c1csc(n1)-c1ccccc1)C(=O)c1ccc(F)cc1 |r|
C[C@H]1N(CCn2c1nnc2-c1cccc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r|
C[C@H]1N(CCn2c1nnc2-c1cncc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r|
C[C@H]1N(CCn2c1nnc2-c1csc(n1)-c1ccc(F)cc1F)C(=O)c1ccc(cc1)-c1cccs1 |r|
C[C@H]1N(CCn2c1nnc2-c1csc(C)n1)C(=O)c1ccc(cc1)-c1cccs1 |r|
Cc1nc(cs1)-c1nnc2CN(CCn12)C(=O)c1ccc(cc1)-c1cccs1
C[C@H]1N(CCn2c1nnc2-c1csc(n1)C(F)(F)F)C(=O)c1ccc(cc1)-c1cccs1 |r|
CC(C)c1nc(cs1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1cccs1 |r|
CC(C)c1nc(co1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1cccs1 |r|
C[C@H]1N(CCn2c1nnc2-c1nc(C)cs1)C(=O)c1ccc(cc1)-c1cccs1 |r|
C[C@H]1N(CCn2c1nnc2-c1nc(C)no1)C(=O)c1ccc(cc1)-c1cccs1 |r|
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(cc1)-c1cccs1 |r|
CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1
O=CN1CCC(CC1)Oc1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)NC(C1CC1)c1ccccc1
O=CN1CCC(CC1)Oc1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)NC(C1CC1)c1ccccn1
CN(C)CC(=O)N1CCC(CC1)Oc1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)NC(C1CC1)c1ccccc1
[H][C@]12CC[C@]([H])(C[C@@H](C1)Oc1ccc(cc1)-c1n[nH]c3ccc(cc13)C(=O)NC(C1CC1)c1ccccc1)N2C |r|
[H][C@]12CC[C@]([H])(C[C@@H](C1)Oc1ccc(cc1)-c1n[nH]c3ccc(cc13)C(=O)NC(CC(C)C)c1ccccn1)N2C=O |r|
Fc1ccccc1[C@H](NC(=O)c1ccc2[nH]nc(-c3ccc(cc3)N3C4CCC3COC4)c2c1)C1CC1 |r|
CC(C)[C@H](NC(=O)c1ccc2[nH]nc(-c3ccc(cc3)N3C4CCC3COC4)c2c1)c1ccccc1Cl |r|
O=C(N[C@H](C1CC1)c1ccccn1)c1ccc2[nH]nc(-c3ccc(cc3)N3C4CCC3COC4)c2c1 |r|
O=C(N[C@@H](C1CCCC1)c1ccccn1)c1ccc2[nH]nc(-c3ccc(cc3)N3C4CCC3COC4)c2c1 |r|
O=C(N[C@H](C1CCCC1)c1ccccn1)c1ccc2[nH]nc(-c3ccc(cc3)N3C4CCC3COC4)c2c1 |r|
[H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@@H](C1CC1)c1ccccn1 |r,@:7|
[H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@H](C1CC1)c1ccccn1 |r,@:7|
[H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@@H](C1CCCC1)c1ccccn1 |r,@:7|
[H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@H](C1CCCC1)c1ccccn1 |r,@:7|
[H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@@H](C1CCCC1)c1ncccn1 |r,@:7|
[H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@@H](CC(C)C)c1ccccn1 |r,@:7|
[H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@H](CC(C)C)c1ccccn1 |r,@:7|
[H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@H](CC1CC1)c1ccccn1 |r,@:7|
[H][C@]12COC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@H](C1CCCC1)c1ccccn1 |r,@:8,THB:9:8:11:2.4.3|
[H][C@]12CSC(N)=N[C@]1(CO[C@H](C2)c1cc(C)no1)c1ccc(F)cc1F |r,c:5|
Cn1cc(cn1)[C@H]2C[C@H]3CSC(=N[C@]3(CO2)c4ccc(cc4F)F)N
C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1nc(C)co1)c1ccc(F)cc1F |r,c:4|
C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1cc(C)no1)c1ccc(F)cc1F |c:4|
C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1cnn(C)c1)c1ccc(F)cc1F |c:4|
[H][C@@]12C[C@@H](OC[C@@]1(N=C(N)S[C@@H]2CF)c1ccc(F)cc1F)c1nc(C)co1 |r,t:8|
Cc1cc(on1)[C@H]1C[C@H]2[C@@H](CF)SC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:15|
Cn1cc(cn1)[C@H]1C[C@H]2[C@@H](CF)SC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:15|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ncco1)c1ccc(F)cc1F |r,t:1|
[H][C@]12CSC(N)=N[C@]1(CO[C@H](C2)c1nc(C)co1)c1ccc(F)cc1F |r,c:5|
CC(C)(O)c1ccccc1-c1ccc2[nH]c(\C=C\c3ccc(cc3)C(F)(F)F)nc2c1
c1ccc2c(c1)nc(n2CCCCO)CN3c4cnccc4N(C3=O)C5CC5
OC(=O)CCc1c(Cn2c3cnccc3n(C3CC3)c2=O)nc2cc(Cl)ccn12
CS(=O)(=O)CCc1c(Cn2c3cnccc3n(C3CC3)c2=O)nc2cc(Cl)ccn12
CCS(=O)(=O)CCc1c(Cn2c3cnccc3n(C3CC3)c2=O)nc2cc(Cl)ccn12
CCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
OC(C1CCN(CCCC(=O)c2ccc(CC=C)cc2)CC1)(c1ccccc1)c1ccccc1
OC(=O)c1cccc(c1)-c1ncccc1-c1cc(Cl)ccc1OCc1ccccc1
OC(=O)c1cccc(c1)-c1ccncc1-c1cc(Cl)ccc1OCc1ccccc1
CC[C@H]([C@@H](c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1)N(C)C
C[C@H]([C@@H](c1ccc2cc(OCC3(CCC3)C(O)=O)ccc2c1)n1ccnc1)N(C)C
CCN(C)[C@H](C)[C@@H](c1ccc2cc(OCC3(CCCC3)C(O)=O)ccc2c1)n1ccnc1
C[C@H]([C@@H](c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1)N(C)C1CCCCC1
C[C@H]([C@@H](c1ccc2cc(OCC3(CCCC3)C(O)=O)ccc2c1)n1ccnc1)N(C)C
CC(C)N(C)[C@H](C)[C@@H](c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1
CCCCN(C)[C@H](C)[C@@H](c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1
CCN(CC)[C@H](C)[C@@H](c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1
C[C@H]([C@@H](c1ccc2cc(OCC3(CCOCC3)C(O)=O)ccc2c1)n1ccnc1)N(C)C
CCC(CC)(COc1ccc2cc(ccc2c1)[C@H]([C@@H](C)N(C)C)n1ccnc1)C(O)=O
CN(C)C[C@@H](c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1
CC(C)N(C)[C@H](C)[C@@H](c1ccc2cc(OCC3(CCCC3)C(O)=O)ccc2c1)n1ccnc1
CN(C)C(C)(C)[C@@H](c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1
C[C@H]([C@@H](c1ccc2cc(OCC3(CC3)C(O)=O)ccc2c1)n1ccnc1)N(C)C
CCN(CC)[C@H](C)[C@@H](c1ccc2cc(OCC3(CCCC3)C(O)=O)ccc2c1)n1ccnc1
C[C@H]([C@@H](c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1)N1CCOCC1
C[C@H]([C@@H](c1ccc2cc(OCC3(CCCCC3)C(O)=O)ccc2c1)n1ccnc1)N(C)C
CCN(C)[C@H](C)[C@@H](c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1
C[C@H]([C@@H](c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1)N(C)C
CC(C)c1cc2CC[C@H]3C(C)(C)CCC[C@]3(C(O)=O)c2c(O)c1O |r|
FC(F)(F)Oc1ccc(NC(=O)c2sccc2NCc2ccnc3ccccc23)cc1
[H][C@]12Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N1[C@H](C)CCO2 |r|
[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(OC(O)[C@@H]2C)O4 |r|
[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(OC(=O)[C@@H]2C)O4 |r|
CC[C@@H](C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@@H]3CO[C@@](Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O |r|
CC[C@H](C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@@H]3CO[C@@](Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O |r|
CC[C@@H](C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O |r|
CC[C@H](C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O |r|
Clc1ccc(C(=O)Cn2cncn2)c(Cl)c1
CC[C@@H](C)N1C(=O)N(C=N1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl
CC[C@H](C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@H]3CO[C@@](Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O |r|
CC[C@H](C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@@H]3CO[C@](Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O |r|
CC[C@@H](C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@@H]3CO[C@](Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O |r|
CC(C)(C)NC(=O)c1ccc(Oc2cc(F)c(CC(O)=O)cc2Cl)c(NS(=O)(=O)c2ccc(cc2Cl)C2CC2)c1
CC(C)(C)NC(=O)c1ccc(Oc2cc(F)c(CC(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)cc2Cl)c(NS(=O)(=O)c2ccc(cc2Cl)C2CC2)c1 |r|
CC(C)[C@H]1c2ccc(cc2CC[C@@]1(CCN(C)CCCc3[nH]c4ccccc4n3)OC(=O)COC)F
CC(C)[C@H]1c2ccc(F)cc2CC[C@]1(O)CCN(C)CCCc1nc2ccccc2[nH]1 |r|
C[C@@H](N(C)C(=O)N1CC[C@@H](C[C@@H]1c1ccc(F)cc1C)N1CCN(CC1)C(C)=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
C[C@@H](N(C)C(=O)N1CC[C@@H](C[C@@H]1c1ccc(F)cc1C)N1CCN(C(O)C1)C(C)=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Cc1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CC[C@@H](C3)N3CCCCC3)c12 |r|
N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(O)(C3)C1)C2 |TLB:1:12:15:20.18.17,THB:13:14:17:22.12.21,13:12:15.14.20:17,21:12:15:20.18.17,21:18:15:22.13.12,19:18:15:22.13.12|
N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(O)(CC(O)(C3)C1)C2 |r,TLB:21:14:23:18.22.19,21:19:14.15.13:23,20:19:14.15.13:23,17:16:14.13.21:22,15:16:14.13.21:22,THB:15:14:22:18.23.16|
CCOc1ccc(cc1)N2C(=O)c3cccnc3N=C2[C@@H](C)N(Cc4cccnc4)C(=O)Cc5ccc(cc5)OC(F)(F)F
C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1)c1nc2ncccc2c(=O)n1-c1ccc(O)cc1 |r|
[H][C@@]1([#6@H](-[#8]-[#6])-[#6@@H](-[#6]-[#6][C@]11[#6]-[#8]1)-[#8]-[#6](=O)-[#7]-[#6@H](-[#6](-[#6])-[#6])-[#6](-[#7])=O)[C@@]1([#6])[#8]-[#6@@H]1-[#6]\[#6]=[#6](\[#6])-[#6] |r|
C[C@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
CN1CCC(CCOc2cn3ncnc(Oc4ccc5[nH]c(C)cc5c4F)c3c2C)CC1
Cc1cc2c(F)c(Oc3ncnn4cc(OCCN5CC[C@H](O)C5)c(C)c34)ccc2[nH]1
COC[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Cc1cc2c(F)c(Oc3ncnn4cc(OCCCN5CCCC5)c(C)c34)ccc2[nH]1
Cc1cc2c(F)c(Oc3ncnn4cc(OCCCN5CCCCC5)c(C)c34)ccc2[nH]1
Cc1cc2c(F)c(Oc3ncnn4cc(OCCCS(C)(=O)=O)c(C)c34)ccc2[nH]1
Cc1cc2c(F)c(Oc3ncnn4cc(OCCCNS(C)(=O)=O)c(C)c34)ccc2[nH]1
OC(=O)\C=C/C(O)=O.CC(C)N1CCN(CC1)C(=O)c1ccc(CN2CCOCC2)cc1
CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2cc(F)cc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Cl.CC1(C)C2CCC1(C)CC2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(O)=O |r,TLB:11:10:6.5:2|
COc1ccccc1Oc1cccc(CN2CCC(CC2)(NC(=O)C2(CCNCC2)c2ccccc2)C(O)=O)c1
Clc1ccccc1Oc1cccc(CN2CCC(CC2)NC(=O)C2(CCNC2)c2ccccc2)c1
COc1ccccc1Oc1cccc(CN2CCC(CC2)NC(=O)Cc2ccccc2)c1
CCN1CCC(CC1)(C(=O)NC1(CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1)C(O)=O)c1ccccc1
O=C(Cc1ccccc1)NC1CCN(Cc2cccc(Oc3ccccc3)c2)CC1
CCOC(=O)C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1
CC(C)(N1CCC(CC1)(C(=O)NC1CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1)c1ccccc1)C(O)=O
COc1ccccc1Oc1cccc(CN2CCC(CC2)NC(=O)C2(CCCCC2)c2ccc(Cl)cc2)c1
CCC(=O)NC1CCN(Cc2cccc(Oc3ccccc3)c2)CC1
OC(=O)C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1
CCN1CCC(CC1)(C(=O)NC1CCN(Cc2cccc(Oc3ccccc3OC)c2)CC1)c1ccccc1
CCNC(=O)C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1
COc1ccccc1Oc1cccc(CN2CCC(CC2)NC(=O)C2(CCNCC2)c2ccccc2)c1
CC(C)(N1CCC(C1)(C(=O)NC1CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1)c1ccccc1)C(O)=O
CCN1CCC(CC1)(C(=O)NC1CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1)c1ccccc1
CC[C@H](N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C#N |r|
NC(=O)c1sc(cc1N)-c1ccccc1
NC(=O)c1nc(oc1N)-c1ccc(cc1)C(F)(F)F
Cc1cc(C)c2c(N)c(sc2n1)C(N)=O
NC(=O)c1sc(cc1N)-c1ccc(F)cc1
NC(=O)c1sc2ncccc2c1N
NC(=O)c1nc(oc1N)-c1ccccc1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)[C@]2([H])C(=O)C=C2[C@@]3(C)C=C(C#N)C(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=O |r,t:19,23|
[H][C@@]12CC(C)(C)CC[C@]11CC[C@]3(C)[C@]2(N(C2CCCCC2)C1=O)C(=O)C=C1[C@@]2(C)C=C(C#N)C(=O)C(C)(C)[C@]2([H])CC[C@@]31C |r,t:29,33,THB:22:21:11.10.9:1,15:14:11.10.9:1|
CCn1cc(cn1)[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nn(C)c(=O)o1 |r|
Fc1cncc(c1)-c1nc2cc(F)c(F)cc2n1C1CC1
CC(C)(O)c1cncc(c1)-c1nc2cc(F)c(F)cc2n1C1CC1
CC(C)(O)c1cncc(c1)-c1nc2ccc(F)cc2n1C1CC1
Cc1c(F)cncc1-c1nc2cc(F)c(F)cc2n1C1CC1
CN1CCN(Cc2ccc3Cc4c(n[nH]c4-c4ccsc4)-c3c2)CC1
C(c1ccc2Cc3c(n[nH]c3-c3ccsc3)-c2c1)n1ccnc1
O=C(Nc1ccc2cccnc2c1)c1ccc(nc1)-c1ccccc1
CC(C)C[C@H]1N([C@@H](C(=O)N(C)C)c2ccc(F)cc2F)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccc3occc3c2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Cc1cc(nn1Cc1cc(Br)ccc1OCc1ccccc1)C(O)=O
Cl.[H][C@]12CCCN1CCN(C2)C(=O)c1cc(c(F)cc1Cl)S(=O)(=O)Nc1ccccc1F |r|
CC(C)N1CCN(CC1)C(=O)N1CCC(CC1)C(=O)OC(C)(C)C
CC(C)N1CCN(CC1)C(=O)N1CCC(CC1)NC(=O)C1CCCC1
CC(C)N1CCN(CC1)C(=O)N1CCC(CC1)C(C)(C)C
CC(C)N1CCN(CC1)C(=O)N1CCC(CC1)C(=O)N1CC2CCC(CC2)C1 |(-10.27,-12.49,;-8.93,-13.25,;-8.92,-14.79,;-7.6,-12.47,;-7.61,-10.93,;-6.29,-10.15,;-4.94,-10.9,;-4.93,-12.44,;-6.26,-13.23,;-3.62,-10.12,;-3.64,-8.58,;-2.28,-10.87,;-2.27,-12.41,;-.93,-13.16,;.4,-12.38,;.38,-10.84,;-.96,-10.08,;1.74,-13.14,;1.75,-14.68,;3.07,-12.37,;4.64,-12.83,;5.99,-11.86,;7.33,-12.56,;6.6,-11.37,;4.98,-10.51,;5.01,-9.04,;6.04,-10.28,;4.29,-11.83,)|
COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C(C)(C)C)c(nc2c(F)cccc12)-c1ccccc1)c1ccccc1
COc1cccc(CC(=O)Nc2nc(cs2)-c2ccncc2)c1
COc1cccc(CC(=O)Nc2cc(cs2)-c2ccncc2)c1
COc1cccc(CC(=O)Nc2nc(cs2)-c2ccncn2)c1
COc1cccc(CC(=O)Nc2cc(cs2)-c2ccncn2)c1
COc1cccc(CC(=O)Nc2nc(cs2)-c2ccnc(C)c2)c1
COc1cccc(CC(=O)Nc2nc(cs2)-c2ccnc(N)c2)c1
CNc1cc(ccn1)-c1csc(NC(=O)Cc2cccc(OC)c2)n1
COc1cccc(CC(=O)Nc2nc(cs2)-c2ccnc(c2)N(C)C)c1
COc1cccc(CC(=O)Nc2nc(cs2)-c2ccnc(OC)c2)c1
COc1cccc(CC(=O)Nc2nc(cs2)-c2ccnc(F)c2)c1
COc1cccc(CC(=O)Nc2nc(cs2)-c2ccnc(Cl)c2)c1
COc1cccc(CC(=O)Nc2cc(cs2)-c2ccnc(F)c2)c1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(cs2)-c2ccnc(F)c2)c1
COc1cccc(CC(=O)Nc2cc(cs2)-c2ccnc(Cl)c2)c1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(cs2)-c2ccnc(Cl)c2)c1
COc1cccc(CC(=O)Nc2cc(cs2)-c2ccnc(N)c2)c1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(cs2)-c2ccnc(N)c2)c1
[H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(F)cccc1-n1nccn1 |r|
CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4ccccc4n(-c4ccccn4)c3=O)cc2C1 |r|
NCC1CCC(CNc2nc(NCc3ccccc3Cl)ncc2[N+]([O-])=O)CC1 |(35.48,-16.58,;35.49,-15.04,;34.15,-14.27,;32.82,-15.03,;31.49,-14.27,;31.5,-12.73,;30.16,-11.96,;30.16,-10.42,;28.82,-9.66,;27.49,-10.43,;26.15,-9.66,;24.82,-10.43,;23.48,-9.65,;22.15,-10.42,;20.82,-9.65,;19.49,-10.42,;19.48,-11.96,;20.83,-12.73,;22.15,-11.96,;23.49,-12.72,;26.15,-8.11,;27.48,-7.34,;28.82,-8.11,;30.15,-7.33,;31.49,-8.09,;30.15,-5.79,;32.82,-11.95,;34.16,-12.73,)|
CSc1ccccc1CNc1ncc(c(NCC2CCC(CN)CC2)n1)[N+]([O-])=O |(25.65,-13.62,;25.64,-12.08,;24.31,-11.32,;22.98,-12.09,;21.64,-11.32,;21.64,-9.78,;22.97,-9.01,;24.3,-9.79,;25.64,-9.02,;26.97,-9.79,;28.31,-9.02,;28.31,-7.47,;29.64,-6.7,;30.97,-7.47,;30.98,-9.02,;32.31,-9.79,;32.32,-11.33,;33.65,-12.09,;33.64,-13.63,;34.97,-14.4,;36.31,-13.63,;37.64,-14.4,;37.64,-15.94,;36.31,-12.09,;34.97,-11.31,;29.64,-9.79,;32.31,-6.69,;33.64,-7.45,;32.3,-5.15,)|
CN(C)CC1CCC(CNc2nc(NCc3ccccc3Cl)ncc2[N+]([O-])=O)CC1 |(6.51,-38.8,;5.18,-38.02,;3.85,-38.79,;5.18,-36.48,;3.85,-35.71,;2.52,-36.48,;1.19,-35.71,;1.19,-34.17,;-.14,-33.41,;-.14,-31.87,;-1.48,-31.1,;-2.82,-31.87,;-4.15,-31.1,;-5.48,-31.87,;-6.82,-31.1,;-8.15,-31.87,;-9.48,-31.09,;-10.82,-31.86,;-10.82,-33.4,;-9.48,-34.17,;-8.15,-33.4,;-6.81,-34.17,;-4.15,-29.56,;-2.82,-28.78,;-1.48,-29.55,;-.15,-28.77,;1.19,-29.54,;-.16,-27.23,;2.52,-33.39,;3.85,-34.17,)|
[O-][N+](=O)c1cnc(NCc2ccccc2Cl)nc1NCC1CCNCC1
CN1CCc2ccc(NS(=O)(=O)c3ccc(cc3)-c3ccc(Cl)cc3)cc2CC1
CCCCc1ccc(cc1)S(=O)(=O)Nc1ccc2CCN(C)CCc2c1
CC(C)Nc1cc2CCN(C)CCc2cc1NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
c1ccc(cc1)NC(=O)CCCCCCC(=O)NO
ONC(=O)c1ccc(s1)-c1ccn(CCNCc2ccc3OCOc3c2)n1
ONC(=O)c1ccc(s1)-c1ccc(CNCc2ccccc2)cn1
N[C@@H](CC(=O)N1C[C@@H](F)C[C@H]1C#N)Cc1cc(F)c(F)cc1F |r|
[H][C@@]12CCC[C@]1([H])N([C@@H](C2)C#N)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
CN1CCN(C(=O)c2cncnc2Oc2cc(Cl)ccc2Cl)c2ccccc12
CN1CCN(C(=O)c2cnc(O)nc2Oc2cc(Cl)ccc2Cl)c2ccccc12
CN1CCN(C(=O)C2(CC2)C(=O)Nc2cc(Cl)ccc2Cl)c2ccccc12
Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cccnc2)c1
COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C)C[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc2[nH]c(nc2c1)[C@@H]1C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C |r|
COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)[C@H]3CCN(CCO)C[C@@H]3O)nn12 |r|
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
O=C(OCc1ccccc1)N1CCC(CNc2nncs2)CC1
O=C(OCc1ccccc1)N1CCC(CNc2ccncc2)CC1
O=C(OCc1ccccc1)N1CCC(CNc2cccnc2)CC1
O=C(OCc1ccccc1)N1CCC(CNc2ccncn2)CC1
O=C(OCc1ccccc1)N1CCC(CNc2nccs2)CC1
O=C(OCc1ccccc1)N1CCC(CNc2cnccn2)CC1
O=C(OCc1ccccc1)N1CCC(CNc2ncccn2)CC1
O=C(OCc1ccccc1)N1CCC(CNc2ccccn2)CC1
CCOC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)c2ccccc12
CN(Cc1ccccc1)C(=O)[C@@H](NC(=O)c1cc2cc(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)ccc2n1C)c1ccccc1 |r|
O\C(=C/C(=O)c1cc(Cc2cc(F)cc(F)c2)cn(Cc2ccccc2F)c1=O)C(=O)N1CCN(CC1)c1ccc(cc1)-n1cccc1
CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC |r,t:45|
CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1
c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F
c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)[C@@H]([C@H]3CCCCN3)O
c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F
COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
COc1ccc(cc1)CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(cc5)F
CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)C)/c3ccccc3
CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C
c1ccc2c(c1)NC(=O)N2C3CCN(CC3)CCCC(c4ccc(cc4)F)c5ccc(cc5)F
CN(C)CCOC(c1ccccc1)c1ccccc1C
COC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OCCN(C)Cc1ccccc1 |c:4,9|
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1
CC[C@H](C)[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C
COC(=O)C1=C(C)NC(C)=C(C1c1cccc2nonc12)C(=O)OC(C)C |c:4,9|
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=Cc5c(cno5)C[C@]34C
CC(C)COC[C@H](C[N@@](Cc1ccccc1)c2ccccc2)N3CCCC3
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1)c1nc(no1)C(F)(F)F |r|
CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C
CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl
CCc1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1
Fc1ccc(cc1)C(N1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1
CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cccc4)Cl
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
c1ccc(c(c1)C[N@]2CCc3c(ccs3)C2)Cl
CC1=C(C(C(=C(N1)C)C(=O)OC)c2ccccc2N(=O)=O)C(=O)OC
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO |c:14,t:10|
COCCc1ccc(OCC(O)CNC(C)C)cc1
COCCOC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C |c:7,12|
[H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
CCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)Br)O)Br
CCN(CC)Cc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl
COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-c3cnccc3OC)CC2)C1=O
COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-n3ccnc3)CC2)C1=O
COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-c3cccc(c3)C#N)CC2)C1=O
COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-c3cncc(c3)C#N)CC2)C1=O
COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-c3ccncc3)CC2)C1=O
COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-c3cccnc3)CC2)C1=O
COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-n3cccc3)CC2)C1=O
COc1cccc(c1)N1C(=O)N(Cc2ccccc2F)C2(CCN(Cc3ccc(cc3)-c3cncc(OC)c3)CC2)C1=O
O=C1NC(=O)C2(CCN(Cc3ccc(cc3)-c3cccc(c3)C#N)CC2)N1c1ccccc1
[H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(C)cc(n1)C(O)=O)c1ccccc1C(F)(F)F |r|
Fc1ccc(cc1)C1(CN(C2CCN(Cc3ccccc3)CC2)C(=O)N1)c1ccc(F)cc1
Fc1ccc(cc1)C1(CN(C2CCN(Cc3cccc(F)c3)CC2)C(=O)N1)c1ccc(F)cc1
Fc1ccc(cc1)C1(CN(C2CCN(Cc3cccc(Cl)c3)CC2)C(=O)N1)c1ccc(F)cc1
NC(C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1)c1cccc(Cl)c1 |w:1.0|
NC(C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1)c1ccc(Br)cc1 |w:1.0|
OC(C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1)c1ccc(Br)cc1 |w:1.0|
C[C@H](N)C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1
NC(C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1)c1cccc(Cl)c1 |w:1.0|
C[C@@H](N)C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1
N[C@H](C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1)c1ccccc1
N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1
O[C@@H](C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1)c1ccccc1
OC(C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1)c1ccc(Cl)cc1 |w:1.0|
O=C([C@@H]1Cc2ccccc2CN1)N1CCN(CC1)c1ccc2[nH]ncc2c1
O[C@H](C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1)c1cccc(Cl)c1
O[C@@H](C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1)c1ccccc1
O[C@@H](C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1)c1cccc(Cl)c1
O[C@@H](C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1)c1ccccc1Cl
N[C@@H](C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1)c1ccccc1
O[C@H](C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1)c1ccccc1Cl
CC(C)[C@@H](O)C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1
C[C@H](O)C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1
N[C@H](Cc1ccccc1)C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1
NC(C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1)c1ccc(Br)cc1 |w:1.0|
NC(C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1)c1ccc(Cl)cc1 |w:1.0|
OC(C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1)c1ccc(Br)cc1 |w:1.0|
Cc1cc(Br)cc2[nH]c(nc12)-c1c(N[C@H](CO)Cc2ccccc2)cc[nH]c1=O
CN(C)C(=O)c1cc(C)c2nc([nH]c2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O
Cc1cc(cc2c1[nH]c(n2)C3=C(C=CNC3=O)NCc4ccccn4)n5ccnc5
CNC(=O)c1cc(C)c2nc([nH]c2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O
Cc1c[nH]c(n1)-c1cc(C)c2[nH]c(nc2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O
Cc1cc(cc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)C1=NCCCN1 |t:32|
Cc1cc(cc2nc([nH]c12)-c1c(N[C@H](CO)Cc2ccccc2)cc[nH]c1=O)-n1ccnc1
CNC(=N)c1cc(C)c2nc([nH]c2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O
Cc1cc(cc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)C1=NC(C)(C)CN1 |t:32|
Cc1cccc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O
Cc1cc(cc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)C(=O)NC1CCCCC1
Cc1cc(cc2[nH]c(nc12)-c1c(N[C@H](CO)Cc2ccccc2)cc[nH]c1=O)-c1ccccc1
CC1CNC(=N1)c1cc(C)c2nc([nH]c2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O |c:4|
Cc1cc(cc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)C(=O)NC1CCCC1
Cc1cc(cc2[nH]c(nc12)-c1c(N[C@H](CO)Cc2ccccc2)cc[nH]c1=O)-c1ccc(F)cc1
CN1CCN=C1c1cc(C)c2nc([nH]c2c1)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O |c:4|
Cc1cc(cc2[nH]c(nc12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)C(=O)NC1CC1
COc1ccc(cc1)-c1cc(C)c2nc([nH]c2c1)-c1c(N[C@H](CO)Cc2ccccc2)cc[nH]c1=O
c1coc2c1c(c3c(c2)OC(=O)C=C3)O
CC(C)\C=C\C\C(C)=C\COc1ccc2ccc(=O)oc2c1
CCCC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1N |r|
COc1cc2CCN3C[C@@H]([C@@H](N)C[C@H]3c2cc1OC)c1cccc(C)c1
CN(C)C(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1
FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCOCC1
FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCCCC1
FC(F)(F)c1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NCC1CCOCC1
FC(F)(F)c1nc(Nc2ccc(Cl)cc2Cl)ncc1C(=O)NCC1CCOCC1
Fc1c(Cl)cccc1Nc1ncc(C(=O)NCC2CCOCC2)c(n1)C(F)(F)F
Fc1cc(Cl)ccc1Nc1ncc(C(=O)NCC2CCOCC2)c(n1)C(F)(F)F
FC(F)(F)c1nc(Nc2ccc(Cl)c(Cl)c2)ncc1C(=O)NCC1CCOCC1
Fc1ccc(CNC(=O)c2cnc(Nc3cccc(Cl)c3)nc2C(F)(F)F)cc1
Fc1cc(F)cc(Nc2ncc(C(=O)NCC3CCOCC3)c(n2)C(F)(F)F)c1
Fc1ccc(Cl)cc1Nc1ncc(C(=O)NCC2CCOCC2)c(n1)C(F)(F)F
OC1(CNC(=O)c2cnc(Nc3cccc(Cl)c3)nc2C(F)(F)F)CCCCC1
FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCCC1
FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCC1
C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(cc1)C(O)=O |r|
COc1ccc(COc2cnn(CC(=O)c3ccc(CN(C)C)cc3C)c(=O)c2)nc1
Cc1cc(Nc2ncc(-c3nc(cs3)-c3ccccc3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1 |r|
Cc1cc(Nc2ncc(-c3nc(cs3)-c3ccccc3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1 |r|
COc1cc(Nc2ncc(c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)-c2ccc3ccccc3n2)ccn1 |r|
OC[C@H]1C[C@@H](Nc2nc(Nc3ccnc(OC4CC4)c3)ncc2-c2ccc3ccccc3n2)[C@H](O)[C@@H]1O |r|
CC(C)Oc1cc(Nc2ncc(c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)-c2ccc3ccccc3n2)ccn1 |r|
Cc1cc(Nc2ncc(c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)-c2ccc3ccccc3n2)cc(C)n1 |r|
Cc1cc(Nc2cc(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c(cn2)-c2nc3ccccc3s2)cc(C)n1 |r|
COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N(C)C |r,wU:36.43,wD:9.9,33.36,(6,5,;6,3.46,;4.67,2.69,;3.33,3.46,;2,2.69,;.67,3.46,;-.67,2.69,;-2,3.46,;-.67,1.15,;.67,.38,;.67,-1.16,;-.67,-1.93,;-.67,-3.47,;.67,-4.24,;.67,-5.77,;2,-3.47,;2,-1.93,;2,1.15,;3.33,.38,;4.67,1.15,;6,.38,;7.34,1.15,;8.67,.38,;7.34,2.69,;-2,.38,;-2,-1.16,;-3.33,-1.93,;-4.67,-1.16,;-4.67,.38,;-3.33,1.15,;-6,-1.93,;-6,-3.47,;-7.34,-1.16,;-7.34,.38,;-6,1.15,;-6,2.69,;-7.34,3.46,;-8.67,2.69,;-8.67,1.15,;-7.34,5,;-8.67,5.77,;-6,5.77,)|
COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CCNC(=O)C1 |r,wU:36.43,wD:9.9,33.36,(6,3.85,;6,2.31,;4.67,1.54,;3.33,2.31,;2,1.54,;.67,2.31,;-.67,1.54,;-2,2.31,;-.67,,;.67,-.77,;.67,-2.31,;-.67,-3.08,;-.67,-4.62,;.67,-5.39,;.67,-6.93,;2,-4.62,;2,-3.08,;2,,;3.33,-.77,;4.67,,;6,-.77,;7.34,,;8.67,-.77,;7.34,1.54,;-2,-.77,;-3.33,,;-4.67,-.77,;-4.67,-2.31,;-3.33,-3.08,;-2,-2.31,;-6,-3.08,;-6,-4.62,;-7.34,-2.31,;-7.34,-.77,;-6,,;-6,1.54,;-7.34,2.31,;-8.67,1.54,;-8.67,,;-7.34,3.85,;-8.67,4.62,;-8.67,6.16,;-7.34,6.93,;-6,6.16,;-4.67,6.93,;-6,4.62,)|
COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(nc1)N(C)C[C@H]1CC[C@@H](CC1)N(C)C |r,wU:36.43,wD:9.9,33.36,(-4.01,-2.77,;-4.01,-1.54,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;3.73,-1.38,;2.66,.77,;1.33,1.54,;1.33,3.08,;2.66,3.85,;2.66,5.39,;1.33,6.16,;1.32,7.39,;-.01,5.39,;-0,3.85,;,.77,;-1.33,1.54,;-2.68,.77,;-4.01,1.54,;-4.01,3.08,;-5.08,3.7,;-2.94,3.7,;4,1.54,;4,3.08,;5.33,3.85,;6.67,3.07,;6.66,1.53,;5.33,.77,;8,3.84,;8.01,5.07,;9.34,3.07,;10.67,3.83,;12.01,3.06,;13.34,3.83,;13.34,5.37,;12.01,6.14,;10.68,5.37,;14.68,6.14,;14.68,7.37,;15.74,5.52,)|
COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(nc1)N(C)C[C@H]1CC[C@@H](CC1)N1CN(C)C(=O)C1 |r,wU:36.43,wD:9.9,33.36,(-4.01,-2.77,;-4.01,-1.54,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;3.73,-1.38,;2.66,.77,;1.33,1.54,;1.33,3.08,;2.66,3.85,;2.66,5.39,;1.33,6.16,;1.32,7.39,;-.01,5.39,;-0,3.85,;,.77,;-1.33,1.54,;-2.68,.77,;-4.01,1.54,;-4.01,3.08,;-5.08,3.7,;-2.94,3.7,;4,1.54,;4,3.08,;5.33,3.85,;6.67,3.07,;6.66,1.53,;5.33,.77,;8,3.84,;8.01,5.07,;9.34,3.07,;10.67,3.83,;12.01,3.06,;13.34,3.83,;13.34,5.37,;12.01,6.14,;10.68,5.37,;14.68,6.14,;14.82,7.66,;16.33,7.97,;16.84,9.09,;17.1,6.63,;18.32,6.5,;16.06,5.49,)|
COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(nc1)N(C)C[C@H]1CC[C@@H](CC1)N1CCN(C)C(=O)C1 |r,wU:36.43,wD:9.9,33.36,(12,5,;10.67,5.78,;9.34,5,;8,5.78,;6.67,5,;5.33,5.78,;4,5,;2.67,5.78,;4,3.47,;5.33,2.69,;5.33,1.15,;4,.38,;4,-1.15,;5.33,-1.93,;5.33,-3.47,;6.67,-1.15,;6.67,.38,;6.67,3.47,;8,2.69,;9.34,3.47,;10.67,2.69,;10.67,1.15,;12,.38,;9.34,.38,;2.67,2.69,;2.67,1.15,;1.33,.38,;,1.15,;,2.69,;1.33,3.47,;-1.33,.38,;-1.33,-1.15,;-2.67,1.15,;-4,.38,;-5.33,1.15,;-6.67,.38,;-6.67,-1.15,;-5.33,-1.93,;-4,-1.15,;-8,-1.93,;-9.34,-1.15,;-10.67,-1.93,;-10.67,-3.47,;-12,-4.23,;-9.34,-4.23,;-9.34,-5.78,;-8,-3.47,)|
COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cn1)N(C)C[C@H]1CC[C@@H](CC1)N1CCN(C)C(=O)C1 |r,wU:36.43,wD:9.9,33.36,(6,3.08,;6,1.54,;4.67,.77,;3.33,1.54,;2,.77,;.67,1.54,;-.67,.77,;-2,1.54,;-.67,-.77,;.67,-1.54,;.67,-3.08,;-.67,-3.85,;-.67,-5.39,;.67,-6.16,;.67,-7.7,;2,-5.39,;2,-3.85,;2,-.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;7.34,-.77,;8.67,-1.54,;7.34,.77,;-2,-1.54,;-2,-3.08,;-3.33,-3.85,;-4.67,-3.08,;-4.67,-1.54,;-3.33,-.77,;-6,-3.85,;-6,-5.39,;-7.34,-3.08,;-7.34,-1.54,;-6,-.77,;-6,.77,;-7.34,1.54,;-8.67,.77,;-8.67,-.77,;-7.34,3.08,;-8.67,3.85,;-8.67,5.39,;-7.34,6.16,;-7.34,7.7,;-6,5.39,;-4.67,6.16,;-6,3.85,)|
COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1cnc(cn1)N(C)C[C@H]1CC[C@@H](CC1)N1CCN(C)C(=O)C1 |r,wU:36.43,wD:9.9,33.36,(12,4.23,;10.67,5,;9.34,4.23,;8,5,;6.67,4.23,;5.33,5,;4,4.23,;2.67,5,;4,2.69,;5.33,1.93,;5.33,.38,;4,-.38,;4,-1.93,;5.33,-2.69,;5.33,-4.23,;6.67,-1.93,;6.67,-.38,;6.67,2.69,;8,1.93,;9.34,2.69,;10.67,1.93,;10.67,.38,;12,-.38,;9.34,-.38,;2.67,1.93,;2.67,.38,;1.33,-.38,;,.38,;,1.93,;1.33,2.69,;-1.33,-.38,;-1.33,-1.93,;-2.67,.38,;-4,-.38,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-8,-2.69,;-8,-4.23,;-9.34,-5,;-10.67,-4.23,;-12,-5,;-10.67,-2.69,;-12,-1.93,;-9.34,-1.93,)|
CC(C)Oc1cc2c(cc1OC)CC(=O)N([C@H]2c3ccc(cc3)Cl)c4ccc(cc4)N(C)CC5CCC(CC5)N6CCN(C(=O)C6)C
Oc1cc(cc2c1N=C(Nc1ccccc1Cl)NS2(=O)=O)[N+]([O-])=O |t:8|
OC(=O)COc1ccc(Cl)cc1C1CCCCCC1
Clc1ccc(NC(=O)c2cn[nH]n2)c(Cl)c1
Fc1ccc(cc1)C(=O)N1CCc2nc(COc3cccc(F)c3)oc2C1
Cc1cc(NCc2c(F)ccc(Cl)c2Cl)c2cccc(C(N)=O)c2n1
Cc1cc(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2n1
Cc1cc(NCc2c(C)cccc2Cl)c2cccc(C(N)=O)c2n1
Cc1cc(NCc2c(Cl)cccc2Cl)c2cccc(C(N)=O)c2n1
Cc1cc(NCc2cccc(Cl)c2Cl)c2cccc(C(N)=O)c2n1
Cc1cc(NCc2ccccc2C(F)(F)F)c2cccc(C(N)=O)c2n1
Cc1cccc(c1CNc2cc(nc3c2cccc3C(=O)N)C)C
CN1C(=O)COc2ccc(CN3CCN(CCOc4cccc5nc(C)ccc45)CC3)c(F)c12
CCN1C(=O)COc2ccc(CN3CCN(CCOc4cccc5nc(C)ccc45)CC3)c(F)c12
Cc1ccc2c(OCCN3CCN(Cc4ccc5OCC(=O)N(CCc6ccccc6)c5c4)CC3)cccc2n1
Cc1ccc2c(OCCN3CCN(Cc4ccc5OCC(=O)N(Cc6ccccc6)c5c4)CC3)cccc2n1
CN1C(=O)COc2c(F)cc(CN3CCN(CCOc4cccc5nc(C)ccc45)CC3)cc12
CN1C(=O)COc2ccc(CN3CCN(CCOc4cccc5nc(C)ccc45)CC3)cc12
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccccc1 |r|
C[C@H]1N(CCn2c1nnc2-c1nc(ns1)C(F)(F)F)C(=O)c1ccc(F)cc1 |r|
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(Cl)cc1 |r|
Cc1nsc(n1)-c1nnc2n1CCN(C(=O)c1ccc(F)cc1)C2(C)C
Cc1nsc(n1)-c1nnc2CN(CCn12)C(=O)c1ccc(F)cc1
CC(C)c1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1 |r|
C[C@H]1N(CCn2c1nnc2-c1nc(C)no1)C(=O)c1ccc(F)cc1 |r|
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)cc1 |r|
Cc1nsc(n1)-c1nnc2[C@@H](CCO)N(CCn12)C(=O)c1ccc(F)cc1 |r|
OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(NC2CCN(CC2)S(=O)(=O)Cc2ccccc2)c1
[H][C@@]12CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@]([H])(C1)C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@]3([H])CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@]([H])(C3)C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCCCC2)cc3)C(O)=O)cc1)NS(=O)(=O)C1CC1 |r|
OCc1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O
Cc1cnc(C)n1CC(=O)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O
Fc1cc(ccc1-c1ccc(nc1)C(=O)Cn1ccnc1)N1C[C@H](Cn2ccnn2)OC1=O
Cc1nccn1CC(=O)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O
Fc1cc(ccc1-c1cccnc1)N1C[C@H](Cn2ccnn2)OC1=O
Cc1cn(CC(=O)c2ccc(cn2)-c2ccc(cc2F)N2C[C@H](Cn3ccnn3)OC2=O)cn1
CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1C)C(=O)c1cnc(C)cn1
CN(C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1C)C(=O)C1CCN(CC1)C(C)=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CN(C[C@@H]1c1ccccc1)C(=O)C1CCN(CC1)C(C)=O
CC(=O)N1CCC(CC1)C(=O)N1C[C@H]([C@@H](C1)c1ccc(F)cc1C)c1nc(no1)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
CC(=O)N1CCC(CC1)C(=O)N1C[C@@H]([C@H](C1)c1ccc(F)cc1C)c1noc(n1)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1C)C(=O)C1CCN(CC1)C(C)=O
CC(=O)N1CCC(CC1)C(=O)N1C[C@@H]([C@H](C1)c1ccc(F)cc1C)c1nc(no1)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N |r|
CC(C)C[C@H](NC(=O)[C@@H](C)N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
CC(C)C[C@H](NCCCN)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
CC(C)C[C@H](N(C)CCN)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
CC(C)C[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
CC(C)C[C@H](NCCO)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O)C(F)(F)F
CC(C)C[C@H](NC(=O)CCCN)c1cc(F)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
CC(C)C[C@H](NC(=O)CCN)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
CCN(CC)CCN[C@@H](CC(C)C)c1cc(F)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
CNCC(=O)N[C@@H](CC(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
CC(C)C[C@H](N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
CC(C)C[C@H](NC(=O)CCN)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O)C(F)(F)F
CNCCN[C@@H](CC(C)C)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
CCN(CC)[C@@H](CC(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
CNCC(=O)N[C@@H](CC(C)C)c1cc(F)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O)C(F)(F)F
CC(C)C[C@H](N)c1cc(F)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
CC(C)C[C@H](NC(=O)C(C)(C)N)c1cc(F)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
CC(C)C[C@H](N)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
CC(C)C[C@H](NCC(N)=O)c1cc(F)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
CC(C)C[C@H](NCCCC(O)=O)c1cc(F)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
CC(C)C[C@H](NCCN)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
CC(C)C[C@H](NC(=O)CN)c1cc(F)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
CCN[C@@H](CC(C)C)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
CNCCN[C@@H](CC(C)C)c1cc(F)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
CC(C)C[C@H](NC(=O)[C@@H](C)N)c1cc(F)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
CC(C)C[C@H](NC(=O)CCN)c1cc(F)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
CC(C)C[C@H](NCCCN)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O)C(F)(F)F
CC(C)C[C@H](NCC(O)=O)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O)C(F)(F)F
CC(C)C[C@H](NC(=O)CN(C)C)c1cc(F)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
CNCCC(=O)N[C@@H](CC(C)C)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
CC(C)C[C@H](NC(=O)CCN)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
CC(C)C[C@H](NCCO)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
CC(C)C[C@H](NCCCC(O)=O)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O)C(F)(F)F
CC(C)C[C@H](NCCCN)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
CNCCC(=O)N[C@@H](CC(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
CC(C)C[C@H](NCCN)c1cc(F)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
CC(C)C[C@H](N)c1cccc(F)c1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
CC(C)C[C@H](NCCN(C)C)c1cc(F)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
CC(C)C[C@H](NC(=O)[C@H](C)N)c1cc(F)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
CC(C)C[C@H](NC(=O)CCN(C)C)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
CNCC(=O)N[C@@H](CC(C)C)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
CC(C)C[C@H](NCCN)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O)C(F)(F)F
c1cc(ncc1F)c2cc(ncn2)c3cc(cc(c3)Cl)C#N
Clc1ccc(s1)-c1ccc(\C=C\S(=O)(=O)NC[C@@H]2CCN(C2)C(=O)C2CCN(CC2)c2ccncc2)s1
Clc1ccc(cc1)C1CCN(CC2CCN(CC2)C(=O)\C=C\c2ccc(Cl)c(Cl)c2)CC1
CCn1c(nc2cnc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1ccc(nc1)C#N |r|
CCn1c(nc2cnc(cc12)C1CC1)[C@@H](C)NS(=O)(=O)c1ccc(nc1)C#N |r|
CCn1c(nc2ccc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1cccnc1 |r|
COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@H](NC(=O)OC)c3ccccc3)cc2C(F)(F)F)c(c1)C(F)(F)F)c1ccccc1 |r|
COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(c(F)c1)-c1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)OC)c2ccccc2)cc1F)c1ccccc1 |r|
COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(c(Cl)c1)-c1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)OC)c2ccccc2)cc1Cl)c1ccccc1 |r|
COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc2-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)[C@H](NC(=O)OC)c4ccccc4)cc3C(C)(C)c2c1)c1ccccc1 |r|
COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc2-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)[C@H](NC(=O)OC)c4ccccc4)cc3C(F)(F)c2c1)c1ccccc1 |r|
C[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCN(CC1)C(C)(C)CO
CC(C)(CO)N1CCN(CC1)C(=O)OC1(CC1)[C@H]1CCC[C@@H](C2CC2)N1S(=O)(=O)c1ccc(Cl)cc1
OCCN1CCN(CC1)C(=O)OC1(CC1)[C@H]1CCC[C@@H](C2CC2)N1S(=O)(=O)c1ccc(Cl)cc1
CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCN(CCO)CC1
CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCN(CC1)C(C)(C)CO
CC[C@@H]1C[C@H](C[C@H](COC(=O)N2CCC(CC2)N2CCCCC2)N1S(=O)(=O)c1ccc(Cl)cc1)OC
OCCN1CCN(CC1)C(=O)OC1(CC1)[C@H]1CCC[C@H](N1S(=O)(=O)c1ccc(Cl)cc1)c1cc(F)cc(F)c1
CC(C)[C@@H]1CCC[C@H](COC(=O)N2CCN(CCO)CC2)N1S(=O)(=O)c1ccc(Cl)cc1
CC(C)[C@@H]1CCC[C@H](COC(=O)N2CCC(CC2)N2CCCCC2)N1S(=O)(=O)c1ccc(Cl)cc1
CC[C@@H]1C[C@@H](C[C@H](COC(=O)N2CCN(CCO)CC2)N1S(=O)(=O)c1ccc(Cl)cc1)OC
CC[C@@H]1C[C@H](O)C[C@H](COC(=O)N2CCN(CCO)CC2)N1S(=O)(=O)c1ccc(Cl)cc1
CC(C)(CO)N1CCN(CC1)C(=O)CC1(CC1)[C@H]1CCC[C@@H](C2CC2)N1S(=O)(=O)c1ccc(Cl)cc1
CC(C)(CO)N1CCN(CC1)C(=O)OC1(CC1)[C@H]1CCC[C@H](N1S(=O)(=O)c1ccc(Cl)cc1)c1cc(F)cc(F)c1
CC[C@@H]1C[C@@H](C[C@H](COC(=O)N2CCC(CC2)N2CCCCC2)N1S(=O)(=O)c1ccc(Cl)cc1)OC
CC(C)(CO)N1CCN(CC1)C(=O)CC1(CC1)[C@H]1C[C@@H](O)C[C@@H](C2CC2)N1S(=O)(=O)c1ccc(Cl)cc1
CC[C@@H]1C[C@H](C[C@H](COC(=O)N2CCN(CCO)CC2)N1S(=O)(=O)c1ccc(Cl)cc1)OC
Clc1ccc(cc1)S(=O)(=O)N1[C@@H](COC(=O)N2CCC(CC2)N2CCCCC2)CCC[C@H]1C1CC1
CC[C@@H]1C[C@H](O)C[C@H](COC(=O)N2CCC(CC2)N2CCCCC2)N1S(=O)(=O)c1ccc(Cl)cc1
CC(C)(CO)N1CCN(CC1)C(=O)OC1(CC1)[C@H]1C[C@@H](O)C[C@@H](C2CC2)N1S(=O)(=O)c1ccc(Cl)cc1
OCCN1CCN(CC1)C(=O)OC[C@H]1CCC[C@@H](C2CC2)N1S(=O)(=O)c1ccc(Cl)cc1
CC(C)[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCN(CC1)C(C)(C)CO
CC[C@@H]1C[C@@H](O)C[C@H](COC(=O)N2CCN(CCO)CC2)N1S(=O)(=O)c1ccc(Cl)cc1
OC[C@@H](N1CCCn2cc(cc2C1=O)-c1ccnc(N[C@@H]2C[C@H](O)[C@@H](F)C2)n1)c1ccccc1 |r|
CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1F |r|
CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1 |r|
CNCCC(=O)N[C@@H](C(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1 |r|
CNCCN[C@@H](C(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1F |r|
CC(C)[C@H](NC(=O)CCN)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1 |r|
CNCC(=O)N[C@@H](C(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1F |r|
CC(C)[C@H](NC(=O)CCN(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1C |r|
CC(C)[C@H](N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1 |r|
CN(C)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(CC(=O)Nc4nccs4)CC3)c2[nH]1
Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CCN1CCN(CC(=O)N2CCOCC2)CC1)C(C)(C)C(=O)N1C2CCC1CC2 |THB:36:38:40.41:43.44|
Cc1cc(C)cc(c1)-c1[nH]c2sc(cc2c1CCN1CCN(CC(O)CN2CCNCC2)CC1)C(C)(C)C(=O)N1C2CCC1CC2 |w:23.26,THB:37:39:41.42:44.45|
CC(=O)N1CCN(CC(O)CN2CCN(CCc3c([nH]c4sc(cc34)C(C)(C)C(=O)N3C4CCC3CC4)-c3cc(C)cc(C)c3)CC2)CC1 |w:8.8,THB:28:30:32.33:35.36|
[H][C@]12C[C@](CCN(C)CCCc3nc4cccc(OC)c4[nH]3)(OC(=O)C(C)C)[C@]([H])(CCC1)c1ccccc21 |r,TLB:34:33:3.2:30.32.31,22:3:38.33:30.32.31,THB:37:38:3.2:30.32.31,4:3:38.33:30.32.31|
COc1cc(ncc1C#N)[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
CN(Cc1nc(CC2(CC2)[C@H]2CCC[C@@H](C3CC3)N2S(=O)(=O)c2ccc(Cl)cc2)no1)C(C)(C)CO
CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(Cc2nc(CN3CCCC3)no2)CC1
CCCC1(O)CCN(CC1)C(=O)CC1(CC1)[C@H]1CCC[C@@H](CC)N1S(=O)(=O)c1ccc(Cl)cc1
CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC(=O)N2CC3CCC(C2)N3C)CC1 |w:27.28,24.25,TLB:20:22:29:25.26|
CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC(=O)N2CC3CCC(C2)N3CCO)CC1 |w:24.25,27.29,TLB:20:22:29:25.26|
CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(Cc2nc(C)no2)CC1
Clc1ccc(cc1)S(=O)(=O)N1[C@@H](CCC[C@@H]1C1(CC(=O)N2CCN3CCCC[C@H]3C2)CC1)C1CC1
OCCN1C2CCC1CN(C2)C(=O)CC1(CC1)[C@H]1CCC[C@@H](C2CC2)N1S(=O)(=O)c1ccc(Cl)cc1 |w:4.11,7.8,THB:11:9:3:5.6|
CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC(=O)N2CCC(CC2)N2CCCCC2)CC1
CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(Cc2noc(CN3CCOCC3)n2)CC1
CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC(N)=O)CC1
CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(Cc2nc(CN(C)C(C)(C)CO)no2)CC1
Clc1ccc(cc1)S(=O)(=O)N1[C@@H](CCC[C@@H]1C1(CC(=O)N2CCC3(CCN3)CC2)CC1)C1CC1
O[C@@H]1CCN(Cc2noc(CC3(CC3)[C@H]3CCC[C@@H](C4CC4)N3S(=O)(=O)c3ccc(Cl)cc3)n2)C1
CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC(=O)N2CCC[C@H]2CO)CC1
CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC(=O)N2CCNCC2)CC1
Clc1ccc(cc1)S(=O)(=O)N1[C@@H](CCC[C@@H]1C1(Cc2nc(CN3CCCC3)no2)CC1)C1CC1
CN(Cc1noc(CC2(CC2)[C@H]2CCC[C@@H](C3CC3)N2S(=O)(=O)c2ccc(Cl)cc2)n1)C(C)(C)CO
CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC(=O)N2CCC3(CCN3)CC2)CC1
CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC(=O)N2CCN(CC2)C(C)(C)CO)CC1
CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(Cc2noc(CN(C)C(C)(C)CO)n2)CC1
CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC(=O)N2CCN3CCCC[C@H]3C2)CC1
CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(Cc2noc(C)n2)CC1
CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC(=O)N2CC[C@@H](O)C2)CC1
CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC(=O)N2CCCCC2)CC1
Clc1ccc(cc1)S(=O)(=O)N1[C@@H](CCC[C@@H]1C1(Cc2noc(CN3CCCC3)n2)CC1)C1CC1
CC(C)C[C@H](NC(=O)CCN(C)C)c1cc(Cl)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1
C[C@H](C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)O |t:13|
COc1cc2CC[n+]3cc4c(OC)c(O)ccc4cc3-c2cc1O
C[C@@]12C[C@@H](OC(=O)[C@@H]1CC[C@]1(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2CC=CC1=O)c1ccoc1 |r,c:29|
C[C@@]12C[C@@H](OC(=O)[C@@H]1[C@@H](O)C[C@]1(C)[C@H]2[C@@H]2OC(=O)[C@@]1(O)[C@H]1O[C@@H]21)c1ccoc1 |r,THB:21:20:13.11:16.15,21:22:13.11:16.15|
COc1cc2CC[n+]3cc4c(OC)c(OC)ccc4cc3-c2cc1O
C[C@@]12C[C@@H](OC(=O)C1=CC[C@]1(C)[C@H]2[C@@H]2OC(=O)[C@@]1(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1O[C@@H]21)c1ccoc1 |r,c:8,THB:31:30:12.10:15.14,31:32:12.10:15.14|
C[C@@]12[C@H]3C[C@]4(O)C(=O)O[C@@H](C[C@@]4(C)[C@@H]1CC=C[C@@]2(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O3)c1ccoc1 |r,c:17|
COc1cc-2c(CC[n+]3cc4c(OC)c(OC)ccc4cc-23)cc1O
C[C@H](C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)O |t:13|
C[C@@]12[C@H]3C[C@]4(O)C(=O)O[C@@H](C[C@@]4(C)[C@@H]1CC=C[C@]2(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O3)c1ccoc1 |c:17|
C[C@@]12C[C@@H](OC(=O)C1=CC[C@]1(C)[C@H]2[C@@H]2OC(=O)[C@@]1(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=C2)c1ccoc1 |r,c:8,34|
[O-][N+](=O)c1ncn(CC(=O)Nc2cccc(c2)-c2ccccc2)n1
COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)N(C)S(C)(=O)=O)c1
Oc1ncccc1C(=O)NCCCCNC(=O)c1cc(on1)-c1ccccc1
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|
COC(=O)C(Cn1ccnc1)NC(=O)c1c(C)nn(c1Cl)-c1ccccc1
CC(C)OC(=O)C(Cn1ccnc1)NC(=O)c1c(C)nn(c1Cl)-c1ccccc1
COc1ccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c(CN(C)C)c1
Cc1cc(C)n(n1)-c1cc(NC(=O)COc2cc(C)nc(C)c2)nc(n1)-c1ccc(C)o1
CN(C)Cc1cccc(OCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)c1
CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(c(s4)C)C)C(=O)N(C5CC5)C6CC6
COc1cccc(c1F)-c1cn(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](N)c2ccccc2)c1=O |r|
CS(=O)(=O)c1cccc(F)c1Cn1cc(-c2ccccc2Cl)c(=O)n(C[C@H](NCCCC(O)=O)c2ccccc2)c1=O |r|
OC(=O)CCCN[C@@H](Cn1c(=O)c(cn(Cc2c(F)cccc2F)c1=O)-c1ccccc1Cl)c1ccccc1 |r|
OC(=O)CCCN[C@@H](Cn1c(=O)c(cn(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1ccccc1Cl)c1ccccc1 |r|
COc1cccc(c1F)-c1cn(Cc2c(F)cccc2S(C)(=O)=O)c(=O)n(C[C@H](NCCCC(O)=O)c2ccccc2)c1=O |r|
COc1cccc(c1F)-c1cn(Cc2c(F)cccc2F)c(=O)n(C[C@H](NCCCC(O)=O)c2ccccc2)c1=O |r|
COc1cccc(c1F)-c1cn(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](NCCCC(O)=O)c2ccccc2)c1=O |r|
COC(=O)CCCN[C@@H](Cn1c(=O)c(cn(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1ccccc1Cl)c1ccccc1 |r|
COC(=O)CCCN[C@@H](Cn1c(=O)c(cn(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1cccc(OC)c1F)c1ccccc1 |r|
N[C@@H](Cn1c(=O)c(cn(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1ccc(CNCCC(O)=O)cc1)c1ccccc1 |r|
N[C@@H](Cn1c(=O)c(cn(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1ccc(CNCC(O)=O)cc1)c1ccccc1 |r|
N[C@@H](Cn1c(=O)c(cn(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1ccc(CSCC(O)=O)cc1)c1ccccc1 |r|
N[C@@H](Cn1c(=O)c(cn(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1ccc(COCC(O)=O)cc1)c1ccccc1 |r|
CCOC(=O)CNCc1ccc(cc1)-c1cn(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](N)c2ccccc2)c1=O |r|
NCC(=O)OCc1ccc(cc1)-c1cn(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](N)c2ccccc2)c1=O |r|
N[C@@H](Cn1c(=O)c(cn(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1ccc(COC(=O)CO)cc1)c1ccccc1 |r|
N[C@@H](Cn1c(=O)c(cn(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1ccc(COC(=O)C2CC2)cc1)c1ccccc1 |r|
NCc1ccc(cc1)-c1cn(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](N)c2ccccc2)c1=O |r|
N[C@@H](Cn1c(=O)c(cn(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1ccc(CO)cc1)c1ccccc1 |r|
N[C@@H](Cn1c(=O)c(cn(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1ccccc1)c1ccccc1 |r|
CS(=O)(=O)c1cccc(F)c1Cn1cc(-c2ccccc2Cl)c(=O)n(C[C@H](N)c2ccccc2)c1=O |r|
N[C@@H](Cn1c(=O)c(cn(Cc2c(F)cccc2F)c1=O)-c1ccccc1Cl)c1ccccc1 |r|
N[C@@H](Cn1c(=O)c(cn(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1ccccc1Cl)c1ccccc1 |r|
COc1cccc(c1F)-c1cn(Cc2c(F)cccc2S(C)(=O)=O)c(=O)n(C[C@H](N)c2ccccc2)c1=O |r|
COc1cccc(c1F)-c1cn(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O |r|
OC(=O)c1cc2occc2[nH]1
c1csc2c1[nH]c(c2)C(=O)O
Nc1nccc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)c1C#CCO
NCC#Cc1c(N)nccc1Oc1ccc(NC(=O)NC(=O)Cc2ccc(F)cc2)cc1F
Nc1nccc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)c1C#C
Nc1nccc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)c1C#Cc1ccccn1
CN(C)CC#Cc1c(N)nccc1Oc1ccc(NC(=O)NC(=O)Cc2ccc(F)cc2)cc1F
CN(CC(=O)N1CCCC(C1CN1CCCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1
COc1cccc(c1)-c1ccc(cc1)C(CN1CCOCC1)N(C)C(=O)CN1C(=O)COc2cc(Cl)c(Cl)cc12
CN(C(CN1CCOCC1)c1ccc(cc1)-c1ccc(NC(C)=O)cc1)C(=O)CN1C(=O)COc2cc(C)c(C)cc12
CNC(=O)c1cccc(c1)-c1ccc(cc1)C(CN1CCOCC1)N(C)C(=O)Cn1c2cc(Cl)c(Cl)cc2ncc1=O
CN(C(CN1CCCC1)c1ccc(cc1)-c1cccc(c1)C(N)=O)C(=O)CN(CC#N)c1ccc(Cl)c(Cl)c1
COCCN(CC(=O)N(C)C(CN1CCCC1)c1ccc(cc1)-c1ccc(cc1)C(N)=O)c1ccc(Cl)c(Cl)c1
CNC(=O)c1cccc(c1)-c1ccc(cc1)C(CN1CCOCC1)N(C)C(=O)Cn1c2cc(C)c(C)cc2ncc1=O
CN([C@H](CN1CCOCC1)c1ccc(cc1)-c1ccccc1)C(=O)CN1C(=O)COc2cc(Cl)c(Cl)cc12 |r|
CN([C@@H](CN1CCOCC1)c1ccc(cc1)-c1ccccc1)C(=O)CN1C(=O)COc2cc(Cl)c(Cl)cc12 |r|
CN(C(CN1CCOCC1)c1ccc(cc1)-c1ccccc1)C(=O)CN1C(=O)COc2cc(Cl)c(Cl)cc12
CN(CC(=O)N(C)C(CN1CCOCC1)c1ccc(cc1)-c1ccccc1)c1ccc(Cl)c(Cl)c1
CN(CC(=O)N(C)C(CN1CCCC1)c1ccc(cc1)-c1ccccc1)c1ccc(Cl)c(Cl)c1
CN(CC(=O)N(C)C(CN1CCCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1
C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cccnc1F |r|
Cn1c(nc2cc(ccc12)C(F)(F)F)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)[C@H]1CC[C@@H](CC1)C(C)(C)C |r,wU:30.33,wD:33.40,(-5.67,-48.6,;-4.89,-47.26,;-3.47,-46.67,;-3.59,-45.14,;-5.09,-44.78,;-5.82,-43.43,;-7.36,-43.39,;-8.16,-44.71,;-7.42,-46.06,;-5.89,-46.09,;-8.1,-42.04,;-8.88,-40.7,;-6.76,-41.28,;-9.43,-42.81,;-2.14,-47.45,;-2.14,-48.99,;-.81,-49.77,;.52,-49,;1.84,-49.78,;1.84,-51.32,;.49,-52.08,;-.83,-51.3,;3.17,-52.1,;3.16,-53.64,;4.5,-51.33,;5.83,-52.11,;6.35,-53.56,;7.89,-53.52,;8.33,-52.05,;7.06,-51.17,;-.81,-46.69,;-.8,-45.15,;.54,-44.39,;1.87,-45.17,;1.85,-46.71,;.52,-47.47,;3.21,-44.41,;4.53,-43.63,;3.98,-45.75,;2.45,-43.08,)|
OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)-c1cccnc1)NC1=C(Br)C(=O)C11CCCCC1 |r,c:31|
OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)C1(CC1)C(F)(F)F)NC1=C(Br)C(=O)C11CCCCC1 |r,c:32|
CC(C)c1nc2cccnc2n1-c1ccc(C[C@H](NC2=C(Br)C(=O)C22CCCCC2)C(O)=O)cc1 |r,c:21|
CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4cc(n(n4)C)C)C(=O)N(C5CC5)C6CC6
COC(C)(C)c1cncc(c1)-c1ccc-2c(CCc3nnc(C)n-23)c1
Cc1nnc2CCc3cc(ccc3-n12)-c1cncc(c1)[C@](C)(O)C(F)(F)F |r|
C1Cc2cc(ccc2-n2c1nnc2-c1ccccc1)-c1cccnc1
COC(=O)c1cncc(c1)-c1ccc-2c(CCc3nnc(C)n-23)c1
[H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1NS(=O)(=O)CC)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11|
COCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(cc1F)S(C)(=O)=O |r|
CN1CCN(CC1)C(=O)N1CCN(CC1)C1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCC(CC1)N1CCN(CC1)C(=O)N1CCOCC1 |r|
Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCC(CC1)N1CCN(CC1)C(=O)OCCO |r|
COCCOC(=O)N1CCN(CC1)C1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
COC(=O)N1CCN(CC1)C1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCC(CC1)N1CCN(CC1)C(=O)C1CC1 |r|
COCCOCC(=O)N1CCN(CC1)C1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
COCC(=O)N1CCN(CC1)C1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
CC(=O)N1CCN(CC1)C1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
CN1CCN(CC1)C1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCC(CC1)N1C[C@@H]2C[C@@H]1CO2 |r,THB:31:34:39.40:37|
C[C@H]1CN(C[C@@H](C)O1)C1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCC(CC1)N1CCOCC1 |r|
COCCN(CCOC)C1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
COC(=O)NC1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCC(CC1)NC(=O)C1CC1 |r|
Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCC(CC1)N1CCCC1 |r|
CN(C)C1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
CNC1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCC2(CC1)OCCO2 |r|
Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCC(CC1)OCCO |r|
COCCOC1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
COC1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCC(O)CC1 |r|
C[C@@H]1CN(CCN1C(=O)Oc2cc3c(cc2OC)ncnc3Nc4cccc(c4F)Cl)C
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCOCC1
CC(=O)N1CCN(CC1)c1ccc(OC[C@H]2CO[C@](C)(O2)c2ccc(F)cc2F)cc1 |r|
Cc1nc2cccc(c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F
Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CC1
CS(=O)(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
CC(C)C(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
CCOC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 |r|
CC1OC(Cc2ccc(Cl)c(Oc3cc(Cl)cc(c3)C#N)c2F)=NNC1=O |c:24|
Cc1ccc(Cc2n[nH]c(=O)n2C)c(F)c1Oc1cc(Cl)cc(c1)C#N
CC(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1 |r|
Cc1cc(Cc2ccc(Cl)c(Oc3cc(F)cc(c3)C#N)c2F)n[nH]c1=O
Clc1cccc(c1)C(=O)c1cc(Cc2ccc(=O)[nH]n2)cc2ccoc12
Clc1cccc(Oc2cc(Cc3ccc(=O)[nH]n3)cc3ccoc23)c1
Clc1cccc(Cc2cc(Cc3ccc(=O)[nH]n3)cc3ccoc23)c1
Cc1cn(cc1CN1CC[C@@H](O)C1)-c1ccnc(Nc2cc(C)cc(C)c2)n1 |r|
Cc1cn(cc1CN1CC[C@@H](O)C1)-c1ccnc(Nc2cc(C)c(OCCO)c(C)c2)n1 |r|
CC(=O)NC1CCCc2c1cncc2-c1ccc(cc1)C#N
CCC(=O)NC1CCCc2c1cncc2-c1ccc(cc1)C#N
CC(C)C(=O)NC1CCCc2c1cncc2-c1ccc(cc1)C#N
CCC(=O)N[C@@H]1CCCc2c1cncc2-c1ccc(cc1)C#N |r|
CCC(=O)N[C@H]1CCCc2c1cncc2-c1ccc(cc1)C#N |r|
OCCC1Oc2ccc(NC(=O)C3CCN(CC3)c3cc(F)c(F)c(F)c3)cc2NC1=O
N[C@@H](Cn1c(=O)c(cn(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1cccc(OCCCCC(O)=O)c1F)c1ccccc1 |r|
CN(C)[C@@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1cccc(OCCCCC(O)=O)c1F)c1ccccc1 |r,wD:3.2,(-6.99,-28.14,;-5.66,-27.37,;-5.67,-28.91,;-5.66,-25.83,;-4.33,-25.06,;-2.99,-25.82,;-1.67,-25.04,;-1.67,-23.5,;-.34,-25.82,;-.34,-27.36,;1,-28.13,;-1.67,-28.12,;-1.67,-29.66,;-.96,-31.03,;.57,-31.01,;1.32,-29.67,;1.35,-32.33,;.6,-33.68,;-.95,-33.7,;-1.73,-32.37,;-3.27,-32.38,;-4.81,-32.38,;-3.26,-33.92,;-3.27,-30.84,;-2.99,-27.36,;-4.33,-28.13,;.99,-25.06,;2.32,-25.84,;3.66,-25.07,;3.67,-23.53,;2.32,-22.76,;2.32,-21.22,;3.66,-20.45,;3.66,-18.91,;4.99,-18.14,;4.99,-16.6,;6.32,-15.82,;7.66,-16.59,;6.32,-14.28,;.99,-23.53,;-.34,-22.76,;-7,-25.06,;-6.99,-23.53,;-8.33,-22.76,;-9.66,-23.53,;-9.65,-25.08,;-8.32,-25.84,)|
CN[C@@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1cccc(OCCCCC(O)=O)c1F)c1ccccc1 |r,wD:2.1,(29.55,-7.07,;30.88,-6.3,;30.88,-4.76,;32.21,-3.99,;33.55,-4.75,;34.87,-3.97,;34.87,-2.43,;36.2,-4.75,;36.2,-6.29,;37.54,-7.06,;34.87,-7.05,;34.87,-8.59,;34.09,-9.92,;34.92,-11.21,;36.46,-11.13,;34.23,-12.58,;32.68,-12.66,;31.85,-11.36,;32.55,-9.99,;31.72,-8.7,;30.9,-7.39,;30.42,-9.52,;33.02,-7.87,;33.55,-6.29,;32.21,-7.06,;37.53,-3.99,;38.86,-4.77,;40.2,-4,;40.21,-2.46,;38.86,-1.69,;38.86,-.15,;40.2,.62,;40.2,2.16,;41.53,2.93,;41.53,4.47,;42.86,5.25,;44.2,4.48,;42.86,6.79,;37.53,-2.46,;36.2,-1.69,;29.54,-3.99,;29.55,-2.46,;28.21,-1.69,;26.88,-2.46,;26.89,-4.01,;28.22,-4.77,)|
Cc1c(-c2cccc(OCCCCC(O)=O)c2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F |r,wD:22.23,(32.43,-44.71,;31.09,-43.94,;31.09,-42.4,;32.42,-41.63,;33.75,-42.41,;35.09,-41.65,;35.1,-40.11,;33.75,-39.33,;33.75,-37.79,;35.09,-37.02,;35.09,-35.48,;36.42,-34.71,;36.42,-33.17,;37.75,-32.4,;39.09,-33.17,;37.75,-30.86,;32.42,-40.1,;31.09,-39.33,;29.76,-41.62,;29.76,-40.08,;28.44,-42.4,;27.1,-41.63,;25.77,-42.4,;25.77,-43.94,;24.43,-41.64,;24.44,-40.1,;23.1,-39.33,;21.77,-40.11,;21.78,-41.66,;23.11,-42.42,;28.44,-43.94,;27.1,-44.71,;29.76,-44.7,;29.76,-46.24,;28.98,-47.57,;29.81,-48.85,;31.35,-48.77,;29.12,-50.22,;27.57,-50.3,;26.74,-49.01,;27.44,-47.64,;26.61,-46.34,;25.79,-45.04,;25.31,-47.17,;27.91,-45.51,)|
Cc1c(-c2cccc(OCCCCCC(O)=O)c2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F |r,wD:23.24,(33.36,-44.3,;32.03,-43.53,;32.03,-41.99,;33.36,-41.23,;34.69,-42.01,;36.02,-41.24,;36.03,-39.7,;34.69,-38.93,;34.69,-37.39,;36.02,-36.62,;36.02,-35.08,;37.35,-34.31,;37.35,-32.77,;38.68,-31.99,;38.68,-30.45,;40.02,-29.68,;37.35,-29.68,;33.36,-39.7,;32.02,-38.93,;30.7,-41.21,;30.7,-39.67,;29.37,-41.99,;28.03,-41.23,;26.7,-42,;26.71,-43.54,;25.37,-41.23,;25.37,-39.7,;24.03,-38.93,;22.7,-39.7,;22.71,-41.25,;24.05,-42.01,;29.37,-43.53,;28.04,-44.3,;30.7,-44.29,;30.7,-45.83,;29.91,-47.16,;30.75,-48.45,;32.28,-48.37,;30.05,-49.82,;28.5,-49.9,;27.67,-48.6,;28.37,-47.23,;27.54,-45.94,;26.72,-44.63,;26.24,-46.76,;28.84,-45.11,)|
Cc1c(-c2cccc(OCCCC(O)=O)c2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F |r|
Cc1c(-c2cccc(OCCCCC(O)=O)c2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F |r|
N[C@@H](Cn1c(=O)c(cn(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1cccc(OCCCCCC(O)=O)c1F)c1ccccc1 |r|
CN[C@@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1cccc(OCCC(C)(C)CC(O)=O)c1F)c1ccccc1 |r,wD:2.1,(12.04,-31.6,;13.37,-30.82,;13.37,-29.28,;14.7,-28.51,;16.04,-29.28,;17.37,-28.5,;17.37,-26.96,;18.7,-29.28,;18.7,-30.82,;20.03,-31.59,;17.37,-31.58,;17.37,-33.12,;16.58,-34.45,;17.42,-35.73,;18.95,-35.65,;16.72,-37.1,;15.17,-37.18,;14.34,-35.88,;15.04,-34.52,;14.21,-33.22,;13.39,-31.92,;12.91,-34.05,;15.51,-32.39,;16.04,-30.82,;14.71,-31.59,;20.03,-28.51,;21.36,-29.29,;22.69,-28.53,;22.7,-26.98,;21.36,-26.21,;21.36,-24.67,;22.69,-23.9,;22.69,-22.36,;24.02,-21.59,;24.8,-22.92,;23.24,-20.26,;25.35,-20.81,;26.69,-21.56,;26.71,-23.1,;28.02,-20.78,;20.03,-26.98,;18.69,-26.21,;12.03,-28.52,;12.04,-26.98,;10.7,-26.21,;9.37,-26.99,;9.38,-28.54,;10.71,-29.29,)|
CN[C@@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1cccc(OCCCOCC(O)=O)c1F)c1ccccc1 |r,wD:2.1,(-8.75,-49.23,;-7.42,-48.46,;-7.42,-46.92,;-6.09,-46.14,;-4.75,-46.91,;-3.42,-46.13,;-3.42,-44.59,;-2.09,-46.91,;-2.09,-48.45,;-.76,-49.22,;-3.42,-49.21,;-3.42,-50.75,;-4.21,-52.08,;-3.37,-53.36,;-1.84,-53.28,;-4.07,-54.73,;-5.62,-54.81,;-6.45,-53.52,;-5.75,-52.15,;-6.58,-50.85,;-7.4,-49.55,;-7.88,-51.68,;-5.28,-50.03,;-4.75,-48.45,;-6.08,-49.22,;-.76,-46.15,;.57,-46.92,;1.9,-46.16,;1.91,-44.62,;.57,-43.84,;.57,-42.3,;1.9,-41.53,;1.9,-39.99,;3.23,-39.22,;3.23,-37.68,;4.56,-36.91,;5.9,-37.68,;5.9,-39.22,;7.23,-36.91,;-.76,-44.61,;-2.1,-43.84,;-8.76,-46.15,;-8.75,-44.61,;-10.09,-43.85,;-11.43,-44.62,;-11.42,-46.17,;-10.08,-46.93,)|
CN[C@@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1cccc(OCCOCC(O)=O)c1F)c1ccccc1 |r,wD:2.1,(11.14,-32.73,;12.47,-31.95,;12.47,-30.41,;13.8,-29.64,;15.14,-30.4,;16.46,-29.63,;16.46,-28.09,;17.79,-30.4,;17.79,-31.94,;19.13,-32.72,;16.46,-32.71,;16.46,-34.25,;15.68,-35.58,;16.51,-36.86,;18.05,-36.78,;15.82,-38.23,;14.27,-38.31,;13.44,-37.01,;14.14,-35.64,;13.31,-34.35,;12.49,-33.04,;12.01,-35.17,;14.61,-33.52,;15.14,-31.94,;13.8,-32.72,;19.12,-29.64,;20.45,-30.42,;21.79,-29.65,;21.8,-28.11,;20.45,-27.34,;20.45,-25.8,;21.79,-25.03,;21.79,-23.49,;23.12,-22.72,;23.12,-21.18,;24.45,-20.41,;25.79,-21.17,;24.45,-18.86,;19.12,-28.11,;17.79,-27.34,;11.13,-29.65,;11.14,-28.11,;9.8,-27.34,;8.47,-28.11,;8.48,-29.66,;9.81,-30.42,)|
CN[C@@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1cccc(OCCCNCC(O)=O)c1F)c1ccccc1 |r,wD:2.1,(-8.75,-49.23,;-7.42,-48.46,;-7.42,-46.92,;-6.09,-46.14,;-4.75,-46.91,;-3.42,-46.13,;-3.42,-44.59,;-2.09,-46.91,;-2.09,-48.45,;-.76,-49.22,;-3.42,-49.21,;-3.42,-50.75,;-4.21,-52.08,;-3.37,-53.36,;-1.84,-53.28,;-4.07,-54.73,;-5.62,-54.81,;-6.45,-53.52,;-5.75,-52.15,;-6.58,-50.85,;-7.4,-49.55,;-7.88,-51.68,;-5.28,-50.03,;-4.75,-48.45,;-6.08,-49.22,;-.76,-46.15,;.57,-46.92,;1.9,-46.16,;1.91,-44.62,;.57,-43.84,;.57,-42.3,;1.9,-41.53,;1.9,-39.99,;3.23,-39.22,;3.23,-37.68,;4.56,-36.91,;5.9,-37.68,;5.9,-39.22,;7.23,-36.91,;-.76,-44.61,;-2.1,-43.84,;-8.76,-46.15,;-8.75,-44.61,;-10.09,-43.85,;-11.43,-44.62,;-11.42,-46.17,;-10.08,-46.93,)|
Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@@H](c2cccc(F)c2)c2ccc3[nH]c(C)nc3c2)c(Cl)c1 |r|
Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@@H](c2cccc(F)c2)c2nc3c(F)ccc(C)c3c(=O)[nH]2)c(Cl)c1 |r|
COc1cc2nc([nH]c2cc1Cl)[C@@H](CNC(=O)c1c(Cl)cc(cc1Cl)-n1cnc(C)n1)c1cccc(F)c1 |r|
Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@H](c2nc3c(C)cc(Cl)cc3[nH]2)c2cccc(F)c2)c(Cl)c1 |r|
Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@H](c2nc3ccc(Cl)cc3[nH]2)c2cccc(F)c2)c(Cl)c1 |r|
COc1ccc2cc(ccc2c1)-c1cnccc1N
COc1ccc2cc(ccc2c1)-c1cncc2ccccc12
COc1ccc2cc(ccc2c1)-c1cncc(c1)C(C)=O
COc1ccc2cc(ccc2c1)-c1cncc(OC)c1
CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C1CCCC1 |r|
CC(C)[C@](C)(NCc1ccc2ncccc2c1)c1cn(nn1)C(CCS(C)(=O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r|
CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C(C)C |r|
CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccn2nccc2n1)C(C)C |r|
CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccn2nccc2n1)C1CCCC1 |r|
CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncsc2c1)C(C)C |r|
C[C@](NCc1ccc2ncsc2c1)(C1CCCC1)c1cn(nn1)C(CCS(C)(=O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r|
COc1ccc(cc1)C(=O)c1c(C)n(Cc2cccc(O[C@@H](C)C(O)=O)c2)c2ncccc12 |r|
CS(=O)(=O)c1ccc(OCC2CC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C#N
Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)c(Cl)c1
Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1
Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccncc3C2=O)c(Cl)c1
FC(F)(F)c1coc(NC(=O)C2c3ccccc3Oc3ccccc23)n1
Clc1cccc2C(=O)N(C(=O)c12)c1ccc(NC(=O)c2ncccc2Cl)cc1Cl
[H][C@@]12COc3c(F)ccc(F)c3[C@@]1(CCCC2(CO)CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
Fc1ccc(F)c2c1OC[C@H]1[C@]3(CCOC3)CCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1 |r|
Fc1ccc(F)c2c1OC[C@H]1[C@@]3(CCOC3=O)CCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1 |r|
Fc1ccc(F)c2c1OC[C@H]1C3(CCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1)CCS(=O)(=O)CC3 |r|
Fc1ccc(F)c2c1OCC1[C@@]3(CCN(C3)S(=O)(=O)C(F)(F)F)CCCC21S(=O)(=O)c1ccc(Cl)cc1 |r|
[H][C@@]12COc3c(F)ccc(F)c3[C@@]1(CCCC21COP(C)(=O)OC1)S(=O)(=O)c1ccc(Cl)cc1 |r|
[H][C@@]12COc3c(F)ccc(F)c3[C@@]1(CCC[C@]21CCOP(C)(=O)OC1)S(=O)(=O)c1ccc(Cl)cc1 |r|
Fc1ccc(F)c2c1OC[C@H]1C[C@@H](CC[C@@]21S(=O)(=O)c1ccc(Cl)cc1)NS(=O)(=O)C(F)(F)F |r|
[H][C@@]12COc3c(F)ccc(F)c3[C@@]1(CCO[C@H]2CNS(=O)(=O)C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 |r|
c1cc(ccc1S(=O)(=O)C2(CCC(CC2)NS(=O)(=O)C(F)(F)F)c3cc(ccc3F)F)Cl
O=S(=O)(c1ccsc1)n1ccc2cc3CCNCCc3cc12
O=S(=O)(c1ccccc1)n1ccc2cc3CCNCCc3cc12
Clc1ccccc1S(=O)(=O)n1ccc2cc3CCNCCc3cc12
Clc1cccc(c1)S(=O)(=O)n1ccc2cc3CCNCCc3cc12
O=S(=O)(c1ccccn1)n1ccc2cc3CCNCCc3cc12
Clc1cn(c2cc3CCNCCc3cc12)S(=O)(=O)c1ccccc1
Clc1cn(c2cc3CCNCCc3cc12)S(=O)(=O)c1cccc(Cl)c1
CN1CCc2cc3ccn(c3cc2CC1)S(=O)(=O)c1cccc(Cl)c1
Cn1cc(c2cc3CCNCCc3cc12)S(=O)(=O)c1ccccc1
COc1cccc(c1)S(=O)(=O)n1ccc2cc3CCNCCc3cc12
Clc1ccc(cc1)C(NC(=O)CNC(=O)CCc1ccccc1)c1ccccc1
Clc1ccc(cc1)C(NC(=O)CNC(=O)Cc1ccccc1)c1ccccc1
Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccccc1)c1ccccc1
Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(cc1)C#N)c1ccccc1
Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccncc1)c1ccccc1
Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccsc1)c1ccccc1
Clc1ccc(cc1)C(NC(=O)CNC(=O)C1CCCC1)c1ccccc1
CC(=O)NCC(=O)NC(c1ccccc1)c1ccc(Cl)cc1
Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1ccccc1
Cc1ccccc1C(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1
Cc1cccc(c1)C(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1
Cc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1
Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1cccc(Cl)c1
Fc1ccc(cc1)C(=O)NCC(=O)NC(c1cccc(F)c1)c1cccc(F)c1
Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1cccc(c1)C(F)(F)F
COc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1
COc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccc(OC)cc1
CCC(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1
Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1ccncc1
Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1cccnn1
Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1ncccn1
Fc1ccc(cc1)C(=O)NCC(=O)NC(c1nccs1)c1ccccc1
Fc1ccc(cc1)C(=O)NCC(=O)NCC1c2ccccc2Sc2ccc(Cl)cc12
Fc1ccc(cc1)C(=O)NCC(=O)NCC1c2ccccc2CCc2ccccc12
Fc1ccc(cc1)C(=O)NCC(=O)NCC1c2ccccc2COc2ccc(F)cc12
CN1c2ccccc2C(CNC(=O)CNC(=O)c2ccc(F)cc2)c2ccccc2C1=O
Cc1nc(ccc1C(=O)Nc1ccc2cccnc2c1)-c1ccc(F)cc1
Clc1cccc(COc2cc3cncnc3cc2NC(=O)Nc2cccc3ccccc23)c1
C[C@H]1COCCN1c1nncc2cc(ccc12)-c1c(C)ccc2c(N)nsc12 |r|
CNc1noc2c(c(C)ccc12)-c1ccc2c(nncc2c1)C(C)C
CNc1noc2c(c(C)ccc12)-c1ccc2c(OC(C)C)nncc2c1
CC[C@H](C)Nc1nncc2cc(ccc12)-c1c(C)ccc2c(NC)noc12 |r|
CNc1noc2c(c(C)ccc12)-c1ccc2c(NC(C)C)nncc2c1
CNc1noc2c(c(C)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@H]1C |r|
CC(C)Nc1noc2c(c(Cl)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@@H]1C |r|
CNc1noc2c(c(Cl)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@@H]1C |r|
C[C@H]1COCCN1c1nncc2cc(ccc12)-c1c(C)ccc2c(NC(C)=O)noc12 |r|
C[C@H]1COCCN1c1nncc2cc(ccc12)-c1c(C)ccc2c(N)noc12 |r|
CNc1noc2c(c(C)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@@H]1C |r|
CCNc1noc2c(c(C)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@@H]1C |r|
CC(C)Nc1nncc2cc(ccc12)-c1c(C)ccc2c(NC3CC3)noc12
C[C@H]1CN(CCN1c1nncc2cc(ccc12)-c1c(C)ccc2c(NC3CC3)noc12)C(C)=O |r|
C[C@H]1COCCN1c1nncc2cc(ccc12)-c1c(C)ccc2c(NC3CC3)noc12 |r|
Cc1ccccc1-c1nncc2cc(ccc12)-c1c(C)ccc2c(NC3CC3)noc12
COCCCn1c(NC(=O)c2ccc(cc2)C#N)nc2cc(CN(C)C3CCCCC3)ccc12
[H][C@]12CC[C@]([H])(C[C@@H](CN3CC[C@H](C3)N3Cc4ccccc4NC3=O)C1)N2C(=O)OCC |r|
[O-][N+](=O)c1ncn(CC(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)n1
[O-][N+](=O)c1ncn(CC(=O)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)n1
CN(C)CCCOc1ccc(cc1)S(=O)(=O)Nc1ccc(cn1)C(=O)CSC(C)=O
CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3COOCc3c2)nc1
OC[C@H](C1CCN(CC1)C(=O)C=Cc1cc(F)cc(F)c1)N1CCC(CC1)c1c[nH]c2ncccc12 |r,w:11.11|
COc1ccc(Cl)cc1-c1cc(=O)[nH]c(=S)n1CC(N)=O
COc1ccc(cc1)[C@H](C)NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F |r|
C[C@H](NC(=O)COc1cc(c2c(nn(C)c2n1)-c1ccccc1)C(F)(F)F)c1c(C)n[nH]c1C |r|
COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O |r,wD:26.28,(6.65,3.5,;5.31,2.74,;3.98,3.51,;3.98,5.05,;2.64,5.83,;1.31,5.06,;1.31,3.52,;2.64,2.75,;2.64,1.21,;-.02,2.76,;-.02,1.22,;1.3,.46,;-1.35,.46,;-1.35,-1.08,;-.01,-1.85,;1.31,-1.08,;2.64,-.3,;2.64,-1.85,;2.65,-3.39,;1.31,-4.16,;-.02,-3.39,;-1.36,-4.16,;-2.68,1.22,;-4.01,.45,;-2.68,2.76,;-4.01,3.53,;-5.34,2.75,;-5.34,1.21,;-6.68,3.52,;-6.68,5.06,;-8.02,5.83,;-9.36,5.04,;-9.35,3.51,;-8.01,2.75,;-1.35,3.54,;-1.35,5.08,)|
COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](N(C)CCCC(O)=O)c2ccccc2)c1=O |r,wD:29.31,(12.56,-11.76,;11.23,-12.52,;9.89,-11.75,;9.9,-10.21,;8.56,-9.43,;7.23,-10.2,;7.23,-11.74,;8.56,-12.51,;8.56,-14.05,;5.9,-12.5,;5.9,-14.04,;7.23,-14.81,;4.57,-14.81,;4.57,-16.35,;5.9,-17.11,;7.23,-16.35,;8.56,-15.56,;8.56,-17.11,;8.57,-18.66,;7.23,-19.43,;5.9,-18.66,;4.56,-19.43,;3.21,-20.18,;5.32,-20.77,;3.8,-18.09,;3.24,-14.04,;1.9,-14.81,;3.24,-12.5,;1.9,-11.73,;.57,-12.51,;.57,-14.05,;.97,-15.53,;-.76,-14.82,;-.75,-16.37,;-2.08,-17.14,;-2.08,-18.68,;-3.41,-19.46,;-.74,-19.45,;-.76,-11.74,;-.77,-10.2,;-2.11,-9.43,;-3.44,-10.22,;-3.43,-11.75,;-2.1,-12.51,;4.57,-11.72,;4.57,-10.18,)|
COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](NCCCCC(O)=O)c2ccccc2)c1=O |r,wD:29.31,(15.29,-11.17,;13.95,-11.93,;12.62,-11.16,;12.63,-9.62,;11.28,-8.84,;9.95,-9.61,;9.95,-11.15,;11.28,-11.92,;11.28,-13.46,;8.62,-11.91,;8.62,-13.45,;9.96,-14.22,;7.29,-14.21,;7.29,-15.75,;8.63,-16.52,;9.95,-15.75,;11.28,-14.97,;11.28,-16.51,;11.29,-18.06,;9.95,-18.83,;8.62,-18.06,;7.28,-18.83,;5.94,-19.58,;8.05,-20.17,;6.52,-17.49,;5.97,-13.45,;4.63,-14.22,;5.97,-11.91,;4.63,-11.14,;3.3,-11.92,;3.3,-13.46,;1.97,-14.23,;1.98,-15.77,;.64,-16.54,;.65,-18.08,;-.68,-18.86,;-2.02,-18.09,;-.68,-20.4,;1.96,-11.15,;1.96,-9.61,;.62,-8.84,;-.71,-9.63,;-.7,-11.16,;.63,-11.92,;7.29,-11.13,;7.29,-9.59,)|
COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2Cl)c(=O)n(C[C@H](NCCCC(O)=O)c2ccccc2)c1=O |r,wD:26.28,(8.1,-10.47,;6.76,-11.23,;5.43,-10.46,;5.44,-8.92,;4.1,-8.14,;2.77,-8.91,;2.77,-10.45,;4.1,-11.22,;4.09,-12.76,;1.44,-11.21,;1.44,-12.75,;2.77,-13.52,;.11,-13.51,;.11,-15.05,;1.44,-15.82,;2.76,-15.05,;4.09,-14.27,;4.1,-15.81,;4.1,-17.36,;2.77,-18.13,;1.43,-17.36,;.1,-18.13,;-1.22,-12.75,;-2.55,-13.52,;-1.22,-11.21,;-2.56,-10.44,;-3.89,-11.22,;-3.88,-12.76,;-5.22,-13.53,;-5.21,-15.07,;-6.54,-15.84,;-6.54,-17.38,;-7.87,-18.16,;-5.2,-18.15,;-5.22,-10.45,;-5.23,-8.91,;-6.57,-8.14,;-7.9,-8.93,;-7.89,-10.46,;-6.56,-11.22,;.11,-10.43,;.11,-8.89,)|
COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](NCCCC([O-])=O)c2ccccc2)c1=O |r,wD:29.31,(30.28,-13.89,;28.95,-14.65,;27.62,-13.88,;27.62,-12.34,;26.28,-11.56,;24.95,-12.33,;24.95,-13.87,;26.28,-14.64,;26.27,-16.18,;23.62,-14.63,;23.62,-16.17,;24.95,-16.94,;22.29,-16.93,;22.29,-18.47,;23.62,-19.24,;24.95,-18.47,;26.27,-17.69,;26.28,-19.24,;26.28,-20.78,;24.95,-21.55,;23.62,-20.78,;22.28,-21.55,;20.94,-22.31,;23.04,-22.89,;21.52,-20.21,;20.96,-16.17,;19.63,-16.94,;20.96,-14.63,;19.63,-13.86,;18.29,-14.64,;18.3,-16.18,;16.97,-16.95,;16.97,-18.49,;15.64,-19.27,;15.64,-20.81,;14.31,-21.58,;16.98,-21.57,;16.96,-13.87,;16.95,-12.33,;15.62,-11.57,;14.28,-12.35,;14.29,-13.88,;15.63,-14.64,;22.29,-13.85,;22.29,-12.31,)|
COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(C[C@H](NCCCC(O)=O)c2ccccc2)c1=O |r,wD:26.28,(8.92,-11.98,;7.58,-12.75,;6.25,-11.97,;6.26,-10.43,;4.91,-9.66,;3.58,-10.43,;3.58,-11.96,;4.91,-12.74,;4.91,-14.28,;2.25,-12.72,;2.25,-14.26,;3.59,-15.04,;.92,-15.03,;.92,-16.57,;2.26,-17.34,;3.58,-16.57,;4.91,-15.79,;4.91,-17.33,;4.92,-18.88,;3.58,-19.65,;2.25,-18.88,;.91,-19.64,;-.4,-14.26,;-1.74,-15.04,;-.4,-12.72,;-1.74,-11.96,;-3.07,-12.73,;-3.07,-14.27,;-4.4,-15.05,;-4.39,-16.59,;-5.73,-17.36,;-5.72,-18.9,;-7.05,-19.67,;-4.38,-19.67,;-4.41,-11.97,;-4.41,-10.43,;-5.75,-9.66,;-7.08,-10.44,;-7.07,-11.98,;-5.74,-12.74,;.92,-11.95,;.92,-10.41,)|
COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](NCCC(O)=O)c2ccccc2)c1=O |r,wD:29.31,(16.08,-10.54,;14.74,-11.3,;13.41,-10.53,;13.42,-8.99,;12.08,-8.21,;10.75,-8.98,;10.75,-10.52,;12.08,-11.29,;12.07,-12.83,;9.42,-11.28,;9.42,-12.82,;10.75,-13.59,;8.09,-13.58,;8.09,-15.12,;9.42,-15.89,;10.74,-15.12,;12.07,-14.34,;12.08,-15.88,;12.08,-17.43,;10.75,-18.2,;9.41,-17.43,;8.08,-18.2,;6.74,-18.95,;8.84,-19.54,;7.32,-16.86,;6.76,-12.82,;5.43,-13.59,;6.76,-11.28,;5.42,-10.51,;4.09,-11.29,;4.1,-12.83,;2.76,-13.6,;2.77,-15.14,;1.44,-15.91,;.1,-15.15,;1.44,-17.46,;2.76,-10.52,;2.75,-8.98,;1.41,-8.21,;.08,-9,;.09,-10.53,;1.42,-11.29,;8.09,-10.5,;8.09,-8.96,)|
COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](NCC(O)=O)c2ccccc2)c1=O |r,wD:29.31,(15.42,-11.27,;14.08,-12.03,;12.75,-11.26,;12.76,-9.72,;11.42,-8.94,;10.09,-9.71,;10.09,-11.25,;11.42,-12.02,;11.41,-13.56,;8.76,-12.01,;8.76,-13.55,;10.09,-14.32,;7.43,-14.31,;7.43,-15.85,;8.76,-16.62,;10.08,-15.85,;11.41,-15.07,;11.42,-16.61,;11.42,-18.16,;10.08,-18.93,;8.75,-18.16,;7.42,-18.93,;6.07,-19.69,;8.18,-20.27,;6.66,-17.59,;6.1,-13.55,;4.77,-14.32,;6.1,-12.01,;4.76,-11.24,;3.43,-12.02,;3.43,-13.56,;2.1,-14.33,;2.11,-15.87,;.78,-16.65,;3.45,-16.64,;2.09,-11.25,;2.09,-9.71,;.75,-8.94,;-.58,-9.73,;-.57,-11.26,;.76,-12.02,;7.43,-11.23,;7.43,-9.69,)|
COC(=O)CCCN[C@@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1cccc(OC)c1F)c1ccccc1 |r,wD:8.7,(-4.95,-18.43,;-3.61,-19.19,;-2.28,-18.42,;-.95,-19.18,;-2.29,-16.88,;-.96,-16.1,;-.96,-14.56,;.37,-13.79,;.37,-12.25,;1.7,-11.48,;3.03,-12.24,;4.36,-11.46,;4.36,-9.92,;5.69,-12.24,;5.69,-13.78,;7.02,-14.55,;4.36,-14.54,;4.36,-16.08,;5.7,-16.85,;7.02,-16.09,;8.35,-15.31,;8.35,-16.85,;8.36,-18.4,;7.02,-19.17,;5.69,-18.4,;4.35,-19.16,;3.01,-19.92,;5.11,-20.5,;3.59,-17.82,;3.03,-13.78,;1.7,-14.55,;7.02,-11.48,;7.02,-9.95,;8.35,-9.18,;9.69,-9.95,;9.69,-11.49,;11.02,-12.27,;12.35,-11.5,;8.35,-12.26,;8.35,-13.8,;-.97,-11.48,;-.97,-9.95,;-2.31,-9.18,;-3.65,-9.96,;-3.64,-11.5,;-2.3,-12.25,)|
COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](N)c2ccccc2)c1=O |r,wD:29.31,(2.33,6.39,;1,5.62,;1.01,4.08,;2.35,3.31,;2.35,1.77,;1.02,.99,;-.31,1.77,;-.32,3.3,;-1.66,4.06,;-1.64,1,;-1.64,-.54,;-.31,-1.32,;-2.97,-1.31,;-2.97,-2.85,;-1.64,-3.62,;-.32,-2.85,;-1.66,-2.08,;1.02,-3.61,;1.02,-5.16,;-.31,-5.93,;-1.65,-5.16,;-2.98,-5.92,;-4.32,-6.68,;-2.22,-7.26,;-3.74,-4.59,;-4.3,-.54,;-5.63,-1.32,;-4.3,1,;-5.64,1.76,;-6.97,.99,;-6.96,-.55,;-8.3,1.75,;-8.3,3.29,;-9.64,4.06,;-10.97,3.28,;-10.96,1.74,;-9.62,.98,;-2.97,1.77,;-2.97,3.31,)|
COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3C[C@H](C)N[C@H](C)C3)cc2)C(=O)NC2CCCCC2)c1 |r|
C[C@H]1CN(Cc2ccc(cc2)-c2ccccc2CN(C)C(=O)COc2ccccc2)C[C@@H](C)N1 |r|
C[C@H]1CN(Cc2ccc(cc2)-c2ccccc2CN(C)C(=O)COc2ccc(F)cc2)C[C@@H](C)N1 |r|
C[C@H]1CN(Cc2ccc(cc2)-c2ccccc2CN(C)C(=O)Cc2cccc(Cl)c2)C[C@@H](C)N1 |r|
C[C@H]1CN(Cc2ccc(cc2)-c2ccccc2CN(C)C(=O)CS(=O)(=O)c2ccccc2)C[C@@H](C)N1 |r|
C[C@H]1CN(Cc2ccc(cc2)-c2ccccc2CN(C)C(=O)Cc2cc(C)no2)C[C@@H](C)N1 |r|
CCN(CCc1ccccc1)C(=O)c1ccccc1-c1ccc(CN2C[C@H](C)N[C@H](C)C2)cc1 |r|
C[C@H]1CN(Cc2ccc(cc2)-c2ccccc2C(=O)N2CCC(Cc3ccc(F)cc3)CC2)C[C@@H](C)N1 |r|
C[C@H]1CN(Cc2ccc(cc2)-c2ccccc2C(=O)N2CCC(CC2)Oc2ccc(F)cc2)C[C@@H](C)N1 |r|
C[C@H]1CN(Cc2ccc(cc2)-c2ccccc2C(=O)N2CCC(CC2)Nc2ccccc2)C[C@@H](C)N1 |r|
C[C@H]1CN(Cc2ccc(cc2)-c2ccccc2C(=O)N2CCC(CC2)Nc2ccc(Cl)cc2)C[C@@H](C)N1 |r|
C[C@H]1CN(Cc2ccc(cc2)-c2ccccc2C(=O)N2CCC(CC2)C(=O)c2ccc(F)cc2)C[C@@H](C)N1 |r|
C[C@H]1CN(Cc2ccc(cc2)-c2cccnc2C(=O)N2CCC(CC2)Nc2ccc(F)cc2)C[C@@H](C)N1 |r|
C[C@H]1CN(Cc2ccc(cc2)-n2ccnc2C(=O)N2CCC(CC2)Nc2cccc(F)c2)C[C@@H](C)N1 |r|
C[C@H]1CN(Cc2ccc(cc2)-c2cccnc2C(=O)N2CCC(Cc3ccc(F)cc3)CC2)C[C@@H](C)N1 |r|
FC(F)(F)Oc1cccc(Nc2cc(C3CC3)c(cn2)C(=O)NCC2CCOCC2)c1
CC(C)c1cc(Nc2ccc(Cl)cc2Cl)ncc1C(=O)NCC1CCOCC1
CC(C)(C)c1cc(Nc2ccc(Cl)cc2Cl)ncc1C(=O)NCC1CCOCC1
Clc1ccc(Nc2cc(C3CC3)c(cn2)C(=O)NCC2CCOCC2)c(Cl)c1
Brc1cccc(Nc2cc(C3CC3)c(cn2)C(=O)NCC2CCOCC2)c1
Clc1ccc(Cl)c(Nc2cc(C3CC3)c(cn2)C(=O)NCC2CCOCC2)c1
C[C@H]1CN(CCN1c1ncc(cc1F)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](C[C@@H]1O)C2(C)C |r,TLB:28:27:23.24:29|
C[C@H]1CN(CCN1c1ncc(cc1F)C(F)(F)F)S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C |r,TLB:28:27:23.24:29|
CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1Cl
CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1S(C)(=O)=O
CCN(C[C@@](CNC(=O)c1cnn(c1N)c2ccc(cc2)F)(C(F)(F)F)O)C(=O)c3c(cccc3Cl)Cl
CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(F)cccc1F
CCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ncccc1Cl
CN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(F)cccc1F
Nc1c(cnn1-c1ccc(F)cc1)C(=O)NCC(O)(CN(CCF)C(=O)c1c(F)cccc1F)C(F)(F)F
Nc1c(cnn1-c1ccc(F)cc1)C(=O)NCC(O)(CN(CCO)C(=O)c1c(F)cccc1F)C(F)(F)F
Nc1c(cnn1-c1ccc(F)cc1)C(=O)NCC(O)(CN(CCO)C(=O)c1c(Cl)cccc1Cl)C(F)(F)F
OC(=O)c1cccc(n1)C1=C(CCC1)c1cc(Cl)ccc1OCc1ccc(F)cc1F |t:10|
COC1CCc2cc(ccc2C1)-c1cccnc1
O=C1CCc2cc(ccc2C1)-c1cccnc1
COc1cncc(c1)-c1ccc2CC(=O)CCc2c1
O=C1CCc2cc(ccc2N1)-c1cccnc1
CC1(CN2C(=CSC2=N1)CS/C(=N\C3CCCCC3)/NC4CCCCC4)C
C(S\C(NC1CCCCC1)=N/C1CCCCC1)C1=CSC2=NCCN12 |t:19,22|
CC(C)N1CCC(COc2ncc(C(=O)c3ccc(Cl)cc3)n2C)CC1
COC[C@H]1CCCN1c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C |r|
C[C@@H]1CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)[C@@](C)(O)C(F)(F)F |r|
C[C@@H]1CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F |r|
C[C@@H]1CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r|
C[C@@H]1CN(CC2(CCC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r|
C[C@@H]1CN(CC2(CC2)c2ccncc2)CCN1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F |r|
CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
CN(CCC1c2ccccc2Oc2ccccc12)CCC(=O)N1CCN(CC1)c1ccc(F)c(F)c1
CN(CCC1c2ccccc2-c2ccccc12)CCC(=O)N1CCN(CC1)c1ccc(F)c(F)c1
CC(C)CNc1nc(nc(N2CCOCC2)c1N)C#N
CC(C)(C)CNc1nc(nc(N2CCOCC2)c1N)C#N
CC(C)CNc1nc(nc(N2CCNCC2)c1N)C#N
Cn1ccnc1C(N)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3cccc(Cl)c3)c2c1
Cc1c(Cl)cccc1-c1cc(=O)n(C)c2ccc(cc12)[C@@](N)(c1cncn1C)c1ccc(Cl)cc1 |r|
Cc1ccccc1-c1cc(=O)n(C)c2ccc(cc12)[C@@](N)(c1cncn1C)c1ccc(Cl)cc1 |r|
Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3cccc4ccccc34)c2c1 |r|
CO[C@](c1cncn1C)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3cccc(Cl)c3C)c2c1 |r|
Clc1cccc(COc2cncc(n2)N2CCNCC2)c1
C[C@H](Cc1cccc(F)c1)Oc1nc(ncc1F)N1CCNC[C@H]1C |r|
CC(C)N1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C(C)C)cc1
CC(C)N1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C2CCC2)cc1
CCOc1cc(ccc1OC)[C@@H](CS(=O)(=O)C)N2C(=O)c3cccc(c3C2=O)NC(=O)C
FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1 |r|
FC(F)(F)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)N1CCN(CC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)-c1nnc[nH]1 |r|
Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccc(cc1)-c1ncco1
Cc1ncoc1-c1nnc(SCCCN2CCOC(C2)c2ccc(F)cc2)n1C
Cc1ncoc1-c1nnc(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)n1C
Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccc(cc1)C(N)=O
COC(=O)N[C@H](C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCN(Cc2ccccc2)C1=O)C(C)(C)C)Cc1ccc(cc1)-c1ccccn1)C(C)(C)C |r|
COC(=O)N[C@H](C(=O)N[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCN(Cc2cccc(n2)C(C)(C)O)C1=O)C(C)(C)C)Cc1ccc(cc1)-c1ccccn1)C(C)(C)C |r|
[O-]C(=O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(F)cc2Cl)n1
NC(=O)C1(CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1 |TLB:1:3:10:6.7|
NCc1noc(n1)-c1nn(Cc2ccccc2)c2ccccc12
C[C@@H](O[C@H]1CC[C@@H]2CN(C[C@H]2[C@@H]1c1ccc(F)cc1)C1=CC(=O)CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,t:22|
Cc1ccc(C(O)=O)c(C)c1NC(=O)c1nc(ccc1C)-c1cccc(CO)c1
C[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1 |r|
NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1
NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(O)c1
C[C@@H](Nc1c(Nc2ccn[nH]2)c(=O)c1=O)c1ccccc1 |r|
CCC(=O)c1cc(-c2ccc(Cl)cc2)n(c1C)-c1ccc(cc1)S(N)(=O)=O
C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1-c1nnc(o1)-c1cccc2ncsc12)C(F)(F)F |r|
COc1cc(CNC(=O)c2cc(nc(C)n2)-c2nnn(C[C@H]3CO[C@H](CO)CO3)n2)ccc1F |r|
CCOC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)c1cccc(c1)C#N)NC1CCC1 |r|
COc1ccccc1CNc1cc(cn2c(C)c(C)nc12)-n1ccccc1=O
Cc1nc2c(NCc3ccccc3)cc(cn2c1C)-n1ccccc1=O
Cc1nc2c(NCc3ccc(F)cc3Cl)cc(cn2c1C)-n1cncn1
Cc1nc2c(NCc3ccc(F)cc3Cl)cc(cn2c1C)-n1ccccc1=O
Cc1nc2c(NCc3ccccc3C)cc(cn2c1C)-n1cncn1
Cc1nc2c(NCc3ccccc3C)cc(cn2c1C)-n1ccccc1=O
Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)-n1ccc(=O)cc1
Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)-n1cnccc1=O
Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)-n1ncccc1=O
Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)-n1cc(ccc1=O)C(N)=O
Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)-n1cnc(CO)n1
Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)-n1ncnc1CO
CCc1cccc(C)c1CNc1cc(cn2c(C)c(C)nc12)-c1ncnn1C
Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)N1CCNC1=O
Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)-c1ccco1
Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)-n1cncn1
Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)-c1ccccn1
Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)-n1ccccc1=O
Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)-n1cccn1
Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)N1CCCCC1=O
Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)-c1c[nH]c(=O)[nH]c1=O
CCc1cccc(C)c1CNc1cccn2c(C)c(C)nc12
Cc1nc2c(NCc3c(C)cccc3C)cc(cn2c1C)C(=O)NCCO
CCc1cccc(C)c1CNc1cc(cn2c(C)c(C)nc12)C(N)=O
Cc1nc2c(CCc3c(C)cccc3C)cc(cn2c1C)-n1ccccc1=O
Cc1nc2c(OCc3c(C)cccc3C)cc(cn2c1C)-n1ccccc1=O
Cc1nc2c3N[C@@H](CCc3c(cn2c1C)-n1cncn1)c1ccccc1 |r|
Cc1nc2c(N[C@@H]3[C@@H](O)Cc4ccccc34)cc(cn2c1C)-n1cncn1 |r|
Cc1nc2c(N[C@@H]3[C@@H](O)Cc4ccccc34)cc(cn2c1C)-n1ccccc1=O |r|
Cc1nc2c(N[C@H]3CCc4ccccc34)cc(cn2c1C)-n1ccccc1=O |r|
Cc1nc2c(N[C@@H]3CCc4ccccc34)cc(cn2c1C)-n1cncn1 |r|
Cc1nc2c(N[C@@H]3CCc4ccccc34)cc(cn2c1C)-n1ccccc1=O |r|
Cc1nc2c3N[C@@H](CCc3c(cn2c1C)-n1ccccc1=O)c1ccccc1 |r|
Cn1nccc1-c1ccc2OC3(CCN(CC3)C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC(=O)c2c1 |r|
Cn1nccc1Nc1ccc2OC3(CCN(CC3)C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC(=O)c2c1 |r|
CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC(=O)c2c1 |r|
O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CCc1ccccc1O2 |r|
Fc1ccc2OC3(CCN(CC3)C(=O)N[C@H]3C[C@@H]3c3ccccc3)CCc2c1 |r|
CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)N[C@H]3C[C@@H]3c3ccccc3)CCc2c1 |r|
CS(=O)(=O)c1ccc2OC3(CCc2c1)CCCN(CC3)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r|
O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CC(=O)c1ncccc1O2 |r|
OC1CC2(CCN(CC2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)Oc2cccnc12 |r|
O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CCc1ncccc1O2 |r|
FC(F)(F)c1ccc(cc1)C(=O)N1CCC2(CC1)CCc1ccccc1O2
CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)c3ccc(cc3)C(F)(F)F)CCc2c1
CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)Cc3ccc(Cl)cc3Cl)CCc2c1
Fc1ccc2OC3(CCN(CC3)C(=O)CCc3ccccc3)CCc2c1
O=C(NC1CCc2ccccc2C1)N1CCC2(CC1)CC(=O)c1ccccc1O2
O=C(NC1CCc2ccccc12)N1CCC2(CC1)CC(=O)c1ccccc1O2
CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)N[C@@H]3CC[C@H](C3)c3ccccc3)CC(=O)c2c1 |r|
Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(C)cc2C1=O
Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2cccc(C)c2C1=O
Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(Cl)cc2C1=O
Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2ccc(F)cc2C1=O
Cc1ccoc1C(=O)Nc1ccc(cc1F)N1C(=O)c2cccc(F)c2C1=O
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccc(cc2)C(F)(F)F)cc1)c1cccnc1
Nc1nc(CC(=O)Nc2ccc(C[C@@H]3CC[C@@H](N3)[C@H](O)c3ccccc3)cc2)cs1 |r|
O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4scnc34)cc2)N1)c1cccnc1 |r|
O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4ccnn34)cc2)N1)c1cccnc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cc2)N1)[C@H](O)c1ccccc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(NC(=O)Cn3ncccc3=O)cc2)N1)[C@H](O)c1ccccc1 |r|
[H][C@@]1(CC[C@@H](Cc2ccc(NC(=O)Cn3cccnc3=O)cc2)N1)[C@H](O)c1ccccc1 |r|
[H][C@@](O)(c1ccccc1)[C@@]1([H])CC[C@@]([H])(Cc2ccc(NC(=O)[C@]3([H])CCc4nccc(=O)n34)cc2)N1 |r|
NOCc1ccc(I)cc1
NOCc1cccc(Cl)c1
OC(=O)CN(Cc1cccc(c1)-c1ccccc1OC(F)(F)F)S(=O)(=O)c1ccc(OC(F)F)cc1
CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)Cc1cccc(c1)-c1ccccc1
OC(=O)CN(C1(CCC1)c1ccc(cc1)-c1ccccc1OC(F)(F)F)S(=O)(=O)c1ccc(OC(F)F)cc1
CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)C1(CCC1)c1cccc(c1)-c1cc(Cl)cc(Cl)c1
COc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc(SC)c1
Cc1cc(cc(c1)NC(=O)[C@@H]2CCCN2S(=O)(=O)c3ccc(cc3)OC)C
CC(C)n1ncnc1-c1cn2CCOc3cc(O[C@@H](C)C(N)=O)ccc3-c2n1 |r|
CC(C)Oc1ccc(cc1Cl)-c1nnc(s1)-n1nc2CCN(CCC(O)=O)Cc2c1C
CN1CC(=O)OB(OC(=O)C1)c1ccc(Cn2c(C)nc3c(c(Cl)c(Cl)cc23)[N+]([O-])=O)cc1
Cc1cn(cn1)-c1ccc2Nc3nc(Cc4ccccc4)sc3CCc2c1
Cc1ncn(n1)-c1ccc2Nc3nn(Cc4ccccc4)cc3CCc2c1
Clc1cn(cn1)-c1ccc2Nc3nn(Cc4ccccc4)cc3CCc2c1
COc1ccc(Cc2nc3c(CCc4cc(ccc4C3=O)-c3ccnc(C)c3)o2)cc1
COc1ccc(Cc2nc3c(CCc4cc(ccc4C3=O)-n3cnc(C)c3)n2C)cc1
COc1ccc(Cc2nc3c(CCc4cc(ccc4C3=O)-c3ccnc(C)c3)n2C)cc1
Cc1cn(cn1)-c1ccc2c(CCc3ccc(Cc4ccc(F)cc4)nc3C2=O)c1
Cc1cn(cn1)-c1ccc2Nc3nc(Cc4ccccc4)ccc3C(=O)Nc2c1
Clc1cn(cn1)-c1ccc2Nc3nc(Cc4ccccc4)ccc3C(=O)Nc2c1
Cc1ncn(n1)-c1ccc2Nc3nc(Cc4ccccc4)ccc3C(=O)Nc2c1
Cc1cn(cn1)-c1cc2NC(=O)c3ccc(Cc4ccccc4)nc3Nc2cc1F
CC(c1ccccc1)c1ccc2c(Nc3ccc(cc3NC2=O)-n2cnc(C)c2)n1
CC(c1ccccc1)c1ccc2c(Nc3ccc(cc3NC2=O)-n2cnc(Cl)c2)n1
CN(C)C(=O)c1ccc(Oc2nc(nc(n2)-c2cccc3[nH]ncc23)N2CCOCC2)cc1
CN(C)C(=O)[C@H]1CC[C@@H](CC1)Oc1nc(nc(n1)-c1cccc2[nH]ncc12)N1CCOCC1 |r,wU:8.11,wD:5.4,(-11.42,3.33,;-10.35,3.94,;-10.34,5.17,;-9.02,3.16,;-9.03,1.93,;-7.68,3.92,;-6.35,3.14,;-5.01,3.9,;-5,5.44,;-6.33,6.22,;-7.67,5.46,;-3.66,6.2,;-2.34,5.42,;-.99,6.17,;.33,5.39,;.32,3.85,;-1.02,3.09,;-2.35,3.88,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;1.67,6.15,;3,5.37,;4.34,6.13,;4.35,7.67,;3.03,8.45,;1.69,7.69,)|
CN(C)C(=O)N1CCC(CC1)Oc1nc(nc(n1)-c1cccc2[nH]ncc12)N1CCOCC1
CCn1c(CCC2CCCCC2)nnc1CCC(=O)Nc1ccc(C)cc1C
CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1C1Cc2ccccc2C1
Cc1ccc(c(c1)C)NC(=O)[C@H]2CN(C[C@@H]2c3nnc(n3C4CC4)C5CC(C5)CC(C)C)C(=O)C
CC(C)C[C@H]1C[C@H](C1)c1nnc([C@H]2C[C@H](O)C[C@@H]2C(=O)Nc2ccc(C)cc2C)n1C1CC1 |r,wU:4.3,6.8,12.12,wD:17.19,14.15,(2.36,7.33,;2.68,6.14,;1.81,5.27,;4.17,5.74,;4.56,4.26,;5.9,3.48,;5.11,2.21,;3.79,2.92,;5.62,.75,;7.1,.32,;7.14,-1.22,;5.7,-1.71,;5.38,-3.22,;6.42,-4.36,;5.65,-5.7,;6.15,-6.82,;4.14,-5.38,;4,-3.86,;2.66,-3.08,;2.67,-1.85,;1.33,-3.85,;-.01,-3.08,;0,-1.54,;-1.33,-.76,;-2.67,-1.53,;-3.73,-.91,;-2.67,-3.07,;-1.34,-3.84,;-1.35,-5.07,;4.75,-.52,;3.21,-.57,;1.93,-1.26,;2.03,.28,)|
CC(C)C[C@H]1C[C@H](C1)c1nnc(CCC(=O)Nc2ccc(C)cc2C)n1C1CC1 |r,wD:4.3,6.8,(9.15,-15.02,;8.56,-13.94,;7.33,-13.91,;9.36,-12.63,;8.62,-11.28,;9.06,-9.8,;7.6,-9.42,;7.15,-10.85,;6.98,-8.01,;7.75,-6.68,;6.72,-5.53,;5.33,-6.17,;4,-5.4,;4,-3.86,;2.66,-3.08,;1.6,-3.7,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.4,1.39,;,1.54,;1.33,.77,;2.4,1.39,;5.47,-7.69,;4.32,-8.72,;2.91,-9.1,;4.04,-10.15,)|
CN1CCC2(CC1)C(=O)Nc1cc(\C=C3/c4ccccc4COc4cc(F)ccc34)ccc21
C[N+]1([O-])CCC2(CC1)C(=O)Nc1cc(\C=C3/c4ccccc4COc4cc(F)ccc34)ccc21 |(-8.11,-5.82,;-7.33,-6.77,;-7.71,-7.95,;-6.31,-7.93,;-4.8,-7.72,;-4.32,-6.26,;-5.33,-5.09,;-6.81,-5.34,;-3.66,-7.61,;-4.28,-8.67,;-2.15,-7.51,;-1.85,-6.02,;-.49,-5.27,;-.46,-3.7,;.88,-2.95,;.89,-1.41,;-.48,-.72,;-1.65,-1.74,;-3.13,-1.26,;-3.43,.19,;-2.28,1.22,;-.82,.76,;.17,2,;1.73,1.96,;2.65,.75,;4.13,1.16,;5.24,.07,;6.42,.4,;4.89,-1.36,;3.39,-1.84,;2.28,-.76,;-1.82,-2.91,;-3.2,-3.7,;-3.18,-5.26,)|
OC(=O)CCN1CCC2(CC1)C(=O)Nc1cc(\C=C3/c4ccccc4COc4cc(F)ccc34)ccc21
CN(C)CC(=O)N1CCC2(CC1)C(=O)Nc1cc(\C=C3/c4ccccc4COc4cc(F)ccc34)ccc21
Fc1ccc2N(Cc3ccc4OCC(=O)Nc4c3)c3ccccc3COc2c1
Fc1ccc2N(c3ccccc3COc2c1)S(=O)(=O)c1ccc2OCC(=O)Nc2c1
CC1(C)OC(=S)Nc2ccc(cc12)S(=O)(=O)N1c2ccccc2COc2cc(F)ccc12
[H][C@]12C[C@H](CN1CCOC2)n1c2ccc(\C=C3/c4ccccc4COc4cc(F)ccc34)cc2[nH]c1=O |r|
Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2ccccc2)n1C
Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2ccc(cc2F)C(F)(F)F)n1C
Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccc(=O)n(C)c1
Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1cnccn1
CC(C)Oc1ccccc1N1CCC2CN(CCCSc3nnc(-c4cnccn4)n3C)CC12
Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(F)cc2F)nnc1-c1cnccn1
Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2C(F)(F)F)nnc1-c1cccnc1
Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1cc[nH]c(=O)c1
Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cc(F)cc2F)nnc1-c1ccn(C)c(=O)c1
Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2)nnc1C1CCOCC1
Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2C(F)(F)F)nnc1-c1cnccn1
Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2ccc(F)cc2)n1C
OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2onc(c2C(F)(F)F)-c2ccccn2)C1
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(C)ns3)ccnc2c1
COCCOc1cnc2ccc(cc2c1)[C@H](C)c1nnc2c(F)cc(cn12)-c1cc(C)no1 |r|
Cc1cc(sn1)N2C=Cc3c(n(nn3)[C@@H](C)c4ccc5c(c4)cc(cn5)OCCOC)C2=O
CC1(C)CCC(C)(C)c2cc(ccc12)C1(OCCO1)c1ccc(\C=C\C(O)=O)cc1
CC1(C)CCC(C)(C)c2cc(ccc12)C1(SCCS1)c1ccc(CCC(O)=O)cc1
Cn1cnc2ncn(Cc3nc(CCc4ccc(Cl)cc4)no3)c(=O)c12
CC[C@@H](C[C@H]1COC(=N1)N)c2ccccc2
Cc1c(cccc1F)[C@H]2COC(=N2)N
COc1ccc2c(OCc3nnc4ccc(nn34)-c3cc(F)c(F)c(F)c3)ccnc2c1
Cc1ccoc1C(=O)Nc1ccc(N2Cc3c(cccc3Cl)C2=O)c(Cl)c1
CC1(C)CCC(CC1)Nc1ncnc2c1nn1ccccc21
CC(C)(CN1C(C(=O)NCCCF)c2ccccc2C1=O)c1ccc(Cl)cc1
CCCNC(=O)C1N(CC(C)c2ccc(Cl)cc2)C(=O)c2ccccc12
Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(nc1)-n1cnnn1
Cc1ccc(nc1C(=O)Nc1c(C)cc(cc1C)C(O)=O)N1CCC(O)CC1
Cc1n(nc2ccc(cc12)-n1ccc(OCc2csc(c2)C(F)(F)F)cc1=O)C1CC1
OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2onc(c2C(F)(F)F)-c2ccccc2)C1
COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1c(F)cc(F)c(F)c1F |r,c:19|
COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1c(F)ccc(F)c1F |r,c:19|
COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1c(F)cccc1F |r,c:19|
COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(F)c(F)cc1F |r,c:19|
COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(F)ccc1F |r,c:19|
COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1 |r,c:19|
COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccccc1F |r,c:19|
COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccccc1 |r,c:19|
[H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1ccc(Cl)s1)c1nc(C)c(F)c(OC)n1 |r|
[H]/N=C/1N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)OC)F)C)c4ccc(s4)C#N
[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)OC)F)C)c4ccc(cc4F)F
[H]/N=C/1N[C@]2(CN(C[C@H]2C(=O)N1C)c3ncc(c(n3)OC)F)c4cc(cs4)c5cccc(c5)C#N
CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ncccc1C#N)c1cc(cs1)-c1cccc(c1)C#N |r,c:3|
CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1cccc(n1)C(O)=O)C(=O)c1cnccc1C(F)(F)F |r|
CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1ccc(cc1)C(F)(F)F
CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCNCC1)-c1ccc(cc1)C(F)(F)F
CCc1cnc(Oc2ccc(NC(=O)c3ncccc3N)cc2Cl)nc1
Nc1cccnc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1
COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1
COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](SC(N)=N1)c1c(C)noc1C |r,c:27|
Nc1noc2ccc(cc12)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Nc1noc2ccc(cc12)-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncccn1
[H][C@@]12CC[C@@]([H])(CN1C(=O)c1ccon1)N(C2)c1ccc2n(CC(C)(C)C)c(=O)n(C)c2n1 |r|
CCCC1N(CCCC1(Oc1csc(c1)C(F)(F)F)C(=O)N1CCN(CC1)c1ccccc1OCCCC(O)=O)C(=O)c1cnccc1C(F)(F)F
Nc1[nH]ncc1-c1cccc(c1)-c1cccc(N)c1
Nc1[nH]nc(c1-c1cccc(c1)-c1cccc(N)c1)-c1ccc(O)cc1
Oc1ccc(CNc2[nH]nc(c2-c2ccc(O)cc2)-c2ccc(O)cc2)cc1
CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(C)=O)nc3)cc2C(F)(F)F)CC1
CC(=O)Nc1ccc(cn1)-c1ccc(NCC(=O)Nc2ccc(CN3CCNCC3)c(c2)C(F)(F)F)cc1
FC(F)(F)c1cc(NC(=O)CNc2ccc(cc2)-c2ccc(NC(=O)C3CC3)nc2)ccc1CN1CCNCC1
CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1
Cc1cc2ncc3CN(Cc3n2n1)[C@H]1CC[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F |r|
Cc1cc2ncc3CN(Cc3n2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F |r|
N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1Cc2cnc3nnc(C4CC4)n3c2C1 |r|
N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1Cc2nn3cccnc3c2C1 |r|
Cc1ccn2nc3CN(Cc3c2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r|
Cc1ccnc2c3CN(Cc3nn12)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r|
N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2nn3nccnc3c2C1 |r|
CC[C@@H](C)N1C(=O)N(C=N1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl
CCC(C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OCC3COC(C)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O
Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)-c3cncn3C)cc2n1C(=O)OC(C)(C)C
Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccc(cc3)S(N)(=O)=O)c2c1C
COc1cccc(c1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1
FC(F)(F)c1cccc(Cn2cnc(c2)-n2ccc(NC(=O)c3cscn3)cc2=O)c1
CC(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F
OC(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F
CC(O)(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F
Cc1cccc(c1)C(C)(O)c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O
Cc1ccc(cc1)C(C)(O)c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O
CC(C)CC(O)(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F
CC(C)OC(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CSCCC(=O)NCc3cccnc3
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CSCCC(=O)NCc2cccnc2
CC(C)(C)OC(=O)N[C@H](CSCCC(=O)NCc1cccnc1)CC1CCCCC1 |r|
NCCCCCC(=O)NCc1cccnc1
CC(C)(C)OC(=O)NCCCCCC(=O)NCc1cccnc1
c1cc(cnc1)CCN
c1ccncc1
CC(C)[C@@H]1CN(CCN1c2ncc(c(n2)C(F)(F)F)CO)c3ccc(c(c3)S(=O)(=O)C)CO
CCOC1(SC=C(C)n2c1noc2=O)c1ccccc1 |t:5|
CC1=CSC(OCC(F)(F)F)(c2noc(=O)n12)c1ccccc1 |t:1|
CCOC1(SC=C(C)n2c1noc2=O)c1ccc(OC)cc1 |t:5|
CCOC1(Sc2ccccc2-n2c1noc2=O)c1ccc(OC)cc1
COc1ccc(cc1)C1(OCC(F)(F)F)Sc2ccccc2-n2c1noc2=O
CCOC1(SC=C(C)n2c1noc2=O)c1ccc(Br)cc1 |t:5|
CC1=CSC(OCC(F)(F)F)(c2noc(=O)n12)c1ccc(Br)cc1 |t:1|
CCOC1(Sc2ccccc2-n2c1noc2=O)c1ccc(Br)cc1
FC(F)(F)COC1(Sc2ccccc2-n2c1noc2=O)c1ccc(Br)cc1
CCOC1(Sc2ccccc2-n2c1noc2=O)c1ccccc1
CN1CCC(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O
CN1CCC(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O
CCN1CCC(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O
CN1CC[C@@H](C1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O |r|
Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(NC3CCCC3)nc12
Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Oc3ccccc3)nc12
Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Oc3cccc(F)c3F)nc12
Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Nc3cccc(F)c3)nc12
Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Nc3ccccc3F)nc12
COc1cc2CC[n+]3cc4c(OC)c(OC)ccc4cc3-c2cc1OC
CN1C=C(c2ccncc2C1=O)c3cc(c(c(c3)OC)CN(C)C)OC
CN1C=C(c2ccncc2C1=O)c3cc(c(cc3OC)CN(C)C)OC
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)N1CCN(CC1)C(C)=O
Cc1nn(C2CCNCC2)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
CC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
Cc1nn(C2CCN(CCO)CC2)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
CNC(=O)CN1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
CN(C)C(=O)CN1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
Cc1nn(C2CCN(CC2)C(=O)CO)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
COCC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
C[C@H](O)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|
C[C@@H](O)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|
Cc1nn(C2CCN(CC2)C(=O)CN)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
C[C@H](N)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|
C[C@@H](N)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|
CNCC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C
CCNCc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O
CCNCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O
CCN(CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O
CC(C)(C)NCc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O
CCc1cc(CC[C@@]2(CC(=O)C(Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)C2CCCC2)cc(CC)n1 |r|
COc1cccc(c1)-c1nc(OC)c2ccccc2n1
COc1cccc(c1)-c1nc(SC)c2ccccc2n1
CC(C)(C)[Si](C)(C)O[C@H]1C=C2CCN3Cc4cc5OCOc5cc4[C@@H]([C@@H]23)[C@@H]1O |r,t:9|
CC(=O)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C=C2CCN3Cc4cc5OCOc5cc4[C@H]1[C@@H]23 |r,t:14|
CC(=O)O[C@@H]1[C@@H](O)C=C2CCN3Cc4cc5OCOc5cc4[C@H]1[C@@H]23 |r,t:7|
CC(=O)O[C@H]1C=C2CCN3Cc4cc5OCOc5cc4[C@@H]([C@@H]23)[C@@H]1OC(C)=O |r,t:5|
c1c2c(c(c3c1OCO3)O)C(=O)N[C@@H]4C2=C[C@@H]([C@H]([C@H]4O)O)O
CS(=O)(=O)c1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(N)=O)cc1
COc1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(N)=O)cc1
CSc1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(N)=O)cc1
OC[C@H](O)Cn1c2ccccc2n(C2CCN(C[C@H]3[C@H]4CC[C@H](C4)C33CC3)CC2)c1=O |r|
Cc1cc(-c2ncsc2Cl)c2cccc(OCc3c(C)ccnc3Cn3cccc(c3=O)C(F)(F)F)c2n1
Cc1c[nH]nc1-c1cc(C)nc2c(OCc3c(C)ccnc3Cn3cccc(c3=O)C(F)(F)F)cccc12
Cc1cc(-c2ccnn2C)c2cccc(OCc3c(C)ccnc3Cn3cccc(c3=O)C(F)(F)F)c2n1
Cc1cc(-c2ccnn2C)c2cccc(OCc3c(C)ccnc3CNC(=O)C3CCCCC3)c2n1
CC(C)C(=O)NCc1nccc(C)c1COc1cccc2c(cc(C)nc12)-c1ccnn1C
Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(ccc5n4)C#N)COc3ccc2n1 |r|
CCN(CC)CCC[C@@H](C)Nc1ccnc2c1ccc(c2)Cl
CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5Cc6c7c(cccc7[nH]c6Br)C5=C4)C)O
C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@@H]5C[C@@H]6c7cccc8c7c(c[nH]8)C[C@H]6N(C5)C
Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1
O=S(Cc1ccccn1)c1nc2ccccc2[nH]1
CCCCOC(=O)C(=O)Nc1cccc(c1)-c1nnn[nH]1
CNC(NC#N)=NCCSCc1[nH]cnc1C |w:6.6|
COC([O-])=C1C(C(C(=[OH+])OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |w:2.2,c:13,t:10|
COc1ccc2nc([nH]c2c1)S(=O)Cc1ncc(C)c(OC)c1C
c1cc(cnc1)O
CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1
CCCC1COC(Cn2cncn2)(O1)c1ccc(Cl)cc1Cl
Cc1cnc(cn1)C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1
Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O |t:12|
N(c1ccccc1)c1ccccn1
S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
CCC(c1ccc(cc1)-c1ccc(O)c(Cl)c1)n1ccnc1
COc1cccc2c1O[C@H]([C@H](C)S2(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |r|
Cn1c2n(ncc2c(Nc2cc(ccc2Cl)C(=O)NC2CC2)cc1=O)-c1ccc(F)cc1
Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1
COC(=O)N(CC(O)=O)Cc1cc(OCc2nc(oc2C)-c2ccc(Cl)cc2)ccc1F
Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(O)=O
CN(C)c1nc(Cc2ccc(NC(=O)c3ccc(cc3)C(F)(F)F)cc2)nc(N(C)C)c1CC(O)=O
c1ccc2c(c1)c3c(n2CCC(=O)O)CC[C@H](C3)NS(=O)(=O)c4ccc(cc4)F
CN([C@@H]1CCC2=C(C1)C1C=CC=CC1N2CC(O)=O)S(=O)(=O)c1ccc(F)cc1 |r,c:5,10,12|
CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
CN([C@@H]1CCc2c(CC(O)=O)c3ccccn3c2C1)S(=O)(=O)c1ccc(F)cc1 |r|
CN([C@@H]1CCc2c(CC(O)=O)n3ccccc3c2C1)S(=O)(=O)c1ccc(F)cc1 |r|
CN([C@@H]1CCc2c(C1)c1ncccc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1 |r|
CN([C@@H]1CCc2c(C1)c1ccncc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1 |r|
CN([C@@H]1CCc2c(C1)c1cccnc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1 |r|
CN([C@@H]1CCc2c(C1)c1nccnc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1 |r|
CN([C@@H]1CCc2c(CC(O)=O)c3ncccc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
FC(F)(F)c1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 |r|
Cc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1ccccc1Cl
Cc1ccccc1NC(=O)NC(=O)CSc1nc2ccccc2nc1C
Cc1ccc(NC(=O)NC(=O)CSc2nc3ccccc3nc2C)cc1
Cc1ccc(C)c(NC(=O)NC(=O)CSc2nc3ccccc3nc2C)c1
Cc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1cccc(F)c1C
FC(F)(F)c1nc2ccccc2nc1SCC(=O)NC(=O)Nc1ccccc1Cl
CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(cc2)-c2nccs2)c2ccc(OCc3ccccn3)cc12
CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(cc2)-c2cccnc2)c2ccc(OCc3ccccn3)cc12
CC(C)(C)Sc1c2cc(ccc2n(c1CC(C)(C)C(=O)O)Cc3ccc(cc3)Cl)OCc4ccc5ccccc5n4
CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccccn3)cc12
COc1ccc(nn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccccn4)ccc23)cc1
CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(cc2)-c2ncccn2)c2ccc(OCc3ccccn3)cc12
COc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccccn4)ccc23)cc1
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)NC(Cn2ccnc2)c2ccccc2)c1
Cc1nccn1CC(NC(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccccc1
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)N2CCn3cccc3C2c2ccccc2)c1
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)NC(Cc2cnccn2)c2ccccc2)c1
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)NC(Cn2cccn2)c2ccccc2)c1
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)NC(c2ncc[nH]2)c2ccccc2)c1
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)NC(CN2CCOCC2)c2ccccc2)c1
OC[C@@H](NC(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccccc1 |r|
CC(Cn1ccnc1)NC(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)NC(Cn2cncn2)c2ccccc2)c1
Cc1cc(C)n(CC(NC(=O)NC2CCN(Cc3ccn(c3)-c3ccc(cc3)C(F)(F)F)CC2)c2ccccc2)n1
CC1CCN(CC1)C(=O)c1ccc2cc(OCCCN3CCCCC3)ccc2c1
CC(C)N1CCC(CC1)Oc1ccc2cc(ccc2c1)C(=O)N1CCOCC1
CN(C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1)c1nccc(=O)[nH]1
COc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)n2cc(C)cn2)cc1
Cc1cnn(c1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
Fc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)n2cccn2)cc1
Fc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)n2ccnc2)cc1
Fc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)n2cccc2)cc1
Fc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)N2CCCCC2=O)cc1
CN(C)CCN(C)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
COc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)NCC2CCOCC2)cc1
Fc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)NCC2CCOCC2)cc1
CN(CCO)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
COCCN(C)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
COc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)N(C)CC2CCOCC2)cc1
CN(CC1CCOCC1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
COc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)N(C)C)cc1
CN(C)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(C)cc1
CN(C)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1C1CCN(CC1)C(N)=O |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccn(C)c(=O)c1 |r|
Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@H]3c3ccc(cc3)C(F)(F)F)C2)n1C |r|
Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@H]3c3ccc(F)cc3)C2)n1C |r|
Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@@H]3c3ccc(cc3F)C(F)(F)F)C2)n1C |r|
Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@H]3c3ccccc3)C2)n1C |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(cc1)C(N)=O |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1cccc(c1)C(N)=O |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(cc1)-c1ncco1 |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3F)C(F)(F)F)C2)nnc1-c1cccnc1 |r|
Cc1ncccc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(nc1)C(N)=O |r|
Cc1nc(ccc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C)C(N)=O |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1C1=CCC(=O)N=C1 |r,c:36,t:31|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(=O)n(C)c1 |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1C1CCNC(=O)C1 |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(CC(N)=O)cc1 |r|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1C1CCOCC1 |r|
Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C |r|
CC(=O)NC1CCC(CC1)c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C |r,wU:21.36,23.25,(23.01,-43.94,;22.38,-42.53,;23.29,-41.28,;20.85,-42.37,;20.22,-40.96,;18.69,-40.8,;18.07,-39.41,;18.97,-38.16,;20.5,-38.31,;21.12,-39.72,;18.34,-36.76,;19.11,-35.42,;18.07,-34.28,;16.66,-34.91,;15.33,-34.15,;14,-34.92,;12.66,-34.15,;11.33,-34.92,;9.99,-34.16,;9.83,-32.63,;8.32,-32.31,;7.55,-33.64,;6.11,-33.09,;6.35,-34.62,;5.81,-36.05,;4.28,-36.29,;3.73,-37.73,;4.71,-38.93,;6.23,-38.68,;6.78,-37.24,;4.16,-40.37,;2.64,-40.61,;5.13,-41.56,;3.75,-41.85,;8.59,-34.79,;16.83,-36.44,;15.69,-37.48,)|
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1cccnc1C(F)(F)F |r|
Cc1nc(ccc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C)C(O)=O |r|
Fc1ccc(NC(=O)N2N=C(CC2c2ccc(F)cc2)c2ccncc2)cc1 |c:9|
CC(C)[C@H]1N(Cc2cn(nc12)-c1cccc(c1)S(C)(=O)=O)c1cc(nc(C)n1)C(F)(F)F |r|
COc1cc(ccn1)N1Cc2cn(nc2[C@H]1C(C)C)-c1cccc(c1)S(C)(=O)=O |r|
CC(C)[C@H]1N(Cc2cn(nc12)-c1cccc(c1)S(C)(=O)=O)c1cc(ncn1)C(F)(F)F |r|
CC(C)[C@H]1N(Cc2cn(nc12)-c1cccc(c1)S(C)(=O)=O)c1nccc(n1)C(F)(F)F |r|
CC(C)[C@H]1N(Cc2cn(nc12)-c1ccc(CO)c(c1)S(C)(=O)=O)c1ncc(CO)c(n1)C(F)(F)F |r|
COc1cc(nc(C)n1)N1Cc2cn(nc2[C@H]1C(C)C)-c1cccc(c1)S(C)(=O)=O |r|
COc1cc(cc(C)n1)N1Cc2cn(nc2[C@H]1C(C)C)-c1cccc(c1)S(C)(=O)=O |r|
COc1ncc(F)c(n1)N1Cc2cn(nc2[C@H]1C(C)C)-c1cccc(c1)S(C)(=O)=O |r|
CC(C)[C@H]1N(Cc2cn(nc12)-c1cccc(c1)S(C)(=O)=O)c1ccnc(n1)C(F)(F)F |r|
CC(C)[C@H]1N(Cc2cn(nc12)-c1cccc(c1)S(C)(=O)=O)c1ncc(CO)c(n1)C(F)(F)F |r|
COc1ncnc(N2Cc3cn(nc3[C@H]2C(C)C)-c2cccc(c2)S(C)(=O)=O)c1F |r|
COc1cc(ccn1)N1Cc2cn(nc2[C@H]1C(C)(C)C)-c1cccc(c1)S(C)(=O)=O |r|
C[C@@H](C1=Cc2cccc(c2C(=O)N1c3ccccc3)C#Cc4cnn(c4)C)NC(=O)c5c(nn6c5nccc6)N
Cn1c(NCCc2ccc(cc2)-c2ccc(F)cc2)nc2cc(N)ccc2c1=O
Cn1c(NCCc2ccc(cc2)N2CCOCC2)nc2cc(Cl)ccc2c1=O
Cn1c(NCCc2ccc(cc2)-c2ncc(F)cn2)nc2cc(Cl)ccc2c1=O
Cn1c(NCCc2ccc(Oc3ccc(Cl)cc3)cc2)nc2cc(Cl)ccc2c1=O
COc1ccc(CCNc2nc3cc(Cl)ccc3c(=O)n2C)nc1
Cn1c(NCCc2ccc(cc2)-c2ncccn2)nc2cc(Cl)ccc2c1=O
Cn1c(NCCc2ccccc2)nc2cc(Cl)ccc2c1=O
Cn1c(NCCc2ccc(cc2)-n2cccn2)nc2cc(Cl)ccc2c1=O
COc1ccc(CCNc2nc3cc(C)ccc3c(=O)n2C)cc1
Cn1c(NCCc2ccc(OC(F)(F)F)cc2)nc2cc(Cl)ccc2c1=O
Cn1c(NCCc2ccc(cc2)-c2ccc(F)cc2)nc2cc(Cl)ccc2c1=O
Cn1c(NCCc2ccc(cc2)-c2ncc(Cl)cn2)nc2cc(Cl)ccc2c1=O
COc1ccc(CCNc2nc3cc(OC)ccc3c(=O)n2C)cc1
Cn1c(NCCc2ccc(cc2)-c2ccccc2)nc2cc(Cl)ccc2c1=O
COc1ccc(cc1)-c1ccc(CCNc2nc3cc(Cl)ccc3c(=O)n2C)cc1
Cn1c(NCCc2ccc(cc2)-c2ccccn2)nc2cc(Cl)ccc2c1=O
Cn1c(NCCc2ccc(cc2)-n2cc(Cl)cn2)nc2cc(Cl)ccc2c1=O
Cn1c(NCCc2ccc(Oc3ccc(Cl)cn3)cc2)nc2cc(Cl)ccc2c1=O
Cn1c(NCCc2ccc(cc2)-c2ccc(F)cn2)nc2cc(Cl)ccc2c1=O
COc1cnc(nc1)-c1ccc(CCNc2nc3cc(Cl)ccc3c(=O)n2C)cc1
Cn1c(NCCc2ccc(cc2)-c2ccc(Cl)cn2)nc2cc(Cl)ccc2c1=O
COc1ccc(CCNc2nc3cc(Cl)ccc3c(=O)n2C)cc1
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(C)CC2)ncc1Cl)C(N)=O |r,c:5|
CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r|
CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r|
COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16|
[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(C)CC2)ncc1Cl)C(N)=O |r,c:5|
CC1(C)N=C(N)N=C(N)N1c1ccc(Cc2ccccc2)cc1 |t:3,6|
C[C@H]1N(CCc2c1ncn2-c1ccc(F)cn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1
[H][C@@]1(CCc2c(C1)[nH]c1c(cc(F)c(-c3cccc(c3C)-n3c(=O)n(C)c4c(F)cccc4c3=O)c21)C(O)=N)C(C)(C)O |r,wU:1.0,(7.64,3.3,;7.24,1.81,;5.84,2.47,;4.58,1.59,;4.71,.05,;6.1,-.6,;7.37,.28,;4.84,-1.48,;3.3,-1.34,;2.9,-2.83,;1.41,-3.22,;.33,-2.13,;-1.16,-2.53,;.73,-.64,;-.36,.45,;.05,1.93,;-1.04,3.03,;-2.53,2.63,;-2.93,1.15,;-1.85,.05,;-2.25,-1.43,;-4.42,.75,;-4.82,-.73,;-3.74,-1.83,;-6.31,-1.13,;-6.71,-2.62,;-7.4,-.04,;-8.89,-.43,;-9.29,-1.92,;-9.97,.66,;-9.57,2.15,;-8.08,2.54,;-6.99,1.45,;-5.51,1.84,;-5.1,3.33,;2.22,-.25,;3.99,-3.92,;5.48,-3.53,;3.58,-5.41,;8.77,1.67,;8.91,3.21,;8.63,.14,;10.3,1.53,)|
CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(c2)C(F)(F)F)nc2cccc(C)c12 |r|
Cc1cccc2c1n(c(n2)NC(=O)c3ccnc(c3)C)[C@@H]4CCCCN(C4)C(=O)C=CCN(C)C
CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(C)c2)nc2cccc(Cl)c12 |r|
CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cccc(C)c12 |r|
Cc1cccc2nc(NC(=O)c3cccc(c3)C(F)(F)F)n([C@@H]3CCCCN(C3)C(=O)C=C)c12 |r|
CC(C)c1cc(CNC(=O)c2ccc(Cl)c(OC3CCN(C)CC3)c2)on1
Cc1nnc(C)n1-c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N2CC[C@@H](O)C2)c(F)c1 |r|
OC(=O)c1c(nc2c(Cl)cc(Cl)cc2c1-c1ccccc1)N1CCCCC1
CC(C)c1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(O)=O
Clc1ccc2nc(N3CCCCC3)c(-c3nnn[nH]3)c(-c3ccccc3)c2c1
Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(O)=O
OC(=O)c1c(nc2ccc(Cl)cc2c1-c1ccccc1)N1CCCCC1
Cc1cc(Cl)cc2c(-c3ccccc3)c(C(O)=O)c(nc12)N1CCCCC1
CC(C)c1cccc(c1)-c1c(C(O)=O)c(nc2ccc(Cl)cc12)N(C)C
Clc1ccc2nc(N3CCCCC3)c(-c3n[nH]c(=S)o3)c(-c3ccccc3)c2c1
Clc1ccc2nc(N3CCCCC3)c(-c3n[nH]c(=O)o3)c(-c3ccccc3)c2c1
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C2)NC(=O)[C@H](CC1CCCCC1)NS(=O)(=O)N[C@@H](CCCCN)C(O)=O
CC1(CCS(=O)(=O)CC1)[C@H]1CN(CCOc2ccc(F)c(F)c2)C(=O)C1 |r|
CC1(CCS(=O)(=O)CC1)[C@@H]2CC(=O)N(C2)CCOc3ccc(c(c3)C#N)F
CN1CCC(C)(CC1)C1CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1
CC1(CCNCC1)C1CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1
[H][C@@]12C[C@]1([H])C[C@@H](C2)OC(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]1(C[C@H]1C1CC1)C(=O)NS(=O)(=O)C1CC1)Oc1ncc(OC)c2ccc(Cl)cc12)C(C)(C)C |r|
[H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12)C(=O)NC |r|
C[C@@H]1CN(Cc2ccccc2)c2cnccc2[C@H](C)N1C(=O)NCc1ccccc1 |r|
Cc1nccn1-c1ccc(cc1)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Cc1nccn1-c1ccc(cn1)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
Cc1cn(cn1)-c1ccc(cc1F)-c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
O=C(NCc1cccnc1)Nc1ccc(cc1)S(=O)(=O)N1CC2CCC(C1)O2
c1ccc(cc1)C(=O)N2CCC(CC2)CCCCNC(=O)/C=C/c3cccnc3
c1cc(ccc1CNC(=O)c2ccc3nccn3c2)S(=O)(=O)c4cc(cc(c4)F)F
CC1(COC1)OC(=O)N1CCC2(C[C@@H]2CNC(=O)N2Cc3ccncc3C2)CC1 |r|
FC(F)(F)c1cccc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cnc3[nH]ncc3c2)cc1
Cc1ccc(cn1)S(=O)(=O)c1ccc(CNC(=O)N2Cc3ccncc3C2)cc1
Clc1ccc(OCCCCCCNC(Nc2ccncc2)=NC#N)cc1 |w:21.22|
c1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=O)[C@H]3C[C@@H]3c4cccnc4
FC(F)S(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
CS(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
Clc1ccc(c(Cl)c1)[C@]1(Cn2ccnc2)OC[C@@H](COc2ccc(cc2)N2CCN(CC2)S(=O)(=O)C2CC2)O1 |r|
COCCS(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
FC(F)(F)S(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
Clc1ccc(c(Cl)c1)[C@]1(Cn2ccnc2)OC[C@@H](COc2ccc(cc2)N2CCN(CC2)S(=O)(=O)CC#N)O1 |r|
CS(=O)(=O)CS(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
CC(C)S(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
Clc1ccc(c(Cl)c1)[C@]1(Cn2ccnc2)OC[C@@H](COc2ccc(cc2)N2CCN(CC2)S(=O)(=O)C2CCOCC2)O1 |r|
Clc1ccc(c(Cl)c1)[C@]1(Cn2ccnc2)OC[C@@H](COc2ccc(cc2)N2CCN(CC2)S(=O)(=O)c2cccs2)O1 |r|
CCS(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
Cn1ccnc1S(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
Cc1cc(cc(C)c1OCCCC(O)=O)-c1cc(OC(F)(F)F)ccc1Cl
OC(=O)CCCOc1ccc(cc1)-c1cc(OC(F)(F)F)ccc1Cl
OC(=O)CCc1cc2cc(ccc2o1)-c1cc(OC(F)(F)F)ccc1F
[H][C@@]12COc3c(F)ccc(F)c3[C@@]1(CCO[C@H]2CCS(=O)(=O)CCN)S(=O)(=O)c1ccc(Cl)cc1 |r|
[H][C@@]12COc3c(F)ccc(F)c3[C@@]1(CCO[C@H]2CCS(=O)(=O)CCC(C)(C)NC)S(=O)(=O)c1ccc(Cl)cc1 |r|
[H][C@@]12COc3c(F)ccc(F)c3[C@@]1(CCO[C@H]2CCS(=O)(=O)[C@H]1CCNC1)S(=O)(=O)c1ccc(Cl)cc1 |r|
[H][C@@]12COc3c(F)ccc(F)c3[C@@]1(CCO[C@H]2CCS(=O)(=O)CCNC)S(=O)(=O)c1ccc(Cl)cc1 |r|
[H][C@@]12COc3c(F)ccc(F)c3[C@@]1(CCO[C@H]2CCS(=O)(=O)CCNCC)S(=O)(=O)c1ccc(Cl)cc1 |r|
[H][C@@]12COc3c(F)ccc(F)c3[C@@]1(CCO[C@H]2CCS(=O)(=O)C[C@@H]1CCCN1)S(=O)(=O)c1ccc(Cl)cc1 |r|
[H][C@@]12COc3c(F)ccc(F)c3[C@@]1(CCO[C@H]2CCS(=O)(=O)CCN1CCNCC1)S(=O)(=O)c1ccc(Cl)cc1 |r|
[H][C@@]12COc3c(F)ccc(F)c3[C@@]1(CCO[C@H]2CCS(=O)(=O)CCN(C)C)S(=O)(=O)c1ccc(Cl)cc1 |r|
[H][C@@]12COc3c(F)ccc(F)c3[C@@]1(CCO[C@H]2CCS(=O)(=O)[C@@H]1CCNC1)S(=O)(=O)c1ccc(Cl)cc1 |r|
[H][C@@]12COc3c(F)ccc(F)c3[C@@]1(CCO[C@H]2CCS(=O)(=O)C[C@H]1CCCN1)S(=O)(=O)c1ccc(Cl)cc1 |r|
[H][C@@]12COc3c(F)ccc(F)c3[C@@]1(CCO[C@H]2CCS(=O)(=O)CC1=NCCN1)S(=O)(=O)c1ccc(Cl)cc1 |r,t:26|
CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1ccccc1 |r,c:21|
CNCC1=CC(=O)Oc2c1ccc(c2)OCc3cccc(c3)Cl
[H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(cn1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r|
Cc1cc(ccc1O)-c1csc(c1)-c1cccc(O)c1
Oc1cccc(c1)-c1ccc(s1)-c1ccc(O)c(F)c1
Cc1cc(ccc1O)-c1ccc(s1)-c1cccc(O)c1
COc1ccc(CCN2[C@@H](CN(NS(C)(=O)=O)C2=O)c2ccc(OC)cc2)cc1 |r|
OCCN1CCN(CC1)C(=O)CC1(CC1)[C@H]1COC[C@@H](C2CC2)N1S(=O)(=O)c1ccc(F)cc1 |r|
[H][C@]12CCC[C@@]1([H])N([C@H](CO2)C1(CC(=O)N2CC[C@@H](O)C2)CC1)S(=O)(=O)c1ccc(Cl)cc1 |r|
CC(=O)N1C2CCC1CN(C2)C(=O)CC1(CC1)[C@H]1COC[C@@H](C2CC2)N1S(=O)(=O)c1ccc(Cl)cc1 |r,TLB:1:3:9.10.8:5.6,THB:11:9:3:5.6|
[H][C@]12CCC[C@@]1([H])N([C@H](CO2)C1(CC(=O)N2CC[C@@H](CO)C2)CC1)S(=O)(=O)c1ccc(Cl)cc1 |r|
Clc1ccc(cc1)S(=O)(=O)N1[C@@H](COC[C@@H]1C1(CC(=O)N2C3CCC2CC(C3)N2CCCCC2)CC1)C1CC1 |r,TLB:28:26:20:22.23,18:20:26.27.25:22.23|
C[C@H]1CN(CCN1C(=O)CC1(CC1)[C@H]1COC[C@@H](C2CC2)N1S(=O)(=O)c1ccc(F)cc1)C(C)(C)CO |r|
OCCN1C2CCC1CN(C2)C(=O)CC1(CC1)[C@H]1COC[C@@H](C2CC2)N1S(=O)(=O)c1ccc(Cl)cc1 |r,TLB:2:3:9.10.8:5.6,THB:11:9:3:5.6|
[H][C@]12CCC[C@@]1([H])N([C@H](CO2)C1(CC(=O)N2CC3CCC(C2)N3C(C)=O)CC1)S(=O)(=O)c1ccc(Cl)cc1 |r,TLB:13:15:22:18.19,23:22:15.16.21:18.19|
Clc1ccc(cc1)S(=O)(=O)N1[C@@H](COC[C@@H]1C1(CC(=O)N2CC3CCC(C2)N3)CC1)C1CC1 |r,THB:18:20:27:23.24|
OC(C(=O)N1C2CCC1CC(C2)N1CCCCC1)C1(CC1)[C@H]1COC[C@@H](C2CC2)N1S(=O)(=O)c1ccc(Cl)cc1 |r,TLB:12:10:4:6.7,2:4:10.11.9:6.7|
Fc1ccc(cc1)S(=O)(=O)N1[C@@H](COC[C@@H]1C1(CC(=O)N2CCC(CC2)N2CCCCC2)CC1)C1CC1 |r|
[H][C@]12CCC[C@@]1([H])N([C@H](CO2)C1(CC(=O)N2CCC(CC2)N2CCCCC2)CC1)S(=O)(=O)c1ccc(Cl)cc1 |r|
CC(C)(CO)N1CCN(CC1)C(=O)CC1(CC1)[C@H]1COC[C@@H](C2CC2)N1S(=O)(=O)c1ccc(Cl)cc1 |r|
CC(=O)N1CCN(CC1)C(=O)CC1(CC1)[C@H]1COC[C@@H](C2CC2)N1S(=O)(=O)c1ccc(F)cc1 |r|
[H][C@]12CCC[C@@]1([H])N([C@H](CO2)C1(CC(=O)N2CCC(CO)CC2)CC1)S(=O)(=O)c1ccc(Cl)cc1 |r|
OC(C(=O)N1CC2CCC(C1)N2)C1(CC1)[C@H]1COC[C@@H](C2CC2)N1S(=O)(=O)c1ccc(Cl)cc1 |r,TLB:2:4:11:7.8|
CC(C)(C)[Si](C)(C)OC[C@@H]1OC(C)(C)O[C@H]1[C@H](O)[C@@H](CNC(=O)c1ccccc1)c1ccc2OCOc2c1 |r|
COCO[C@H]([C@@H](CNC(=O)c1ccccc1)c1ccc2OCOc2c1)[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C |r|
COCO[C@H]([C@@H](CNC(=O)c1ccccc1)c1ccc2OCOc2c1)[C@@H]1OC(C)(C)O[C@H]1CO |r|
COCO[C@H]([C@@H](CNC(=O)OC(C)(C)C)c1ccc2OCOc2c1)[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C |r|
COCO[C@H]([C@@H](CNC(=O)c1ccccc1)c1ccc2OCOc2c1)[C@@H]1OC(C)(C)O[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C |r|
COCO[C@H]([C@@H](CNC(=O)c1ccccc1)c1ccc2OCOc2c1)[C@@H]1OC(C)(C)O[C@H]1COS(=O)(=O)c1ccc(C)cc1 |r|
COCO[C@H]([C@@H](CNC(=O)c1ccccc1)c1ccc2OCOc2c1)[C@@H]1OC(C)(C)O[C@H]1COC(C)=O |r|
C[C@H](NC(=O)C(C)(C)Nc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r|
C[C@H](NC(C)(C)C(=O)Nc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r|
COc1cc2CCN(Cc2cc1OC)C(=O)C12CC3CC(C1)CC(C3)(C2)c1ccc(OCC(=O)Nc2cccc3cccnc23)cc1 |TLB:24:23:17.18.19:21,THB:24:18:21:25.23.22,22:23:17:19.20.21,22:20:17:25.24.23,26:23:17:19.20.21,26:23:17.18.19:21|
COc1cc2CCN(Cc2cc1OC)C(=O)C12CC3CC(C1)CC(C3)(C2)c1ccc(OCC(=O)Nc2cccc(c2)C#N)cc1 |TLB:24:23:17.18.19:21,THB:24:18:21:25.23.22,22:23:17:19.20.21,22:20:17:25.24.23,26:23:17:19.20.21,26:23:17.18.19:21|
COC(=O)c1ccccc1NC(=O)COc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)N1CCc3cc(OC)c(OC)cc3C1)C2 |TLB:46:21:28:24.25.26,18:21:28:24.25.26,18:21:28.23.24:26,THB:22:23:26:29.21.46,22:21:28.23.24:26,46:25:28:29.22.21|
COC(=O)c1cccc(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)(C2)C(=O)N2CCN(Cc4cccc(OC)c4)CC2)C3)c1 |TLB:46:20:27:23.24.25,17:20:27:23.24.25,17:20:27.22.23:25,THB:21:22:25:28.20.46,21:20:27.22.23:25,46:24:27:28.21.20|
COC(=O)c1cccc(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)(C2)C(=O)N2CCN(Cc4ccc(OC)cc4)CC2)C3)c1 |TLB:46:20:27:23.24.25,17:20:27:23.24.25,17:20:27.22.23:25,THB:21:22:25:28.20.46,21:20:27.22.23:25,46:24:27:28.21.20|
COC(=O)c1cccc(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)(C2)C(=O)N2CCN(Cc4ccc(cc4)C(F)(F)F)CC2)C3)c1 |TLB:48:20:27:23.24.25,17:20:27:23.24.25,17:20:27.22.23:25,THB:21:22:25:28.20.48,21:20:27.22.23:25,48:24:27:28.21.20|
CC(C)n1cnc(c1)-c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccccc1Cl
CC1(CC(=O)NCCNc2ccnc3cc(Cl)ccc23)CC2(CCCCC2)OO1
CC(C)(C)c1ccc(CNC(=O)CC2(C)CC3(CCCCC3)OO2)cc1
COc1cccc(CNC(=O)CC2(C)CC3(CCCCC3)OO2)c1
CCOc1ccccc1CNC(=O)CC1(C)CC2(CCCCC2)OO1
COc1cc(CNC(=O)CC2(C)CC3(CCCCC3)OO2)cc(OC)c1
COc1cc(CNC(=O)CC2(C)CC3(CCCCC3)OO2)cc(OC)c1OC
CC1(CC(=O)NCc2cccc(c2)C(F)(F)F)CC2(CCCCC2)OO1
CC1(CC(=O)NCc2ccc(OC(F)F)cc2)CC2(CCCCC2)OO1
CC1(CC(=O)NCc2ccccc2OC(F)(F)F)CC2(CCCCC2)OO1
CC1(CC(=O)NCc2ccc(OC(F)(F)F)cc2)CC2(CCCCC2)OO1
CC1(CC(=O)NCc2cccc(Cl)c2)CC2(CCCCC2)OO1
CC1(CC(=O)NCc2cccc(Br)c2)CC2(CCCCC2)OO1
CC1(CC(=O)NCc2ccc(Br)cc2F)CC2(CCCCC2)OO1
CC(C)(C)OC(=O)Nc1cccc(CCNC(=O)CC2(C)CC3(CCCCC3)OO2)c1
CC1(CC(=O)NCc2ccc(cc2)C(O)=O)CC2(CCCCC2)OO1
COC(=O)c1ccc(CNC(=O)CC2(C)CC3(CCCCC3)OO2)cc1
CC1(CC(=O)NCc2ccccc2N)CC2(CCCCC2)OO1
CN(C)c1ccc(CNC(=O)CC2(C)CC3(CCCCC3)OO2)cc1
CC1(CC(=O)NCc2ccc(cc2)[N+]([O-])=O)CC2(CCCCC2)OO1
CSc1ccc(CNC(=O)CC2(C)CC3(CCCCC3)OO2)cc1
CC1(CC(=O)NCc2ccc(cc2)S(N)(=O)=O)CC2(CCCCC2)OO1
CC1(CC(=O)NCc2ccccc2N2CCCCC2)CC2(CCCCC2)OO1
CC1(CC(=O)NCc2ccc(cc2)N2CCOCC2)CC2(CCCCC2)OO1
CC1(CC(=O)NCc2ccccc2Sc2ccccc2CO)CC2(CCCCC2)OO1
CC1(CC(=O)NCc2ccc3CCOc3c2)CC2(CCCCC2)OO1
CC1(CC(=O)NCc2ccc3OCCOc3c2)CC2(CCCCC2)OO1
CC1(CC(=O)NCc2ccc3OC=CCOc3c2)CC2(CCCCC2)OO1 |c:12|
CC1(CC(=O)NCc2ccccn2)CC2(CCCCC2)OO1
CC1(CC(=O)NCc2ccncc2)CC2(CCCCC2)OO1
C[C@@H](CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N |r|
Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccncc3)n2)n[nH]1
Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccc(C)nc3C)n2)n[nH]1
Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccccc3)n2)n[nH]1
Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccccc3F)n2)n[nH]1
Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccccn3)n2)n[nH]1
Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccc(C)nc3)n2)n[nH]1
Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3cccnc3C)n2)n[nH]1
CCc1ccc(OCCNc2nc(Nc3cc(C)[nH]n3)cc(C)c2C#N)cn1
Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3cccnc3)n2)n[nH]1
Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccccc3Cl)n2)n[nH]1
Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12
Cn1ccc2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCOCC3)c12
C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2cccnc12)C(=O)c1ccccc1 |r|
C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ccncc12)C(=O)c1ccccc1 |r|
C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2cnccc12)C(=O)c1ccccc1 |r|
C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ncccc12)C(=O)c1ccccc1
C[C@@H]1CN(CCN1C(=O)C(=O)c2c[nH]c3c2c(ccn3)OC)C(=O)c4ccccc4
COc1cnc(OC)c2[nH]cc(C(=O)C(=O)N3CCN(CC3)C(=O)c3ccccc3)c12
C[C@@H]1CN(CCN1C(=O)C(=O)c1c[nH]c2ccccc12)C(=O)c1ccccc1 |r|
Fc1cncc(c1)-c1nc2cc(F)c(Cl)cn2c1C1CC1
C[C@](O)(c1cncc(c1)-c1nc2ccc(F)cn2c1C1CC1)C(F)(F)F |r|
Cc1c(F)cncc1-c1nc2ccc(F)cn2c1C1CC1
CCc1c(F)cncc1-c1nc2ccc(F)cn2c1C1CC1
Fc1ccc2nc(c(C3CC3)n2c1)-c1cncc(F)c1
Fc1ccc2nc(c(C3CC3)n2c1)-c1cncc2ccccc12
CO[C@H]1C[C@@H](C1)Oc1cc(F)c(F)c(n1)-c1ccc2O[C@@H](CCC(O)=O)CCc2c1 |r,wU:4.6,wD:20.22,2.1,(19.4,-3.02,;19.4,-4.56,;20.74,-5.33,;21.14,-6.82,;22.62,-6.41,;22.23,-4.93,;23.96,-7.18,;25.29,-6.4,;25.28,-4.85,;26.62,-4.08,;26.62,-2.54,;27.95,-4.85,;29.29,-4.08,;27.95,-6.39,;26.62,-7.16,;29.28,-7.16,;29.28,-8.71,;30.61,-9.48,;31.94,-8.71,;33.28,-9.49,;34.63,-8.72,;35.96,-9.49,;37.3,-8.72,;38.63,-9.5,;38.63,-11.04,;39.97,-8.73,;34.63,-7.16,;33.28,-6.38,;31.94,-7.16,;30.61,-6.39,)|
COc1ccc2c(OCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1
COc1ccc2c(OCc3nnc4ccc(nn34)-c3ccc(F)c(F)c3)ccnc2c1
COc1ccc2c(OCc3nnc4ccc(nn34)-c3cc(F)cc(F)c3)ccnc2c1
COc1ccc2c(OCc3nnc4ccc(nn34)-c3cc(C)ns3)ccnc2c1
COc1ccc2c(O[C@@H](C)c3nnc4ccc(nn34)-c3ccccc3)ccnc2c1 |r|
COc1ccc2c(O[C@H](C)c3nnc4ccc(nn34)-c3ccccc3)ccnc2c1 |r|
COc1ccc2c(NCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1
COc1ccc2c(SCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1
COc1cnc2c(NCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1
COc1cnc2c(NCc3nnc4ccc(nn34)-c3ccc(F)c(F)c3)ccnc2c1
COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(F)c(F)c(F)c3)ccnc2c1
COc1cnc2c(NCc3nnc4ccc(nn34)-c3cc(F)cc(F)c3)ccnc2c1
Nc1ccc2c(COc3cc(F)c(Cl)c(Oc4cc(Cl)cc(c4)C#N)c3)n[nH]c2n1
Cc1nnc2sc(C(=O)NCc3ccc(cc3)S(F)(F)(F)(F)F)c(N)c2c1C
Cc1nnc2sc(C(=O)NCc3ccc(cc3)S(=O)(=O)C(F)F)c(N)c2c1C
Cc1c(nnc2c1c(c(s2)C(=O)NCc3ccc(cc3)S(=O)(=O)C(F)(F)F)N)C
CC(C)COC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(cc1)-c1ccccc1F |r|
CC(C)COC(=O)[C@@H](Cn1cncn1)NC(=O)c1ccc(cc1)-c1ccccc1F |r|
Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(\C=C\C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12
Cc1cc(NC2CCCCC2)nc(NCc2ccccc2)n1
COc1cnc(nc1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OC[C@@H]4Cc5ccccc5N4C(C)=O)ccc23)cc1 |r|
Oc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4n(C5CCCCC5)c(nc4c3)-c3ccoc3)c3cscn3)c2c1 |r|
C[C@@H](NC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccoc1)C(=O)Nc1ccc(\C=C\C(O)=O)cc1 |r|
NC[C@H]1CC[C@]2(CC1)OO[C@@]1(O2)C2CC3CC(C2)CC1C3 |r,wU:10.10,2.1,wD:5.12,TLB:20:19:15.14.13:17,11:10:16.17.18:14.13.20,9:10:15.14.13:17,THB:20:14:17:10.18.19,11:10:15.14.13:17,9:10:16.17.18:14.13.20,15:14:10:16.17.18,15:16:10:14.13.20,(42.83,-6.44,;42.06,-5.09,;40.52,-5.09,;39.74,-6.41,;38.21,-6.41,;37.44,-5.07,;38.21,-3.74,;39.75,-3.75,;36.96,-3.61,;35.42,-3.62,;34.95,-5.09,;36.2,-5.99,;33.79,-6.1,;32.6,-5.28,;32.09,-3.96,;30.33,-3.92,;31.64,-4.76,;32.15,-6.19,;32.83,-3.69,;34.45,-3.65,;33.19,-2.96,)|
FC(F)(F)c1ccccc1OC1CCN(CC1)c1ccc(nn1)-n1ccnc1
Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r|
Cc1n[nH]c2ncc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r|
Cc1n[nH]c2ccc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r|
Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r|
Cc1[nH]nc2cnc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r|
Cc1n[nH]c2cnc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r|
Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1C |r|
Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C |r|
Cc1n[nH]c2ncc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C |r|
Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C |r|
Cc1n[nH]c2cnc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C |r|
Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(nc1-c1ccoc1)C#N |r|
Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(C)nc1-c1ccoc1 |r|
Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2ccccc2)c(N)nc1-c1ccoc1C |r|
CCNc1nc(-c2ccoc2)c(cc1OC[C@@H](N)Cc1ccccc1)-c1cnc2[nH]nc(C)c2n1 |r|
Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c(Cl)[nH]c3ccccc23)c(N)nc1-c1ccoc1C |r|
Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c([nH]c3ccccc23)C#N)c(N)nc1-c1ccoc1C |r|
Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c([nH]c3ccccc23)C(N)=O)c(N)nc1-c1ccoc1C |r|
OC(=O)CC1CC2(CCN(CC2)C(=O)NC2C3CC4CC(C3)CC2C4)c2c1cccc2Br |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24,(3.99,-32.71,;3.22,-31.38,;3.99,-30.03,;1.67,-31.37,;.9,-32.71,;-.64,-32.74,;-1.09,-34.21,;-1.15,-35.76,;-2.5,-36.49,;-3.81,-35.67,;-3.78,-34.13,;-2.42,-33.4,;-5.17,-36.41,;-5.21,-37.95,;-6.48,-35.6,;-7.84,-36.34,;-7.85,-37.87,;-9.25,-38.22,;-10.58,-37.73,;-11.78,-39.01,;-10.28,-38.58,;-8.87,-39.15,;-10.28,-36.99,;-9.24,-35.76,;-10.59,-36.24,;.17,-35.09,;1.4,-34.17,;2.81,-34.76,;3,-36.28,;1.77,-37.21,;.36,-36.61,;-.88,-37.54,)|
O[C@@H](CN1[C@H](COc2c1cccc2-c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F |r|
c1cc(ccc1CNC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl
CC(C)(C)c1ccc(CC2(N)CCN(CC2)c2ncnc3[nH]ccc23)cc1
NC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ncnc2[nH]ccc12
COc1c(cc(cc1C(C)(C)C)C(=O)Cn1c(NCCCO)nc2cc(C)c(C)cc12)C(C)(C)C
Cc1cc2nc(NCCCO)n(CC(=O)c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)c2cc1C
COCCCNc1nc2cc(C)c(C)cc2n1CC(=O)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
Clc1ccc(cc1Cl)[C@]1(COC2CCC2)[C@H]2CNC[C@@H]12 |r|
Clc1ccc(cc1Cl)[C@]1(COCC2CC2)[C@H]2CNC[C@@H]12 |r|
COC[C@@H]1[C@H]2CNC[C@@]12c1ccc2ccccc2c1 |r|
CC(C)OC[C@@H]1[C@H]2CNC[C@@]12c1ccc(Cl)c(Cl)c1 |r|
CCOC[C@H]1[C@@H]2CNC[C@]12c1ccc(Cl)c(Cl)c1 |r|
COC[C@H]1[C@@H]2CNC[C@]12c1ccc(Cl)c(Cl)c1 |r|
Clc1ccc(cc1Cl)[C@@]12CNC[C@@H]1[C@H]2COCC1CC1 |r|
C1N=C(Nc2cc3ccccc3cn2)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,TLB:14:15:18.19:22.21,THB:0:15:18.19:22.21,(17.63,-8.02,;19,-7.33,;18.76,-5.81,;19.85,-4.72,;21.34,-5.11,;22.41,-4.02,;23.9,-4.41,;24.98,-3.32,;26.47,-3.71,;26.88,-5.2,;25.79,-6.3,;24.3,-5.9,;23.22,-7,;21.73,-6.6,;17.24,-5.56,;16.54,-6.93,;15.8,-8.21,;14.52,-7.62,;14.52,-5.71,;15.36,-4.63,;15.36,-6.25,;13.79,-6.93,;13,-8.11,)|
Cc1cccc2N3CCNCC3NC(=O)c12
Cn1cnc(c1)C(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)[C@@H]1C[C@@H]2CNC[C@@H]2C1 |r|
Cn1cnc(c1)C(=O)N(Cc1cccc(OC(F)(F)F)c1)[C@@H]1C[C@@H]2CNC[C@@H]2C1 |r|
Cn1cnc(c1)C(=O)N(Cc1cccc(Cl)c1)[C@@H]1CC[C@H](N)CC1
Cn1cnc(c1)C(=O)N(Cc1ccc(F)c(OC2CCCC2)c1)[C@@H]1C[C@@H]2CNC[C@@H]2C1 |r|
CC(C)Oc1cccc(CN([C@@H]2C[C@@H]3CNC[C@@H]3C2)C(=O)c2cn(C)cn2)c1 |r|
Cn1cnc(c1)C(=O)N(Cc1cccc(OC2CCCC2)c1)[C@@H]1C[C@@H]2CNC[C@@H]2C1 |r|
COc1ccc(CN([C@@H]2C[C@@H]3CNC[C@@H]3C2)C(=O)c2cn(C)cn2)cc1OC1CCCC1 |r|
CN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cn(C)cn1 |r|
CCN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1ccc(F)c(c1)C(F)(F)F)C(=O)c1cn(C)cn1 |r|
CN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1ccc(F)c(c1)C(F)(F)F)C(=O)c1cn(C)cn1 |r|
CN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1ccc(F)c(OC2CCCC2)c1)C(=O)c1cn(C)cn1 |r|
CCN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cn(C)cn1 |r|
CC(F)CN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cn(C)cn1 |r|
Cn1cnc(c1)C(=O)N(Cc1cccc(OC(F)(F)F)c1)[C@H]1C[C@H]2CN(CCC(F)(F)F)C[C@H]2C1 |r|
Cn1cnc(c1)C(=O)N(Cc1cccc(OC(F)(F)F)c1)[C@H]1C[C@H]2CN(CC(O)c3ccccc3)C[C@H]2C1 |r|
Cn1cnc(c1)C(=O)N(Cc1cccc(OC(F)(F)F)c1)[C@H]1C[C@H]2CN(CC(C)(C)O)C[C@H]2C1 |r|
Cn1cnc(c1)C(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)[C@H]1C[C@@H]2CNC[C@@H]2C1 |r|
CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
O=C(N[C@H](CNC[C@H](Cc1ccccc1)NC(=O)OCc1nccs1)Cc1ccccc1)OCc1cncs1 |r|
O=C(N[C@H](CNC[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1)Cc1ccccc1)OCc1cncs1 |r|
O=C(N[C@@H](CNC[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1)Cc1ccccc1)OCc1cncs1 |r|
O=C(NC(CN(CC(Cc1ccccc1)NC(=O)OCc1cncs1)CC(Cc1ccccc1)NC(=O)OCc1nccs1)Cc1ccccc1)OCc1cncs1
CC(C)(C)CN(CC(Cc1ccccc1)NC(=O)OCc1cncs1)CC(Cc1ccccc1)NC(=O)OCc1nccs1
CC(C)(C)CN(C[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1 |r|
CCN(C[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@H](Cc1ccccc1)NC(=O)OCc1nccs1 |r|
CCN(C[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1 |r|
CCN(C[C@@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1 |r|
CC(C)CN(C[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@H](Cc1ccccc1)NC(=O)OCc1nccs1 |r|
CC(C)CN(C[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1 |r|
CC(C)CN(C[C@@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1 |r|
O=C(N[C@H](CN(C[C@H](Cc1ccccc1)NC(=O)OCc1nccs1)CC1CC1)Cc1ccccc1)OCc1cncs1 |r|
CC(C)CCN(C[C@@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1 |r|
O=C(N[C@H](CN(C[C@H](Cc1ccccc1)NC(=O)OCc1nccs1)Cc1ccccc1)Cc1ccccc1)OCc1cncs1 |r|
O=C(N[C@H](CN(C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1)Cc1ccccc1)Cc1ccccc1)OCc1cncs1 |r|
O=C(N[C@@H](CN(C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1)Cc1ccccc1)Cc1ccccc1)OCc1cncs1 |r|
COc1cccc(CN(C[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C[C@@H](Cc2ccccc2)NC(=O)OCc2nccs2)c1 |r|
O=C(N[C@H](CN(C[C@H](Cc1ccccc1)NC(=O)OCc1nccs1)Cc1cccnc1)Cc1ccccc1)OCc1cncs1 |r|
O=C(N[C@H](CN(C[C@H](Cc1ccccc1)NC(=O)OCc1nccs1)Cc1ccncc1)Cc1ccccc1)OCc1cncs1 |r|
O=C(N[C@H](CN(C[C@H](Cc1ccccc1)NC(=O)OCc1nccs1)Cc1cnc[nH]1)Cc1ccccc1)OCc1cncs1 |r|
O=C(N[C@H](CN(C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1)Cc1cnc2ccccc2c1)Cc1ccccc1)OCc1cncs1 |r|
CCN(CCNC(=O)OCc1cncs1)CCNC(=O)OCc1nccs1
CCN(C[C@H](C)NC(=O)OCc1cncs1)C[C@H](C)NC(=O)OCc1nccs1 |r|
CCN(C[C@H](C)NC(=O)OCc1cncs1)C[C@@H](C)NC(=O)OCc1nccs1 |r|
CCN(C[C@@H](C)NC(=O)OCc1cncs1)C[C@@H](C)NC(=O)OCc1nccs1 |r|
CCN(C[C@H](CC(C)C)NC(=O)OCc1cncs1)C[C@H](CC(C)C)NC(=O)OCc1nccs1 |r|
CCN(CC(CC(=O)OC)NC(=O)OCc1cncs1)CC(CC(=O)OC)NC(=O)OCc1nccs1
CCN(CC(CC1CCCCC1)NC(=O)OCc1cncs1)CC(CC1CCCCC1)NC(=O)OCc1nccs1
CCN(CC(COCc1ccccc1)NC(=O)OCc1cncs1)CC(COCc1ccccc1)NC(=O)OCc1nccs1
CCN(CC(Cc1ccc(O)cc1)NC(=O)OCc1cncs1)CC(Cc1ccc(O)cc1)NC(=O)OCc1nccs1
CCN(CC(Cc1ccc(OCc2ccccc2)cc1)NC(=O)OCc1cncs1)CC(Cc1ccc(OCc2ccccc2)cc1)NC(=O)OCc1nccs1
CCN(C[C@H](Cc1ccccc1)NC(=O)OCc1cnco1)C[C@H](Cc1ccccc1)NC(=O)OCc1ncco1 |r|
CCN(C[C@H](Cc1ccccc1)NC(=O)OCc1cnc[nH]1)C[C@H](Cc1ccccc1)NC(=O)OCc1ncc[nH]1 |r|
CCN(C[C@H](Cc1ccccc1)NC(=O)OCc1cccs1)C[C@H](Cc1ccccc1)NC(=O)OCc1cccs1 |r|
CCN(C[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1)C[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1 |r|
CCN(C[C@H](Cc1ccccc1)NC(=O)OCc1cn[nH]c1)C[C@H](Cc1ccccc1)NC(=O)OCc1cn[nH]c1 |r|
CC1(CCCN(C1)C(=O)Nc1noc2ccccc12)c1ccccc1
OCCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1
CC1(CCCN(C1)C(=O)Nc1ccc(cc1)-c1ccccc1)c1ccccc1
CC1(CCCN(C1)C(=O)NCc1ccc(cc1)-c1ccc2[nH]ccc2c1)c1ccccc1
NC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1
Clc1ccc(NC(=O)N2CCCC(CCC(=O)NC3=NNNN3)(C2)c2ccccc2)cc1 |t:18|
CNC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1
Clc1ccc(NC(=O)N2CCCC(CCC(=O)N3CCOCC3)(C2)c2ccccc2)cc1
OC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1
OC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1C(F)(F)F
OC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccc(cc1)C(F)(F)F
OC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccncc1
CC1(CCCN(C1)C(=O)NCCc1ccc2nc[nH]c2c1)c1ccccc1
OC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1cccnc1
OC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccn1
OC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(cc1)-c1ccccc1
OC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1cccc(c1)C(F)(F)F
OC(=O)CC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1
OC(=O)CCCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1
OC(=O)CCCCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1
Clc1ccc(NC(=O)N2CCCC(CCC#N)(C2)c2ccccc2)cc1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2ccoc2cc2oc(=O)ccc12
CCCCCCCCCC1O[C@H](CC\C(C)=C\COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O1 |r|
CCCCCCCC1O[C@H](CC\C(C)=C\COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O1 |r|
CCCCc1ccc(cc1)S(=O)(=O)Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1
O=S(=O)(Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1)c1ccc(nc1)N1CCOCC1
Cc1c(n2cccc(c2n1)OCc3ccccc3)CC#N
C[C@H]1C[C@@H]1Cn1c(C)c(C)c2cnnc(OCc3ccc(F)cc3)c12 |r|
Cc1[nH]c2c(NCc3c(C)cccc3C)nccc2c1C
Cc1cc2c(NCc3c(C)cccc3C)nccc2n1C
Cc1nc2c(NCc3c(C)cccc3C)nccc2n1C
Cc1nc2c(NCc3c(C)cccc3C)cccc2n1C
Cc1[nH]c2c(NCc3c(C)cccc3C)ncnc2c1C
Cc1cc2c(NCc3c(C)cccc3C)nccn2c1C
Cc1nc2c(OCc3c(C)cccc3C)cccn2c1C
Cc1c(C)c2cc(nc(NCc3c(C)cccc3C)c2n1CCO)N1CCOCC1=O
Cc1[nH]c2c(NCc3c(C)cccc3C)nc(cc2c1C)N1CCNC1=O
Cc1[nH]c2c(NCc3c(C)cccc3C)nc(cc2c1C)-c1cccc(=O)[nH]1
Cc1[nH]c2c(NCc3c(C)cccc3C)nc(cc2c1C)N1CCOCC1=O
Cc1[nH]c2c(NCc3c(C)cccc3C)nc(cc2c1C)N1CCCC1=O
Cc1[nH]c2c(NCc3c(C)cccc3C)nc(cc2c1C)-c1ccccc1
Cc1[nH]c2c(NCc3c(C)cccc3C)nc(cc2c1C)-n1ccccc1=O
Cc1c(C)c2cc(nc(NCc3c(C)cccc3C)c2n1CC=C)-n1ccccc1=O
Cc1c(C)c2cc(nc(NCc3c(C)cccc3C)c2n1CCO)-n1ccccc1=O
CCn1c(C)c(C)c2cc(nc(NCc3c(C)cccc3C)c12)-n1ccccc1=O
Fc1ccc(F)c(OCCCc2ccc(cc2)C2=C(CNCC2)C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)c1Cl |t:18|
Fc1ccc(F)c(OCCCc2ccc(cc2)C2=C([C@H]3CC[C@H](C2)N3)C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)c1Cl |r,t:18,TLB:14:17:24:20.21,THB:25:18:24:20.21|
COc1cccc(CN(C2CC2)C(=O)C2=C(C[C@H]3COC[C@H]2N3)c2ccc(CCCOc3c(F)ccc(F)c3Cl)cc2)c1C |r,t:15|
Cc1ncccc1-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)n1C |r|
Cn1c(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccnnc1 |r|
Cc1ccc2c(cccc2n1)-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2)C(F)(F)F)n1C
C(Oc1ccc2cccnc2c1)c1ccccc1
Fc1cccc(F)c1-n1ncc2c(Nc3cc(ccc3Cl)C(=O)NC3CC3)nncc12 |(-6.01,-8.16,;-5.23,-9.48,;-5.98,-10.82,;-5.21,-12.15,;-3.66,-12.13,;-2.9,-10.79,;-1.37,-10.77,;-3.69,-9.47,;-2.93,-8.14,;-3.84,-6.9,;-2.95,-5.64,;-1.48,-6.1,;-.16,-5.33,;-.1,-3.79,;1.27,-3.07,;2.56,-3.9,;3.92,-3.18,;3.98,-1.64,;2.68,-.83,;1.32,-1.54,;.02,-.73,;5.22,-4.01,;5.16,-5.55,;6.59,-3.29,;7.89,-4.12,;8.6,-5.48,;9.43,-4.18,;1.18,-6.08,;1.19,-7.63,;-.14,-8.4,;-1.47,-7.64,)|
Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCNCC1 |r|
CN1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCN(CCF)CC1 |r|
Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CC[C@@H](N)C1 |r|
Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CC[C@H](N)C1 |r|
Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCC(CC1)NC(=O)OC(C)(C)C |r|
Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CC[C@@H](C1)NC(=O)OC(C)(C)C |r|
Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCC(CC1)N1C[C@@H]2C[C@H]1CO2 |r|
Cc1cc(cc2[nH]c(nc12)-c1c(NCCn2cc(Cl)cn2)cc[nH]c1=O)N1CCOCC1
Cc1cc(cc2[nH]c(nc12)-c1c(NCCc2ncn(C)c2Cl)cc[nH]c1=O)N1CCOCC1
COC(=O)N1CCN(CC1)C1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NCCn2cc(Cl)cn2)cc[nH]c1=O
COC(=O)N1CCN(CC1)C1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NCCc2ncn(C)c2Cl)cc[nH]c1=O
CC(C)(Cc1nc(no1)-c1ccc(O)cn1)C(=O)NC1=C(CCCC1)C(O)=O |t:21|
OC(=O)\C=C\c1ccc(NC(=O)C2(CCCC2)NC(=O)c2ccc3n(C4CCCCC4)c(nc3c2)-c2ccoc2)cc1
OC(=O)\C=C\c1ccc(NC(=O)C2(CCCC2)NC(=O)c2ccc3n(C4CCCCC4)c(nc3c2)-c2ccccn2)cc1
CC(C)(O)C(=O)c1oc2nc(-c3ccccc3Cl)c(cc2c1NC(=O)CO)-c1ccc(Cl)cc1
COCO[C@@H]([C@H](CNC(=O)c1ccccc1)c1ccc2OCOc2c1)[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C |r|
COCO[C@@H]([C@H](CNC(=O)OC(C)(C)C)c1ccc2OCOc2c1)[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C |r|
COCO[C@@H]([C@H](CNC(=O)c1ccccc1)c1ccc2OCOc2c1)[C@@H]1OC(C)(C)O[C@H]1CO |r|
COCO[C@@H]([C@H](CNC(=O)c1ccccc1)c1ccc2OCOc2c1)[C@@H]1OC(C)(C)O[C@H]1COS(=O)(=O)c1ccc(C)cc1 |r|
CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)-c1ccccc1
CCCC(=O)Nc1n[nH]c2cc(c(Br)cc12)-c1ccc(O)cc1
COCCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H](CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@@H](CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCCOC)c1 |r|
Cc1ccc(cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O)C(=O)NC1CC1 |(1.2,-4.58,;-.13,-3.81,;-1.47,-4.58,;-2.8,-3.81,;-2.8,-2.27,;-1.47,-1.5,;-.14,-2.27,;1.2,-1.5,;2.53,-2.26,;3.86,-1.49,;5.33,-1.97,;6.23,-.72,;5.3,.54,;6.07,1.87,;7.56,1.95,;8.35,.6,;8.33,3.29,;7.49,4.58,;5.95,4.58,;5.29,3.22,;3.7,3.4,;3.86,.05,;2.53,.82,;2.53,2.36,;1.19,.04,;-.14,.81,;-4.14,-1.5,;-4.14,.04,;-5.47,-2.28,;-6.81,-1.51,;-8.35,-1.51,;-7.58,-.17,)|
CCn1c2n(ncc2cc(-c2cc(ccc2C)C(=O)NC2CC2)c1=O)-c1ccc(F)cc1F
COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCC2CCN(CC2)C(=O)c2ccccc2)C1 |r|
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCN2CCN(CC2)C(=O)c2ccccc2)C1 |r|
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCN2CCN(CC2)C(=O)c2ccccc2Cl)C1 |r|
Fc1ccccc1C(=O)N1CCN(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1 |r|
Fc1ccc(F)c(c1)C(=O)N1CCN(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1 |r|
CC(C)N1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C3CCC2COC3)C2CCOCC2)cc1
CN(C)CCC1=C(Cc2cnccn2)c2ccc(C)cc2C1 |c:5|
COc1ccc2C(Cc3cnccn3)=C(CCN(C)C)Cc2c1 |t:14|
CN(C)CCC1=C(Cc2cnccn2)c2ccc(Cl)cc2C1 |c:5|
CN(C)CCC1=C(Cc2cnccn2)c2ccc(F)cc2C1 |c:5|
COc1nccnc1CC1=C(CCN(C)C)Cc2cc(Cl)ccc12 |c:10|
COc1nccnc1CC1=C(CCN(C)C)Cc2cc(F)ccc12 |c:10|
CN(C)CCC1=C(Cc2cccnn2)c2ccc(Cl)cc2C1 |c:5|
CN(C)CCC1=C(Cc2cccnn2)c2ccc(F)cc2C1 |c:5|
C[C@H](C1=C(CCN(C)C)Cc2cc(C)ccc12)c1cnccn1 |r,c:2|
COc1ccc2C([C@@H](C)c3cnccn3)=C(CCN(C)C)Cc2c1 |r,t:15|
COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(C)ccc12 |r,c:11|
COc1ccc2C([C@@H](C)c3nccnc3OC)=C(CCN(C)C)Cc2c1 |r,t:17|
COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(F)ccc12 |r,c:11|
C[C@H](C1=C(CCN(C)C)Cc2cc(F)ccc12)c1nccs1 |r,c:2|
C[C@H](C1=C(CCN(C)C)Cc2cc(C)ccc12)c1nccs1 |r,c:2|
COc1ccc2C([C@@H](C)c3nccs3)=C(CCN(C)C)Cc2c1 |r,t:14|
Fc1ccc(F)c2c1OCC1CC(=O)CCC21S(=O)(=O)c1ccc(Cl)cc1
OC1CCC2(C(COc3c(F)ccc(F)c23)C1)S(=O)(=O)c1ccc(Cl)cc1
Fc1ccc(F)c2c1OC[C@H]1C[C@@H](CC[C@@]21S(=O)(=O)c1ccc(Cl)cc1)NS(=O)(=O)C1CC1 |r|
Cc1cc([nH]n1)C(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 |r|
Cc1csc(Cn2c(nc3ccccc23)C2CCCN(C2)C2CCOCC2)n1
Cc1csc(Cn2c(nc3ccccc23)C2CCCN(C2)C2CCCCC2)n1
CCOCCn1c(nc2ccccc12)C1CCCN(C1)C1CCOCC1
CCOCCn1c(nc2ccccc12)C1CCCN(C1)C1CCCCC1
COc1ccc(Cn2c(nc3ccccc23)C2CCCN(C2)C2CCOCC2)cc1
COc1ccc(Cn2c(nc3ccccc23)C2CCCN(C2)C2CCCCC2)cc1
COc1ccc(Cn2c(nc3ccccc23)C2CCCN(C2)C(C)C)cc1
Fc1ccc(Cn2c(nc3ccccc23)C2CCCN(C2)C2CCCCC2)cc1
CC(C)N1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1
CN1CCCC(C1)c1nc2ccccc2n1CC1CCCO1
CN1CCCC(C1)c1nc2ccccc2n1Cc1nc(C)cs1
CN1CCCC(C1)c1nc2ccccc2n1Cc1ccccn1
CCOCCn1c(nc2ccccc12)C1CCCN(C)C1
CN1CCCC(C1)c1nc2ccccc2n1CCOc1ccccc1
COc1ccc(Cn2c(nc3ccccc23)C2CCCN(C)C2)cc1
CN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1
CCOCCn1c(nc2ccccc12)N1CC[C@@H](C1)N(C)C |r|
COc1ccc(Cn2c(nc3ccccc23)N2CC[C@H](C2)N(C)C)cc1 |r|
CCOC(=O)[C@H](C)NP(=O)(COc1cc(C)c(C)c2Cc3scnc3-c12)N[C@@H](C)C(=O)OCC |r|
Cc1cc(OC[P@@]2(=O)OCC[C@H](O2)c2cccc(Cl)c2)c-2c(Cc3scnc-23)c1C |r|
Cc1cc(OC[P@@]2(=O)OCC[C@H](O2)c2ccc(Cl)cc2)c-2c(Cc3scnc-23)c1C |r|
COc1cccc(c1)[C@@H]1CCO[P@](=O)(COc2cc(C)c(C)c3Cc4scnc4-c23)O1 |r|
Cc1cc(OC[P@@]2(=O)OCC[C@H](O2)c2ccccn2)c-2c(Cc3scnc-23)c1C |r|
Cc1cc(OC[P@@]2(=O)OCC[C@H](O2)c2cccnc2)c-2c(Cc3scnc-23)c1C |r|
Cc1cc(OC[P@@]2(=O)OCC[C@H](O2)c2ccncc2)c-2c(Cc3scnc-23)c1C |r|
Cc1cc(OC[P@]2(=O)OCC[C@@H](O2)c2cccnc2C)c-2c(Cc3scnc-23)c1C |r|
Cc1ccc(cn1)[C@@H]1CCO[P@](=O)(COc2cc(C)c(C)c3Cc4scnc4-c23)O1 |r|
Cc1cc(OC[P@@]2(=O)OCC[C@H](O2)c2cccnc2C)c-2c(Cc3scnc-23)c1C |r|
OC(=O)CCCOc1cccc(CCCCCCOc2cc(cc(n2)-c2ccccc2)-c2ccccc2)c1CCC(O)=O
OC(=O)CCCOc1cccc(CCCCCCOc2cc(cc(c2)-c2ccccc2F)-c2ccc3OCOc3c2)c1CCC(O)=O
OC(=O)CCCOc1cccc(CCCCCCOc2cc(cc(c2)-c2cccc(F)c2)-c2ccc3OCOc3c2)c1CCC(O)=O
OC(=O)CCCOc1cccc(CCCCCCOc2cc(cc(c2)-c2ccc3OCOc3c2)-c2ccsc2)c1CCC(O)=O
OC(=O)CCCOc1cccc(CCCCCCOc2cc(cc(c2)-c2ccncc2)-c2ccncc2)c1CCC(O)=O
OC(=O)CCCOc1cccc(CCCCCCOc2cc(cc(c2)-c2ccccc2)-c2ccccc2)c1CCC(O)=O
CC(C)(C)c1ccc(SCCc2cnc[nH]2)cc1
CNC(=O)CN1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCN(CC(=O)NCCF)CC1 |r|
Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCN(CCCF)CC1 |r|
Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCN(CC#N)CC1 |r|
Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCN(CCC#N)CC1 |r|
COCCN1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
CCN1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
CC(=O)N1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
COCC(=O)N1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCN(CC1)C(=O)CCCF |r|
Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCN(CC1)C(=O)OC(C)(C)C |r|
COC(=O)N1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
CCOC(=O)N1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCN(CC1)S(C)(=O)=O |r|
Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCN(CCO)CC1 |r|
Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCN(CCCO)CC1 |r|
CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1ccc(cn1)C(O)=O)c1cc(Cl)cc(Cl)c1 |r|
CC(C)[C@]1(C)SC(N[C@H]2C[C@@H]3CC[C@H]2C3)=NC1=O |r,c:16|
COc1ncc(Cc2cn(CC(=O)N(CC(=O)N(C)C)Cc3ccc(cc3)-c3ccc(Cl)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1
COc1cnc(nc1)-c1ccc(Cn2c(CC(C)(C)C([O-])=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2)S(F)(F)(F)(F)F)n1C
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(c2)C(F)(F)F)n1C
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2cccc(c2)S(F)(F)(F)(F)F)n1C
Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)n1C |r|
CCc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)Nc1ccccc1Br
COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)Nc1cc(Cl)cc(Cl)c1OC
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(c1)N1CCNCC1)c1ccccc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(c1)N1CCN(C)CC1)c1ccccc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(c1)N1CCN(C)CC1)c1ccccc1C(F)(F)F |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(c1)N1CCOCC1)c1ccccc1C(F)(F)F |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(NCCN(C)C)c1)c1ccccc1C(F)(F)F |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(NC2CCN(C)CC2)c1)c1ccccc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccc(NC2CCN(C)CC2)nc1)c1ccccc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(NC2CCN(C)CC2)n1)c1ccccc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1cnn(CCN2CCN(C)CC2)c1)c1ccccc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1cnn(CCCN(C)C)c1)c1ccccc1Cl |r|
CCN1CCN(CCCn2cc(cn2)-c2ccc3n(cnc3c2)-c2cc(O[C@H](C)c3ccccc3Cl)c(s2)C(N)=O)CC1 |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(NCCS(C)(=O)=O)c1)c1ccccc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(NCCO)c1)c1ccccc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1cnn(CCN2CCOCC2)c1)c1ccccc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1cnn(C)c1)c1ccccc1Cl |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(N)c1)c1ccccc1C(F)(F)F |r|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2cc(ccc12)-c1ccnc(N)n1)c1ccccc1C(F)(F)F |r|
Cc1nc2cc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccccc1 |(32.22,5.03,;30.89,4.26,;29.56,5.02,;28.22,4.25,;26.75,4.72,;25.85,3.46,;26.77,2.22,;28.23,2.71,;29.56,1.95,;30.9,2.72,;32.23,1.95,;33.56,2.72,;29.57,.41,;28.25,-.36,;28.24,-1.9,;29.58,-2.67,;29.58,-4.21,;30.91,-1.9,;30.91,-.35,;32.24,.42,;24.31,3.45,;23.54,4.78,;22,4.77,;21.24,3.43,;22.02,2.1,;23.56,2.12,)|
Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccccc1 |(19.44,4.47,;18.11,3.7,;16.77,4.47,;15.43,3.69,;13.96,4.16,;13.06,2.9,;13.98,1.66,;15.45,2.15,;16.78,1.39,;18.11,2.16,;19.45,1.39,;20.78,2.17,;16.79,-.15,;15.46,-.92,;15.46,-2.46,;16.79,-3.23,;16.79,-4.77,;18.13,-2.46,;18.12,-.91,;19.45,-.14,;11.53,2.89,;10.75,4.22,;9.21,4.21,;8.45,2.88,;9.23,1.54,;10.77,1.56,)|
CCCCCCCc1nc(no1)-c1ccc(CNC(=O)[C@H]2NCC[C@@H]2O)cc1 |r|
C[C@H](NC(=O)[C@H]1NCC[C@@H]1O)c1ccc(cc1)-c1noc(CCC2CCCC2)n1 |r|
C[C@H](NC(=O)[C@H]1NCC[C@@H]1O)c1ccc(cc1)-c1noc(CCC2CCCCC2)n1 |r|
CC[C@H](NC(=O)[C@H]1NCC[C@@H]1O)c1ccc(cc1)-c1noc(CCC2CCCCC2)n1 |r|
CC(C)CC1n2cncc2CN(Cc2ccc(Cl)cc2)S1(=O)=O
CC(C)CC1n2cncc2CN(Cc2ccccc2)S1(=O)=O
CC(C)CC1n2cncc2CN(Cc2ccc(OC(F)(F)F)cc2)S1(=O)=O
CC(C)CC1n2cncc2CN(Cc2ccc(cc2)C(F)(F)F)S1(=O)=O
CC(C)CC1n2cncc2CN(Cc2cccs2)S1(=O)=O
COC(C)(C)CC1n2cncc2CN([C@@H](C)c2ccc(Cl)cc2)S1(=O)=O |r|
CC(C)OCC1n2cncc2CN([C@@H](C)c2ccc(Cl)cc2)S1(=O)=O |r|
C[C@H](N1Cc2cncn2C(CC2CC2)S1(=O)=O)c1ccc(Cl)cc1 |r|
C[C@H](N1Cc2cncn2C(C[C@@H](O)c2ccccc2)S1(=O)=O)c1ccc(Cl)cc1 |r|
C[C@H](N1Cc2cncn2C(C[C@H](O)c2ccccc2)S1(=O)=O)c1ccc(Cl)cc1 |r|
O=C(C1CCOC1)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1 |r|
CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)(C)O)N(C)C(=O)[C@H](SCCN(C)C)N(C)C1=O)C(C)C |r|
OC(c1ccncc1)c1ccc(cc1)-c1ccc(O)cc1
Nc1ccc(cc1)-c1ccc(Cc2ccncc2)cc1
Nc1cccc(c1)-c1ccc(Cc2ccncc2)cc1
Oc1cccc(c1)-c1ccc(Cc2ccncc2)cc1
Oc1ccc(cc1O)-c1ccc(Cc2ccncc2)cc1
Oc1ccc(cc1F)-c1ccc(Cc2ccncc2)cc1
Fc1cccc(c1)-c1ccc(Cc2ccncc2)cc1
Oc1ccc2cc(ccc2c1)-c1ccc(Cc2ccncc2)cc1
CNC(=O)c1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
CS(=O)(=O)c1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
CN1CCN(Cc2ccc(cc2)C(N2CCCN(CC2)C2CCC2)c2nnnn2Cc2ccccc2)CC1
C(c1ccccc1)n1nnnc1C(N1CCCN(CC1)C1CCC1)c1ccc(cc1)-n1cncn1
C(c1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1)n1cncn1
C(c1ccccc1)n1nnnc1C(N1CCCN(CC1)C1CCC1)c1ccc2occc2c1
COCCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@@H](CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r|
Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
FC(F)(F)C1(CCC1)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
C[C@@H]([C@@H](Cc1ccc(cc1)Cl)c2cccc(c2)C#N)NC(=O)C(C)(C)Oc3ccc(cn3)C(F)(F)F
CC(C)(C)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl
CC(C)(C)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl
COc1ccc(Cn2c3ccccc3n(C3CCN(CC3)C(=O)C3CCN(Cc4ccncc4)CC3)c2=O)cc1
COc1cccc(Cn2c3ccccc3n(C3CCN(CC3)C(=O)C3CCN(Cc4ccncc4)CC3)c2=O)c1
Clc1ccc(Cn2c3ccccc3n(C3CCN(CC3)C(=O)C3CCN(Cc4ccncc4)CC3)c2=O)cc1
Clc1cccc(Cn2c3ccccc3n(C3CCN(CC3)C(=O)C3CCN(Cc4ccncc4)CC3)c2=O)c1
Clc1ccccc1Cn1c2ccccc2n(C2CCN(CC2)C(=O)C2CCN(Cc3ccncc3)CC2)c1=O
O=C(C1CCN(Cc2ccncc2)CC1)N1CCC(CC1)n1c2ccccc2n(Cc2ccccc2)c1=O
CN(C)CCCn1c2ccccc2n(C2CCN(CC2)C(=O)C2CCN(Cc3ccncc3)CC2)c1=O
O=C(C1CCN(Cc2ccncc2)CC1)N1CCC(CC1)n1c2ccccc2n(CCN2CCOCC2)c1=O
O=C(C1CCN(Cc2ccncc2)CC1)N1CCC(CC1)n1c2ccccc2n(CCN2CCCCC2)c1=O
CN(C)CCn1c2ccccc2n(C2CCN(CC2)C(=O)C2CCN(Cc3ccncc3)CC2)c1=O
CCOCCCn1c2ccccc2n(C2CCN(CC2)C(=O)C2CCN(Cc3ccncc3)CC2)c1=O
O=C(C1CCN(Cc2ccncc2)CC1)N1CCC(CC1)n1c2ccccc2n(CCOc2ccccc2)c1=O
CC(C)OCCn1c2ccccc2n(C2CCN(CC2)C(=O)C2CCN(Cc3ccncc3)CC2)c1=O
CCOCCn1c2ccccc2n(C2CCN(CC2)C(=O)C2CCN(Cc3ccncc3)CC2)c1=O
COCCn1c2ccccc2n(C2CCN(CC2)C(=O)C2CCN(Cc3ccncc3)CC2)c1=O
OCCn1c2ccccc2n(C2CCN(CC2)C(=O)C2CCN(Cc3ccncc3)CC2)c1=O
CC(C)Cn1c2ccccc2n(C2CCN(CC2)C(=O)C2CCN(Cc3ccncc3)CC2)c1=O
Cn1c2ccccc2n(C2CCN(CC2)C(=O)C2CCN(Cc3ccncc3)CC2)c1=O
O=C(C1CCN(Cc2ccncc2)CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Cc1cc(nn1-c1cccc(c1)-c1ccc(cc1C(F)(F)F)C(F)(F)F)C(N)=O
Cc1cc(nn1-c1cccc(c1)-c1cc(ccc1C(F)(F)F)C(F)(F)F)C(N)=O
NC(=O)c1nc(c[nH]1)-c1cccc(c1)-c1ccccc1C(F)(F)F
NC(=O)c1csc(n1)-c1cccc(c1)-c1ccccc1OC(F)(F)F
NC(=O)c1nc(cs1)-c1cccc(c1)-c1ccccc1OC(F)(F)F
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(N)=O)CC1
CNC(=O)c1ncn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C#N)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2cncn-32)CC1
Cc1nnc2COc3c(CCN4CCN(CC4)c4cccc5nc(C)ccc45)cccc3-n12
Cc1nnn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21
CC(=O)c1ncn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21
CN(C)C(=O)c1ncn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21
CC(C)NC(=O)c1ncn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)NC2CC2)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)NCC2CC2)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)N2CCCC2)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)N2CCCCC2)CC1
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)N2CCOCC2)CC1
FC(F)(F)c1ccc(SC[C@H](C2CCNCC2)c2cnc[nH]2)cc1 |r|
CC(C)(C)c1ccc(SCC(C2CCNCC2)c2cnc[nH]2)cc1
CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2ccccn2)cc1
FC(F)(F)c1ccc(SCC(c2cnc[nH]2)c2ccncc2)cc1
CCCNC(=O)c1cn2c(c1C)c(ncn2)Nc3cc(ccc3C)C(=O)NC4CC4
C[C@@H](O[C@H]1CN2[C@@H]([C@@H]3C[C@](C)(O)C[C@@H]3C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1C2CCC1COC2
CC(C)N1CCC(CC1)Oc1ccc2n(C(C)C)c(cc2c1)C(=O)N1CCC(F)(F)CC1
CC(C)N1CCC(CC1)Oc1ccc2n3CCNC(=O)c3cc2c1
CC(C)N1CCC(CC1)Oc1ccc2n3CCCNC(=O)c3cc2c1
CC(C)N1CCC(CC1)Oc1ccc2n3CCN(C)C(=O)c3cc2c1
CC(C)N1CCC(CC1)Oc1ccc2n3CCN(CC4CC4)C(=O)c3cc2c1
CC(C)N1CCC(CC1)Oc1ccc2n3CCN(Cc4ccc(F)cc4)C(=O)c3cc2c1
CC(C)N1CCC(CC1)Oc1ccc2n3CCN(CCO)C(=O)c3cc2c1
CC(C)N1CCC(CC1)Oc1ccc2n3C[C@@H](C)NC(=O)c3cc2c1 |r|
CC(C)N1CCC(CC1)Oc1ccc2n3C[C@H](C)NC(=O)c3cc2c1 |r|
CC(C)N1CCC(CC1)Oc1ccc2n3[C@H](C)CNC(=O)c3cc2c1 |r|
CC(C)N1CCC(CC1)Oc1ccc2n3C[C@@H](C)N(CC4CC4)C(=O)c3cc2c1 |r|
CC(C)N1CCC(CC1)Oc1cc2cc3C(=O)NC[C@H](C)n3c2cc1Br |r|
CC(C)N1CCC(CC1)Oc1cc2cc3C(=O)N(CC4CC4)C[C@H](C)n3c2cc1Br |r|
C[C@@H]1CCCN1CCCOc1ccc2n3CCNC(=O)c3cc2c1 |r|
CC(C)N1CCC(CC1)Oc1ccc2n3CCN(Cc4ccncc4)C(=O)c3cc2c1
CC(C)N1CCC(CC1)Oc1ccc2n3[C@@H](C)CNC(=O)c3cc2c1 |r|
c1ccc(cc1)C2=CC(=O)c3c(cc(cc3O2)O)O
Cn1c(SCCCN2CCC3CC3(CC2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccnnc1
Cc1ncoc1-c1nnc(SCCCN[C@@H]2CC[C@@]3(CC23)c2ccc(cc2)C(F)(F)F)n1C |r|
CCOc1ccc2c(Oc3cc(OCC)ccc3C22OC(=O)c3ccccc23)c1
Cc1ncoc1-c1nnc(SCCCN2[C@H]3CC[C@@H]2C[C@@H](C3)c2ccc(cc2)C(C)(C)C)n1C |r,TLB:13:14:16.17:21.20.19,THB:22:20:16.17:14|
Cc1ncoc1-c1nnc(SCCCN2[C@H]3CC[C@@H]2C[C@@H](C3)c2ccc(cc2)C(F)(F)F)n1C |r,TLB:13:14:16.17:21.20.19,THB:22:20:16.17:14|
COCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(Cl)cn1 |r|
Cc1cc(Cl)c(OCCOc2ccc(cc2)C2=C(CNCC2)C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)c(Cl)c1 |t:17|
CC(C)(NCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F)C(N)=O
CS(=O)(=O)c1cccc(c1)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl
Clc1ccc2OCOc2c1Nc1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1
CN(c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1)c1cccc2[nH]ncc12
CC(C)(C)OC(=O)N[C@@H]1CCN(C1)C(=O)OC1C2CC3CC(C2)CC1C3 |r,wU:8.7,TLB:22:21:25:18.17.16,22:17:20.21.23:25,THB:16:17:20:23.24.25,16:24:20:18.22.17,15:16:20.21.23:25,(33.72,4.21,;32.18,4.23,;31.44,5.58,;32.95,5.58,;31.39,2.91,;29.85,2.94,;29.11,4.28,;29.06,1.62,;27.52,1.64,;26.64,2.9,;25.17,2.45,;25.14,.9,;26.6,.41,;23.8,.15,;23.78,-1.39,;22.47,.93,;21.13,.17,;21.12,-1.36,;19.72,-1.7,;18.4,-1.21,;17.2,-2.49,;18.7,-2.07,;20.11,-2.63,;18.7,-.49,;19.73,.75,;18.39,.27,)|
CC(C)(C)OC(=O)N[C@@H]1CCN(C1)C(=O)O[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O |r,wU:8.7,16.16,wD:23.29,TLB:16:17:24:20.21.22,15:16:24.19.20:22,THB:18:19:22:25.17.16,18:17:24.19.20:22,16:21:24:25.18.17,(42.66,-42.33,;41.12,-42.3,;40.37,-40.95,;41.88,-40.96,;40.33,-43.62,;38.79,-43.6,;38.04,-42.25,;38,-44.92,;36.46,-44.89,;35.57,-43.63,;34.1,-44.08,;34.08,-45.63,;35.53,-46.12,;32.73,-46.39,;32.72,-47.93,;31.41,-45.61,;30.07,-46.36,;30.06,-47.89,;29.04,-49.17,;27.64,-48.6,;27.63,-47.02,;28.67,-45.78,;27.32,-46.26,;27.33,-47.75,;26.14,-49.02,;28.66,-48.24,;25.99,-46.97,;24.65,-47.74,;26,-45.43,)|
NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)Nc1ncccc1C(F)(F)F)C(C3)C2 |r,wU:16.19,9.10,wD:3.2,TLB:6:5:31:8.7.9,6:7:4.5.30:31,THB:9:7:4:30.29.31,9:29:4:8.6.7,10:9:4.5.30:31,(7.67,-22.53,;9.01,-21.75,;9.02,-20.21,;10.35,-22.53,;9.16,-23.81,;10.66,-23.39,;12.06,-23.95,;13.08,-22.68,;11.68,-23.02,;13.09,-21.15,;14.43,-20.39,;15.75,-21.17,;15.74,-22.71,;17.1,-20.41,;17.12,-18.87,;18.6,-18.42,;19.48,-19.68,;18.55,-20.91,;21.02,-19.7,;21.81,-18.38,;21.06,-17.05,;21.85,-15.73,;23.39,-15.75,;24.14,-17.09,;23.35,-18.41,;24.1,-19.76,;23.3,-21.08,;25.64,-19.79,;24.86,-21.09,;11.69,-20.57,;10.65,-21.8,;10.35,-21.05,)|
NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)Nc1ccc(cn1)C(F)(F)F)C(C3)C2 |r,wU:16.19,9.10,wD:3.2,TLB:6:5:31:8.7.9,6:7:4.5.30:31,THB:9:7:4:30.29.31,9:29:4:8.6.7,10:9:4.5.30:31,(-10.14,-33.31,;-8.79,-32.53,;-8.79,-30.99,;-7.45,-33.31,;-8.65,-34.59,;-7.15,-34.17,;-5.74,-34.73,;-4.73,-33.46,;-6.12,-33.8,;-4.72,-31.93,;-3.37,-31.17,;-2.05,-31.95,;-2.06,-33.49,;-.71,-31.19,;-.68,-29.65,;.79,-29.2,;1.68,-30.46,;.75,-31.69,;3.22,-30.48,;4.01,-29.16,;5.55,-29.19,;6.34,-27.87,;5.59,-26.53,;4.04,-26.51,;3.26,-27.83,;6.38,-25.2,;7.92,-25.23,;5.63,-23.86,;7.14,-23.86,;-6.11,-31.35,;-7.15,-32.58,;-7.46,-31.83,)|
NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)Nc1cccc(n1)C(F)(F)F)C(C3)C2 |r,wU:16.19,9.10,wD:3.2,TLB:6:5:31:8.7.9,6:7:4.5.30:31,THB:9:7:4:30.29.31,9:29:4:8.6.7,10:9:4.5.30:31,(4.49,-33.95,;5.83,-33.18,;5.84,-31.64,;7.17,-33.96,;5.98,-35.23,;7.48,-34.81,;8.88,-35.38,;9.9,-34.1,;8.5,-34.45,;9.91,-32.57,;11.25,-31.82,;12.57,-32.6,;12.56,-34.14,;13.92,-31.84,;13.94,-30.29,;15.41,-29.84,;16.3,-31.1,;15.37,-32.33,;17.84,-31.13,;18.63,-29.81,;20.17,-29.84,;20.96,-28.52,;20.21,-27.17,;18.66,-27.15,;17.88,-28.47,;17.91,-25.81,;18.7,-24.48,;16.37,-25.79,;17.13,-24.47,;8.51,-31.99,;7.47,-33.23,;7.16,-32.47,)|
NC(=O)[C@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@@H](C1)Nc1ncccc1C(F)(F)F)C(C3)C2 |r,wD:16.19,3.2,9.10,TLB:30:29:4.5.6:8,THB:30:5:8:31.29.9,9:29:4:6.7.8,9:7:4:31.30.29,10:9:4.5.6:8,(23.92,-31.27,;25.27,-30.5,;25.27,-28.96,;26.61,-31.27,;25.41,-32.55,;26.91,-32.13,;26.91,-30.55,;27.95,-29.31,;26.6,-29.79,;29.34,-29.89,;30.68,-29.13,;32.01,-29.91,;32,-31.45,;33.35,-29.16,;33.38,-27.61,;34.85,-27.16,;35.74,-28.42,;34.81,-29.65,;37.28,-28.44,;38.07,-27.12,;37.32,-25.79,;38.1,-24.47,;39.65,-24.49,;40.4,-25.84,;39.61,-27.16,;40.35,-28.5,;39.56,-29.82,;41.89,-28.53,;41.11,-29.83,;29.33,-31.42,;28.32,-32.7,;27.94,-31.76,)|
NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@@H](C1)Nc1ccc(cn1)C(F)(F)F)C(C3)C2 |r,wU:9.10,wD:16.19,3.2,TLB:6:5:31:8.7.9,6:7:4.5.30:31,THB:9:7:4:30.29.31,9:29:4:8.6.7,10:9:4.5.30:31,(-11.32,-46.08,;-9.96,-45.31,;-9.95,-43.77,;-8.62,-46.08,;-9.81,-47.36,;-8.31,-46.94,;-6.91,-47.5,;-5.89,-46.23,;-7.29,-46.57,;-5.88,-44.7,;-4.54,-43.94,;-3.22,-44.72,;-3.23,-46.26,;-1.87,-43.97,;-1.85,-42.42,;-.37,-41.97,;.51,-43.23,;-.42,-44.46,;2.05,-43.25,;2.84,-41.93,;4.38,-41.96,;5.17,-40.64,;4.42,-39.3,;2.88,-39.28,;2.09,-40.6,;5.21,-37.98,;6.75,-38,;4.46,-36.63,;5.97,-36.63,;-7.28,-44.12,;-8.32,-45.36,;-8.62,-44.6,)|
NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)Nc1ncccc1C#N)C(C3)C2 |r,wU:16.19,9.10,wD:3.2,TLB:6:5:29:8.7.9,6:7:4.5.28:29,THB:9:7:4:28.27.29,9:27:4:8.6.7,10:9:4.5.28:29,(3.85,-46.65,;5.2,-45.88,;5.2,-44.34,;6.53,-46.66,;5.34,-47.93,;6.84,-47.51,;8.24,-48.08,;9.26,-46.8,;7.86,-47.15,;9.27,-45.27,;10.61,-44.52,;11.94,-45.3,;11.92,-46.84,;13.28,-44.54,;13.3,-43,;14.78,-42.54,;15.66,-43.8,;14.74,-45.03,;17.2,-43.83,;17.99,-42.51,;17.24,-41.17,;18.03,-39.85,;19.58,-39.87,;20.32,-41.22,;19.53,-42.54,;20.28,-43.88,;21.03,-45.23,;7.87,-44.69,;6.83,-45.93,;6.53,-45.17,)|
NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)Nc1ccc(cn1)C#N)C(C3)C2 |r,wU:16.19,9.10,wD:3.2,TLB:6:5:29:8.7.9,6:7:4.5.28:29,THB:9:7:4:28.27.29,9:27:4:8.6.7,10:9:4.5.28:29,(23.78,-45.32,;25.12,-44.54,;25.13,-43,;26.46,-45.32,;25.26,-46.6,;26.77,-46.18,;28.17,-46.74,;29.18,-45.46,;27.79,-45.81,;29.2,-43.94,;30.54,-43.18,;31.86,-43.96,;31.85,-45.5,;33.2,-43.2,;33.23,-41.66,;34.7,-41.21,;35.59,-42.47,;34.66,-43.7,;37.13,-42.49,;37.92,-41.17,;39.46,-41.2,;40.25,-39.88,;39.5,-38.54,;37.95,-38.51,;37.17,-39.84,;40.29,-37.21,;41.08,-35.89,;27.8,-43.36,;26.76,-44.59,;26.45,-43.84,)|
NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@@H](C1)Nc1ncccc1C#N)C(C3)C2 |r,wU:9.10,wD:16.19,3.2,TLB:6:5:29:8.7.9,6:7:4.5.28:29,THB:9:7:4:28.27.29,9:27:4:8.6.7,10:9:4.5.28:29,(2.39,-49.17,;3.73,-48.39,;3.74,-46.85,;5.07,-49.17,;3.88,-50.45,;5.38,-50.03,;6.78,-50.59,;7.8,-49.31,;6.4,-49.66,;7.81,-47.79,;9.15,-47.03,;10.47,-47.81,;10.46,-49.35,;11.82,-47.05,;11.84,-45.51,;13.31,-45.06,;14.2,-46.32,;13.27,-47.55,;15.74,-46.34,;16.53,-45.02,;15.78,-43.69,;16.56,-42.36,;18.11,-42.39,;18.86,-43.73,;18.07,-45.05,;18.82,-46.4,;19.56,-47.74,;6.41,-47.21,;5.37,-48.44,;5.06,-47.69,)|
NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@@H](C1)Nc1ccc(cn1)C#N)C(C3)C2 |r,wU:9.10,wD:16.19,3.2,TLB:6:5:29:8.7.9,6:7:4.5.28:29,THB:9:7:4:28.27.29,9:27:4:8.6.7,10:9:4.5.28:29,(23.94,-49.07,;25.29,-48.29,;25.29,-46.75,;26.62,-49.07,;25.43,-50.35,;26.93,-49.93,;28.33,-50.49,;29.35,-49.21,;27.95,-49.56,;29.36,-47.69,;30.7,-46.93,;32.03,-47.71,;32.01,-49.25,;33.37,-46.95,;33.39,-45.41,;34.87,-44.95,;35.75,-46.21,;34.83,-47.45,;37.29,-46.24,;38.08,-44.92,;39.62,-44.95,;40.41,-43.63,;39.67,-42.28,;38.12,-42.26,;37.33,-43.58,;40.45,-40.96,;41.24,-39.64,;27.96,-47.11,;26.92,-48.34,;26.62,-47.58,)|
OC1C2CC3CC(C2)CC1C3 |TLB:7:6:10:3.2.1,7:2:5.6.8:10,THB:1:2:5:8.9.10,1:9:5:3.7.2,0:1:5.6.8:10,(32.02,1.86,;30.67,1.1,;30.65,-.44,;29.25,-.79,;27.91,-.3,;26.7,-1.58,;28.22,-1.16,;29.63,-1.73,;28.21,.44,;29.26,1.68,;27.9,1.2,)|
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CC1CC1 |r,c:3|
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(c1)C#CC1CC1 |r,c:3|
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)c(C)c1)c1ccc(F)c(c1)C#CC1CC1 |r,c:3|
CN1C(N)=N[C@@](C1=O)(c1cccc(c1)C#CC1CC1)c1ccc(OC(F)F)c(C)c1 |r,c:3|
CCCC#Cc1cc(ccc1F)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)c(C)c1 |r,t:14|
CN1C(=O)[C@@](N=C1N)(c2ccc(cc2)OC(F)F)c3ccc(c(c3)C#CCCCF)F
CC#Cc1cc(ccc1F)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:12|
CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2ccccn2)C1 |r,w:21.23|
CN1[C@@H]2CCC[C@@H]1CC(C2)NC(=O)c1cccc2oc(nc12)N1CCOCC1 |r,TLB:0:1:3.4.5:7.8.9|
O=C(N[C@@H]1CN2CCC1CC2)c1cccc2oc(nc12)N1CCOCC1 |r,wD:3.2,TLB:2:3:7.6:9.10,(2.46,-6.94,;3.79,-7.71,;5.13,-6.93,;5.12,-5.39,;4.93,-4.01,;6.4,-3.37,;7.75,-3.97,;8.02,-5.37,;6.66,-4.73,;6.91,-2.84,;6.47,-1.73,;3.8,-9.25,;2.47,-10.02,;2.47,-11.56,;3.8,-12.33,;5.14,-11.56,;6.61,-12.04,;7.52,-10.78,;6.61,-9.53,;5.13,-10.01,;9.06,-10.78,;9.83,-12.12,;11.36,-12.12,;12.14,-10.78,;11.36,-9.44,;9.82,-9.45,)|
COc1ccccc1-c1nc2c(cccc2o1)C(=O)N[C@@H]1CN2CCC1CC2 |r,wD:20.22,TLB:19:20:24.23:26.27,(3.15,-.28,;2.38,-1.62,;3.16,-2.95,;4.69,-2.94,;5.47,-4.28,;4.7,-5.62,;3.16,-5.62,;2.39,-4.28,;.85,-4.28,;-.06,-3.03,;-1.53,-3.51,;-2.87,-2.74,;-4.19,-3.52,;-4.2,-5.06,;-2.86,-5.83,;-1.53,-5.06,;-.06,-5.54,;-2.87,-1.2,;-4.21,-.44,;-1.54,-.43,;-1.54,1.11,;-1.74,2.49,;-.27,3.14,;1.08,2.53,;1.36,1.13,;-.01,1.77,;.25,3.66,;-.2,4.77,)|
COc1ccccc1-c1nc2c(cccc2o1)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C |r,TLB:29:28:23.24.25:27.20.21|
O=C(N[C@@H]1CN2CCC1CC2)c1cccc2oc(nc12)C1CC1 |r,wD:3.2,TLB:2:3:7.6:9.10,(3.1,1.5,;4.44,.73,;5.77,1.51,;5.77,3.05,;5.57,4.43,;7.04,5.08,;8.39,4.47,;8.67,3.07,;7.3,3.71,;7.56,5.61,;7.11,6.71,;4.44,-.81,;3.11,-1.58,;3.11,-3.13,;4.45,-3.9,;5.78,-3.12,;7.25,-3.6,;8.17,-2.35,;7.25,-1.09,;5.78,-1.57,;9.7,-2.34,;11.04,-3.11,;11.03,-1.57,)|
CN1[C@@H]2CCC[C@@H]1CC(C2)NC(=O)c1cccc2oc(nc12)C1CC1 |r,TLB:0:1:3.4.5:7.8.9|
Cc1nccn1CC2CCc3c(c4ccccc4n3C)C2=O
Cc1c([nH]cn1)CN2CCc3c(c4ccccc4n3C)C2=O
COc1cccc(NC(=O)Nc2cccn(Cc3c(F)cccc3Cl)c2=O)c1
CSc1nc(C)cc(n1)C(=O)NCCN1CCN(CC1)c1cccc(C)c1C
Cc1occc1-c1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1Cc1ccco1
CC(C)[C@@H]1COC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CC2CCC(C1)N2 |r,TLB:23:25:32:28.29|
CC(C)[C@@H]1COC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CC[C@@H](O)C1 |r|
CC(C)[C@@H]1COC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCC(CO)CC1 |r|
CC(C)[C@@H]1COC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CC[C@H](O)C1 |r|
CC(C)[C@@H]1COC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CC2CNCC2C1 |r|
CC(C)[C@@H]1COC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCNCC1 |r|
CC(C)(C)[C@@H]1COC[C@H](COC(=O)N2CCN(CC2)C(C)(C)CO)N1S(=O)(=O)c1ccc(Cl)cc1 |r|
CC(C)(C)[C@@H]1COC[C@H](COC(=O)N2CCC(CO)CC2)N1S(=O)(=O)c1ccc(Cl)cc1 |r|
CC1(CC1)[C@@H]1COC[C@H](COC(=O)N2CCC(CO)CC2)N1S(=O)(=O)c1ccc(Cl)cc1 |r|
CC1(CC1)[C@@H]1COC[C@H](COC(=O)N2CCC(CC2)N2CCCCC2)N1S(=O)(=O)c1ccc(Cl)cc1 |r|
CC(C)(CO)N1CCN(CC1)C(=O)OC[C@H]1COC[C@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(C)CC1 |r|
Clc1ccc(cc1)S(=O)(=O)N1[C@H](CC2CC2)COC[C@@H]1C1(CC1)OC(=O)N1CC2CCC(C1)N2 |r,TLB:24:26:33:29.30|
OCCN1C2CCC1CN(C2)C(=O)OC1(CC1)[C@H]1COC[C@@H](CC2CC2)N1S(=O)(=O)c1ccc(Cl)cc1 |r,THB:11:9:3:5.6|
CC(=O)N1C2CCC1CN(C2)C(=O)OC1(CC1)[C@H]1COC[C@@H](CC2CC2)N1S(=O)(=O)c1ccc(Cl)cc1 |r,THB:11:9:3:5.6|
CCNC(=O)N1C2CCC1CN(C2)C(=O)OC1(CC1)[C@H]1COC[C@@H](CC2CC2)N1S(=O)(=O)c1ccc(Cl)cc1 |r,THB:13:11:5:7.8|
OCCN1CC2CC1CN2C(=O)OC1(CC1)[C@H]1COC[C@@H](CC2CC2)N1S(=O)(=O)c1ccc(Cl)cc1 |r,TLB:2:3:9.8:6|
C[C@H]1CN(C[C@@H](C)N1CCO)C(=O)OC1(CC1)[C@H]1COC[C@@H](CC2CC2)N1S(=O)(=O)c1ccc(Cl)cc1 |r|
CN1CCN(CC1=O)C(=O)OC1(CC1)[C@H]1COC[C@@H](CC2CC2)N1S(=O)(=O)c1ccc(Cl)cc1 |r|
CC[C@H]1CN([C@H](C)CN1C(=O)OC1(CC1)[C@H]1COC[C@@H](CC2CC2)N1S(=O)(=O)c1ccc(Cl)cc1)C(C)=O |r|
CC(C)(CO)N1CCN(CC1)C(=O)OC1(CC1)[C@H]1COC[C@@H](CC2CC2)N1S(=O)(=O)c1ccc(Cl)cc1 |r|
Clc1ccc(cc1)S(=O)(=O)N1[C@H](CC2CC2)COC[C@@H]1C1(CC1)OC(=O)N1CCC2(CCN2)CC1 |r|
CN1CCC11CCN(CC1)C(=O)OC1(CC1)[C@H]1COC[C@@H](CC2CC2)N1S(=O)(=O)c1ccc(Cl)cc1 |r|
Clc1ccc(cc1)S(=O)(=O)N1[C@H](CC2CC2)COC[C@@H]1C1(CC1)OC(=O)N1CCC2(CC(=O)N2)CC1 |r|
FC(F)(F)c1cc(nn1-c1ccc(NC(=O)c2ccccc2)nc1)-c1cccnc1
CSc1nn(-c2ccccc2)c2cc(NC(=O)C3CCNCC3)ccc12
Fc1ccc(F)c(OCCCc2ccc(cc2)C2=C([C@H]3CNC[C@@H](C2)N3)C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)c1Cl |r,wU:19.27,wD:23.26,t:18,TLB:14:17:25:21.20.22,THB:26:18:25:21.20.22,(15.78,2.08,;16.56,.76,;18.11,.78,;18.88,-.55,;18.12,-1.88,;18.89,-3.22,;16.57,-1.88,;15.81,-3.22,;14.27,-3.23,;13.5,-4.56,;11.96,-4.57,;11.2,-5.91,;11.97,-7.24,;11.21,-8.58,;9.67,-8.58,;8.89,-7.25,;9.65,-5.92,;8.9,-9.91,;7.71,-9.34,;8.43,-10.84,;10.24,-11.17,;11.35,-10.55,;10.81,-12.02,;9.09,-11.68,;9.43,-10.43,;7.9,-12.31,;6.17,-9.28,;5.45,-7.92,;5.36,-10.59,;3.82,-10.53,;3,-11.83,;3.73,-13.18,;2.92,-14.49,;1.37,-14.44,;.65,-13.08,;-.89,-13.02,;1.47,-11.77,;.75,-10.41,;6.08,-11.95,;6.03,-13.48,;7.39,-12.76,;15.8,-.57,;14.26,-.57,)|
CCc1nc(N)nc(N)c1-c1ccc2O[C@](C)(C(=O)N(CCNC(C)=O)c2c1)c1ccccc1 |r|
Fc1cccc2OC3(CCN(CC3)c3ccc(nn3)-c3nnc(Cc4cccnc4)o3)CCc12
CN(Cc1n(Cc2ccncc2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12)c1ccccc1
Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12
OC(=O)C1CN(C1)C1CCC2(C1)Cc1ccccc1Oc1ccccc21
OC(=O)C1=CCN(CC1)C1CCC2(C1)Cc1ccccc1Oc1ccccc21 |t:3|
OC(=O)C1CN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r|
OC(=O)[C@]12C[C@H]1CN(C2)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r|
OC(=O)C1(F)CCN(CC1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r|
OC(=O)C1CCN(CC1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r|
OC(=O)C1=CCCN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r,t:3|
COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
FC(F)(F)c1ccc(cc1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1
Clc1ccc(c(Cl)c1)-c1ccn(-c2ccc3n(CCN4CCCC4)ncc3c2)c(=O)c1
O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(CCN3CCCC3)ncc2c1
O=c1cc(OCc2ccccc2)ccn1-c1ccc2c3CNCCc3[nH]c2c1
CN1CCc2c(C1)c1ccc(cc1n2C)-n1ccc(OCc2ccccc2)cc1=O
Cn1c2CNCCc2c2ccc(cc12)-n1ccc(OCc2ccccc2)cc1=O
CN1CCc2c(C1)n(C)c1cc(ccc21)-n1ccc(OCc2ccccc2)cc1=O
O[C@H]1CCN(CCn2ncc3cc(ccc23)-n2ccc(OCc3ccccc3)cc2=O)C1 |r|
O=c1cc(OCc2ccccc2)ccn1-c1ccc2n(CC3=NCCN3)ncc2c1 |t:23|
Cc1ccc(cc1NC(=O)c1cnn(c1N)-c1ccccc1F)C(=O)Nc1ccon1
CN(O)C(=O)c1cc2c(CN3CCC[C@H]3C(N)=O)cn(Cc3ccc(F)cc3)c2cn1 |r|
O=C(N1CCCCC1)c1ccccc1N1Cn2c(ccc2-c2ccccc2)C1=O
Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3Cl)c2c(=O)n(C)c1=O |r|
Cc1ccc(F)cc1Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)N1CCC[C@@](C)(N)C1 |r|
CCn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r|
CN(C)C(=O)Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3Cl)c2c(=O)n(C)c1=O |r|
Cn1c(=O)n(CCCO)c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3Cl)c2c1=O |r|
Cc1ccc(F)cc1Cn1c(cc2ncn(C)c(=O)c12)N1CCC[C@@](C)(N)C1 |r|
COc1cccc2c(cn(CC3CCCCC3)c12)C(=O)N1CCN2CCCC[C@H]2C1 |r|
C[C@H](Oc1ccc(cc1C(=O)N1Cc2ccc(Cl)cc2C1)S(C)(=O)=O)C(F)(F)F |r|
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
NC(=O)c1cc(C(N)=O)n(n1)-c1cccc(c1)-c1cc(ccc1C(F)(F)F)C(F)(F)F
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccncc1 |c:4|
Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1cccnc1 |c:4|
Cc1cc(ccn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:15|
Cc1cc(cc(C)n1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:16|
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(c2)N2CCNC2=O)CC1
CN([C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
C[C@@H](C(=O)N(C)[C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)c1ccc(F)cc1 |r|
CC(C)(C)NC(=O)Cn1c(cc2cc(ccc12)C(C)(C)C(=O)NC(C)(C)C)-c1ccc(OC(F)(F)F)cc1
CN([C@@H]1CCc2c(CC(O)=O)c3ccc(F)cc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
CN([C@@H]1CCc2c(CC(O)=O)c3ccc(F)c(F)c3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
CN([C@@H]1CCc2c(CC(O)=O)c3cccc(F)c3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
OC(=O)Cc1c2CC[C@H](Cn2c2ccccc12)N(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 |r|
Cc1ccccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1F |r|
CC(C)c1ccc(cc1)S(=O)(=O)n1cc(N2CCN(C)CC2)c2ccccc12
CN1CCN(CC1)c1cn(c2ccccc12)S(=O)(=O)c1ccc(F)cc1
CN1CCN(CC1)c1cn(c2ccc(Br)cc12)S(=O)(=O)c1ccc(F)cc1
Oc1c(cnc2ccsc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wD:13.14,(24.73,-41.92,;24.73,-43.46,;23.4,-44.24,;23.4,-45.78,;24.73,-46.55,;26.07,-45.78,;27.54,-46.24,;28.43,-44.99,;27.52,-43.76,;26.06,-44.24,;22.06,-43.47,;22.06,-41.93,;20.73,-44.25,;19.39,-43.48,;19.39,-41.94,;18.06,-41.17,;16.72,-41.94,;16.73,-43.49,;18.06,-44.26,;18.61,-43.27,;17.28,-42.5,)|
OC(=O)CCNC(=O)c1ccc(Cn2nc(cc2-c2ccc(OC(F)(F)F)cc2)-c2cc(Cl)cc(Cl)c2)cc1
COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl)N1CCOCC1
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
CN[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CN[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CN[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CN[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CNC[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CNC[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
CNC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
NCC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
NCC[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
CNC1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc12
CN[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
CN(C)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
CN(C\C=C/CN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
CN(C\C=C/CN)C[C@H]1O[C@H]([C@H](F)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
CN(C\C=C/CN)C[C@H]1O[C@H]([C@@H](F)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
CN(C\C=C/CN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12 |r|
CN(C\C=C/CN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(C)nc12 |r|
Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1ccccc1
Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccnc1
Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(O)c1
Nc1cccc(c1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1
CCOC(=O)c1sc2cnccc2c1Nc1ccc2C(CCc2c1)N=O
CCOC(=O)c1oc2cnccc2c1Nc1ccc2C(CCc2c1)N=O
CN(C)CCC1=C(Cc2cnccn2)c2ccccc2C1 |c:5|
CCN(C)CCC1=C(Cc2cnccn2)c2ccccc2C1 |c:6|
CCCN(C)CCC1=C(Cc2cnccn2)c2ccccc2C1 |c:7|
CN(CCF)CCC1=C(Cc2cnccn2)c2ccccc2C1 |c:7|
C[C@H](C1=C(CCN(C)C)Cc2ccccc12)c1cnccn1 |r,c:2|
C[C@H](C1=C(CCN(C)CCF)Cc2ccccc12)c1cnccn1 |r,c:2|
C[C@H](C1=C(CCN(C)CC#N)Cc2ccccc12)c1cnccn1 |r,c:2|
C[C@H](C1=C(CCN(C)CCC#N)Cc2ccccc12)c1cnccn1 |r,c:2|
C[C@H](C1=C(CCN(C)CCC(F)(F)F)Cc2ccccc12)c1cnccn1 |r,c:2|
C(CC1=C(Cc2cnccn2)c2ccccc2C1)N1CCC1 |c:2|
C(CC1=C(Cc2cnccn2)c2ccccc2C1)N1CCCC1 |c:2|
FC1CN(CCC2=C(Cc3cnccn3)c3ccccc3C2)C1 |c:6|
FC1(F)CN(CCC2=C(Cc3cnccn3)c3ccccc3C2)C1 |c:7|
FC1(F)CCN(CCC2=C(Cc3cnccn3)c3ccccc3C2)C1 |c:8|
FC1CCN(CCC2=C(Cc3cnccn3)c3ccccc3C2)C1 |c:7|
C[C@H](C1=C(CCN(C)Cc2ccco2)Cc2ccccc12)c1cnccn1 |r,c:2|
C[C@H](C1=C(CCN(C)Cc2cccs2)Cc2ccccc12)c1cnccn1 |r,c:2|
C[C@H](C1=C(CCN(C)Cc2nccs2)Cc2ccccc12)c1cnccn1 |r,c:2|
C[C@H](C1=C(CCN(C)Cc2ncco2)Cc2ccccc12)c1cnccn1 |r,c:2|
C[C@H](C1=C(CCN(C)Cc2ncc[nH]2)Cc2ccccc12)c1cnccn1 |r,c:2|
C[C@H](C1=C(CCN(C)Cc2nccn2C)Cc2ccccc12)c1cnccn1 |r,c:2|
C[C@H](C1=C(CCN(C)Cc2ccccn2)Cc2ccccc12)c1cnccn1 |r,c:2|
C[C@H](C1=C(CCN(C)Cc2ccncc2)Cc2ccccc12)c1cnccn1 |r,c:2|
C[C@H](C1=C(CCN(C)Cc2cnccn2)Cc2ccccc12)c1cnccn1 |r,c:2|
C[C@H](C1=C(CCN(C)CC2CCOCC2)Cc2ccccc12)c1cnccn1 |r,c:2|
Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)C(=O)Nc1nc2ccccc2[nH]1 |r,wU:27.31,wD:30.38,(-9.22,-32.11,;-9.21,-33.66,;-10.54,-34.43,;-10.55,-35.97,;-9.21,-36.74,;-7.87,-35.96,;-6.4,-36.43,;-5.5,-35.18,;-6.41,-33.93,;-5.64,-32.61,;-6.41,-31.28,;-5.64,-29.95,;-4.09,-29.94,;-3.33,-28.62,;-1.8,-28.61,;-1.03,-29.95,;-1.8,-31.28,;-3.33,-31.27,;-4.1,-32.61,;-3.33,-33.95,;.51,-29.95,;1.28,-31.28,;2.82,-31.28,;3.59,-29.95,;2.81,-28.61,;1.27,-28.62,;-7.88,-34.42,;-5.91,-37.9,;-4.4,-38.2,;-3.92,-39.67,;-4.95,-40.82,;-6.46,-40.5,;-6.94,-39.04,;-4.47,-42.28,;-5.26,-43.61,;-2.93,-42.3,;-2.15,-40.97,;-2.75,-39.55,;-1.6,-38.53,;-1.58,-37,;-.25,-36.25,;1.08,-37.03,;1.06,-38.56,;-.27,-39.31,;-.61,-40.82,)|
CCCCN1C(=O)C(CC(C)C)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1
CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)[C@H](O)C(C)C
CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)[C@H](O)C1CCCCC1
CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1 |r|
CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 |r|
CCCCN1C(=O)[C@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@@H](O)C1CCCCC1 |r|
CCCCN1C(=O)[C@@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@H](O)C1CCCCC1 |r|
CCCCN1C(=O)[C@@H](NC(=O)C11CCN(Cc2ccc(Oc3ccc(cc3)C(O)=O)cc2)CC1)[C@@H](O)C1CCCCC1 |r|
Fc1cc2nc(-c3ccc(Cl)cc3)n([C@@H](C3CCCCC3)C(=O)NC3CCCCC3)c2cc1Cl |r|
Fc1cc2nc(-c3ccc(Cl)cc3)n([C@@H](C3CCCCC3)C(=O)NC3CCCCC3)c2cc1F |r|
O[C@H]1CC[C@@H](CC1)NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)cc1 |r,wU:10.18,4.7,wD:1.0,(28.92,-17.2,;30.26,-16.44,;31.59,-17.22,;32.93,-16.47,;32.94,-14.93,;31.61,-14.15,;30.28,-14.9,;34.28,-14.17,;35.61,-14.95,;35.59,-16.49,;36.94,-14.19,;38.27,-14.97,;38.25,-16.51,;39.57,-17.29,;40.92,-16.53,;40.93,-14.99,;39.6,-14.2,;36.96,-12.65,;37.86,-11.39,;36.94,-10.14,;35.47,-10.63,;34.13,-9.86,;32.8,-10.63,;31.47,-9.86,;32.8,-12.18,;31.47,-12.95,;34.14,-12.95,;35.48,-12.18,;39.4,-11.37,;40.17,-12.7,;41.71,-12.7,;42.48,-11.36,;44.02,-11.35,;41.69,-10.02,;40.15,-10.04,)|
OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)cc1 |r,wU:12.20,6.9,wD:3.2,(-9.7,-28.54,;-8.37,-29.32,;-8.39,-30.86,;-7.03,-28.57,;-5.7,-29.35,;-4.35,-28.59,;-4.35,-27.05,;-5.67,-26.27,;-7.01,-27.03,;-3.01,-26.29,;-1.68,-27.07,;-1.69,-28.61,;-.34,-26.31,;.99,-27.09,;.96,-28.63,;2.29,-29.41,;3.63,-28.66,;3.64,-27.12,;2.31,-26.33,;-.33,-24.77,;.57,-23.51,;-.35,-22.26,;-1.82,-22.75,;-3.15,-21.99,;-4.48,-22.76,;-5.82,-21.99,;-4.48,-24.3,;-5.82,-25.07,;-3.15,-25.07,;-1.81,-24.3,;2.11,-23.5,;2.89,-24.83,;4.42,-24.82,;5.19,-23.48,;6.73,-23.47,;4.4,-22.15,;2.87,-22.16,)|
OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c(F)c1 |r|
OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c(Cl)c1 |r|
Cc1cc(ccc1NC(=O)[C@H](C1CCCCC1)n1c(nc2cc(F)c(F)cc12)-c1ccc(Cl)cc1)C(O)=O |r|
OC(=O)C1(CC1)Oc1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c(F)c1 |r|
Fc1cc2nc(-c3ccc(Cl)cc3)n([C@@H](C3CCCCC3)C(=O)Nc3ccc(cc3F)-c3nnn[nH]3)c2cc1F |r|
OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3ccccc23)-c2ccc(Cl)cc2)c(c1)C(F)(F)F |r|
COc1ccc(-c2nc3cc(F)c(F)cc3n2[C@@H](C2CCCCC2)C(=O)N[C@H]2CC[C@@H](CC2)C(O)=O)c(OC)n1 |r,wU:17.18,27.29,wD:30.36,(11.8,-19.09,;11.04,-17.76,;9.49,-17.74,;8.72,-19.08,;7.17,-19.07,;6.42,-17.75,;4.41,-17.75,;3.93,-16.28,;2.39,-16.28,;1.33,-15.13,;-.15,-15.46,;-1.19,-14.32,;-.62,-16.92,;-2.12,-17.24,;.41,-18.07,;1.92,-17.75,;3.17,-18.65,;3.17,-20.21,;4.5,-20.98,;4.5,-22.52,;5.84,-23.29,;7.17,-22.52,;7.17,-20.98,;5.84,-20.21,;1.83,-20.98,;1.83,-22.52,;.5,-20.21,;-.84,-20.98,;-.84,-22.53,;-2.16,-23.29,;-3.47,-22.54,;-3.47,-21,;-2.17,-20.21,;-4.83,-23.32,;-6.17,-22.55,;-4.83,-24.88,;7.19,-16.41,;6.42,-15.07,;7.12,-13.7,;8.73,-16.41,)|
OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)cc1 |r|
CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |c:13,t:10|
O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccco1)C1CC1
O=C(Nc1cnc(-c2ccncc2)c(n1)-c1cccnc1)C1CC1
O=C(Nc1cnc(-c2ccncc2)c(n1)-c1ccncc1)C1CC1
Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1cccnc1
Fc1cncc(F)c1-c1ncc(NC(=O)C2CC2)nc1-c1cccnc1 |(-1.07,4.1,;-2.52,3.57,;-3.7,4.56,;-5.15,4.04,;-5.41,2.52,;-4.23,1.53,;-4.76,.08,;-2.79,2.06,;-1.25,.77,;.08,1.54,;1.41,.77,;1.41,-.77,;2.75,-1.54,;4.08,-.77,;5.41,-1.54,;4.08,.77,;4.85,2.1,;3.31,2.1,;.08,-1.54,;-1.25,-.77,;-2.79,-2.06,;-4.23,-1.53,;-5.41,-2.52,;-5.15,-4.04,;-3.7,-4.56,;-2.52,-3.57,)|
Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1ccncc1
Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1ncco1
Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1cnco1
FC(F)c1nc2oc(=O)cc(CCCC3CC3)c2c(=O)[nH]1
C[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2)CC1)c1ncc(cc1Cl)C(=O)NCc1ccc(F)c(F)c1 |r|
Cc1cccc(C)c1-c1nc2ccc(cc2[nH]1)C(=O)Nc1ccc2ccccc2n1
Cc1ccccc1-c1nc2ccc(cc2[nH]1)C(=O)Nc1ccc2ccccc2n1
CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r|
C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCN(CC1)c1ccc(F)cc1)N(O)C=O)c1ncc(F)cn1 |r|
C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CC1)OCc1ccc(Cl)cc1Cl)N(O)C=O)c1ncc(F)cn1 |r|
C[C@@H](C[C@@H](CS(=O)(=O)N1CCN(CC1)c1ccc(F)cc1)N(O)C=O)c1ncc(F)cn1 |r|
CNC(C)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
CC(N(C)C)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
CC(N(C)C)C1(CCCCC1)c1ccc2ccccc2c1
c1cc(c(cc1I)F)Nc2c(cc(c(c2F)F)CN3C(=O)CCCO3)C(=O)NOCCO
N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1 |r|
Cc1c(ncn1Cc1cccc(c1)C(F)(F)F)C(=O)Nc1ccn(C)n1
CCO[C@@H]1Cc2cc(ccc2[C@H]1N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)C(F)(F)F |r|
C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2F)-c2ccccc2)c2c(N)ncnn12 |r,wU:4.6,1.1,wD:1.0,(-2.6,-22.44,;-3.93,-21.67,;-4.34,-23.15,;-3.24,-20.29,;-4.61,-19.61,;-5.31,-20.98,;-5.1,-18.14,;-4.2,-16.89,;-5.11,-15.65,;-4.34,-14.32,;-5.11,-12.99,;-4.34,-11.66,;-2.79,-11.65,;-2.03,-10.33,;-.5,-10.33,;.27,-11.66,;-.5,-12.99,;-2.03,-12.99,;-2.8,-14.32,;-2.03,-15.66,;1.81,-11.66,;2.58,-13,;4.12,-13,;4.89,-11.66,;4.11,-10.32,;2.57,-10.33,;-6.58,-16.13,;-7.91,-15.37,;-7.92,-13.83,;-9.24,-16.14,;-9.25,-17.68,;-7.91,-18.46,;-6.57,-17.68,)|
CC(C)N(CCO)Cc1csc(n1)-c1cn(CC2CCOCC2)c2c(Cl)cccc12
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCC2(CC#N)CC2)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCCOC)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCCN(C)C)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCCCNS(C)(=O)=O)c1 |r|
CCNC(=O)NCCCOc1cc(CCCOC)cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCC(C)(C)O)c1 |r|
CCOC(=O)[C@H]1C[C@@H]1COc1cc(CCCOC)cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OC[C@H]2C[C@@H]2C(O)=O)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCC2(CC(O)=O)CC2)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCC(C)(C)C(O)=O)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCCC(C)(C)C(O)=O)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCCCC(C)(C)C(O)=O)c1 |r|
CCC(CC)(CCOc1cc(CCCOC)cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1)C(O)=O |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCCC2(CCCC2)C(O)=O)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCC[C@](C)(OC)C(O)=O)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OC[C@H]2C[C@@H]2C(=O)NS(C)(=O)=O)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCC2(Cc3nnn[nH]3)CC2)c1 |r|
O=C(N1CCC(CC1)c1cn[nH]c1)N1CCCc2ccccc12
Cn1cc(cn1)C1CCN(CC1)C(=O)N1CCCc2ccccc12
Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1cnccn1
Cn1c(nnc1C1(CC(F)C1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-c1cnccn1
CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)N2CCS(=O)(=O)CC2)no1
CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)C2CCOCC2)no1
CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)CN2CCS(=O)(=O)CC2)no1
COc1ccccc1N1CCN(CC1)C(=O)c1cc(n[nH]1)-c1ccccc1
COc1ccccc1N1CCN(CC1)C(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1
COc1ccccc1N1CCN(CC1)C(=O)c1cc(nn1C)-c1ccc(Cl)cc1
COc1ccccc1N1CCN(CC1)C(=O)c1cc(-c2ccc(Cl)cc2)n(C)n1
CC[C@H](NC(=O)c1c(O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 |r|
CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r|
CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccnn3C)sc12
CN1c2c(cnc(n2)NC3CCOCC3)C=C(C1=O)Oc4ccc(cc4F)F
CN1c2c(cnc(n2)NC(CCO)CCO)C=C(C1=O)Oc3ccc(cc3F)F
O=C1CC(=O)N(CCc2ccccc2)C(=O)N1CCc1ccccc1
Clc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1 |r|
Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccccc1
Nc1ncc(nc1C(=O)Nc1ccccc1)-c1cccnc1
OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CCC(CC1)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cc1 |r,wU:6.9,wD:3.2,(20.61,-31.2,;19.27,-30.45,;19.25,-28.91,;17.95,-31.23,;16.6,-30.48,;15.28,-31.27,;15.31,-32.8,;16.65,-33.55,;17.96,-32.77,;13.99,-33.59,;14.01,-35.12,;12.65,-32.84,;11.32,-33.63,;9.99,-32.88,;9.97,-31.35,;11.27,-30.55,;12.62,-31.3,;8.62,-30.6,;7.3,-31.4,;5.96,-30.65,;5.92,-29.1,;4.57,-28.36,;3.27,-29.17,;3.32,-30.7,;1.9,-28.44,;.69,-29.39,;-.59,-28.53,;-.17,-27.05,;1.38,-26.98,;2.14,-25.65,;3.68,-25.64,;1.37,-24.32,;2.76,-24.25,;-1.94,-29.27,;-3.26,-28.47,;-4.61,-29.21,;-4.65,-30.75,;-3.32,-31.55,;-1.97,-30.81,;7.25,-28.31,;8.6,-29.06,)|
COC(=O)C(C)(C)C(c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1
C[C@H]([C@@H](c1ccc(Nc2nc3ccccc3s2)cc1)n1ccnc1)N(C)C |r|
CC(C)C(O)(c1cnc[nH]1)c1cccc(c1)-c1ccccc1
COc1ccc(cc1)-c1cccc(c1)C(O)(C(C)C)c1cnc[nH]1
CC(C)C(O)(c1cnc[nH]1)c1cccc(c1)-c1ccc(F)cc1
CC(C)C(O)(c1cnc[nH]1)c1cccc(c1)-c1ccc(Cl)cc1
CC(C)C(O)(c1cnc[nH]1)c1ccc(cc1)-c1ccccc1
COc1ccc(cc1)-c1ccc(cc1)C(O)(C(C)C)c1cnc[nH]1
CC(C)C(O)(c1cnc[nH]1)c1ccc(cc1)-c1ccc(F)cc1
CC(C)C(O)(c1cnc[nH]1)c1ccc(cc1)-c1ccc(Cl)cc1
CC(C)C(O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)c1
CC(C)C(O)(c1cnc[nH]1)c1ccc(cc1)-c1ccc(NC(C)=O)cc1
CNC(=O)c1cccc(c1)-c1ccc(cc1)C(O)(C(C)C)c1cnc[nH]1
CNS(=O)(=O)c1cccc(c1)-c1ccc(cc1)C(O)(C(C)C)c1cnc[nH]1
CNC(=O)Nc1cccc(c1)-c1ccc(cc1)C(O)(C(C)C)c1cnc[nH]1
CC(C)C(O)(c1cnc[nH]1)c1ccc(cc1)-c1ccccn1
CC(C)C(O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)n1
CC(=O)Nc1cccc(c1)-c1ccc(cc1)C(C)(O)c1cnc[nH]1
CCC(O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)c1
CC(=O)Nc1cccc(c1)-c1ccc(cc1)C(O)(C1CC1)c1cnc[nH]1
CC(=O)Nc1cccc(c1)-c1ccc(cc1)C(O)c1cnc[nH]1
CC(C)[C@@](O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)c1 |r|
CC(C)[C@](O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)c1 |r|
CC(C)[C@@](O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)n1 |r|
CC(C)[C@](O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)n1 |r|
CC[C@@](O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)c1 |r|
CC[C@](O)(c1cnc[nH]1)c1ccc(cc1)-c1cccc(NC(C)=O)c1 |r|
C(c1ccccc1)c1ncc2CCNCCc2n1
CC#CC(CC(O)=O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1
CC#CC(CC(O)=O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1F
CC#C[C@H](c1oc(=O)[nH]c1O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1 |r|
Cc1ccc(cc1)S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Cc1ccc(cc1)S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC(C)(C)C)ccc12 |r|
Cc1ccc(cc1)S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNCC(C)(C)C)ccc12 |r|
C[C@@H](C(=O)N(C)[C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)c1ccc(F)cc1 |r|
CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)C1(CCCC1)c1ccc(F)cc1 |r|
CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)Cc1ccc(F)cc1 |r|
CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)C1(CCC1)c1ccc(F)cc1 |r|
COc1cc(F)ccc1-c1cncc(CNC2CCCC2)c1
COc1cc(F)ccc1-c1cncc(CNCC2CC2)n1
COc1cc(F)ccc1-c1cncc(CNC(=O)c2cnccn2)c1
COc1cc(F)ccc1-c1cncc(CNC(=O)c2ccccn2)c1
C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(CC1)c1ccccc1
Cc1c(Nc2ccc(cc2Cl)C#N)ncnc1OC1C[C@@H]2CC[C@@H](C1)N2S(=O)(=O)C1CC1 |r,TLB:17:18:25:21.22|
Cn1c(-c2ccoc2)c(C2CCCCC2)c2ccc(cc12)C(=O)NC(C)(C)C(=O)Nc1ccc(\C=C\C(O)=O)cc1
Cn1c(c(C2CCCCC2)c2ccc(cc12)C(=O)NC(C)(C)C(=O)Nc1ccc(\C=C\C(O)=O)cc1)-c1ccccn1
COC[C@@H](O)Cn1c(=O)cnn(-c2ccc(Cl)c(c2)C(=O)NCC2(O)CCCCCC2)c1=O |r|
COc1ccc(CN2CCN(CC2=O)C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1 |r|
CCS(=O)(=O)c1ccc(c(C)c1)-c1cc(ccc1OCC(O)=O)C(F)(F)F
OC(=O)c1cc2cc(Br)cc(NCC3CCNCC3)c2o1
N[C@H]1CC[C@H](CC1)Nc1cc(Br)cc2cc(oc12)C(O)=O |r,wU:4.7,1.0,(33.37,-17.22,;34.71,-16.45,;34.71,-14.91,;36.04,-14.15,;37.36,-14.92,;37.38,-16.46,;36.04,-17.22,;38.7,-14.15,;38.69,-12.61,;37.36,-11.84,;37.36,-10.3,;36.03,-9.53,;38.69,-9.53,;40.02,-10.29,;41.49,-9.81,;42.4,-11.05,;41.5,-12.3,;40.03,-11.83,;43.94,-11.04,;44.72,-12.37,;44.7,-9.7,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(Br)cc2cc(oc12)C(O)=O |r,wU:1.0,wD:4.7,(48.98,-16.4,;50.31,-15.63,;50.32,-14.09,;51.64,-13.33,;52.97,-14.1,;52.98,-15.64,;51.64,-16.4,;54.3,-13.33,;54.3,-11.79,;52.96,-11.02,;52.97,-9.48,;51.63,-8.71,;54.29,-8.71,;55.63,-9.47,;57.09,-8.99,;58,-10.23,;57.1,-11.48,;55.64,-11.01,;59.54,-10.22,;60.32,-11.55,;60.3,-8.88,)|
Cc1noc(C)c1CCC1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)C1CCC1)N(O)C=O
Cc1noc(C)c1CCC1CCN(CC1)S(=O)(=O)CC1(CCC(F)(F)CC1)N(O)C=O
Cc1noc(C)c1CCC1CCN(CC1)S(=O)(=O)CC1(CCS(=O)(=O)CC1)N(O)C=O
Cc1noc(C)c1CCC1CCN(CC1)S(=O)(=O)CC1(CCOC(C)(C)C1)N(O)C=O
CN1CCC(CS(=O)(=O)N2CCC(CCc3c(C)noc3C)CC2)(CC1)N(O)C=O
CC(CS(=O)(=O)N1CCN(CC1)c1ccc(F)cc1)N(O)C=O
CC(C)(CS(=O)(=O)N1CCN(CC1)c1ccc(F)cc1)N(O)C=O
ON(C=O)C1(CS(=O)(=O)N2CCN(CC2)c2ccc(F)cc2)CCC1
CN1CCC(CS(=O)(=O)N2CCN(CC2)c2ccc(F)cc2)(CC1)N(O)C=O
ON(C=O)C1(CS(=O)(=O)N2CCN(CC2)c2ccc(F)cc2)CCOCC1
CCc1c(C)nc(nc1Nc1ccc(CC(O)=O)cc1F)-c1ccc(F)s1
CCc1c(C)nc(nc1Nc1ccc(CC(O)=O)cc1)-c1ccc(Cl)s1
ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc2cc(F)ccc2n1 |r|
ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc(Cl)cc1 |r|
ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NCc1ccc2ccccc2c1 |r|
ONC(=O)c1cnc(nc1)N1C[C@H]2[C@@H](C1)[C@@H]2NS(=O)(=O)c1ccc2ccccc2c1 |r|
CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)c(F)c1)-c1ccc(F)cc1
CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)cc1)-c1ccc(F)cc1
NCC(=O)N1CCn2c(C1)nc(c2Nc1ccc2OCOc2c1)-c1ccccc1
Cc1nc(-c2ccc(F)cc2F)n(C)c1CC(=O)NCc1ccc(F)cc1Cl
Fc1cccc2c(Cn3c(nc4nccnc34)C3CC(F)(F)C3)cc(=O)[nH]c12
Fc1ccc2c(Cn3c(nc4nccnc34)C3CCC3)cc(=O)[nH]c2c1F
CC(C)Cc1nc2nccnc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
Fc1cccc2c(Cn3c(nc4nccnc34)C3CCC3)cc(=O)[nH]c12
Cc1c(cn2ncnc(Nc3cc(NC(=O)c4cc(F)cc(c4)N4CCOCC4)ccc3C)c12)C(=O)c1ccccc1
CN1CC(Cl)=C(C1)c1cn(c2ccccc12)S(=O)(=O)c1ccccc1 |c:4|
c1ccc(cc1)NS(=O)(=O)c2cccc(c2)/C=C/C(=O)NO
Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1
OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1
ONC(=O)\C=C\c1ccc2CN(Cc2c1)C(=O)Cc1ccccc1
ONC(=O)\C=C\c1ccc2CN(Cc2c1)S(=O)(=O)c1cccs1
COc1ccc(cc1)S(=O)(=O)N1Cc2ccc(\C=C\C(=O)NO)cc2C1
ONC(=O)\C=C\c1ccc2CN(CCC3CCCCC3)Cc2c1
ONC(=O)\C=C\c1ccc2CN(CCc3c[nH]c4ccccc34)Cc2c1
ONC(=O)\C=C\c1ccc2CN(CCc3cnn4ccccc34)Cc2c1
Cc1[nH]c2ccccc2c1CCN1Cc2ccc(\C=C\C(=O)NO)cc2C1
C[C@H](c1c(CCN(C)C)sc2ccccc12)c1ccccn1 |r|
CCCCN1C(=O)C(NC(=O)C11CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)C(C)C
C[C@@]12CN(CCN1C(=O)N([C@H]1C[C@@H]1c1ccccc1)C2=O)C(=O)Nc1ccnn1-c1ccccc1 |r|
CN1C[C@H]2CCCC[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
CN1C[C@@H]2CCCC[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Clc1ccc(cc1Cl)[C@@]12CNC[C@@H]1CCCC2 |r|
Clc1ccc(cc1Cl)[C@]12CNC[C@H]1CCCC2 |r|
CCN1C[C@H]2CCCC[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
CCN1C[C@@H]2CCCC[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
CN1C[C@H]2CCC[C@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
Clc1ccc(cc1Cl)[C@]12CCC[C@H]1CNC2 |r|
Clc1ccc(cc1Cl)[C@@]12CCC[C@@H]1CNC2 |r|
C1C[C@H]2CNC[C@]2(C1)c1ccc2ccccc2c1 |r|
C1C[C@@H]2CNC[C@@]2(C1)c1ccc2ccccc2c1 |r|
CN1C[C@@H]2CCC[C@@]2(C1)c1ccc(Cl)c(Cl)c1 |r|
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)-c2cccc(CN)c2)CC1 |r,wU:9.8,wD:12.12,(-10.3,5.18,;-8.97,5.96,;-8.98,7.5,;-10.31,6.73,;-7.64,5.19,;-6.3,5.97,;-6.31,7.51,;-4.97,5.2,;-4.96,3.66,;-3.63,2.89,;-2.3,3.67,;-.97,2.89,;-.97,1.35,;.37,.58,;.36,-.96,;1.7,-1.73,;3.03,-.96,;1.69,-3.27,;3.02,-4.03,;3.03,-5.57,;1.69,-6.35,;.36,-5.58,;-.97,-6.33,;-2.29,-5.57,;-2.29,-4.03,;-.96,-3.27,;.36,-4.04,;4.36,-6.34,;4.36,-7.88,;5.69,-8.65,;7.03,-7.87,;7.02,-6.33,;8.35,-5.55,;9.69,-6.31,;5.68,-5.56,;-2.3,.59,;-3.63,1.35,)|
Cc1csc(n1)C12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r|
Cc1ccn(CC23C[C@]2(CCNC3)c2ccc(Cl)c(Cl)c2)n1 |r|
Cc1ccnn1CC12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r|
Cc1cc(C)n(CC23C[C@]2(CCNC3)c2ccc(Cl)c(Cl)c2)n1 |r|
Cc1nc(C)n(CC23C[C@]2(CCNC3)c2ccc(Cl)c(Cl)c2)n1 |r|
CC[C@@]1(N)CCCN(C1)c1cc2n(C)c(=O)n(C)c(=O)c2n1Cc1cc(F)ccc1C#N |r|
Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r|
C(COc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1CCOCC1)CN1CCCCC1 |r,wU:12.16,wD:9.9,(21.81,-23.48,;23.35,-23.48,;24.12,-22.15,;25.66,-22.15,;26.43,-23.49,;27.96,-23.5,;28.74,-22.17,;27.97,-20.83,;26.43,-20.82,;30.28,-22.18,;31.04,-23.52,;32.58,-23.53,;33.36,-22.21,;32.6,-20.87,;31.05,-20.85,;34.9,-22.22,;35.65,-23.56,;37.19,-23.58,;37.97,-22.26,;37.22,-20.92,;35.67,-20.9,;21.04,-22.14,;19.5,-22.14,;18.74,-23.47,;17.2,-23.47,;16.42,-22.14,;17.2,-20.8,;18.74,-20.8,)|
C(COc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1CCCC1)CN1CCCCC1 |r,wU:12.16,wD:9.9,(16.8,-5.71,;18.34,-5.71,;19.11,-4.38,;20.65,-4.38,;21.42,-5.73,;22.95,-5.73,;23.73,-4.4,;22.96,-3.07,;21.42,-3.06,;25.27,-4.42,;26.03,-5.76,;27.57,-5.77,;28.35,-4.44,;27.59,-3.1,;26.05,-3.09,;29.89,-4.46,;30.79,-5.71,;32.25,-5.25,;32.27,-3.71,;30.81,-3.22,;16.03,-4.38,;14.49,-4.37,;13.73,-5.7,;12.19,-5.7,;11.41,-4.37,;12.19,-3.04,;13.73,-3.04,)|
C(COc1ccc(cc1)[C@@H]1CC[C@@H](CC1)N1CCCC1)CN1CCCCC1 |r,wU:9.9,12.16,(-5.18,-6.04,;-3.64,-6.04,;-2.87,-4.71,;-1.33,-4.71,;-.56,-6.05,;.97,-6.06,;1.75,-4.73,;.98,-3.39,;-.56,-3.38,;3.29,-4.74,;4.05,-6.09,;5.59,-6.1,;6.37,-4.77,;5.61,-3.43,;4.07,-3.41,;7.91,-4.78,;8.81,-6.04,;10.27,-5.57,;10.29,-4.03,;8.83,-3.54,;-5.95,-4.7,;-7.49,-4.7,;-8.25,-6.03,;-9.79,-6.03,;-10.57,-4.7,;-9.79,-3.37,;-8.25,-3.37,)|
CN(C)[C@H]1CC[C@@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:3.2,wD:6.9,(46.41,2.61,;45.65,3.95,;46.43,5.28,;44.11,3.96,;43.33,2.64,;41.79,2.65,;41.03,3.99,;41.8,5.32,;43.35,5.3,;39.49,4,;38.71,2.68,;37.18,2.68,;36.41,4.02,;34.87,4.03,;34.1,2.69,;32.56,2.7,;31.79,4.03,;30.25,4.03,;29.49,2.71,;27.95,2.71,;27.17,4.03,;27.95,5.37,;29.49,5.37,;37.18,5.35,;38.72,5.34,)|
CN(C)[C@H]1CC[C@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:6.9,3.2,(26.01,2.94,;25.25,4.28,;26.03,5.61,;23.71,4.3,;22.92,2.97,;21.39,2.98,;20.63,4.32,;21.4,5.65,;22.95,5.64,;19.09,4.34,;18.31,3.01,;16.77,3.02,;16.01,4.36,;14.47,4.36,;13.7,3.03,;12.16,3.03,;11.39,4.37,;9.85,4.37,;9.08,3.04,;7.54,3.04,;6.77,4.37,;7.54,5.7,;9.08,5.7,;16.78,5.69,;18.32,5.68,)|
CS(=O)(=O)Nc1ccc(cn1)Nc2ncc3cnn(c3n2)C4CCCCCC4
CS(=O)(=O)N(CCN1CCOCC1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1
CC[C@@H](NC(=O)c1ccc2n(Cc3ncc(F)cc3F)cnc2c1)c1ccccc1 |r|
Clc1ccccc1NC(=O)N1CCN(CC1)c1nc(no1)-c1ccc2ccccc2n1
Cc1c(Cl)cccc1N1CCN(CCCNC(=O)c2nc(-c3ccccc3)n(c2Cn2cncn2)-c2ccccc2)CC1
Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccc2OCCOc2c1
Cc1c(nc(-c2ccccc2)n1-c1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1C
CN(c1ccccc1-c1ccc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nn12)S(C)(=O)=O
COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCN(C[C@H](C)O)CC1 |r|
COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nn12
C[C@H](N1CC[C@@](CCC(N)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
C[C@H](N1CC[C@@](CC(N)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
C[C@H](N1CC[C@@](CCNS(N)(=O)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1F)c1ccc(cc1)-c1ccc(F)cc1 |r|
C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1 |r|
C[C@H](N1CC[C@@](CCCNS(C)(=O)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
C[C@H](N1CC[C@@](CCCO)(OC1=O)c1cccc(F)c1)c1ccc(cc1)-c1ccc(F)cc1 |r|
C[C@H](N1CC[C@@](CCNC(N)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
C[C@H](N1CC[C@@](CCCNC(N)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
C[C@H](N1CC[C@@](CCN)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
CC[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(F)cc1 |r|
CNC(=O)NCC[C@@]1(CCN([C@@H](C)c2ccc(cc2)-c2ccc(F)cc2F)C(=O)O1)c1ccc(F)cc1 |r|
CNC(=O)NCCC[C@@]1(CCN([C@@H](C)c2ccc(cc2)-c2ccc(F)cc2F)C(=O)O1)c1ccc(F)cc1 |r|
C[C@H](N1CC[C@@](CCCN)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
C[C@H](N1CC[C@@](CCNS(C)(=O)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
COC(=O)C(C)(C)C(c1ccc(Nc2ccc3ccccc3c2)cc1)n1cncn1
CC(C)C(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2snc(C)c2c(=O)n1Cc1ccccc1
CS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1 |r,wU:6.5,wD:9.12,(30.35,-14.16,;30.37,-12.61,;31.92,-12.63,;31.16,-11.28,;29.04,-11.82,;29.06,-10.28,;27.73,-9.49,;26.38,-10.24,;25.06,-9.46,;25.08,-7.91,;26.42,-7.14,;27.75,-7.94,;23.75,-7.13,;22.4,-7.89,;21.04,-7.26,;20.02,-8.37,;20.76,-9.68,;20.14,-11.16,;18.63,-11.54,;17.42,-10.61,;17.38,-9,;15.99,-8.49,;15.74,-7.02,;16.89,-6.07,;18.29,-6.59,;18.53,-8.06,;22.23,-9.38,)|
CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CN(CCc2c1C)C(CO)CO
CCC(=O)N[C@H]1CC[C@H](C1)C(=O)N(C)c1ccc(cc1)-c1nc2ccccc2o1 |r|
CN1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1
COC(=O)N1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1
CC(=O)N1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1
CS(=O)(=O)N1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1
COC(=O)N[C@H](C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccc(cc1)-c1cncc(F)c1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccccc1)C(C)(C)C |r|
Cn1nc(NCC(=O)NC2CN(C2)[C@H]2CC[C@H](CC2)c2cncs2)c2cc(ccc12)C(F)(F)F |r,wU:13.13,16.20,(32.69,-2.28,;31.44,-1.37,;29.98,-1.84,;29.08,-.6,;27.54,-.6,;26.77,.74,;25.23,.74,;24.46,-.59,;24.47,2.08,;22.93,2.09,;21.83,1,;20.74,2.1,;21.84,3.18,;19.21,2.1,;18.43,.77,;16.9,.78,;16.13,2.12,;16.89,3.45,;18.44,3.44,;14.59,2.12,;13.68,3.37,;12.22,2.9,;12.22,1.36,;13.69,.88,;29.99,.65,;29.67,2.14,;30.8,3.16,;32.27,2.69,;32.58,1.19,;31.44,.17,;30.48,4.67,;31.62,5.7,;29.02,5.14,;30.07,6.17,)|
NC(=O)c1cnc(N[C@H](C2CC2)C(F)(F)F)c2c3ccc(cc3[nH]c12)-c1cnc(N)nc1 |r|
CCC(C)(C)C(=O)N(O)Cc1ccccc1
Cn1c2NC(=NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1cccc(c1)[N+]([O-])=O |c:4|
Cn1c2N=C(NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1 |c:3|
COc1cccc(c1)C1=NC(c2c(N1)n(-c1ccc(Cl)cc1)c(=O)[nH]c2=O)(C(F)(F)F)C(F)(F)F |t:9|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnc(C#N)c12 |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc(F)c(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnc(C#N)c12 |r|
CC[C@H]1N(C2CCCCC2)c2nc(Nc3cc(F)c(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2cnc(C#N)c12 |r|
COCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1CCOc1cc(F)c(CC(=O)N2CCC2)c(F)c1 |r|
NCc1ccnc(Cl)c1
COc1cccc(\C=C\C(=O)c2cc(OC)c(OC)cc2O)c1
c1cc(ccc1C(=N)N)OCCCCCOc2ccc(cc2)C(=N)N
Cc1c(c2cccnc2n1Cc3ccc(cc3C(F)(F)F)S(=O)(=O)C)CC(=O)O
COCCCc1cc(CN(C2CC2)C(=O)C2CNCCC2(O)c2ccc(F)c(F)c2)cc(OCCOC)c1
CN(C)S(=O)(=O)NCCCCCNc1nc(cs1)-c1ccccn1
O=C(COc1ccc(cc1)-n1ccnc1)Nc1ccc(cc1)-c1ccccc1
O=C(COc1ccc(cc1)-c1cnco1)Nc1ccc(cc1)-c1ccccc1
Cn1nccc1-c1ccc(OCC(=O)Nc2ccc(cc2)-c2ccccc2)cc1
C[C@H](Nc1ccc(nc1)-c1ccnn1C)C(=O)Nc1ccc(cn1)-c1ccccc1 |r|
C[C@H](Nc1ccc(nc1)-c1ccnn1C)C(=O)Nc1ccc(nc1)-c1cccnc1 |r|
Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCOCC2)c1
CN[C@@H]1CCN(C1)C(=O)[C@@H](COCc1ccccc1)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F |r|
CN(C)[C@@H]1CCN(C1)C(=O)[C@@H](COCc1ccccc1)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F |r|
CN(C)C1CN(C1)C(=O)[C@@H](COCc1ccccc1)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F |r|
CN1CCN(CC1)C(=O)[C@@H](COCC1(C)CC1)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F |r|
CN1CCN(CC1)C(=O)[C@@H](COCC(C)(C)C)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F |r|
CN1CCN(CC1)C(=O)[C@@H](COCc1ccnc(Cl)c1)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F |r|
CN1CCN(CC1)C(=O)[C@@H](COCc1ccncc1)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F |r|
CN1CCN(CC1)C(=O)[C@@H](COCc1cnc(C)o1)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F |r|
CN1CCN(CC1)C(=O)[C@@H](COCc1ccc(F)cc1)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F |r|
CN1CCN(CC1)C(=O)[C@@H](COCc1ccc2OCCOc2c1)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F |r|
CN[C@H]1CCN(C1)C(=O)[C@@H](COCc1ccccc1)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F |r|
FC(F)(F)c1ccc(Oc2ncccc2C(=O)N[C@H](COCc2ccccc2)C(=O)N[C@@H]2CN3CCC2CC3)c(Cl)c1 |r,wD:18.18,31.32,(8.76,-41.16,;8.77,-39.62,;10.11,-38.85,;10.1,-40.39,;7.44,-38.85,;6.1,-39.61,;4.77,-38.83,;4.79,-37.3,;3.46,-36.52,;3.47,-34.98,;4.8,-34.21,;4.8,-32.67,;3.46,-31.9,;2.13,-32.67,;2.14,-34.2,;.8,-34.97,;.8,-36.51,;-.53,-34.2,;-1.86,-34.96,;-1.87,-36.5,;-3.2,-37.27,;-3.2,-38.81,;-1.87,-39.59,;-1.87,-41.13,;-.54,-41.91,;.8,-41.14,;.79,-39.59,;-.54,-38.83,;-3.2,-34.19,;-3.19,-32.65,;-4.53,-34.96,;-5.86,-34.19,;-7.2,-34.96,;-8.53,-34.18,;-8.53,-32.64,;-7.19,-31.88,;-5.86,-32.65,;-7.4,-32.68,;-7,-34.18,;6.11,-36.53,;6.11,-34.99,;7.44,-37.3,)|
FC(F)(F)c1ccc(Oc2ncccc2C(=O)N[C@H](COCc2ccccc2)C(=O)N[C@H]2CN3CCC2CC3)c(Cl)c1 |r,wU:31.32,wD:18.18,(32.59,-40.93,;32.59,-39.39,;33.93,-38.62,;33.92,-40.16,;31.26,-38.61,;29.92,-39.38,;28.59,-38.6,;28.61,-37.06,;27.28,-36.29,;27.29,-34.75,;28.62,-33.98,;28.63,-32.44,;27.29,-31.67,;25.96,-32.44,;25.96,-33.97,;24.63,-34.74,;24.62,-36.28,;23.3,-33.96,;21.96,-34.73,;21.96,-36.27,;20.62,-37.04,;20.62,-38.58,;21.96,-39.36,;21.95,-40.9,;23.28,-41.67,;24.62,-40.9,;24.62,-39.36,;23.28,-38.59,;20.63,-33.96,;20.63,-32.42,;19.29,-34.73,;17.96,-33.95,;16.62,-34.73,;15.29,-33.95,;15.3,-32.41,;16.64,-31.64,;17.96,-32.42,;16.42,-32.45,;16.82,-33.94,;29.94,-36.29,;29.93,-34.75,;31.26,-37.06,)|
CN1CCN(CC1)C(=O)[C@@H](COCc1ccccc1)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F |r|
Cc1nccn1-c1ccc(OCC(=O)Nc2ccc(cc2)-c2ccccc2)cc1
C[C@H](Nc1ccc(nc1)-c1ccnn1C)C(=O)Nc1ccc(cn1)-c1cccnc1 |r|
Cc1nc2CN(Cc3ccccc3)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(36.48,-23.4,;35.15,-24.18,;33.81,-23.42,;32.48,-24.18,;31.01,-23.7,;30.1,-24.95,;28.56,-24.95,;27.79,-23.62,;28.57,-22.29,;27.8,-20.96,;26.26,-20.96,;25.49,-22.3,;26.26,-23.63,;31.01,-26.21,;32.48,-25.73,;33.81,-26.5,;35.15,-25.73,;36.49,-26.5,;37.82,-25.73,;33.82,-28.04,;32.48,-28.81,;32.48,-30.34,;33.81,-31.12,;33.82,-32.66,;35.15,-30.34,;35.15,-28.8,;36.48,-28.03,)|
Cc1nc2cn(Cc3ccccc3)cc2c(c1CN)-c1ccc(Cl)cc1Cl |(20.7,-21.4,;19.37,-22.18,;18.03,-21.41,;16.7,-22.18,;15.23,-21.7,;14.32,-22.95,;12.78,-22.95,;12.01,-21.61,;12.79,-20.29,;12.03,-18.95,;10.48,-18.95,;9.71,-20.29,;10.48,-21.62,;15.23,-24.2,;16.7,-23.73,;18.04,-24.5,;19.37,-23.73,;20.71,-24.49,;22.04,-23.72,;18.04,-26.03,;16.7,-26.8,;16.7,-28.34,;18.04,-29.11,;18.04,-30.65,;19.37,-28.33,;19.37,-26.8,;20.7,-26.02,)|
Cc1nc2C(=O)N(Cc3ccccc3)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(2.64,-21.56,;1.31,-22.34,;-.03,-21.57,;-1.36,-22.34,;-2.83,-21.86,;-3.3,-20.4,;-3.74,-23.11,;-5.28,-23.11,;-6.05,-21.78,;-5.27,-20.45,;-6.03,-19.12,;-7.58,-19.11,;-8.35,-20.46,;-7.58,-21.78,;-2.83,-24.37,;-1.36,-23.89,;-.02,-24.66,;1.31,-23.89,;2.65,-24.66,;3.98,-23.88,;-.02,-26.2,;-1.36,-26.97,;-1.36,-28.5,;-.02,-29.28,;-.02,-30.82,;1.31,-28.5,;1.31,-26.96,;2.64,-26.19,)|
Cc1c(c(c2c(n1)C(=O)N(C2)CCOC)c3ccc(cc3Cl)Cl)CN
Cc1nc2C(=O)N(CCO)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(33.04,-6.63,;31.71,-7.41,;30.38,-6.64,;29.05,-7.42,;27.58,-6.94,;27.11,-5.47,;26.68,-8.18,;25.14,-8.19,;24.38,-9.52,;25.15,-10.85,;27.58,-9.43,;29.05,-8.96,;30.38,-9.73,;31.72,-8.96,;33.05,-9.72,;34.38,-8.95,;30.38,-11.26,;29.05,-12.03,;29.04,-13.57,;30.38,-14.34,;30.38,-15.88,;31.72,-13.56,;31.71,-12.03,;33.04,-11.25,)|
Cc1nc2C(=O)N(CC(O)=O)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(17.03,-6.22,;15.7,-6.99,;14.36,-6.23,;13.03,-7.01,;11.57,-6.53,;11.1,-5.06,;10.66,-7.77,;9.13,-7.77,;8.36,-9.11,;9.13,-10.44,;6.82,-9.11,;11.57,-9.02,;13.03,-8.54,;14.37,-9.32,;15.7,-8.54,;17.04,-9.31,;18.37,-8.54,;14.37,-10.85,;13.03,-11.62,;13.03,-13.16,;14.36,-13.93,;14.37,-15.47,;15.7,-13.15,;15.7,-11.62,;17.03,-10.84,)|
Cc1c(c(c2c(n1)C(=O)N(C2)CC(=O)OC)c3ccc(cc3Cl)Cl)CN
CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(7.32,4.34,;8.85,4.35,;9.75,3.1,;11.22,3.57,;11.22,5.11,;12.55,5.89,;13.88,5.12,;15.22,5.9,;13.89,3.57,;15.23,2.81,;16.56,3.58,;12.55,2.8,;12.56,1.27,;11.22,.5,;11.22,-1.04,;12.55,-1.81,;12.55,-3.35,;13.89,-1.03,;13.89,.5,;15.22,1.28,;9.76,5.59,;9.28,7.06,)|
Cc1nc2C(=O)N(CC(=O)NCc3cccnc3)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(14.01,-46.7,;12.68,-47.48,;11.34,-46.71,;10.02,-47.49,;8.55,-47.01,;8.08,-45.55,;7.65,-48.25,;6.11,-48.26,;5.34,-49.59,;6.12,-50.92,;3.8,-49.59,;3.04,-50.93,;1.5,-50.93,;.74,-52.26,;-.8,-52.27,;-1.58,-50.93,;-.81,-49.6,;.73,-49.59,;8.55,-49.5,;10.01,-49.03,;11.35,-49.8,;12.68,-49.03,;14.02,-49.79,;15.35,-49.02,;11.35,-51.33,;10.01,-52.1,;10.01,-53.64,;11.35,-54.41,;11.35,-55.95,;12.69,-53.64,;12.68,-52.1,;14.01,-51.33,)|
Cc1nc2C(=O)N(CC(=O)Nc3ccnn3C)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(39.71,-37.55,;38.38,-38.32,;37.04,-37.56,;35.71,-38.33,;34.25,-37.86,;33.78,-36.39,;33.34,-39.1,;31.81,-39.1,;31.04,-40.44,;31.81,-41.77,;29.5,-40.44,;28.73,-41.77,;27.21,-41.94,;26.89,-43.44,;28.22,-44.21,;29.37,-43.18,;30.87,-43.5,;34.25,-40.35,;35.71,-39.87,;37.05,-40.64,;38.38,-39.87,;39.72,-40.64,;41.05,-39.87,;37.05,-42.18,;35.71,-42.95,;35.71,-44.49,;37.04,-45.26,;37.05,-46.8,;38.38,-44.48,;38.38,-42.94,;39.71,-42.17,)|
Cc1nc2C(=O)N(CC(=O)N3CCOCC3)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(23.9,-37.72,;22.57,-38.49,;21.24,-37.73,;19.91,-38.51,;18.45,-38.03,;17.97,-36.56,;17.54,-39.27,;16.01,-39.27,;15.24,-40.61,;16.01,-41.94,;13.7,-40.61,;12.93,-39.28,;11.4,-39.28,;10.62,-40.61,;11.39,-41.94,;12.94,-41.95,;18.44,-40.52,;19.91,-40.04,;21.24,-40.82,;22.58,-40.04,;23.91,-40.81,;25.25,-40.04,;21.24,-42.35,;19.91,-43.12,;19.91,-44.66,;21.24,-45.43,;21.24,-46.97,;22.58,-44.65,;22.57,-43.12,;23.9,-42.34,)|
Cc1nc2C(=O)N(CC(=O)N3CCCC3)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(22.17,-39.13,;20.84,-39.9,;19.5,-39.14,;18.17,-39.91,;16.71,-39.44,;16.24,-37.97,;15.8,-40.68,;14.27,-40.68,;13.5,-42.02,;14.28,-43.35,;11.96,-42.02,;11.05,-40.78,;9.59,-41.26,;9.59,-42.8,;11.06,-43.27,;16.71,-41.93,;18.17,-41.45,;19.51,-42.22,;20.84,-41.45,;22.18,-42.22,;23.51,-41.45,;19.51,-43.76,;18.17,-44.53,;18.17,-46.07,;19.51,-46.84,;19.51,-48.38,;20.84,-46.06,;20.84,-44.52,;22.17,-43.75,)|
CN1CCN(CC1)C(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(-10,-42.49,;-8.46,-42.49,;-7.69,-41.16,;-6.16,-41.16,;-5.39,-42.49,;-6.15,-43.83,;-7.69,-43.83,;-3.85,-42.49,;-3.08,-43.82,;-3.08,-41.16,;-1.55,-41.15,;-.64,-42.4,;.82,-41.93,;.82,-40.39,;2.15,-39.61,;3.49,-40.38,;4.82,-39.6,;3.49,-41.93,;4.83,-42.69,;6.16,-41.92,;2.15,-42.7,;2.16,-44.23,;.82,-45,;.82,-46.54,;2.15,-47.31,;2.16,-48.85,;3.49,-46.53,;3.49,-45,;4.82,-44.22,;-.64,-39.91,;-1.11,-38.44,)|
Cc1nc2C(=O)N(CC(=O)N3CCN(CC3)S(C)(=O)=O)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(48.61,-29.07,;47.28,-29.84,;45.95,-29.08,;44.62,-29.86,;43.16,-29.38,;42.68,-27.91,;42.25,-30.62,;40.72,-30.62,;39.95,-31.96,;40.72,-33.29,;38.41,-31.96,;37.64,-30.63,;36.11,-30.63,;35.33,-31.96,;36.1,-33.29,;37.65,-33.3,;33.79,-31.95,;33.03,-30.62,;32.45,-32.72,;33.78,-33.49,;43.15,-31.87,;44.62,-31.4,;45.95,-32.17,;47.29,-31.39,;48.62,-32.16,;49.96,-31.39,;45.95,-33.7,;44.62,-34.47,;44.62,-36.01,;45.95,-36.78,;45.95,-38.32,;47.29,-36,;47.28,-34.47,;48.61,-33.69,)|
CC(=O)N1CCN(CC1)C(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(11.15,-31.36,;11.92,-32.69,;11.15,-34.03,;13.46,-32.7,;14.24,-31.37,;15.77,-31.37,;16.54,-32.7,;15.78,-34.04,;14.23,-34.03,;18.08,-32.7,;18.85,-34.03,;18.84,-31.36,;20.38,-31.36,;21.28,-32.61,;22.75,-32.13,;22.75,-30.6,;24.08,-29.82,;25.41,-30.58,;26.74,-29.81,;25.42,-32.13,;26.75,-32.9,;28.08,-32.13,;24.08,-32.91,;24.08,-34.44,;22.75,-35.21,;22.74,-36.75,;24.08,-37.52,;24.08,-39.06,;25.42,-36.74,;25.41,-35.21,;26.74,-34.43,;21.28,-30.12,;20.81,-28.65,)|
Cc1nc2C(=O)N(CC(=O)N3CCC(CC3)C(N)=O)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(6.41,-30.16,;5.08,-30.93,;3.75,-30.17,;2.42,-30.95,;.95,-30.47,;.48,-29,;.05,-31.71,;-1.49,-31.71,;-2.25,-33.05,;-1.48,-34.38,;-3.79,-33.05,;-4.56,-31.72,;-6.09,-31.72,;-6.87,-33.05,;-6.1,-34.38,;-4.56,-34.39,;-8.41,-33.04,;-9.18,-31.71,;-9.18,-34.38,;.95,-32.96,;2.41,-32.48,;3.75,-33.26,;5.09,-32.48,;6.42,-33.25,;7.75,-32.48,;3.75,-34.79,;2.41,-35.56,;2.41,-37.1,;3.75,-37.87,;3.75,-39.41,;5.09,-37.09,;5.08,-35.56,;6.41,-34.78,)|
CCN(CC)C(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(39.88,-17.76,;39.11,-19.1,;39.89,-20.43,;39.12,-21.76,;39.89,-23.09,;41.43,-20.43,;42.2,-21.76,;42.19,-19.09,;43.73,-19.09,;44.63,-20.33,;46.09,-19.86,;46.1,-18.32,;47.43,-17.55,;48.76,-18.31,;50.09,-17.53,;48.77,-19.86,;50.1,-20.63,;51.43,-19.86,;47.43,-20.63,;47.43,-22.17,;46.09,-22.94,;46.09,-24.47,;47.43,-25.25,;47.43,-26.79,;48.77,-24.47,;48.76,-22.93,;50.09,-22.16,;44.63,-17.84,;44.16,-16.38,)|
CN(C)C(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(23.14,-19.79,;23.91,-21.12,;23.14,-22.45,;25.45,-21.12,;26.22,-22.45,;26.22,-19.78,;27.75,-19.78,;28.65,-21.03,;30.12,-20.55,;30.12,-19.01,;31.45,-18.24,;32.78,-19,;34.12,-18.23,;32.79,-20.55,;34.13,-21.32,;35.46,-20.55,;31.45,-21.32,;31.46,-22.86,;30.12,-23.63,;30.12,-25.17,;31.45,-25.94,;31.45,-27.48,;32.79,-25.16,;32.79,-23.62,;34.12,-22.85,;28.66,-18.54,;28.18,-17.07,)|
CNC(=O)CN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(7.18,-19.79,;7.95,-21.12,;9.49,-21.12,;10.26,-22.45,;10.26,-19.78,;11.79,-19.78,;12.69,-21.03,;14.16,-20.55,;14.16,-19.01,;15.49,-18.24,;16.82,-19,;18.16,-18.23,;16.83,-20.55,;18.17,-21.32,;19.5,-20.55,;15.49,-21.32,;15.5,-22.86,;14.16,-23.63,;14.16,-25.17,;15.49,-25.94,;15.49,-27.48,;16.83,-25.16,;16.83,-23.62,;18.16,-22.85,;12.7,-18.54,;12.22,-17.07,)|
Cc1nc2C(=O)N(CC(N)=O)Cc2c(c1CN)-c1ccc(Cl)cc1Cl |(2.55,-18.29,;1.21,-19.06,;-.12,-18.3,;-1.45,-19.08,;-2.91,-18.6,;-3.39,-17.13,;-3.82,-19.84,;-5.35,-19.84,;-6.12,-21.18,;-7.66,-21.18,;-5.35,-22.51,;-2.92,-21.09,;-1.45,-20.62,;-.12,-21.39,;1.22,-20.61,;2.56,-21.38,;3.89,-20.61,;-.11,-22.92,;-1.45,-23.69,;-1.45,-25.23,;-.12,-26,;-.12,-27.54,;1.22,-25.22,;1.22,-23.69,;2.55,-22.91,)|
Cc1nc2C(=O)NCc2c(c1CN)-c1ccc(Cl)cc1Cl |(2.06,4.78,;.72,4,;-.61,4.77,;-1.94,3.99,;-3.4,4.47,;-3.88,5.94,;-4.31,3.23,;-3.41,1.98,;-1.94,2.45,;-.61,1.68,;.73,2.45,;2.07,1.69,;3.4,2.46,;-.6,.15,;-1.94,-.62,;-1.94,-2.16,;-.61,-2.93,;-.61,-4.47,;.73,-2.15,;.73,-.62,;2.06,.16,)|
Cc1nc2C(=O)N(Cc2c(c1CN)-c1ccc(Cl)cc1Cl)c1ccc(cc1)C#N |(4.98,-44.66,;3.65,-45.43,;2.31,-44.67,;.99,-45.44,;-.48,-44.97,;-.95,-43.5,;-1.38,-46.21,;-.48,-47.46,;.98,-46.98,;2.32,-47.75,;3.65,-46.98,;4.99,-47.75,;6.32,-46.98,;2.32,-49.29,;.98,-50.06,;.98,-51.6,;2.32,-52.37,;2.32,-53.91,;3.66,-51.59,;3.65,-50.05,;4.98,-49.28,;-2.92,-46.21,;-3.68,-44.87,;-5.22,-44.87,;-6,-46.2,;-5.22,-47.54,;-3.68,-47.54,;-7.54,-46.2,;-9.09,-46.21,)|
Cc1nc2C(=O)N(Cc2c(c1CN)-c1ccc(Cl)cc1Cl)c1ccc(F)cc1 |(54.92,-34.84,;53.58,-35.61,;52.25,-34.85,;50.92,-35.62,;49.46,-35.15,;48.98,-33.68,;48.55,-36.39,;49.45,-37.64,;50.92,-37.16,;52.25,-37.93,;53.59,-37.16,;54.93,-37.93,;56.26,-37.16,;52.25,-39.47,;50.92,-40.24,;50.92,-41.78,;52.25,-42.55,;52.25,-44.09,;53.59,-41.77,;53.59,-40.24,;54.92,-39.46,;47.02,-36.39,;46.25,-35.05,;44.71,-35.05,;43.94,-36.39,;42.4,-36.39,;44.71,-37.72,;46.25,-37.72,)|
Cc1nc2C(=O)N(Cc2c(c1CN)-c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 |(37.77,-35.12,;36.44,-35.9,;35.11,-35.13,;33.78,-35.91,;32.31,-35.43,;31.84,-33.96,;31.41,-36.67,;32.31,-37.92,;33.77,-37.45,;35.11,-38.22,;36.45,-37.45,;37.78,-38.21,;39.11,-37.44,;35.11,-39.75,;33.77,-40.52,;33.77,-42.06,;35.11,-42.83,;35.11,-44.37,;36.45,-42.05,;36.44,-40.52,;37.77,-39.74,;29.87,-36.68,;29.11,-35.34,;27.57,-35.34,;26.79,-36.67,;25.25,-36.67,;27.57,-38.01,;29.11,-38,)|
Cc1ccc(cc1)N1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(-9.47,-34.86,;-7.93,-34.86,;-7.16,-33.52,;-5.62,-33.53,;-4.85,-34.86,;-5.62,-36.19,;-7.16,-36.2,;-3.32,-34.86,;-2.42,-36.11,;-.95,-35.63,;-.95,-34.1,;.38,-33.32,;1.71,-34.08,;3.04,-33.31,;1.72,-35.63,;3.05,-36.4,;4.39,-35.63,;.38,-36.41,;.38,-37.94,;-.95,-38.71,;-.95,-40.25,;.38,-41.02,;.38,-42.56,;1.72,-40.24,;1.71,-38.71,;3.04,-37.93,;-2.41,-33.62,;-2.89,-32.15,)|
Cc1c(c(c2c(n1)C(=O)N(C2)c3ccccc3OC)c4ccc(cc4Cl)Cl)CN
COc1ccc(cc1)N1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(30.85,3.93,;31.62,2.59,;33.16,2.59,;33.93,3.93,;35.47,3.92,;36.24,2.59,;35.47,1.26,;33.93,1.25,;37.77,2.59,;38.67,1.34,;40.14,1.82,;40.14,3.35,;41.47,4.13,;42.8,3.37,;44.13,4.14,;42.81,1.82,;44.14,1.05,;45.48,1.82,;41.47,1.04,;41.47,-.49,;40.14,-1.26,;40.14,-2.8,;41.47,-3.57,;41.47,-5.11,;42.81,-2.79,;42.8,-1.26,;44.13,-.48,;38.68,3.83,;38.2,5.3,)|
Cc1nc2C(=O)N(Cc2c(c1CN)-c1ccc(Cl)cc1Cl)c1ccccc1 |(26.42,4.62,;25.08,3.85,;23.75,4.61,;22.42,3.84,;20.96,4.31,;20.48,5.78,;20.05,3.07,;20.95,1.82,;22.42,2.3,;23.75,1.53,;25.09,2.3,;26.43,1.53,;27.76,2.3,;23.76,-.01,;22.42,-.78,;22.42,-2.32,;23.75,-3.09,;23.75,-4.63,;25.09,-2.31,;25.09,-.77,;26.42,-0,;18.52,3.07,;17.75,4.41,;16.21,4.41,;15.44,3.08,;16.22,1.74,;17.75,1.74,)|
COc1ccc(Br)cc1-c1csc(Nc2ccc(cc2)-n2cnc(C)c2)n1
COc1ccc(Br)cc1-c1csc(Nc2ccc(c(OC)c2)-n2cnc(C)c2)n1
CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccccc1C |r|
CC(=O)Nc1cccc2n(CC(O)=O)c(C)c(Sc3ccc(Cl)cc3)c12
C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(=O)n(C)n1 |r|
C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccc(F)cc1 |r|
COc1ccc(CC(O)=O)cc1-c1ccc(cc1CN1[C@@H](C)[C@H](OC1=O)c1ccccc1)C(F)(F)F |r|
COC(=O)N(Cc1ccccc1)Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F
CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)OCc1ccccc1
CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)OC
CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)OCc1ccc(Cl)cc1
CC(C)(C)c1ccccc1Oc1ccc(cc1NC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1cccc(c1)C(O)=O
COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCCc23)c(NC(=O)Nc2cccc(C)c2)c1
COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCCc23)c(NC(=O)Nc2ccccc2C)c1
COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCCc23)c(NC(=O)Nc2ccccc2Cl)c1
CN(C)CCN1C(=O)CCc2cc(ccc12)N=C(N)c1cccs1 |w:16.17|
CN(C)CCN1CCCc2cc(ccc12)N=C(N)c1cccs1 |w:15.16|
CN1CCC[C@H]1CCN1CCCc2cc(ccc12)N=C(N)c1cccs1 |r,w:18.20|
CN1CCC[C@@H]1CCN1CCCc2cc(ccc12)N=C(N)c1cccs1 |r,w:18.20|
NC(=Nc1ccc2N(CCCc2c1)C1CCNCC1)c1cccs1 |w:2.2|
OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
OC(=O)CCC(=O)N1CCc2cc(ccc12)-c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
O=C(Nc1ccc(cc1)N1S(=O)(=O)c2ccccc2S1(=O)=O)c1ccccn1
Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl |r,wU:3.3,5.4,c:6,(-.76,-35.66,;.38,-36.71,;1.89,-36.4,;2.67,-35.09,;2.65,-36.63,;4.17,-37.76,;4.95,-36.44,;4.2,-35.1,;2.64,-37.74,;1.61,-38.88,;1.92,-40.39,;.21,-38.24,;-1.11,-39.04,;-2.45,-38.29,;-3.77,-39.09,;-3.75,-40.63,;-5.07,-41.42,;-6.42,-40.67,;-6.44,-39.13,;-7.74,-41.46,;-7.71,-43,;-9.03,-43.8,;-10.38,-43.05,;-10.4,-41.51,;-9.08,-40.72,;-2.4,-41.38,;-1.08,-40.59,;.27,-41.33,)|
Clc1cc(NC(=O)c2ccccn2)ccc1N1C(=O)CC2(CCCCC2)C1=O
Oc1cc(c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl)-c1ccccc1 |(3.08,3.07,;4.54,3.55,;5.02,5.01,;6.56,5.01,;7.04,3.55,;8.5,3.07,;5.79,2.64,;5.79,1.1,;7.12,.33,;7.12,-1.21,;5.79,-1.98,;5.79,-3.52,;7.12,-4.29,;8.46,-3.52,;7.12,-5.83,;8.46,-6.6,;8.46,-8.14,;7.12,-8.91,;5.79,-8.14,;5.79,-6.6,;4.46,-1.21,;4.46,.33,;3.12,1.1,;7.47,6.26,;9,6.1,;9.9,7.34,;9.28,8.75,;7.74,8.91,;6.84,7.66,)|
COc1cc(NC(=O)c2ccccn2)ccc1Cl
CNC(=O)c1ccc2cc(ccc2c1)[C@@](O)(C(C)C)c1cnc[nH]1 |r|
CNC(=O)c1ccc2cc(ccc2c1)C(O)(C(C)C)c1cnc[nH]1
CNC(=O)c1ccc2cc(ccc2c1)[C@@]3(CCn4c3cnc4)O
CNC(=O)c1ccc2cc(ccc2c1)C1(O)c2cncn2CC1(C)C
CNC(=O)c1ccc2cc(ccc2c1)C(C)(O)c1cncn1C
NC(=O)c1ccc2cc(ccc2c1)C1(O)CCn2cncc12
CCNC(=O)c1ccc2cc(ccc2c1)C1(O)CCn2cncc12
OC1(CCn2cncc12)c1ccc2cc(ccc2c1)C(=O)NC1CC1
CC(C)NC(=O)c1ccc2cc(ccc2c1)C1(O)CCn2cncc12
CNC(=O)c1ccc2cc(ccc2c1)[C@@]3(CCn4c3cnc4)O
C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)c1 |r|
CNc1c2c(c3cc([nH]c3n1)c4cccc(n4)CNC(=O)COC)n(cn2)C
CCCCC[C@@H](Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)c1cc2cc(Cl)ccc2n1-c1cccc(c1)C(F)(F)F |r|
CCOc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1
Cc1ccc(COc2ccc3n(Cc4ccc(cc4)-c4ccc(C)cn4)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3c2)nc1
Cc1ccc(COc2ccc3n(Cc4ccc(cc4)-c4ccc(F)cn4)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3c2)nc1
COc1cnc(nc1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccccc2)cc(OCCOC)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3ccccc23)cc(OCCOC)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OC(=O)c3ccccc23)cc(OCCOC)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCCc3ccccc23)cc(OCCOC)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OC=Cc3ccccc23)cc(OCCOC)c1 |r,c:24|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OC(=O)Cc3ccccc23)cc(OCCOC)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)cc(OCCOC)c1 |r|
Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3ccccc3Cl)C3CC3)c2cc1F |r|
Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)c2cc1F |r|
Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3ccc(Cl)cc3Cl)C3CC3)c2cc1F |r|
Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3cc(Cl)ccc3Cl)C3CC3)c2cc1F |r|
Cc1cccc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1C |r|
Cc1c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)cccc1C(F)(F)F |r|
Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3cccc(c3Cl)C(F)(F)F)C3CC3)c2cc1F |r|
COCCCc1cc(C)c(C)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r|
Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3cccc4ccccc34)C3CC3)c2cc1F |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c2ccccc2c1 |r|
COCCCc1cccc2cccc(CN(C3CC3)C(=O)[C@H]3CNCC[C@@]33OCc4cc(F)c(F)cc34)c12 |r|
Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3nccc4ccccc34)C3CC3)c2cc1F |r|
Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3ccnc4ccccc34)C3CC3)c2cc1F |r|
Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3cccc4cccnc34)C3CC3)c2cc1F |r|
Fc1cc2C(=O)O[C@@]3(CCNC[C@@H]3C(=O)N(Cc3cccc(c3Cl)C(F)(F)F)C3CC3)c2cc1F |r|
COCCCc1cc(CCCN2CCOCC2)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r|
CCN(CC)CCCc1cc(CCCOC)cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1Cl |r|
COCCCc1cc(CCCCNS(C)(=O)=O)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r|
COCCCc1cc(CCCNS(C)(=O)=O)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r|
COCCCc1cc(CCCN2CCS(=O)(=O)CC2)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r|
COCCCc1cc(CCC(=O)N2CCOCC2)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r|
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)cc(OCCOC)c1 |r|
C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1 |r|
C[C@H]1N(C)C(=O)[C@@H](NCCOc2cc(F)ccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC1=O)C1CC1 |r|
CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C
Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N
Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccc4)Cc3c2c1=O
CC(C)(C)CC(N1CCC(CC1)C(F)(F)F)c1ccc(CC(O)=O)cc1-c1ccc(cc1)C(F)(F)F
COc1ccc(cc1OC)-c1sc(\N=C\c2ccc(cc2)N(C)CCC#N)c(C#N)c1C
COc1ccc(cc1OC)-c1sc(\N=C\c2ccc(cc2)-c2ccccc2)c(C#N)c1C
NCCN(C(=O)c1ccc(Cl)cc1Cl)c1ccc(F)cc1
CCN(C(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1
NCCN(C(=O)c1ccc(Cl)cc1Cl)c1ccc(OCc2ccc(Cl)cc2)cc1
CC(C)c1ccc(COc2ccc(cc2)N(CCN)C(=O)c2ccc(Cl)cc2Cl)cc1
CC(C)c1ccc(COc2ccc(cc2)N(CCN)C(=O)c2cccnc2C(F)(F)F)cc1
Cc1cc(C)cc(COc2ccc(cc2)N(CCN)C(=O)c2ccc(Cl)cc2Cl)c1
NCCN(C(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1
NCCN(C(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(OCc2ccc(Cl)cc2)cc1
OC(=O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12 |(-2.97,1.02,;-1.83,-.01,;-2.15,-1.52,;-.36,.46,;-.04,1.97,;1.42,2.45,;1.9,3.91,;3.44,3.91,;3.91,2.45,;5.38,1.97,;2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;3.44,-5.95,;1.9,-5.95,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,)|
C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)CC1C |r,t:18|
C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1n[nH]c(=O)cc1C |r|
C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)CC1 |r,t:18|
C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)C(C)(C)C1 |r,t:18|
CS(=O)(=O)CCCOc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
CN1CCC[C@H](C1)c1nc2ccccc2n1Cc1ccc(F)cc1 |r|
Cc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCO2)cc1 |r|
Fc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCO2)cc1 |r|
Cc1ccc(Cn2c(nc3ccccc23)C2CNCCO2)cc1C
Cc1ccc(Cn2c(nc3ccccc23)C2CNCCS2)cc1
Fc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1 |r|
COc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1 |r|
Fc1cccc(c1)S(=O)(=O)c1ccc2c3CCNC4(CCCOC4)c3oc2c1
COCCCS(=O)(=O)c1ccc(cc1)-c1ccc(CCN2CCC[C@H]2C)cc1 |r|
CCOC(=O)c1cc2cc(ccc2[nH]1)-c1cc(nn1C)C(=O)NCc1ccc(cc1)C(O)=O
CCCCCc1ccc(NC(=O)COc2cc(C)nc3ccc(OC)cc23)cc1
C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F)c1nc2ncccc2c(=O)n1-c1ccc(Cl)cc1 |r|
C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc1ccc(c(F)c1)C(F)(F)F)c1nc2ncccc2c(=O)n1-c1ccc(Cl)cc1 |r|
COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2cccc(c2)[C@@]2(C)OC(O)=NC2=O)c1=O |r,wD:26.30,c:34,(3.67,-28.22,;2.34,-27.43,;1,-28.18,;.98,-29.73,;-.38,-30.48,;-1.7,-29.68,;-3.16,-30.12,;-4.05,-28.86,;-3.12,-27.63,;-1.67,-28.13,;-.32,-27.39,;-3.94,-31.44,;-5.41,-31.91,;-6.74,-31.13,;-8.08,-31.89,;-8.1,-33.43,;-6.77,-34.22,;-5.42,-33.45,;-3.96,-33.94,;-3.95,-35.48,;-2.61,-36.24,;-2.62,-37.78,;-1.28,-38.54,;.05,-37.77,;.04,-36.22,;-1.3,-35.46,;1.36,-35.44,;1.35,-36.98,;1.37,-33.9,;2.84,-33.43,;3.32,-31.97,;3.73,-34.68,;2.82,-35.92,;3.29,-37.39,;-3.04,-32.7,;-1.5,-32.71,)|
CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3|
Cc1c(F)cc(cc1-c1cc2nnc(-c3c(F)cccc3Cl)n2n(C)c1=O)C(=O)NC1CC1 |(-5.99,4.05,;-4.45,4.05,;-3.68,5.37,;-4.44,6.71,;-2.13,5.36,;-1.37,4.02,;-2.15,2.7,;-3.69,2.71,;-4.47,1.39,;-6.02,1.4,;-6.8,.07,;-8.31,-.24,;-8.48,-1.77,;-7.08,-2.41,;-7.09,-3.95,;-5.76,-4.72,;-4.42,-3.95,;-5.76,-6.27,;-7.1,-7.03,;-8.43,-6.25,;-8.42,-4.71,;-9.75,-3.93,;-6.03,-1.28,;-4.49,-1.29,;-3.74,-2.63,;-3.71,.04,;-2.17,.03,;.17,4.01,;.95,5.33,;.93,2.67,;2.47,2.65,;3.79,1.86,;3.8,3.4,)|
CCn1n2c(nnc2cc(-c2cc(ccc2C)C(=O)NC2CC2)c1=O)-c1c(F)cccc1Cl |(19.78,-19.74,;18.24,-19.73,;17.49,-18.38,;15.95,-18.37,;14.9,-19.5,;13.5,-18.86,;13.67,-17.33,;15.18,-17.03,;15.96,-15.69,;17.51,-15.71,;18.29,-14.38,;19.83,-14.4,;20.61,-13.07,;19.85,-11.73,;18.3,-11.72,;17.53,-13.05,;15.99,-13.04,;22.15,-13.09,;22.93,-11.76,;22.91,-14.43,;24.45,-14.44,;25.77,-15.23,;25.78,-13.69,;18.27,-17.05,;19.81,-17.07,;14.89,-21.04,;16.22,-21.82,;17.56,-21.05,;16.22,-23.37,;14.88,-24.13,;13.55,-23.35,;13.56,-21.8,;12.23,-21.03,)|
CCn1n2c(nnc2cc(-c2cc(cc(F)c2C)C(=O)NC2CC2)c1=O)-c1c(F)cccc1Cl |(-1.33,-50.07,;-2.87,-50.05,;-3.63,-48.71,;-5.17,-48.7,;-6.22,-49.83,;-7.62,-49.19,;-7.44,-47.66,;-5.93,-47.35,;-5.16,-46.02,;-3.61,-46.03,;-2.82,-44.71,;-1.29,-44.72,;-.51,-43.4,;-1.27,-42.06,;-2.81,-42.05,;-3.58,-40.71,;-3.59,-43.37,;-5.13,-43.37,;1.03,-43.41,;1.81,-42.09,;1.79,-44.75,;3.33,-44.77,;4.65,-45.56,;4.67,-44.02,;-2.84,-47.38,;-1.3,-47.39,;-6.22,-51.37,;-4.89,-52.14,;-3.56,-51.37,;-4.9,-53.69,;-6.24,-54.45,;-7.57,-53.67,;-7.56,-52.13,;-8.89,-51.35,)|
COc1ccc(cn1)[C@]1(O)CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:12.16,wD:18.22,8.9,(-10.53,-32.06,;-9.74,-33.38,;-8.2,-33.35,;-7.45,-32,;-5.92,-31.97,;-5.12,-33.28,;-5.86,-34.64,;-7.4,-34.67,;-3.58,-33.25,;-4.36,-31.9,;-2.77,-34.56,;-1.24,-34.53,;-.49,-33.18,;-1.29,-31.87,;-2.83,-31.89,;1.05,-33.15,;1.97,-34.38,;3.43,-33.87,;3.4,-32.33,;1.92,-31.89,;4.72,-31.55,;6.06,-32.3,;6.08,-33.84,;7.39,-31.51,;8.73,-32.27,;10.05,-31.48,;10.04,-29.94,;11.4,-32.23,;11.41,-33.77,;12.75,-34.53,;14.08,-33.74,;14.05,-32.19,;12.71,-31.45,;15.37,-31.4,;16.72,-32.15,;15.35,-29.86,;16.7,-30.62,)|
[#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#7]-2-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-2)c(C#N)c2ncn(-[#6]-c3nccc4ccccc34)c(=O)c12 |r|
Clc1ccc(cc1)[C@H](OC1CN(C1)C(=O)N1CCCCC1)c1cccnc1Cl |r|
COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r|
COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3cncn3C)c2c1
COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3ncco3)c2c1
COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3ccnc(F)c3)c2c1
COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3ccccn3)c2c1
COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3ccncc3)c2c1
Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3cnc(C)nc3)c12
Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3cncn3C)c12
Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3ncco3)c12
Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3ccnc(F)c3)c12
Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3ccccn3)c12
Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3cccnc3)c12
Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3ccncc3)c12
COc1cc(C)c2nc3[nH]nc(C)c3c(C(F)c3ccncc3)c2c1
COc1cc(C)c2nc3[nH]nc(C)c3c(c2c1)C(C)(O)c1ccncc1
COc1ccc(cc1)C(C#N)c1c2c(C)n[nH]c2nc2c(C)cc(OC)cc12
COc1cc(C)c2nc3[nH]nc(C)c3c(C(C#N)c3ccccc3)c2c1
COc1ccc(cc1)C(O)c1c2c(C)n[nH]c2nc2c(C)cc(OC)cc12
COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3cncs3)c2c1
COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3cccnc3)c2c1
Clc1ccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)cc1
Brc1ccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)cc1
Clc1ccccc1NC(=O)Nc1ccc(cc1)-c1ccnc2nc[nH]c12
Fc1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)c1
Clc1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)c1
Brc1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)c1
O=C(Nc1ccccc1)Nc1ccc(cc1)-c1ccnc2nc[nH]c12
Cc1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)c1
[O-][N+](=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)c1
COC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)c1
COc1ccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)cc1
O=C(Nc1ccc(cc1)-c1ccccc1)Nc1ccc(cc1)-c1ccnc2nc[nH]c12
CCOC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)c1
CNC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)c1
CCNC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)c1
CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)c1
CN(C)C(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)c1
CCN(CC)C(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)c1
O=C(Nc1ccc(cc1)-c1ccnc2nc[nH]c12)Nc1cccc(c1)C(=O)Nc1ccccc1
O=C(Nc1ccc(cc1)-c1ccnc2nc[nH]c12)Nc1cccc(c1)C(=O)NC1CCCC1
O=C(Nc1ccc(cc1)-c1ccnc2nc[nH]c12)Nc1cccc(c1)C(=O)N1CCCCC1
O=C(Nc1ccc(cc1)-c1ccnc2nc[nH]c12)Nc1cccc(c1)C(=O)N1CCOCC1
CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]ccc23)c1
CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ncnc3n(C)ccc23)c1
CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]cc(C)c23)c1
CCc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4cccc(c4)C(=O)NC(C)C)cc3)c12
CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]cc(Cl)c23)c1
CCn1c2c(ncnc2[nH]c1=O)-c1ccc(NC(=O)Nc2cccc(c2)C(=O)NC(C)C)cc1
CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccncc2)c1
O=C(Nc1ccc(cc1)-c1ccc(cc1)C#N)Nc1ccc(cc1)-c1ccnc2nc[nH]c12
Oc1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)cc1
Nc1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)cc1
COc1cccc(c1)-c1ccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)cc1
O=C(Nc1ccc(cc1)-c1ccnc2nc[nH]c12)Nc1ccc(cc1)-c1cccc2ccccc12
O=C(Nc1ccc(cc1)-c1cccnc1)Nc1ccc(cc1)-c1ccnc2nc[nH]c12
O=C(Nc1ccc(cc1)-c1ccncc1)Nc1ccc(cc1)-c1ccnc2nc[nH]c12
Fc1ccc(CNC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)cc1
Brc1ccc(CNC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)cc1
CC(C)N(C(C)C)C(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)c1
CCCOc1sc(C(=O)N2CCC(CC2)c2cccc(CN)c2)c(C)c1Br
CCCOc1sc(C(=O)N2[C@H]3CC[C@H]2CC(C3)c2cc(CN)ccc2F)c(C)c1Br |r,TLB:7:9:15.16.14:11.12|
CCN(C1CCN(CC[C@H](C2CCN(CC2)S(C)(=O)=O)c2cc(F)cc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O |r|
COc1cc(NCC2CCNCC2)nc2n(nnc12)-c1cccc(OC(F)(F)F)c1
CCS(=O)(=O)n1c2CCN(Cc2c2cc(ccc12)C(=O)N1CCC(C)CC1)C1CCOCC1
O=c1ccc(n[nH]1)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
CC1(C)CC(=NNC1=O)c1ccc(OC2CCN(CC2)C2CCC2)cc1 |c:4|
C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCOCC1 |r|
C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cnn(-c2ccccn2)c(=O)c1 |r|
CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1ccco1 |w:16.18,c:4|
Fc1ccc(CCN2CCN(CC2)C(=O)c2cccn3ccnc23)c(F)c1
FC(F)(F)c1ccccc1-c1ccc2nc(C=CC3CCCCC3)[nH]c2c1 |w:16.16|
NC(=O)CS(=O)Cc1ccccc1-c1ccc(Cl)cc1
C\C(CCC(O)C(C)(C)O)=C/COc1c(CCC(O)=O)c(O)cc2occc12
CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O
C1N=C(Nc2cc(ncn2)-n2ccnc2)O[C@]11CN2CCC1CC2 |r,wD:16.18,t:1,TLB:0:16:19.20:23.22,THB:15:16:19.20:23.22,(31.2,-13.57,;31.65,-12.09,;30.38,-11.22,;30.34,-9.66,;31.67,-8.85,;31.64,-7.31,;32.95,-6.51,;34.32,-7.25,;34.35,-8.8,;33.03,-9.6,;32.91,-4.97,;31.64,-4.11,;32.08,-2.63,;33.62,-2.59,;34.13,-4.04,;29.15,-12.15,;29.66,-13.6,;30.52,-14.71,;28.75,-15.67,;28.49,-16.79,;27.69,-15.62,;28.18,-14.23,;26.95,-13.14,;27.24,-14.35,)|
OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 |r,wU:6.5,wD:9.9,(-11.29,-9.03,;-9.96,-9.8,;-9.96,-11.34,;-8.62,-9.03,;-7.29,-9.8,;-5.96,-9.03,;-4.62,-9.8,;-3.29,-9.03,;-1.96,-9.8,;-1.96,-11.34,;-.62,-12.11,;.71,-11.34,;2.04,-12.11,;2.04,-13.65,;3.38,-11.34,;3.38,-9.8,;2.04,-9.03,;2.04,-7.49,;3.38,-6.72,;4.71,-7.49,;4.71,-9.03,;4.71,-12.11,;6.05,-11.34,;7.38,-12.11,;7.38,-13.65,;8.71,-14.42,;6.05,-14.42,;4.71,-13.65,;-3.29,-12.11,;-4.62,-11.34,)|
OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccc(F)c2)CC1 |r,wU:6.5,wD:9.9,(14.03,-33.02,;15.36,-32.25,;15.36,-30.71,;16.69,-33.02,;16.69,-34.56,;18.03,-35.33,;19.36,-34.56,;19.36,-33.02,;20.7,-32.25,;22.03,-33.02,;23.36,-32.25,;24.7,-33.02,;26.03,-32.25,;26.03,-30.71,;27.36,-33.02,;27.36,-34.56,;28.7,-35.33,;28.7,-36.87,;27.36,-37.64,;26.03,-36.87,;26.03,-35.33,;28.7,-32.25,;30.03,-33.02,;31.37,-32.25,;31.37,-30.71,;30.03,-29.94,;30.03,-28.4,;28.7,-30.71,;22.03,-34.56,;20.7,-35.33,)|
Cc1[nH]c(C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1NC(=O)[C@H]1CCCN1
C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12 |r|
Fc1ccc2c(-c3ccc(Cl)cc3)c(cnc2c1)S(=O)(=O)c1cccc(c1)C#N
COc1ccc2n(cc(CN3CCN(C)CC3)c2c1)S(=O)(=O)c1ccccc1Br
CN1CCN(Cc2cn(c3ccccc23)S(=O)(=O)c2ccccc2)CC1
CC(C)c1ccc(cc1)S(=O)(=O)n1cc(CN2CCN(C)CC2)c2cc(F)ccc12
COc1ccc2n(cc(CN3CCN(C)CC3)c2c1)S(=O)(=O)c1ccc(cc1)C(C)C
COc1cccc2n(cc(CN3CCN(C)CC3)c12)S(=O)(=O)c1ccc(cc1)C(C)C
CN1CCN(Cc2cn(c3ccccc23)S(=O)(=O)c2ccc(F)cc2)CC1
COc1ccc2n(cc(CN3CCCN(C)CC3)c2c1)S(=O)(=O)c1ccc(cc1)C(C)C
COc1ccc2n(cc(CN3CCN(C)CC3)c2c1)S(=O)(=O)c1ccc(F)cc1
COc1ccc(C(=O)\C=C\c2cccnc2)c(OC)c1
Clc1cccc(c1)C(=O)\C=C\c1cccnc1
O=C(\C=C\c1cccnc1)c1ccc2ccccc2c1
COc1ccc2cc(ccc2c1)C(=O)\C=C\c1cccnc1
O=C(\C=C\c1cccnc1)c1ccc2ccc3ccccc3c2c1
O=C(\C=C\c1ccc2OCOc2c1)c1cccnc1
COc1cccc(\C=C\C(=O)c2cccnc2)c1
COc1ccc(\C=C\C(=O)c2cccnc2)cc1OC
COc1ccc(\C=C\C(=O)c2cccnc2)c(OC)c1OC
Clc1ccc(\C=C\C(=O)c2cccnc2)cc1Cl
O=C(\C=C\c1ccccc1)c1cccnc1
O=C(\C=C\c1ccc2ccccc2c1)c1cccnc1
COc1ccccc1\C=C\C(=O)c1cccnc1
O=C(\C=C\c1cccnc1)c1cccc2ccccc12
Brc1cccc(c1)C(=O)\C=C\c1cccnc1
COc1nc(ccc1-n1cnc(C)c1)C1=NOC[C@@H](N1)c1cc2ccccc2o1 |r,t:16|
COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCN(CC3)C(=O)c3ccccc3)c12
NCC(NC(=O)c1ccc([nH]1)-c1cc(F)c(Cl)c(F)c1)c1ncc(CO)s1
Cc1nc(sc1CO)C(NC(=O)c1ccc([nH]1)-c1ccc(Cl)cc1)C1CCCCN1
Cc1ccc(cc1F)-c1ccc([nH]1)C(=O)NC(CN)c1ncc(CO)s1
N[C@H]1CC[C@@](CCOc2cc(F)c(cc2Cl)S(=O)(=O)Nc2ncns2)(CC1)c1ccccc1 |r,wU:4.4,1.0,(70.59,-20.09,;70.64,-18.56,;69.33,-17.74,;69.38,-16.21,;70.73,-15.49,;71.51,-14.16,;73.05,-14.17,;73.81,-15.51,;75.35,-15.52,;76.11,-14.19,;77.65,-14.2,;78.42,-12.87,;78.42,-15.54,;77.64,-16.87,;76.1,-16.86,;75.32,-18.18,;79.96,-15.54,;80.37,-14.05,;81.45,-15.15,;80.72,-16.88,;82.26,-16.88,;83.17,-15.64,;84.63,-16.12,;84.62,-17.66,;83.16,-18.13,;72.05,-16.29,;72,-17.83,;69.63,-14.39,;70.04,-12.89,;68.95,-11.79,;67.44,-12.19,;67.04,-13.7,;68.14,-14.79,)|
Fc1cc(c(F)cc1OCC[C@@]1(CC[C@@H](CC1)NC1CC1)c1ccccc1)S(=O)(=O)Nc1ncns1 |r,wU:14.18,11.11,(31.13,-18.84,;31.91,-17.51,;33.45,-17.52,;34.23,-16.19,;33.46,-14.85,;34.23,-13.52,;31.92,-14.85,;31.16,-16.17,;29.62,-16.16,;28.85,-14.82,;27.31,-14.82,;26.54,-16.15,;25.18,-16.86,;25.14,-18.4,;26.44,-19.21,;27.8,-18.49,;27.85,-16.94,;26.39,-20.75,;25.04,-21.47,;23.52,-21.43,;24.24,-22.77,;25.44,-15.04,;23.94,-15.45,;22.84,-14.35,;23.24,-12.84,;24.75,-12.44,;25.85,-13.54,;35.77,-16.19,;36.18,-14.7,;37.26,-15.81,;36.53,-17.53,;38.07,-17.54,;38.98,-16.3,;40.44,-16.78,;40.44,-18.32,;38.97,-18.79,)|
Fc1cc(NCCC2CNC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCC2(CN3CCCC3)CC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
C[C@]1(CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)CC[C@H](N)CC1 |r,wU:24.26,wD:1.1,(76.43,-36.87,;77.53,-37.98,;78.31,-36.65,;79.85,-36.65,;80.61,-37.99,;82.15,-38,;82.91,-36.68,;84.45,-36.68,;85.22,-35.35,;85.22,-38.02,;84.44,-39.35,;82.91,-39.34,;82.12,-40.67,;86.76,-38.02,;87.17,-36.53,;88.26,-37.64,;87.53,-39.36,;89.07,-39.37,;89.98,-38.13,;91.44,-38.61,;91.43,-40.15,;89.97,-40.62,;76.18,-38.69,;76.13,-40.23,;77.44,-41.04,;77.38,-42.58,;78.8,-40.32,;78.85,-38.77,)|
N[C@H]1CC[C@](CCNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)(CC1)c1ccccc1 |r,wU:1.0,wD:4.4,(42.57,-44.7,;42.62,-43.17,;41.32,-42.35,;41.37,-40.82,;42.72,-40.1,;43.49,-38.77,;45.03,-38.78,;45.8,-40.12,;47.33,-40.12,;48.1,-38.8,;49.63,-38.81,;50.4,-37.47,;50.4,-40.15,;49.63,-41.48,;48.09,-41.47,;47.31,-42.79,;51.94,-40.15,;52.35,-38.66,;53.44,-39.76,;52.71,-41.49,;54.25,-41.49,;55.15,-40.25,;56.62,-40.73,;56.61,-42.27,;55.14,-42.74,;44.03,-40.9,;43.98,-42.44,;41.62,-39,;42.03,-37.49,;40.93,-36.39,;39.42,-36.79,;39.02,-38.31,;40.12,-39.4,)|
Fc1cc(NC[C@H]2CCCNC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 |r|
N[C@H]1CC[C@@H](CCNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 |r,wU:4.4,1.0,(2.3,-59.56,;2.29,-58.02,;.96,-57.25,;.96,-55.71,;2.3,-54.94,;2.3,-53.39,;3.62,-52.63,;3.61,-51.07,;4.95,-50.28,;4.95,-48.74,;6.28,-47.97,;6.28,-46.43,;7.61,-48.73,;7.61,-50.28,;6.27,-51.05,;6.28,-52.59,;8.95,-47.95,;8.18,-46.61,;9.72,-46.61,;10.3,-48.72,;11.63,-47.94,;11.62,-46.41,;13.08,-45.93,;13.99,-47.17,;13.09,-48.42,;3.62,-55.7,;3.62,-57.25,)|
N[C@H]1CC[C@](CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccccc1 |r,wU:1.0,wD:4.4,(47.92,-19.6,;47.97,-18.07,;46.67,-17.25,;46.72,-15.72,;48.07,-15,;48.84,-13.67,;50.38,-13.68,;51.15,-15.02,;52.68,-15.03,;53.45,-13.71,;54.98,-13.71,;55.75,-12.38,;55.75,-15.05,;54.98,-16.38,;53.44,-16.37,;52.66,-17.69,;57.29,-15.05,;57.7,-13.56,;58.79,-14.66,;58.06,-16.39,;59.59,-16.39,;60.5,-15.15,;61.96,-15.63,;61.96,-17.17,;60.49,-17.64,;49.38,-15.8,;49.33,-17.34,;46.97,-13.9,;47.38,-12.4,;46.28,-11.3,;44.78,-11.7,;44.37,-13.21,;45.47,-14.3,)|
Fc1cc(NCCC2CCCCN2)c(Cl)cc1S(=O)(=O)Nc1nccs1
C[C@@]1(CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)CC[C@H](N)CC1 |r,wU:1.1,24.26,(59.23,-38.27,;60.33,-39.38,;61.11,-38.05,;62.65,-38.05,;63.41,-39.39,;64.95,-39.4,;65.72,-38.08,;67.25,-38.08,;68.03,-36.75,;68.03,-39.42,;67.25,-40.75,;65.71,-40.74,;64.93,-42.07,;69.56,-39.42,;69.98,-37.93,;71.06,-39.04,;70.33,-40.76,;71.87,-40.77,;72.78,-39.53,;74.24,-40.01,;74.24,-41.55,;72.77,-42.02,;58.98,-40.09,;58.93,-41.63,;60.24,-42.44,;60.19,-43.98,;61.6,-41.72,;61.65,-40.17,)|
Fc1cc(NCC2CNC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NC[C@@H]2CCCNC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 |r|
ON1CCC[C@@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1 |r|
N[C@H]1CC[C@@](CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccccc1 |r,wU:4.4,1.0,(27.38,-21.24,;27.43,-19.7,;26.12,-18.89,;26.17,-17.36,;27.52,-16.64,;28.3,-15.31,;29.84,-15.32,;30.6,-16.66,;32.14,-16.66,;32.9,-15.34,;34.44,-15.34,;35.21,-14.01,;35.21,-16.69,;34.43,-18.01,;32.89,-18.01,;32.11,-19.33,;36.74,-16.69,;37.16,-15.2,;38.24,-16.3,;37.51,-18.03,;39.05,-18.03,;39.95,-16.79,;41.42,-17.27,;41.41,-18.81,;39.94,-19.28,;28.84,-17.43,;28.79,-18.98,;26.42,-15.54,;26.83,-14.03,;25.74,-12.93,;24.23,-13.33,;23.83,-14.85,;24.93,-15.94,)|
N[C@H]1CC[C@@](CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccc(Cl)cc1 |r,wU:4.4,1.0,(66.64,-7.74,;66.69,-6.2,;65.39,-5.39,;65.44,-3.85,;66.79,-3.14,;67.56,-1.81,;69.1,-1.82,;69.86,-3.15,;71.4,-3.16,;72.17,-1.84,;73.7,-1.84,;74.47,-.51,;74.47,-3.18,;73.69,-4.51,;72.16,-4.5,;71.38,-5.83,;76.01,-3.18,;76.42,-1.69,;77.5,-2.8,;76.77,-4.52,;78.31,-4.53,;79.22,-3.29,;80.68,-3.77,;80.67,-5.31,;79.21,-5.78,;68.1,-3.93,;68.05,-5.47,;65.69,-2.04,;66.1,-.53,;65,.58,;63.49,.17,;62.41,1.26,;63.09,-1.34,;64.19,-2.44,)|
N[C@H]1CC[C@@](CCNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)(CC1)c1ccccc1 |r,wU:4.4,1.0,(22.89,-44.29,;22.94,-42.75,;21.64,-41.94,;21.69,-40.41,;23.04,-39.69,;23.82,-38.36,;25.35,-38.37,;26.12,-39.7,;27.66,-39.71,;28.42,-38.39,;29.95,-38.39,;30.73,-37.06,;30.73,-39.73,;29.95,-41.06,;28.41,-41.06,;27.63,-42.38,;32.26,-39.74,;32.68,-38.25,;33.76,-39.35,;33.03,-41.08,;34.57,-41.08,;35.48,-39.84,;36.94,-40.32,;36.93,-41.86,;35.47,-42.33,;24.36,-40.48,;24.3,-42.03,;21.94,-38.59,;22.35,-37.08,;21.25,-35.98,;19.75,-36.38,;19.34,-37.89,;20.44,-38.99,)|
CN1CCC(CCNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1
Fc1cc(NCCC2CCNCC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCCC2CCCCN2)c(Cl)cc1S(=O)(=O)Nc1ncns1
CN1C(C)(C)CC(CC1(C)C)Nc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1
Fc1cc(NCC2CNCCO2)c(Cl)cc1S(=O)(=O)Nc1nccs1
N[C@H]1CC[C@@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 |r,wU:4.4,1.0,(32.42,-58.42,;33.76,-57.64,;33.76,-56.1,;35.1,-55.33,;36.43,-56.1,;37.75,-55.33,;37.73,-53.78,;39.08,-52.99,;39.08,-51.45,;40.4,-50.67,;40.4,-49.14,;41.74,-51.44,;41.74,-52.99,;40.41,-53.75,;40.4,-55.29,;43.08,-50.66,;42.3,-49.32,;43.85,-49.32,;44.43,-51.43,;45.75,-50.65,;45.74,-49.12,;47.2,-48.65,;48.11,-49.87,;47.21,-51.13,;36.43,-57.64,;35.1,-58.41,)|
ON1CCC[C@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1 |r|
N[C@H]1CC[C@](CCOc2cc(F)c(cc2Cl)S(=O)(=O)Nc2ncns2)(CC1)c1ccccc1 |r,wU:1.0,wD:4.4,(3.92,-32.53,;3.97,-31,;2.67,-30.18,;2.72,-28.65,;4.07,-27.93,;4.84,-26.6,;6.38,-26.61,;7.14,-27.95,;8.68,-27.95,;9.45,-26.63,;10.98,-26.64,;11.75,-25.31,;11.75,-27.98,;10.97,-29.31,;9.44,-29.3,;8.66,-30.62,;13.29,-27.98,;13.7,-26.49,;14.79,-27.59,;14.05,-29.32,;15.59,-29.32,;16.5,-28.08,;17.96,-28.56,;17.96,-30.1,;16.49,-30.57,;5.38,-28.73,;5.33,-30.27,;2.97,-26.83,;3.38,-25.33,;2.28,-24.22,;.77,-24.63,;.37,-26.14,;1.47,-27.23,)|
Fc1cc(NCCC2CCNC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
N[C@H]1CC[C@@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2ncns2)CC1 |r,wU:4.4,1.0,(19.01,-58.71,;20.34,-57.93,;20.34,-56.39,;21.68,-55.62,;23.01,-56.39,;24.33,-55.62,;24.31,-54.07,;25.66,-53.28,;25.66,-51.74,;26.98,-50.96,;26.98,-49.43,;28.32,-51.73,;28.32,-53.28,;26.99,-54.05,;26.98,-55.58,;29.66,-50.95,;28.88,-49.61,;30.43,-49.61,;31.01,-51.72,;32.33,-50.94,;32.32,-49.41,;33.78,-48.94,;34.69,-50.16,;33.79,-51.42,;23.01,-57.93,;21.68,-58.7,)|
Fc1cc(NCCC2CCCNC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
N[C@H]1CC[C@H](CCNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 |r,wU:1.0,wD:4.4,(12.18,-61.35,;12.18,-59.81,;10.84,-59.04,;10.84,-57.5,;12.18,-56.73,;12.18,-55.19,;13.5,-54.42,;13.49,-52.86,;14.83,-52.07,;14.83,-50.53,;16.16,-49.76,;16.16,-48.22,;17.49,-50.53,;17.49,-52.07,;16.16,-52.84,;16.16,-54.38,;18.83,-49.74,;18.06,-48.41,;19.6,-48.4,;20.18,-50.51,;21.51,-49.73,;21.5,-48.2,;22.96,-47.73,;23.87,-48.96,;22.97,-50.21,;13.51,-57.5,;13.5,-59.05,)|
CN[C@H]1CC[C@@](CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccccc1 |r,wU:5.5,2.1,(27.81,-33.45,;26.5,-32.64,;26.55,-31.1,;25.25,-30.29,;25.3,-28.76,;26.65,-28.04,;27.42,-26.71,;28.96,-26.72,;29.72,-28.06,;31.26,-28.06,;32.03,-26.74,;33.56,-26.74,;34.33,-25.41,;34.33,-28.09,;33.55,-29.41,;32.02,-29.41,;31.24,-30.73,;35.87,-28.09,;36.28,-26.6,;37.37,-27.7,;36.63,-29.43,;38.17,-29.43,;39.08,-28.19,;40.54,-28.67,;40.54,-30.21,;39.07,-30.68,;27.96,-28.83,;27.91,-30.38,;25.55,-26.94,;25.96,-25.43,;24.86,-24.33,;23.35,-24.73,;22.95,-26.25,;24.05,-27.34,)|
CCCCCCCC(=O)CCc1ccc(O)c(OC)c1
CCCCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
CCCCC\C=C\C(=O)CCc1ccc(O)c(OC)c1
OC1N=C(c2ccccc2F)c2cc(Cl)ccc2-n2cncc12 |t:2|
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C
COC(=O)C1=C(CN2CCOC[C@H]2C(O)=O)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,18|
COc1ccc(cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1)C#CC(C)(C)N
COc1cc2nc(C)[nH]c2cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1
COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncccn1)-c1cccc(F)c1
COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncns1)-c1cccc(F)c1
COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncon1)-c1cccc(F)c1
COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncco1)-c1cccc(F)c1
COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1cccnn1)-c1cccc(F)c1
COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cccc(F)c1
COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F
COc1cc(ccc1-c1ncnc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cccc(F)c1
COc1cc(ccc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F |(6.67,-5.39,;5.33,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;1.33,-6.93,;1.33,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-1.9,1.33,;-3.44,-1.33,;-4,.77,;-5.33,,;-5.5,-1.53,;-7,-1.85,;-7.77,-.52,;-6.74,.63,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;4,-11.55,;4,-10.01,;5.33,-12.32,;6.67,-13.09,;6.1,-10.99,;4.56,-13.65,)|
COc1cc(ccc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ncccn1)-c1cccc(c1)C(F)(F)F |(6.67,-5.39,;5.33,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;1.33,-6.93,;1.33,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-2.67,3.08,;-2.67,4.62,;-4,5.39,;-5.33,4.62,;-5.33,3.08,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;4,-11.55,;4,-10.01,;5.33,-12.32,;6.67,-13.09,;4.56,-13.65,;6.1,-10.99,)|
COc1cc(ccc1Cl)-c1cc(OC)c(cc1F)-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ncccn1 |(6.67,-11.55,;5.33,-12.32,;4,-11.55,;4,-10.01,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;2.67,-13.86,;2.67,-7.7,;1.33,-6.93,;1.33,-5.39,;,-4.62,;-1.33,-5.39,;2.67,-4.62,;4,-5.39,;4,-6.93,;5.33,-7.7,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-2.67,3.08,;-2.67,4.62,;-4,5.39,;-5.33,4.62,;-5.33,3.08,)|
COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ncccn1)-c1ccc(Cl)c(C)c1 |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-2.67,3.08,;-2.67,4.62,;-4,5.39,;-5.33,4.62,;-5.33,3.08,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;2.67,-13.86,;4,-11.55,;5.33,-12.32,;4,-10.01,)|
COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1cccc(OC(F)F)c1 |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-5.25,3.22,;-4.77,4.68,;-3.23,4.68,;-2.76,3.22,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;4,-11.55,;5.33,-12.32,;5.33,-13.86,;6.67,-14.63,;4,-14.63,;4,-10.01,)|
COc1cc(ccc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1cc(ccc1C)C(F)(F)F |(6.67,-5.39,;5.33,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;1.33,-6.93,;1.33,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-1.9,1.33,;-3.44,-1.33,;-4,.77,;-5.33,,;-5.5,-1.53,;-7,-1.85,;-7.77,-.52,;-6.74,.63,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;4,-11.55,;4,-10.01,;5.33,-9.24,;,-12.32,;-1.33,-13.09,;.77,-13.65,;-.77,-10.99,)|
COc1cc(c(C)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-1.9,1.33,;-3.44,-1.33,;-4,.77,;-5.33,,;-5.5,-1.53,;-7,-1.85,;-7.77,-.52,;-6.74,.63,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;4,-11.55,;4,-10.01,;5.33,-12.32,;6.67,-13.09,;6.1,-10.99,;4.56,-13.65,)|
COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1cnccn1)-c1ccc(Cl)c(C)c1 |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-2.67,3.08,;-2.67,4.62,;-4,5.39,;-5.33,4.62,;-5.33,3.08,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;2.67,-13.86,;4,-11.55,;5.33,-12.32,;4,-10.01,)|
COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1ccc(F)c(C)c1 |(-1.33,-5.39,;,-4.62,;1.33,-5.39,;1.33,-6.93,;2.67,-7.7,;4,-6.93,;5.33,-7.7,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-5.25,3.22,;-4.77,4.68,;-3.23,4.68,;-2.76,3.22,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;2.67,-13.86,;4,-11.55,;5.33,-12.32,;4,-10.01,)|
Cc1cnc(cc1Nc1ccnc2cn[nH]c12)-c1cc(F)ccc1F
COc1cccc2nccc(Nc3cc(ncc3C)-c3nc(C)ccc3F)c12
Cc1cnc(cc1Nc1ccnc2cnn(CC(N)=O)c12)-c1cc(Cl)ccc1F
Cc1cnc(cc1Nc1ccnc2cn(CC(N)=O)nc12)-c1cc(Cl)ccc1F
NC(=O)Cn1cc2nccc(Nc3ccnc(c3)-c3cc(Cl)ccc3F)c2n1
Cc1cnc(cc1Nc1ccnc2cn[nH]c12)-c1cc(Cl)ccc1F
c1ccc2c(c1)c(nn2CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)Nc5cccc(n5)Br)C(=O)N
c1ccc2c(c1)c(cn2C(=O)N)NC(=O)N3CCC[C@H]3C(=O)Nc4cccc(c4)OC(F)(F)F
O=c1c2c([nH]c(Cc3ccc4OCOc4c3)c2oc2ccccc12)-c1nccs1
COc1ccc(cc1O)-c1nc2ccccc2c(=O)[nH]1
COc1cc(ccc1O)-c1nc2ccccc2c(=O)[nH]1
Clc1ccc(Oc2ccc(cc2)-c2nc3ccccc3c(=O)[nH]2)c(Cl)c1
Fc1ccc(COc2ccc(cc2)-c2nc3ccccc3c(=O)[nH]2)c(F)c1
c1ccc(cc1)C2=CC(=O)c3ccc4ccccc4c3O2
O=c1[nH]c(nc2ccccc12)-c1ccc(OCC#C)cc1
c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)Br
Fc1cc(F)cc(c1)N1CCC[C@@H]1c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCOCC1 |r|
CNC(=O)c1c(oc2ccc(c(F)c12)-c1cc(ccc1C)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1
CNC(=O)c1c(oc2ccc(cc12)-c1cc(ccc1C)C(=O)NC1(CC1)c1ccncc1)-c1ccc(F)cc1
CNC(=O)c1c(oc2ccc(cc12)-c1cc(ccc1C)C(=O)NC1(CC1)c1cccnc1)-c1ccc(F)cc1
CNC(=O)c1c(oc2ccc(cc12)-c1cc(ccc1C)C(=O)NC1(CC1)c1ccccn1)-c1ccc(F)cc1
CNC(=O)c1c(oc2ccc(cc12)-c1cc(ccc1C)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1
CNC(=O)c1c(oc2ccc(cc12)-c1cc(ccc1C)C(=O)NC1(CC1)c1ccccc1)-c1ccc(F)cc1
OC1CN(C1)C(=O)CC1(C2CC3CC1CC(C2)[C@H]3O)c1ccccc1 |r,wD:17.21,TLB:16:15:8.9.10:12,7:8:14.16.15:10.11.12,7:8:12:14.15.17,THB:16:9:12:14.15.17,18:17:8.9.10:12,17:15:8:10.11.12,17:11:8:14.16.15,19:8:14.16.15:10.11.12,19:8:12:14.15.17,(43.24,-21.55,;43.72,-20.08,;43.03,-18.71,;44.4,-18.01,;45.1,-19.38,;44.88,-16.54,;43.63,-15.64,;46.35,-16.07,;47.49,-17.11,;48.99,-16.68,;48.98,-15.1,;50.02,-13.87,;48.67,-14.34,;48.68,-15.83,;50,-16.32,;51.4,-15.97,;50.4,-17.25,;51.42,-14.44,;52.71,-13.59,;47.48,-18.64,;46.13,-19.39,;46.12,-20.93,;47.44,-21.71,;48.79,-20.95,;48.79,-19.41,)|
CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F
CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12
COC(=O)Nc1c(N)nc(nc1N)-c1nn(Cc2ccccc2F)c2ncc(F)cc12
CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@](F)(Cl)[C@@H]1O)Oc1ccccc1 |r|
C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=O)NC2=O)(C)F)O)Oc3ccccc3
Fc1ccc(cc1)C1=CCCN[C@@H]1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1 |r,t:8|
Fc1cnc(NS(=O)(=O)c2cc(Cl)c(NC[C@H]3NCCC=C3c3ccc(F)cc3)cc2F)s1 |r,c:20|
Fc1ccc(cc1)C1=CCCN[C@@H]1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nc(Cl)cs1 |r,t:8|
Fc1cc(NCC23CCCN2CCC3)c(Cl)cc1S(=O)(=O)Nc1nccs1
CC1(C)CN2CCC[C@]2(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1 |r|
c1ccc2c(c1)c(c3c(n2)CCCC3)N
COc1ccc(CNc2c3CCCCc3nc3cc(Cl)ccc23)cc1OC
Clc1ccc2c(NCc3ccccn3)c3CCCCc3nc2c1
COc1ccc(CNc2c3CCCCc3nc3ccccc23)cc1OC
[H][C@@]12CC[C@]([H])([C@H]1NC(=O)c1ccc(cc1Cl)-n1cnc(C)n1)N(C2)c1ncc(Cl)c2cnoc12 |r,TLB:7:6:23.24:2.3,THB:25:23:6:2.3|
COc1cc(OC)c(Cl)c(c1Cl)-c1ccc2nc(Nc3c(C)cccc3NC(=O)C=C)ncc2c1
COc1cc(OC)c(F)c(COc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2)c1F |r|
COc1cc(OC)c(F)c(COc2cnc(Nc3c(C)cccc3NC(=O)C=C)nc2)c1F
C[C@H]1CN(CCN1c2ccc(nc2)NC3=CC(=CN(C3=O)C)c4ccnc(c4CO)N5CCn6c(cc7c6CC(C7)(C)C)C5=O)C8COC8
[O-][N+](=O)c1cn2C[C@H](COc2n1)Oc1ccc(OC(F)(F)F)cc1 |r|
C[C@H]1OC(C)(C)C(=O)N([C@H]1C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F |r|
COc1cncc(CN2CCc3c(C2)sc2ccc(F)cc32)c1
Fc1cncc(CN2CCc3c(C2)sc2ccc(F)cc32)c1
Cc1ccncc1CN1CCc2c(C1)sc1ccc(F)cc21
Fc1ccc2sc3CN(Cc4cccnc4)CCc3c2c1
Fc1ccc2sc3CN(Cc4c[nH]cn4)CCc3c2c1
Oc1ccc2sc3CN(Cc4cccnc4)CCc3c2c1
Cc1ccc(Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc(cc2)-c2ccccc2)cc1C(O)=O
CC1(C)Cc2c(sc(NC(=O)c3ccn[nH]3)c2C(N)=O)C(C)(C)O1
c1c(c2c([nH]1)ncnc2NC3CCC(CC3)N4CCOCC4)C5CCOCC5
CC1=CC(=C(C(=O)N1)CN2CCc3c(cc(c(c3C2=O)Cl)[C@@H](C4COC4)OC)Cl)OC
CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3nc(nn3c2)-c2c(C)cccc2C)cc1 |r|
CN(CC=Cc1ccc(cc1)-c1ccccc1)Cc1coc2ccccc12
COc1cc(cc(OC)c1OC)C(=O)NC(C(C)C)c1nc(cs1)C(=O)Nc1ccccc1C(=O)c1ccccc1
Cc1cc(NC2CCN(CC2)C(=O)CCNCC(O)=O)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1
OC12CC3CC(C1)CC(C3)(C2)NCc1cc(on1)C1CC1 |TLB:11:8:2.1.6:4,THB:10:1:4:9.8.7,10:8:2.1.6:4,0:1:4:9.8.7,7:8:2:6.5.4,7:5:2:9.10.8,11:8:2:6.5.4|
c1cc(cc(c1)CSC2=NC(=C(C(=O)N2)C#N)c3cccs3)CC(=O)O
CCOC(=O)C1=C(CN2CCO[C@H](CCC(O)=O)C2)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1 |r,c:5,21|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](N)CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)OC(C)=O)[C@H](C)CCCNCCCCNc1ccnc2cc(Cl)ccc12 |r|
Cc1nn(-c2cncc(c2)[C@](C)(O)C(F)(F)F)c2ccccc12 |r|
Cc1nn(-c2cncc(c2)[C@@](C)(O)C(F)(F)F)c2ccccc12 |r|
C[C@](O)(c1cncc(c1)-n1nc(c2ccccc12)C(F)(F)F)C(F)(F)F |r|
CC(C)(O)c1cncc(c1)-n1ncc2c(cccc12)C(F)(F)F
Cc1nn(-c2cncc(c2)C(C)(C)O)c2cccc(F)c12
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccc(=O)n(C)n2)CC1 |r|
Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3cccnc3F)c(N)c2c1C
Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3ccncc3)c(N)c2c1C
Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3ccnc(F)c3)c(N)c2c1C
Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3ccc(F)nc3)c(N)c2c1C
[O-][n+]1onc2ccc(\C=N\NC(=O)c3ccncc3)cc12
Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:20.25,wD:18.20,(25.39,-29.03,;24.05,-29.8,;24.05,-31.34,;22.72,-32.11,;21.39,-31.34,;21.39,-29.8,;22.72,-29.03,;22.72,-27.49,;23.97,-26.59,;23.49,-25.13,;21.95,-25.13,;21.48,-26.59,;20.01,-27.07,;19.69,-28.57,;18.22,-29.05,;17.08,-28.02,;17.4,-26.52,;18.87,-26.04,;25.43,-27.07,;26.13,-28.44,;27.5,-27.74,;26.8,-26.37,;28.97,-28.22,;29.44,-29.68,;28.67,-31.01,;29.44,-32.35,;30.98,-32.35,;31.75,-31.01,;30.98,-29.68,;31.46,-28.22,;30.21,-27.31,;30.21,-25.77,;31.75,-33.68,;32.52,-35.01,)|
COCCCc1ccc2oc(cc2c1)-c1ccc(OC)c(OC)c1
C[C@H]1Cc2c(CN1C(=O)c1ccnc(c1F)C(F)(F)F)nnn2-c1ncc(F)cn1 |r|
[H][C@]1(C)Cc2c(CN1C(=O)c1ccnc(c1C)C(F)(F)F)nnn2-c1ncc(F)cn1 |r|
C[C@H]1Cc2c(CN1C(=O)c1cccc(c1F)C(F)(F)F)nnn2-c1ncc(F)cn1 |r|
Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)N\N=C\c3ccc(Cl)cc3)c12
Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)N\N=C\c3ccc(Br)cc3)c12
Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)N\N=C\c3ccc(cc3)[N+]([O-])=O)c12
Cc1nnc2sc(C(=O)NC3CN(C3)c3cccc(F)c3F)c(N)c2c1C
Cc1nnc2sc(C(=O)NC3CN(C3)c3ccc(nc3)C(F)(F)F)c(N)c2c1C
C[C@H](N1CC[C@@](CCC(N)=O)(OC1=O)c1ccc(F)cc1)c1ccc(Br)cc1 |r|
C[C@H](N1CC[C@@](CCC(N)=O)(OC1=O)c1ccccc1)c1ccc(OC(F)F)cc1 |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccc(F)cc1)c1ccc(OC(F)F)cc1 |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(OC(F)F)cc1 |r|
C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1cccnc1 |r|
C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccncc1 |r|
C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1cc(C)nc(C)c1 |r|
COc1ccc(cn1)-c1ccc(cc1)[C@H](C)N1CC[C@@](CCCO)(OC1=O)c1ccccc1 |r|
COc1ccc(cn1)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1 |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(cn1)C#N |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(cn1)C(N)=O |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1cnc(C)cn1 |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1cnc(C)nc1 |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc2ncnn2c1 |r|
C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(Br)cc1 |r|
C[C@H](N1CC[C@@](CCC(N)=O)(OC1=O)c1ccc(F)cc1)c1ccc(OC(F)F)cc1 |r|
C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccccn1 |r|
C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1cncc(F)c1 |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1cc(C)nc(C)c1 |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(F)cn1 |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(C)nn1 |r|
C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(C)n1 |r|
CC(C)(O)CC(=O)N1CCC(CC1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1
c1ccc2c(c1)CN(C2)C(=O)Nc3ccc(cc3)C(=O)NC[C@@H]4CCOC4
CNC(=O)c1c(oc2nc(CCC(F)(F)F)c(cc12)-c1cc(C(=O)NC(C)(C)c2ncon2)c(=O)n(C)c1)-c1ccc(F)cc1
COc1cnc(-n2cncn2)c2[nH]cc(C(=O)C(=O)N3CCN(CC3)C(=O)c3ccccc3)c12
c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O)O2
CCc1cccc(NC(=O)c2cc(Oc3cncnc3)cc(C)n2)n1
Cc1cc(Oc2cncnc2)cc(n1)C(=O)Nc1cccc(F)n1
Cc1cc(Oc2cncc(F)c2)cc(n1)C(=O)Nc1cccc(F)n1
Cc1cc(Oc2cncc(F)c2)cc(n1)C(=O)Nc1ccc(F)cn1
Cc1cc(Oc2cncnc2)cc(n1)C(=O)Nc1ccc(Cl)cn1
Cc1cc(Oc2cncnc2)cc(n1)C(=O)Nc1cc(F)ccn1
Cc1cc(Oc2cncc(F)c2)cc(n1)C(=O)Nc1cc(F)ccn1
Cc1cc(Oc2cnc(C)nc2)cc(n1)C(=O)Nc1ccc(F)cn1
Cc1cccc(NC(=O)c2cc(Oc3cncnc3)cc(C)n2)n1
Cc1cc(Oc2cncnc2)cc(n1)C(=O)Nc1ccc(F)cn1
Cc1cccc(NC(=O)c2cc(Oc3cncc(F)c3)cc(C)n2)n1
Cc1cc(Oc2cncc(F)c2)cc(n1)C(=O)Nc1ccc(Cl)cn1
Cc1cc(Oc2cncc(Cl)c2)cc(n1)C(=O)Nc1ccc(F)cn1
CN1C(=O)C2=C(N(CC(=O)Nc3ccc(cc3)-c3nccs3)CCC2)C1=O |t:4|
O=C(CN1CCCC2=C1C(=O)N(C1CC1)C2=O)Nc1ccc(nn1)-c1cccnc1 |c:7|
CN1C(=O)C2=C(N(CC(=O)Nc3ccc(nn3)-c3cncc(F)c3)CCC2)C1=O |t:4|
Fc1cncc(c1)-c1ccc(NC(=O)CN2CCCC3=C2C(=O)N(C2CC2)C3=O)nn1 |c:20|
Cc1ccc(cn1)-c1ccc(NC(=O)CN2CCCC3=C2C(=O)N(C2CC2)C3=O)nn1 |c:20|
CN1C(=O)C2=C(N(CC(=O)Nc3ccc(nn3)-c3cccnc3)CCC2)C1=O |t:4|
CN1C(=O)C2=C(N(CC(=O)Nc3ccc(nn3)-c3ccc(C)nc3)CCC2)C1=O |t:4|
Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1cscn1
Cn1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
Cn1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1
Clc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1cn[nH]c1
Cc1[nH]ncc1-c1cc(ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ncns1)C(F)(F)F
Nc1cc(ccn1)-c1cc(Cl)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ncns1
FC(F)(F)c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccncn1
FC(F)(F)c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1cccnn1
Fc1cc(Oc2ccc(cc2-c2ccnnc2)C(F)(F)F)c(Cl)cc1S(=O)(=O)Nc1nncs1
Fc1cc(Oc2ccc(cc2-c2ccnnc2)C(F)(F)F)c(Cl)cc1S(=O)(=O)Nc1cscn1
Nc1n[nH]cc1-c1cc(ccc1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nncs1)C(F)(F)F
Nc1[nH]ncc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
CN1CC(C1)n1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
CN1CC(C1)n1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1cscn1
CCN1CC(C1)n1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1cscn1
Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ncns1
Cn1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Cn1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nncs1
Clc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccn[nH]1
Nc1[nH]ncc1-c1cc(Cl)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ncns1
FC(F)(F)c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnnc1
Nc1n[nH]cc1-c1cc(ccc1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)C(F)(F)F
CCN1CC(C1)n1nccc1-c1cc(Cl)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1cscn1
C[C@H](NC(=O)\C=C\c1ccc(F)cc1)c1ccc(F)c(c1)N1CCOCC1
C[C@H](NC(=O)\C=C\c1ccccc1)c1cccc(c1)N1CCOCC1
CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3OC(C)=O)N(C)C)[C@@H](C)C[C@@]3(CO3)C(=O)[C@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1OC(C)=O
[H][C@@]12CC[C@H](C(=O)Cn3cc(cn3)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@](C)(O)CC[C@]12[H] |r|
Cc1c(O)cccc1C(=O)N[C@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C |r|
CN\C([CH-][N+]([O-])=O)=[NH+]/CCSCc1ccc(CN(C)C)o1
C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@@H]3c4cc5c(cc4[C@H]([C@@H]6[C@@H]3COC6=O)c7cc(c(c(c7)OC)O)OC)OCO5)O)O
CC(C)(C)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 |@:16|
COC(=O)C1C(C(C(=O)OCCN(C)Cc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:24,t:21|
COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |r,c:48|
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO |c:11,t:7|
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO |t:9|
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8
C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)O
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O |r|
OC(=O)c1cnc(s1)N(C1CCCCC1)C(=O)c1ccc(OCc2cccc(c2)C(F)(F)F)cc1
C[n+]1c[nH]cc1-c1cccnc1
CNc1ccc(s1)-c1cccnc1
CCn1cnc(c1)-c1cccnc1
c1csc(c1)-c1cccnc1
c1cncc(c1)-c1cccnc1
C(NCc1ccc(s1)-c1cccnc1)c1ccc(s1)-c1cccnc1
C(c1ccccc1)n1cnc(c1)-c1cccnc1
Cc1cn(cn1)-c1cccnc1
CCOC(=O)\C=C\c1ccc(\C=C\c2cc(O)c(O)c(O)c2)cc1
CCOC(=O)\C=C\c1cc(O)c2oc(cc2c1)-c1cc(O)c(O)c(O)c1
Oc1ccc(cc1O)-c1cc2cc(Br)cc(O)c2o1
CCOC(=O)\C=C\c1cc(O)c(O)cc1-c1cc2ccccc2o1
Fc1cc(NCC2OCCO2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCC2CCOCC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCCC2CCOCC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCC2COCCO2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCCC2CCCCO2)c(Cl)cc1S(=O)(=O)Nc1nccs1
CC(C)(C)[C@H]1OCCC[C@@H]1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1 |r|
CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1 |r|
Fc1cc(NC[C@H]2CCCO[C@@H]2c2ccccc2)c(Cl)cc1S(=O)(=O)Nc1nccs1 |r|
Fc1cc(NCC2CCCC(=O)C2)c(Cl)cc1S(=O)(=O)Nc1nccs1
O[C@H]1CCC[C@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1 |r|
Fc1cc(NCC2CCCC3(C2)OCCO3)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCC2CCC(=O)CC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
[#6]-[#8]\[#7]=[#6]-1/[#6]-[#6]-[#6](-[#6]-[#7]-c2cc(F)c(cc2Cl)S(=O)(=O)[#7]-c2nccs2)-[#6]-[#6]-1
O[C@H]1CC[C@@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 |r,wU:4.4,1.0,(4.65,-11.88,;5.99,-11.12,;6,-9.58,;7.33,-8.82,;8.66,-9.59,;9.99,-8.82,;9.99,-7.28,;11.33,-6.51,;11.33,-4.97,;12.66,-4.2,;12.65,-2.66,;13.99,-4.96,;14,-6.51,;12.66,-7.28,;12.66,-8.82,;15.32,-4.18,;14.54,-2.85,;16.09,-2.84,;16.66,-4.95,;17.99,-4.18,;19.4,-4.8,;20.42,-3.66,;19.65,-2.33,;18.14,-2.65,;8.66,-11.13,;7.32,-11.89,)|
Fc1cc(NCCC2CCS(=O)(=O)CC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCC2CCS(=O)(=O)C2)c(Cl)cc1S(=O)(=O)Nc1nccs1
[H][C@@]12OCC[C@]1(CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)CCO2 |r,wU:5.6,1.0,(5.91,-10.76,;5.92,-12.31,;7.27,-11.85,;8.24,-13.05,;7.4,-14.34,;5.92,-13.94,;5.91,-15.48,;7.25,-16.25,;8.58,-15.48,;8.58,-13.94,;9.91,-13.17,;9.91,-11.63,;11.25,-13.93,;11.25,-15.48,;9.92,-16.25,;9.92,-17.79,;12.58,-13.15,;11.8,-11.81,;13.35,-11.81,;13.91,-13.92,;15.25,-13.15,;16.65,-13.77,;17.68,-12.62,;16.9,-11.29,;15.4,-11.62,;4.48,-14.49,;3.51,-13.29,;4.35,-12,)|
O[C@]12CCC[C@@]1(CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)CCC2 |r,wU:5.6,1.0,(24.36,-1.35,;24.38,-2.89,;22.8,-2.58,;21.96,-3.88,;22.93,-5.07,;24.37,-4.52,;24.37,-6.06,;25.7,-6.83,;27.03,-6.06,;27.04,-4.52,;28.36,-3.75,;28.36,-2.21,;29.7,-4.51,;29.71,-6.06,;28.37,-6.83,;28.37,-8.37,;31.03,-3.73,;30.25,-2.4,;31.8,-2.39,;32.37,-4.5,;33.7,-3.73,;35.1,-4.35,;36.13,-3.2,;35.35,-1.87,;33.85,-2.2,;25.86,-4.92,;26.69,-3.63,;25.72,-2.43,)|
OC12CC3CC(C1)CC(CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)(C3)C2 |TLB:28:8:2.3.4:6,THB:28:3:6:29.8.7,7:8:2:4.5.6,7:5:2:29.28.8,9:8:2.3.4:6|
Fc1cc(NCC2CCCCO2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NC[C@H]2CCCOC2)c(Cl)cc1S(=O)(=O)Nc1nccs1 |r|
Fc1cc(NCCC2CCCOC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
O[C@@H]1CCC[C@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1 |r|
O[C@H]1CC[C@H](CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)CC1 |r,wU:4.4,wD:1.0,(42.45,-33.72,;43.79,-32.96,;45.12,-33.73,;46.46,-32.97,;46.45,-31.43,;47.79,-30.66,;47.79,-29.12,;49.12,-28.35,;49.13,-26.81,;50.46,-26.04,;50.45,-24.5,;51.79,-26.8,;51.8,-28.35,;50.46,-29.12,;50.46,-30.66,;53.12,-26.02,;52.34,-24.69,;53.89,-24.68,;54.46,-26.79,;55.79,-26.02,;57.19,-26.64,;58.22,-25.49,;57.44,-24.16,;55.94,-24.49,;45.12,-30.66,;43.79,-31.42,)|
Fc1cc(NCCCC2CCOC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
Fc1cc(NCC2CCOC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
CCOc1ccccc1C[C@H](N1CCNCC1)c1ccccc1
Clc1ccccc1CC(N1CCNCC1)c1ccccc1
CCOc1ccccc1C[C@@H](N1CCNCC1)c1ccccc1
Fc1ccc(nc1)-c1nc2CN(CCc2o1)C(=O)c1cccc(F)c1
Fc1ccc(nc1)-c1nc2CN(CCc2o1)C(=O)c1cc(F)cc(Cl)c1
Fc1ccc(nc1)-c1cc2CN(CCn2n1)C(=O)c1cc(F)cc(Cl)c1
Fc1ccc(nc1)-c1nc2CN(CCc2o1)C(=O)c1ccccc1
Cc1ccc2c(C(O)=O)c(O)c(nc2c1C)-c1ccc(Cl)cc1
OC(=O)c1c(O)c(nc2c(cccc12)-c1ccccc1)-c1ccc(Cl)cc1
COC(=O)N(NC(=O)c1c(OC)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl
Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1
NC(=O)c1cc(Cl)c2c(Cl)c(C3CC3)n([C@H]3CCCNC3)c2n1 |r|
CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
O=C(N1CCN(C(=O)C1)c1ccc(OCCCN2CCCCC2)cc1)c1ccc(cc1)C#N
O=C(N1CCN(C(=O)C1)c1ccc(OC2CCN(CC2)C2CCC2)cc1)c1ccc(cc1)C#N
C[C@@H]1CCCN1CCCOc1ccc(cc1)N1CCN(CC1=O)C(=O)c1ccc(F)cc1F
Fc1ccc(cc1)C(=O)N1CCN(C(=O)C1)c1ccc(OCCCN2CCCCC2)cc1
CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC)CC2)c2ncccc2c1
Cc1cccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)n1
Fc1ccc(NC(=O)c2cc(Oc3cncc(c3)C#N)cn3ncnc23)nc1
Fc1ccc(NC(=O)c2cc(Oc3cnc(F)c(F)c3)cn3ncnc23)nc1
Fc1ccc(NC(=O)c2cc(Oc3cncnc3)cn3ncnc23)nc1
Fc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3ncnc23)nc1
COc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)nc1
Cc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)nc1
Fc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)nc1
Fc1cncc(Oc2cc(C(=O)Nc3cccc(F)n3)c3nccn3c2)c1
Fc1ccc(NC(=O)c2cc(Oc3cncc(F)c3F)cn3ncnc23)nc1
Fc1ccc(NC(=O)c2cc(Oc3cncc(F)c3)cn3cnnc23)nc1
CC(C)(C)OC(=O)N[C@H](Cc1c(F)ccc(F)c1F)C(=O)NCc1nc2cccnc2n1C1(CC1)c1ccccc1
CC(C)(C)OC(=O)N[C@H](Cc1cc(F)ccc1Cl)C(=O)NCc1nc2cccnc2n1C1(CC1)c1ccccc1
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C(F)(F)F)C(=O)NCc1nc2cccnc2n1CC1CC1
CC(C1CC1)n1c(CNC(=O)[C@@H](Cc2ccccc2C(F)(F)F)NC(=O)OC(C)(C)C)nc2cccnc12
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1nc2cccnc2n1C1(CC1)c1ccccc1
CC(C)(C)OC(=O)N[C@H](Cc1cc(F)ccc1F)C(=O)NCc1nc2cccnc2n1C1(CC1)c1ccccc1
CC(C)(C)OC(=O)N[C@H](Cc1cccc(Cl)c1)C(=O)NCc1nc2cccnc2n1C1(CC1)c1ccccc1
Fc1ccc(F)c(C[C@@H](NC(=O)C2(CC2)C(F)(F)F)C(=O)NCc2nc3cccnc3n2C2(CC2)c2ccccc2)c1F
CC(C)(C)OC(=O)N[C@H](Cc1c(F)cccc1Cl)C(=O)NCc1nc2cccnc2n1C1(CC1)c1ccccc1
CC(C)(C)OC(=O)N[C@H](Cc1cccc(F)c1F)C(=O)NCc1nc2cccnc2n1C1(CC1)c1ccccc1
FC(F)(F)C1(CC1)C(=O)N[C@H](Cc1ccccc1Cl)C(=O)NCc1nc2cccnc2n1C1(CC1)c1ccccc1
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C(F)(F)F)C(=O)NCc1nc2cccnc2n1CC(F)(F)C(F)(F)F
Fc1cccc(F)c1C[C@@H](NC(=O)C1(CC1)C(F)(F)F)C(=O)NCc1nc2cccnc2n1C1(CC1)c1ccccc1
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C(F)(F)F)C(=O)NCc1nc2cccnc2n1C1(CC1)c1ccccc1
CC(C)(C)OC(=O)N[C@H](Cc1c(F)cccc1C(F)(F)F)C(=O)NCc1nc2cccnc2n1C1(CC1)c1ccccc1
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1OC(F)(F)F)C(=O)NCc1nc2cccnc2n1C1(CC1)c1ccccc1
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Cl)C(=O)NCc1nc2cccnc2n1C1(CC1)c1ccccc1
FC(F)(F)c1ccccc1C[C@@H](NC(=O)C1(CC1)C(F)(F)F)C(=O)NCc1nc2cccnc2n1C1(CC1)c1ccccc1
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C(F)(F)F)C(=O)NCc1nc2cccnc2n1Cc1ccccc1
CC(C)(C)OC(=O)N[C@H](Cc1cccc(F)c1C(F)(F)F)C(=O)NCc1nc2cccnc2n1C1(CC1)c1ccccc1
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1F)C(=O)NCc1nc2cccnc2n1C1(CC1)c1ccccc1
FC(F)(F)Oc1ccccc1C(=O)N[C@H](Cc1ccccc1C(F)(F)F)C(=O)NCc1nc2cccnc2n1C1(CC1)c1ccccc1
CC(C)(C)OC(=O)N[C@H](Cc1c(F)cccc1F)C(=O)NCc1nc2cccnc2n1C1(CC1)c1ccccc1
Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N(c1ccccc1)c1cccnc1
CN(C)S(=O)(=O)NC(=O)CCCc1c([nH]c2ccc(cc12)C#N)-c1ccc(F)cc1
C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1
CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@@H](COc1ccccn1)CC#N
CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@@H](COc1ccccc1O)CC#N
C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OC(=O)CN
C[C@H](COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C)OC(=O)[C@@H](C)N
CC(C)C[C@@H](N)C(=O)O[C@H](C)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(n1)-c1ccccc1)[C@@H](C)O)B(O)O
COc1ccc(cc1)N1[C@@H]([C@H](Cc2cccc(OCCc3nc(oc3C)-c3ccccc3)c2)C1=O)C(O)=O |r|
Cc1oc(nc1CCOc1cccc(C[C@H]2[C@H](N(C2=O)c2ccc(cc2)C(C)(C)C)C(O)=O)c1)-c1ccc(Cl)cc1
Cc1oc(nc1CCOc1ccc(C[C@@H]2[C@@H](N(C2=O)c2ccc(cc2)C(C)(C)C)C(O)=O)cc1)-c1ccccc1
Cc1oc(nc1CCOc1ccc(C[C@H]2[C@H](N(C2=O)c2ccc(cc2)C(C)(C)C)C(O)=O)cc1)-c1ccccc1
Cc1oc(nc1CCOc1cccc(C[C@@H]2[C@@H](N(C2=O)c2ccc(cc2)C(C)(C)C)C(O)=O)c1)-c1ccccc1
Cc1oc(nc1CCOc1cccc(C[C@H]2[C@H](N(C2=O)c2ccc(cc2)C(C)(C)C)C(O)=O)c1)-c1ccccc1
COc1ccc(cc1)N1[C@@H]([C@H](Cc2ccc(OCCc3nc(oc3C)-c3ccccc3)cc2)C1=O)C(O)=O
COc1ccc(cc1)-c1nc(CCOc2cccc(C[C@H]3[C@H](N(C3=O)c3ccc(cc3)C(C)(C)C)C(O)=O)c2)c(C)o1
COc1cccc(c1)-c1nc(CCOc2cccc(C[C@H]3[C@H](N(C3=O)c3ccc(cc3)C(C)(C)C)C(O)=O)c2)c(C)o1
Cc1oc(nc1CCOc1cccc(C[C@H]2[C@H](N(C2=O)c2ccc(cc2)C(C)(C)C)C(O)=O)c1)-c1cccc(Cl)c1
[H][C@]12CC[C@]([H])(N1C)c1c(C2)sc(NC(=O)Nc2ccc(Cl)cc2)c1C(N)=O
COc1cc(CC(=O)Nc2cc(nc(n2)-c2ccccn2)-n2nc(C)cc2C)cc(OC)c1
Cc1cc(C)n(n1)-c1cc(NC(=O)Cc2ccc(cc2)S(C)(=O)=O)nc(n1)-c1ccccn1
Cc1cc(C)n(n1)-c1cc(NC(=O)Cc2cc(C)cc(C)c2)nc(n1)-c1ccccn1
CCOc1ccc(CC(=O)Nc2cc(nc(n2)-c2ccccn2)-n2nc(C)cc2C)cc1OC
COc1ccc(CC(=O)Nc2cc(nc(n2)-c2ccccn2)-n2nc(C)cc2C)cc1
COc1cc(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)cc(OC)c1
CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccc(o2)C(F)(F)F)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
CC[C@@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2coc(C)n2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccc(F)cc2F)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2coc(C)n2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccc(Br)s2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccc(C)o2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
CC(C)C[C@H]1N([C@@H](C(=O)N(C)CCO)c2coc(C)n2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
CC[C@H](C)[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](c2coc(n2)C)C(=O)N3CCOCC3)C4Cc5ccccc5C4
CC(C)C[C@H]1N([C@@H](C(=O)N2CCOCC2)c2coc(C)n2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
CC(C)C[C@H]1N([C@@H](C(=O)N2CCC2)c2coc(C)n2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Oc1cccc(c1)-c1ccc2cc(O)ccc2c1
Cc1cc(NC(=O)OC(C)(C)C)nn1Cc1cc(Cl)ccc1OCc1ccccc1
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O |r|
c1ccc(cc1)C#Cc2ccc(o2)C(=O)N3CCC4(CC3)COc5c4cc(cc5)CN
CNc1nnc(o1)-c1cn2ncnc(Nc3cc(C(=O)NC4CC4)c(F)cc3F)c2c1C(C)C
CC(C)c1c(cn2ncnc(Nc3cc(C(=O)NC4CC4)c(F)cc3F)c12)-c1nnc(OC2CCNCC2)o1
CC(C)c1c(cn2ncnc(Nc3cc(C(=O)NC4CC4)c(F)cc3F)c12)-c1nnc(NCCCCN)o1
CC(C)c1c(cn2ncnc(Nc3cc(C(=O)NC4CC4)c(F)cc3F)c12)-c1nnc(OCC2CCNCC2)o1
CC(N)COc1nnc(o1)-c1cn2ncnc(Nc3cc(C(=O)NC4CC4)c(F)cc3F)c2c1C(C)C |w:1.1|
CC(C)c1c(cn2ncnc(Nc3cc(C(=O)NC4CC4)c(F)cc3F)c12)-c1nnc(o1)N1CCN(C)CC1
CC(C)c1c(cn2ncnc(Nc3cc(C(=O)NC4CC4)c(F)cc3F)c12)-c1nnc(o1)N1CCC(N)CC1
CC(C)c1c(cn2ncnc(Nc3cc(C(=O)NC4CC4)c(F)cc3F)c12)-c1nnc(NCCCN(C)C)o1
CNCCCNc1nnc(o1)-c1cn2ncnc(Nc3cc(C(=O)NC4CC4)c(F)cc3F)c2c1C(C)C
CC(C)c1c(cn2ncnc(Nc3cc(C(=O)NC4CC4)c(F)cc3F)c12)-c1nnc(NCCCN)o1
CC(C)c1c(cn2ncnc(Nc3cc(C(=O)NC4CC4)c(F)cc3F)c12)-c1nnc(NCC(C)(C)N)o1
CC(C)c1c(cn2ncnc(Nc3cc(C(=O)NC4CC4)c(F)cc3F)c12)-c1nnc(NCCO)o1
CCCNc1nnc(o1)-c1cn2ncnc(Nc3cc(C(=O)NC4CC4)c(F)cc3F)c2c1C(C)C
CC(C)c1c(cn2ncnc(Nc3cc(C(=O)NC4CC4)c(F)cc3F)c12)-c1nnc(o1)N(C)C
CC(C)c1c(cn2ncnc(Nc3cc(C(=O)NC4CC4)c(F)cc3F)c12)-c1nnc(O[C@H]2CCNC2)o1
CC(C)c1c(cn2ncnc(Nc3cc(C(=O)NC4CC4)c(F)cc3F)c12)-c1nnc(NCC(C)(C)CN)o1
CC(C)Nc1nnc(o1)-c1cn2ncnc(Nc3cc(C(=O)NC4CC4)c(F)cc3F)c2c1C(C)C
Nc1nccn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)[C@@H]1C[C@@H](C1)N1CCC1 |wU:26.30,28.35,(-8.61,2.61,;-8.6,1.07,;-9.93,.3,;-9.93,-1.25,;-8.6,-2.02,;-7.26,-1.25,;-5.78,-1.72,;-4.87,-.47,;-5.79,.79,;-5.01,2.11,;-5.77,3.44,;-5,4.77,;-3.46,4.77,;-2.69,6.1,;-1.14,6.09,;-.37,4.76,;-1.15,3.42,;-2.69,3.43,;-3.47,2.1,;1.17,4.75,;1.94,3.41,;3.48,3.41,;4.25,4.75,;3.47,6.08,;1.94,6.08,;-7.26,.31,;-5.31,-3.19,;-6,-4.56,;-4.63,-5.26,;-3.93,-3.88,;-4.15,-6.72,;-4.85,-8.09,;-3.47,-8.79,;-2.78,-7.41,)|
CN(C)[C@H]1C[C@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |wU:5.7,3.2,(24.37,-53.29,;25.4,-52.15,;26.9,-52.47,;24.92,-50.68,;23.55,-49.98,;24.24,-48.62,;25.62,-49.31,;23.77,-47.15,;24.68,-45.9,;23.76,-44.64,;24.54,-43.32,;23.78,-41.99,;24.55,-40.66,;26.09,-40.66,;26.86,-39.32,;28.4,-39.34,;29.18,-40.67,;28.4,-42.01,;26.86,-42,;26.08,-43.33,;30.72,-40.68,;31.49,-42.02,;33.03,-42.02,;33.8,-40.68,;33.02,-39.34,;31.49,-39.35,;22.29,-45.12,;20.95,-44.36,;20.94,-42.82,;19.62,-45.13,;19.62,-46.67,;20.95,-47.44,;22.29,-46.67,)|
Nc1nccn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)[C@H]1C[C@H](CN2CCOCC2)C1 |wU:26.30,wD:28.33,(5.75,-42.52,;5.75,-44.06,;4.43,-44.83,;4.43,-46.37,;5.76,-47.14,;7.1,-46.37,;8.57,-46.85,;9.48,-45.59,;8.57,-44.34,;9.35,-43.01,;8.58,-41.68,;9.35,-40.35,;10.9,-40.36,;11.66,-39.02,;13.21,-39.04,;13.99,-40.37,;13.21,-41.71,;11.67,-41.7,;10.89,-43.02,;15.53,-40.38,;16.3,-41.71,;17.84,-41.71,;18.61,-40.38,;17.83,-39.04,;16.3,-39.05,;7.09,-44.82,;9.05,-48.31,;10.43,-49.01,;9.73,-50.38,;10.21,-51.85,;9.44,-53.18,;7.91,-53.17,;7.13,-54.5,;7.9,-55.83,;9.44,-55.84,;10.2,-54.51,;8.36,-49.68,)|
Nc1nccn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)[C@@H]1C[C@H](CN2CCOCC2)C1 |wU:26.30,28.33,(-9.18,-42.53,;-9.17,-44.07,;-10.49,-44.84,;-10.5,-46.39,;-9.16,-47.16,;-7.83,-46.39,;-6.35,-46.87,;-5.44,-45.61,;-6.35,-44.35,;-5.57,-43.03,;-6.34,-41.7,;-5.57,-40.37,;-4.02,-40.37,;-3.26,-39.04,;-1.71,-39.05,;-.93,-40.39,;-1.71,-41.72,;-3.25,-41.72,;-4.03,-43.04,;.61,-40.39,;1.38,-41.73,;2.92,-41.73,;3.69,-40.4,;2.91,-39.06,;1.37,-39.06,;-7.83,-44.83,;-5.87,-48.33,;-6.57,-49.7,;-5.19,-50.4,;-4.72,-51.86,;-5.5,-53.2,;-7.02,-53.19,;-7.8,-54.52,;-7.03,-55.85,;-5.49,-55.86,;-4.73,-54.53,;-4.49,-49.03,)|
Nc1nccn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)[C@H]1C[C@H](CN2CCC2)C1 |wU:26.30,wD:28.33,(20.91,-25.07,;20.92,-26.61,;19.6,-27.38,;19.59,-28.92,;20.93,-29.69,;22.26,-28.92,;23.74,-29.4,;24.65,-28.14,;23.74,-26.89,;24.51,-25.56,;23.75,-24.23,;24.52,-22.9,;26.07,-22.91,;26.83,-21.57,;28.38,-21.59,;29.16,-22.92,;28.38,-24.26,;26.83,-24.25,;26.06,-25.57,;30.7,-22.93,;31.47,-24.26,;33,-24.27,;33.78,-22.93,;33,-21.59,;31.46,-21.6,;22.26,-27.37,;24.22,-30.86,;25.59,-31.56,;24.9,-32.93,;25.37,-34.4,;24.34,-35.54,;22.81,-35.62,;22.89,-37.16,;24.43,-37.07,;23.52,-32.23,)|
Nc1nccn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |wU:26.30,28.33,(7.04,-25.52,;7.05,-27.06,;5.72,-27.83,;5.72,-29.37,;7.05,-30.15,;8.39,-29.37,;9.86,-29.85,;10.77,-28.6,;9.86,-27.34,;10.64,-26.02,;9.88,-24.69,;10.64,-23.36,;12.19,-23.36,;12.96,-22.02,;14.5,-22.04,;15.28,-23.37,;14.5,-24.71,;12.96,-24.7,;12.18,-26.03,;16.82,-23.38,;17.59,-24.72,;19.13,-24.72,;19.9,-23.38,;19.12,-22.05,;17.59,-22.05,;8.39,-27.82,;10.34,-31.32,;9.65,-32.69,;11.02,-33.38,;11.5,-34.85,;10.47,-35.99,;8.93,-36.07,;9.01,-37.61,;10.55,-37.53,;11.72,-32.01,)|
CN(C)C[C@H]1C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |wU:6.8,wD:4.3,(-5.34,-34.06,;-5.81,-32.6,;-7.32,-32.28,;-4.78,-31.45,;-5.26,-29.99,;-4.56,-28.62,;-5.94,-27.92,;-6.63,-29.29,;-6.42,-26.46,;-5.51,-25.2,;-6.42,-23.95,;-5.64,-22.62,;-6.41,-21.29,;-5.64,-19.96,;-4.09,-19.96,;-3.33,-18.63,;-1.78,-18.64,;-1,-19.98,;-1.78,-21.31,;-3.32,-21.31,;-4.1,-22.63,;.54,-19.98,;1.31,-21.32,;2.85,-21.32,;3.62,-19.99,;2.84,-18.65,;1.3,-18.66,;-7.89,-24.43,;-9.24,-23.66,;-9.24,-22.12,;-10.56,-24.43,;-10.56,-25.98,;-9.23,-26.75,;-7.89,-25.98,)|
CN(C)C[C@H]1C[C@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |wU:6.8,4.3,(25.03,-21.69,;24.56,-20.23,;23.05,-19.91,;25.59,-19.08,;25.11,-17.62,;23.74,-16.92,;24.43,-15.55,;25.81,-16.24,;23.95,-14.09,;24.86,-12.83,;23.95,-11.57,;24.73,-10.25,;23.97,-8.92,;24.73,-7.59,;26.28,-7.59,;27.05,-6.26,;28.59,-6.27,;29.37,-7.61,;28.59,-8.94,;27.05,-8.94,;26.27,-10.26,;30.91,-7.61,;31.68,-8.95,;33.22,-8.95,;33.99,-7.62,;33.21,-6.28,;31.68,-6.29,;22.48,-12.05,;21.14,-11.29,;21.13,-9.75,;19.81,-12.06,;19.81,-13.61,;21.14,-14.38,;22.48,-13.61,)|
Nc1nccn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)C1CCC1
Nc1nccn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)[C@@H]1C[C@@H](C1)N1CCOCC1 |wU:26.30,28.35,(6.69,-13.61,;6.7,-15.15,;5.37,-15.92,;5.37,-17.47,;6.7,-18.24,;8.04,-17.47,;9.51,-17.95,;10.43,-16.69,;9.51,-15.44,;10.29,-14.11,;9.53,-12.78,;10.29,-11.45,;11.84,-11.45,;12.61,-10.12,;14.15,-10.13,;14.93,-11.47,;14.15,-12.8,;12.61,-12.8,;11.83,-14.12,;16.47,-11.47,;17.24,-12.81,;18.78,-12.81,;19.55,-11.48,;18.77,-10.14,;17.24,-10.14,;8.04,-15.92,;9.99,-19.41,;9.3,-20.78,;10.67,-21.48,;11.37,-20.11,;11.14,-22.94,;10.25,-24.19,;10.88,-25.58,;12.41,-25.73,;13.3,-24.48,;12.67,-23.08,)|
Nc1nccn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)[C@@H]1C[C@@H](C1)N1CCSCC1 |wU:26.30,28.35,(-8.5,-13.48,;-8.49,-15.02,;-9.82,-15.79,;-9.82,-17.34,;-8.49,-18.11,;-7.15,-17.34,;-5.67,-17.82,;-4.76,-16.56,;-5.68,-15.31,;-4.9,-13.98,;-5.66,-12.65,;-4.89,-11.32,;-3.34,-11.32,;-2.58,-9.99,;-1.03,-10,;-.25,-11.34,;-1.03,-12.67,;-2.58,-12.67,;-3.36,-13.99,;1.28,-11.35,;2.05,-12.68,;3.59,-12.68,;4.36,-11.35,;3.59,-10.01,;2.05,-10.02,;-7.15,-15.79,;-5.2,-19.28,;-5.89,-20.65,;-4.52,-21.35,;-3.82,-19.98,;-4.04,-22.81,;-4.94,-24.06,;-4.31,-25.45,;-2.78,-25.6,;-1.88,-24.35,;-2.52,-22.95,)|
Nc1nccn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)[C@@H]1C[C@@H](C1)N1CCCC1 |wU:26.30,28.35,(6.76,3.51,;6.77,1.97,;5.45,1.2,;5.44,-.35,;6.78,-1.12,;8.11,-.35,;9.59,-.83,;10.5,.43,;9.59,1.69,;10.36,3.01,;9.6,4.34,;10.37,5.67,;11.92,5.67,;12.68,7,;14.23,6.99,;15.01,5.65,;14.23,4.32,;12.68,4.32,;11.91,3,;16.55,5.65,;17.32,4.31,;18.86,4.31,;19.63,5.64,;18.85,6.98,;17.31,6.98,;8.11,1.21,;10.07,-2.29,;9.37,-3.66,;10.75,-4.36,;11.44,-2.98,;11.22,-5.82,;10.33,-7.06,;11.23,-8.31,;12.7,-7.83,;12.7,-6.29,)|
Nc1nccn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)[C@@H]1C[C@@H](C1)N1CCCCC1 |wU:26.30,28.35,(22.65,3.13,;22.66,1.59,;21.34,.82,;21.33,-.72,;22.66,-1.49,;24,-.72,;25.48,-1.2,;26.39,.05,;25.48,1.31,;26.25,2.63,;25.49,3.96,;26.26,5.29,;27.81,5.29,;28.57,6.63,;30.12,6.61,;30.9,5.28,;30.12,3.94,;28.57,3.95,;27.8,2.62,;32.44,5.27,;33.21,3.93,;34.75,3.93,;35.52,5.27,;34.74,6.61,;33.2,6.6,;24,.83,;25.96,-2.67,;25.26,-4.04,;26.64,-4.73,;27.33,-3.36,;27.11,-6.19,;26.22,-7.44,;26.85,-8.83,;28.38,-8.99,;29.27,-7.74,;28.64,-6.33,)|
CNCc1cnc(C)cc1Oc1ccccc1Oc1ccccc1
COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3cc(C)no3)c2cc1OC
COc1cc2nccc(Oc3ccc4c(cccc4c3F)C(=O)Nc3ccc(Cl)cc3)c2cc1OC
COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccncc3)c2cc1OC
COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3cccnc3)c2cc1OC
COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccccn3)c2cc1OC
COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)cccc4C(=O)Nc5ccc(cc5)Cl
Cc1ccc(cc1Nc1ncnc2n(ncc12)-c1ccccc1)C(=O)Nc1ccon1
Fc1ccccc1-c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnc1 |c:12|
Fc1ccccc1-c1ccc2N=C(CC(=O)Nc2c1)c1cccc(c1)-n1ccnn1 |c:12|
Oc1cc2N=C(CC(=O)Nc2cc1-c1ccccc1F)c1cccc(c1)-n1ccnc1 |c:4|
Clc1ccc2sc(=O)n(CC(=O)N3CCCC(C3CN3CCOCC3)c3ccccc3)c2c1 |w:16.26,17.18|
Clc1ccc2sc(=O)n(CC(=O)N3CCCC(C3CN3CCCC3)c3ccccc3)c2c1 |w:16.25,17.18|
Clc1ccc2oc(=O)n(CC(=O)N3CCCC(C3CN3CCOCC3)c3ccccc3)c2c1 |w:16.26,17.18|
Clc1ccc2oc(=O)n(CC(=O)N3CCCC(C3CN3CCCC3)c3ccccc3)c2c1 |w:16.25,17.18|
Cc1cc2ncc(=O)n(CC(=O)N3CCCC(C3CN3CCOCC3)c3ccccc3)c2cc1C |w:17.18,16.26|
Cc1cc2ncc(=O)n(CC(=O)N3CCCC(C3CN3CCCC3)c3ccccc3)c2cc1C |w:17.18,16.25|
Clc1cc2ncc(=O)n(CC(=O)N3CCCC(C3CN3CCOCC3)c3ccccc3)c2cc1Cl |w:17.18,16.26|
Clc1cc2ncc(=O)n(CC(=O)N3CCCC(C3CN3CCCC3)c3ccccc3)c2cc1Cl |w:17.18,16.25|
Cc1cc2OCC(=O)N(CC(=O)N3CCCC(C3CN3CCCC3)c3ccccc3)c2cc1C |w:17.18,16.25|
Clc1cc2OCC(=O)N(CC(=O)N3CCCC(C3CN3CCOCC3)c3ccccc3)c2cc1Cl |w:16.26,17.18|
Clc1cc2OCC(=O)N(CC(=O)N3CCCC(C3CN3CCCC3)c3ccccc3)c2cc1Cl |w:17.18,16.25|
COCCN(CC(=O)N1CCCC(C1CN1CCOCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 |w:12.22,13.14|
COCCN(CC(=O)N1CCCC(C1CN1CCCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 |w:12.21,13.14|
Clc1ccc(cc1Cl)N(CC#N)CC(=O)N1CCCC(C1CN1CCOCC1)c1ccccc1 |w:19.30,20.22|
Clc1ccc(cc1Cl)N(CC#N)CC(=O)N1CCCC(C1CN1CCCC1)c1ccccc1 |w:19.29,20.22|
CN(CC(=O)N1CCCC(C1CN1CCOCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 |w:9.19,10.11|
CNc1nnc(o1)-c1cn2ncnc(Nc3cnc4[nH]c(C)cc4c3)c2c1C(C)C
CC(C)c1c(cn2ncnc(Nc3cnc4[nH]c(C)cc4c3)c12)-c1nnc(C)o1
CC(C)c1c(cn2ncnc(Nc3cnc4[nH]ccc4c3)c12)-c1nnc(C)o1
COc1cc(Cl)ccc1Oc1cc(C)ncc1CN(C)C
CN(C)Cc1cnc(C)cc1Oc1ccc(Cl)cc1C
CN(CC(=O)N1CCC[C@@H]([C@@H]1CN1CCCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r|
c1cc2c(cc1C[C@H](NC(=O)c3ccc(cc3OCCCCO2)C(F)(F)F)C(=O)NC4(CC4)C#N)Cl
Fc1ccc(cc1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)c(Cl)c1)C(=O)NC1(CC1)C#N |r|
FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)-c2cccnc2)C(=O)NC2(CC2)C#N)cc1Cl |r|
Cn1ncc(n1)C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)c(Cl)c1)C(=O)NC1(CC1)C#N |r|
Fc1ccc(cc1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)NC1(CC1)C#N |r|
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O)O)O)O)O
CN1[C@H]2Cc3cc4OCOc4cc3[C@@H]1Cc1cc3OCOc3cc21 |r,TLB:0:1:14.15.23:3.12.4|
C[N+]1(C)[C@H]2Cc3cc4OCOc4cc3[C@@H]1Cc1cc3COCc3cc21 |r|
CN1CCc2cc3OCOc3cc2C(=O)Cc2cc3OCOc3cc2C1
COc1cc(C[C@@H]2[C@@H](Cc3cc(OC)c(O)c(OC)c3)COC2=O)cc2OCOc12 |r|
COc1cc(C[C@H]2CO[C@H](O)[C@@H]2Cc2cc(OC)c(OC)c(OC)c2)cc2OCOc12 |r|
CC1=CC(=O)C2=C(C)C[C@@H]3OC(=O)C(C)=C3C[C@@H]12 |r,c:5,14,t:1|
CC1=C[C@@H](O)[C@@]23O[C@]2(C)C[C@@H]2OC(=O)C(C)=C2C[C@@H]13 |r,c:16,t:1|
CO[C@@H]1OC[C@H](Cc2ccc3OCOc3c2)[C@H]1Cc1ccc2OCOc2c1 |r|
COc1cc(OC)c(cc1OC)[C@@H]1[C@H](C)[C@@H](C)[C@H]1c1cc(OC)c(OC)cc1OC |r|
O=C1OC[C@H](Cc2ccc3OCOc3c2)[C@H]1Cc1ccc2OCOc2c1 |r|
O[C@H]1OC[C@H](Cc2ccc3OCOc3c2)[C@H]1Cc1ccc2OCOc2c1 |r|
COc1cc(C[C@@H]2[C@@H](Cc3ccc4OCOc4c3)COC2O)cc(OC)c1OC |r|
COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC |r|
OC[C@H](Cc1ccc2OCOc2c1)[C@H](CO)Cc1ccc2OCOc2c1 |r|
COc1cc(cc(c1OC)OC)C[C@@H]2[C@H](COC2=O)Cc3ccc4c(c3)OCO4
COc1cc(OC)c(OC)cc1CC(C)=O
CCOc1cc(C[C@H]2COC(O)[C@@H]2Cc2cc(OC)c(OC)c(OC)c2)cc2OCOc12 |r|
COc1cc(C[C@H]2COC(O)[C@@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC |r|
COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc3OCOc3c2)cc(OC)c1OC |r|
COc1cc(OC)c(cc1OC)C(=O)C(C)=O
COc1cc(C[C@@H]2COC(=O)[C@H]2Cc2cc(OC)c(O)c(OC)c2)ccc1O |r|
COc1cc(ccc1O)[C@H]1OC[C@H]2[C@@H]1COC2c1cc(OC)c(O)c(OC)c1 |r|
Fc1ccc(cn1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)c(Cl)c1)C(=O)NC1(CC1)C#N |r|
CC(C)(C)n1ncc(n1)C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)c(Cl)c1)C(=O)NC1(CC1)C#N |r|
CCCCC[C@H]1OC(=O)c2ccc(OC)cc2[C@H]1OC(C)=O |r|
[O-][n+]1ccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccc3cc(F)ccc3c2)c(c1)C(=O)N1CCCCC1 |r,TLB:16:15:8.9.14:11.12,7:8:15:11.12|
Fc1ccc2cc(CN3C4CCC3CC(C4)NC(=O)c3ccccc3-c3ccccc3)ccc2c1 |TLB:7:8:14.15.13:10.11,16:14:8:10.11|
C[C@H]1CN(Cc2ccc(CCC(=O)N3CCC(CC3)Nc3cccc(F)c3)cc2)CCN1 |r|
C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(CC3)Nc3ccc(F)cc3)cc2)C[C@@H](C)N1 |r|
C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(CC3)Nc3ccc(F)cc3)cc2)CCN1 |r|
C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(CC3)Nc3cccc(F)c3)cc2)CCN1 |r|
C[C@@H]1CN(Cc2ccc(CC(=O)N3CCC(CC3)Nc3cccc(F)c3)cc2)CCN1 |r|
CC(C(=O)N1CCC(CC1)Nc1ccc(F)cc1)c1ccc(CN2C[C@H](C)N[C@H](C)C2)cc1 |r|
C[C@H]1CN(Cc2ccc(cc2)C(C)(C)C(=O)N2CCC(CC2)Nc2ccc(F)cc2)C[C@@H](C)N1 |r|
C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(CC3)Nc3cccc(c3)C#N)cc2)CCN1 |r|
N[C@@H]1CCCN(C1)c1nc2ccc(F)cc2c(=O)n1Cc1ccccc1C#N |r|
CC(C)(C)NCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1F
OC(=O)CC1CCC2(CC1)CCN(CC2)c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C(F)(F)F
OC(=O)CN1CCC2(CC1)CCN(CC2)c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C(F)(F)F
OC(=O)C1CCC2(CCN(CC2)c2ccc(cn2)-c2nc3cc(ccc3[nH]2)C(F)(F)F)OC1
OC(=O)CC1CCC2(CCN(CC2)c2ccc(cn2)-c2nc3cc(ccc3[nH]2)C(F)(F)F)OC1
OC(=O)CC1CCC2(CCN(CC2)c2ccc(cn2)-c2nc3cc(ccc3[nH]2)C(F)(F)F)O1
OC(=O)C[C@@H]1COC2(C1)CCN(CC2)c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C(F)(F)F |r|
OC(=O)C[C@H]1COC2(C1)CCN(CC2)c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C(F)(F)F |r|
OC(=O)CC1CCOC2(CCN(CC2)c2ccc(cn2)-c2nc3cc(ccc3[nH]2)C(F)(F)F)C1
OC(=O)CC1COC2(C1)CCN(CC2)c1ccc(cn1)-c1nc2cc(ccc2[nH]1)C(F)(F)F
CS(=O)(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
OC(=O)c1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccccn1 |r|
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ccncc1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1cnccn1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1ncccn1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1nccc2ccccc12
Cn1cnnc1C1CCN(CC1)C(=O)NC1CC1c1ccccc1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)n1cncn1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)n1cccn1
Cc1c(o[nH]c1=O)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nnco1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1ncon1
Cc1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc2ccccc2o1
FC(F)(F)c1ccccc1-c1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
FC(F)(F)c1ccc(NC(=O)N2CCC(CC2)c2nc(no2)-c2ccccn2)cc1
O=C(NC1CCc2ccccc2CC1)N1CCC(CC1)c1nc(no1)-c1ccccn1
O=C(NC1CC1c1ccccc1)N1CCC(CC1)n1ccnn1
Cn1cc(nn1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
Cn1cc(cn1)S(=O)(=O)N1CCC2=Cc3c(C[C@@]2(C1)C(=O)c1cc(ccn1)C(F)(F)F)cnn3-c1ccc(F)cc1 |r,t:13|
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cn2cc(C)nc(C)c2n1
C[C@]1(COc2ccc(OC(F)(F)F)cc2)Cn2cc(nc2O1)[N+]([O-])=O |r|
[O-][N+](=O)c1cn2CC[C@H](COc3ccc(nc3)-c3ccc(F)cc3)Oc2n1 |r|
NCc1ccnc(Oc2cccc(c2)C(=O)N2C[C@@H](O)[C@H](F)C2)c1
COc1ccc(F)c(c1)-c1ccc(Cc2ccc(cc2)N2C[C@@H](C[C@@H]2CC(O)=O)C(F)(F)F)c(C)c1 |r|
C[C@H]1N(CCc2c1nnn2-c1cc(F)ccn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
C[C@H]1N(CCc2c1nnn2-c1cnccn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
C[C@H]1N(CCc2c1nnn2-c1ncccn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
C[C@H]1N(CCc2c1nnn2-c1nccc(C)n1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
C[C@H]1N(CCc2c1nnn2-c1ncc(F)cn1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
C[C@@]1(CC[C@H](C1(C)C)Nc2c3cc(cn3ncc2C(=O)N)c4ccccc4)N
COc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)C#Cc1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1
OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)C#Cc1ccc(F)cc1
OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)C#Cc1ccc(Cl)cc1
OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)C#Cc1ccc(cc1)C(F)(F)F
OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)C#Cc1cccc(F)c1
OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)C#Cc1cccc(Cl)c1
OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)C#Cc1ccc(OCC(F)F)cc1
OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)C#Cc1ccc(NCC(F)(F)F)cc1
OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)C#Cc1ccc(OCc2ccc(CC(F)F)cc2)cc1
OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)C#Cc1ccc(OCc2ccc(cc2)C#N)cc1
OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)C#Cc1ccc(OCc2cccc(c2)C#N)cc1
OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)C#Cc1ccc(OCc2ccc(C#N)c(F)c2)cc1
OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)C#Cc1ccc(OCc2ccc(cc2F)C#N)cc1
OC(Cn1cnnn1)(c1ccc(Cl)cc1F)C(F)(F)c1ccc(cn1)C#Cc1ccc(OCc2ccc(cc2)C#N)cc1
OC(Cn1cnnn1)(c1cc(F)ccc1F)C(F)(F)c1ccc(cn1)C#Cc1ccc(OCc2ccc(cc2)C#N)cc1
OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)C#Cc1ccc(COc2ccc(cc2)C#N)cc1
OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)C#Cc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1
CNC(=O)c1ccc(COc2ccc(cc2)C#Cc2ccc(nc2)C(F)(F)C(O)(Cn2cnnn2)c2ccc(F)cc2F)cc1
OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)C#Cc1ccc(OCc2ccc(F)cc2)cc1
Clc1cccc(\C=C\C(=O)c2ccc[nH]2)c1
Brc1ccc(\C=C\C(=O)c2ccc[nH]2)cc1
COc1cccc(OC)c1\C=C\C(=O)c1ccc[nH]1
[O-][N+](=O)c1ccc(Cl)c(\C=C\C(=O)c2ccc[nH]2)c1
COc1cccc(\C=C\C(=O)c2ccc[nH]2)c1
COc1cc(\C=C\C(=O)c2ccc[nH]2)cc(OC)c1OC
FC(F)(F)Oc1ccc(\C=C\C(=O)c2ccc[nH]2)cc1
COc1ccccc1\C=C\C(=O)c1ccc[nH]1
Clc1ccccc1\C=C\C(=O)c1ccc[nH]1
OC(=O)c1ccc(\C=C\C(=O)c2ccc[nH]2)cc1
COc1ccc(\C=C\C(=O)c2ccc[nH]2)cc1
Brc1cccc(\C=C\C(=O)c2ccc[nH]2)c1
COc1ccc(\C=C\C(=O)c2ccc[nH]2)cc1Br
CCc1ccc(\C=C\C(=O)c2ccc[nH]2)o1
O=C(\C=C\c1c2ccccc2cc2ccccc12)c1ccc[nH]1
Fc1ccccc1\C=C\C(=O)c1ccc[nH]1
COc1ccc(\C=C\C=C\C(=O)c2ccc[nH]2)cc1
CN(C)c1ccc(\C=C\C(=O)c2ccc[nH]2)cc1
COc1cccc(\C=C\C(=O)c2ccc[nH]2)c1OC
O=C(\C=C\c1ccc2OCOc2c1)c1ccc[nH]1
COc1ccc(\C=C\C(=O)c2ccc[nH]2)c(OC)c1
O=C(\C=C\C=C\c1ccccc1)c1ccc[nH]1
COc1cc(OC)cc(\C=C\C(=O)c2ccc[nH]2)c1
C[C@@H]1CN(Cc2ccccc2)CCN1c1nc(cc(=O)n1C)-c1ccncn1 |r|
C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccccc1 |r|
C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)S(=O)(=O)c1ccc(C)cc1 |r|
C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1cccc(F)c1 |r|
C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccc(F)cc1 |r|
C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccc(Cl)cc1 |r|
COc1ccccc1N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1 |r|
COc1cccc(c1)N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1 |r|
COc1ccc(cc1)N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1 |r|
C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1cccc(c1)C#N |r|
C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccncc1 |r|
C[C@@H]1CN(CCN1c1nc(cc(=O)n1C)-c1ccncn1)c1ccccn1 |r|
CC(C)N1CCN([C@H](C)C1)c1nc(cc(=O)n1C)-c1ccncn1 |r|
COc1ccccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1
COc1cccc(c1)C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1
COc1cc(F)ccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1
COc1cc(F)ccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1
COc1ccc(cc1)C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1
CNC(=O)N1CCc2c(c(nn2C3CCOCC3)N4CCCc5c4cc(c(c5)c6cnn(c6)C)C(F)F)C1
Fc1ccc2[nH]cc(C3CC(=O)NC3=O)c2c1
O=C1C[C@@H](C(=O)N1)c1c[nH]c2ccccc12 |r|
C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CN(Cc1ccccn1)Cc1ccccn1 |r|
C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CN(Cc1cccnc1)Cc1cccnc1 |r|
C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CN(Cc1ccncc1)Cc1ccncc1 |r|
C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCc1ccccn1 |r|
C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCc1cccnc1 |r|
C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCc1ccncc1 |r|
C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCC1CCCCC1 |r|
FC1(F)CCC(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)CC1 |r|
C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCC1CCNCC1 |r|
C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCC1CCSCC1 |r|
O=S1(=O)CCC(CNCCCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)CC1 |r|
FC1(F)CCC(CC1)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|
C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCOCC1 |r|
C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCNCC1 |r|
O=S1(=O)CCC(CC1)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|
CC1(C)CCC(CC1)NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|
NCc1cccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)c1 |r|
NCc1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)cc1 |r|
NC\C=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|
CC(C)(CCN)CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|
CC(C)(CN)CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|
CC(C)(N)CCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|
FC1(F)CCC(CC1)NCc1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)cc1 |r|
C(NC1CCOCC1)c1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)cc1 |r|
C(NC1CCOCC1)\C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|
NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|
C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCCCC1 |r|
C(NCc1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)cc1)C1CCOCC1 |r|
C(NCc1ccccn1)c1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)cc1 |r|
C(NCc1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)cc1)c1ccncc1 |r|
C(NCC1CCOCC1)\C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|
FC1(F)CCC(CC1)NC\C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|
CC1(C)CCC(CC1)NC\C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|
C(NCc1ccccn1)\C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|
C(NCc1cccnc1)\C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|
CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCC1CCOCC1 |r|
CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCC(F)(F)CC1 |r|
CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCC(C)(C)CC1 |r|
NCc1ccccc1CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|
NC\C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|
C(NCc1ccncc1)\C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|
C(NCc1cccnc1)c1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)cc1 |r|
CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCOCC1 |r|
CC1(C)CCC(CC1)NCc1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)cc1 |r|
C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCC1CCOCC1 |r|
C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCc1ccccc1 |r|
C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCSCC1 |r|
C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CN(Cc1ccccc1)Cc1ccccc1 |r|
C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 |r|
CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1cc(on1)-c1ccccc1F |r|
CC(C)COC(=O)[C@H](Cn1ccnc1)NC(=O)c1cc(on1)-c1ccccc1F |r|
Cc1c(NC(=O)OC[C@@H]2COCCN2)cn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 |r|
CN1CCN(Cc2ccc3oc(cc3c2)-c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)Nc1ccc(CO)cc1
COc1ccc(cc1Cl)C(=O)NCc1cccc(c1)C(=O)Nc1ccc(CN(C)C)cc1
COc1ccc(cc1C)C(=O)NCc1cccc(c1)C(=O)Nc1ccc(CN(C)C)cc1
COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)Nc1ccc2CCNCc2c1
CC(c1c(CCN(C)C)sc2ccccc12)c1cc(C)ccn1
COc1cccc(n1)C(C)c1c(CCN(C)C)sc2ccccc12
CC(c1c(CCN(C)C)sc2ccccc12)c1cccc(F)n1
C[C@H](c1c(CCN(C)C)sc2ccccc12)c1ncccc1C |r|
COc1cccnc1[C@H](C)c1c(CCN(C)C)sc2ccccc12 |r|
C[C@H](c1c(CCN(C)C)sc2ccccc12)c1ncccc1F |r|
C[C@@H](c1c(CCN(C)C)sc2ccccc12)c1cccnc1 |r|
CC(c1c(CCN(C)C)sc2ccccc12)c1ccncc1
C[C@H](c1c(CCN(C)C)sc2ccccc12)c1ncccc1Cl |r|
C[C@H](c1c(CCN(C)C)sc2ccccc12)c1ccc(F)cn1 |r|
CC(c1c(CCN(C)C)sc2ccccc12)c1ccc(C)nc1
COc1ccc(cn1)C(C)c1c(CCN(C)C)sc2ccccc12
C[C@@H](c1c(CCN(C)C)sc2ccccc12)c1cccnc1C |r|
COc1ncccc1[C@@H](C)c1c(CCN(C)C)sc2ccccc12 |r|
C[C@@H](c1c(CCN(C)C)sc2ccccc12)c1cccnc1F |r|
C[C@@H](c1c(CCN(C)C)sc2ccccc12)c1cccnc1Cl |r|
C[C@@H](c1c(CCN(C)C)sc2ccccc12)c1ccccn1 |r|
CNCCc1sc2ccccc2c1[C@@H](C)c1ccccn1 |r|
C[C@H](c1c(CCN2CCCC2)sc2ccccc12)c1ccccn1 |r|
C[C@H](c1c(CCN2CCC2)sc2ccccc12)c1ccccn1 |r|
CC(c1c(CCN(C)C)sc2ccccc12)c1cccnc1
C[C@H](c1c(CCN(C)C)sc2ccccc12)c1cccnc1 |r|
CC(c1nccs1)c1c(CCN(C)C)sc2ccccc12
C[C@@H](c1cscn1)c1c(CCN(C)C)sc2ccccc12 |r|
C[C@@H](c1cncs1)c1c(CCN(C)C)sc2ccccc12 |r|
CC(c1c(CCN(C)C)sc2ccccc12)n1ccnc1
C[C@H](c1c(CCN(C)C)sc2ccccc12)n1cccn1 |r|
C[C@@H](O[C@H]1CN2C(CC(=CC2=O)C2=CCN(CC2)C(C)(C)C)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,c:8,t:13|
CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1
Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3cccc(Cl)c3)c2c1 |r|
COC(c1cncn1C)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3ccccc3)c2c1
COC(c1cncn1C)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3ccc(Cl)cc3)c2c1
COC(c1cncn1C)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3ccc(F)cc3)c2c1
COC(c1cncn1C)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3c(F)cccc3F)c2c1 |(-.87,-1.81,;-.09,-.48,;-.08,1.05,;-.09,2.59,;-1.35,3.49,;-.88,4.96,;.66,4.97,;1.14,3.51,;2.61,3.05,;1.26,.29,;1.26,-1.25,;2.59,-2.01,;3.92,-1.23,;5.26,-1.99,;3.91,.32,;2.57,1.07,;-1.41,.28,;-1.4,-1.27,;-2.74,-2.05,;-4.07,-1.28,;-5.41,-2.06,;-5.4,-3.6,;-6.74,-1.29,;-8.07,-2.06,;-6.74,.26,;-5.41,1.03,;-5.41,2.57,;-6.75,3.32,;-8.08,2.54,;-6.76,4.86,;-5.43,5.64,;-4.09,4.87,;-4.08,3.33,;-2.75,2.57,;-4.07,.26,;-2.75,1.04,)|
Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)cc3)c2o1 |(4.11,-9.88,;3.39,-11.25,;4.21,-12.55,;3.49,-13.91,;1.94,-13.97,;1.13,-12.67,;1.84,-11.31,;1.22,-15.32,;2.03,-16.61,;1.32,-17.95,;2.13,-19.25,;-.19,-18,;-.92,-19.36,;-.11,-20.67,;-2.45,-19.41,;-3.25,-18.11,;-4.31,-19.19,;-2.52,-16.76,;-3.32,-15.46,;-3.32,-13.91,;-4.67,-13.14,;-6,-13.93,;-7.34,-13.16,;-8.67,-13.94,;-10.01,-13.17,;-8.67,-15.48,;-7.34,-16.25,;-7.34,-17.8,;-6,-15.48,;-4.66,-16.24,;-4.56,-17.65,;-2.16,-12.91,;-.7,-13.43,;.47,-12.42,;.18,-10.91,;1.35,-9.9,;-1.28,-10.4,;-2.45,-11.41,;-1,-16.72,;-.3,-15.38,)|
Cc1cc(O)c2c3c1c1c(C)cc(O)c4c1c1c3c3c(c(O)cc(O)c3c2=O)c2c(O)cc(O)c(c12)c4=O
[#6]-[#6](-[#6])-[#6](=O)[C@@]12[#6](=O)-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](=O)[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]-[#6@H](-[#6]\[#6]=[#6](\[#6])-[#6])[C@@]1([#6])[#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#6]2=O |r,TLB:38:37:14.6.8:22.29.23|
CN1CCN(CC1)c1nc2ncc(Br)c(N3CCN(Cc4cc(C)on4)CC3)c2[nH]1
COc1ccccc1CC(N1CCNCC1)c1ccccc1
O=C(Nc1ccc(cc1C1=CCCCC1)-c1ccncc1)c1ncc([nH]1)C#N |t:10|
COC(CC=C)[C@@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r|
COC[C@]12C[C@]1(CCNC2)c1ccc2ccccc2c1 |r|
COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r|
[#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1cccc(-[#8])c1
[#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc(-[#8])c(F)c1
[#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc(-[#8])c(-[#8])c1
[#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1cccc(-[#7])c1
[#6]\[#6](-[#6])=[#6](/c1ccncc1)-c1ccc(cc1)-c1ccc(-[#7])c(-[#7])c1
CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1ccc(Cl)cn1
CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1ncccc1C
CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1ccc(C)cn1
CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)-c1ccc(F)cn1 |r|
CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)-c1ccc(C)nc1 |r|
CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)-c1ccc(F)nc1 |r|
CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1cnccc1C
CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1cncc(c1)C#N
CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1ccc(C)nc1C
CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1cccnc1F
CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1cccnc1
COC(=O)C1=C(Cn2ccnc2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl |c:4,t:13|
COC(=O)C1=C(Cn2cccn2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl |c:4,t:13|
COC(=O)C1=C(Cn2cncn2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl |c:4,t:13|
COC(=O)C1=C(Cn2cnnn2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl |c:4,t:13|
COC(=O)C1=C(Cn2cnnn2)N=C(C)C(C#N)[C@H]1c1ccc(F)cc1Cl |r,c:4,t:13|
CNCC[C@@H](c1ccc(Cl)c(Cl)c1)n1nnc(C)n1 |r|
CN1CCc2c(C1)n(nc2C(F)(F)F)-c1ccc(CN2CCCC2=O)cc1
FC(F)(F)c1nn(c2COCCc12)-c1ccc(CN2CCCC2=O)cc1
FC(F)(F)c1nn(c2COCCc12)-c1ccc(cc1)C(=O)N1CCCC1
Fc1cc(cc(F)c1CN1CCCC1=O)-n1nc(c2COCCc12)C(F)(F)F
c1cc(ccc1CN2CCCC2=O)n3c4c(c(n3)C(F)(F)F)COCC4
FC(F)(F)c1nn(c2CCOCc12)-c1ccc(cc1)C(=O)N1CCCC1
FC(F)(F)c1nn(c2CCCCc12)-c1ccc(cc1)C1(CC1)C(=O)N1CCCC1
FC(F)(F)c1nn(c2CCCCc12)-c1ccc(CC(=O)NC2CCCC2)cc1
FC(F)(F)c1ccccc1-c1cc(c2[nH]c(nc2c1)C1=NOC2(C1)CCCCC2)C(F)(F)F |t:22|
FC(F)(F)c1ccc(-[#8]-c2cccc(\[#6]=[#6]-3\[#6]-[#6]-[#7](-[#6]-[#6]-3)-[#6](=O)-[#7]-c3cccnn3)c2)nc1
FC(F)(F)c1ccc(-[#8]-c2cccc(\[#6]=[#6]-3\[#6]-[#6]-[#7](-[#6]-[#6]-3)-[#6](=O)-[#7]-c3cnccn3)c2)nc1
[#6]-c1ccc(-[#7]-[#6](=O)-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]\c2cccc(-[#8]-c3ccc(cn3)C(F)(F)F)c2)cn1
FC(F)(F)c1ccc(-[#8]-c2cccc(\[#6]=[#6]-3\[#6]-[#6]-[#7](-[#6]-[#6]-3)-[#6](=O)-[#7]-c3cccnc3)c2)nc1
COc1cc(ccc1O)[C@H]1COc2ccccc2[C@@H]1O |r|
COc1cc(ccc1O)[C@H](O)[C@H]1CO[C@@H]([C@H]1CO)c1ccc(O)c(OC)c1 |r|
COc1cc2C[C@@H](CO)[C@H](CO)[C@@H](c3ccc(O)c(OC)c3)c2cc1O |r|
COc1cc(C[C@H]2CO[C@@H]([C@H]2CO)c2ccc(O)c(O)c2)ccc1O |r|
COc1cc(ccc1O)C[C@@H](CO)[C@@H](Cc2ccc(c(c2)OC)O)CO
COc1cc(ccc1O)C[C@H]2CO[C@@H]([C@H]2CO)c3ccc(c(c3)OC)O
COc1cc(ccc1O)[C@@H]1Oc2cc(CCCO)ccc2O[C@H]1CO |r|
COc1cc2C[C@@H]3[C@H](COC3=O)[C@@H](c3ccc(O)c(OC)c3)c2cc1O |r|
CC(C)(C)CC(=O)Nc1c(cc(cc1F)C(=O)Nc2nccs2)F
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)Nc1nccs1
CC(C)(C)CC(=O)Nc1ccc(cc1)C(=O)Nc1nccs1
CC(C)CC(=O)Nc1ccc(cc1)C(=O)Nc1nccs1
CCCC(=O)Nc1ccc(cc1)C(=O)Nc1nccs1
CCCCC(=O)Nc1ccc(cc1)C(=O)Nc1nccs1
CCN1c2c(n(c(n2)/C=C/c3ccc(c(c3)OC)OC)C)C(=O)N(C1=O)CC
COC(=O)c1ccc(Oc2ccc(C=C3SC(O)=NC3=O)cc2OC)c(Cl)c1 |w:13.12,c:17|
COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1Cl)C(F)(F)F |w:5.4,c:9|
COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1Br)C(F)(F)F |w:5.4,c:9|
COC(=O)c1ccc(Oc2ccc(C=C3SC(O)=NC3=O)cc2OC)c(c1)C(F)(F)F |w:13.12,c:17|
COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1C(F)(F)F)C#N |w:5.4,c:9|
COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccccc1C(F)(F)F |w:5.4,c:9|
COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(C#N)c2ccccc12 |w:5.4,c:9|
COC(=O)c1ccc(Oc2ccc(C=C3SC(O)=NC3=O)cc2OC)c2ccccc12 |w:13.12,c:17|
CC(C)C(O)(c1cnc[nH]1)c1ccc2cc(ccc2c1)C(C)=O
COC(=O)c1ccc2cc(ccc2c1)C(O)(C(C)C)c1cnc[nH]1
CCCNC(=O)c1ccc2cc(ccc2c1)C(O)(C(C)C)c1cnc[nH]1
CNC(=O)c1cc2ccc(cc2cc1C)C(O)(C(C)C)c1cnc[nH]1
CC(C)C(O)(c1cnc[nH]1)c1ccc2cc(ccc2c1)C(N)=O
CC(C)C(O)(c1cnc[nH]1)c1ccc2cc3C(=O)N(C)Cc3cc2c1
CCNC(=O)c1ccc2cc(ccc2c1)C(O)(C(C)C)c1cnc[nH]1
CC(C)C(O)(c1cnc[nH]1)c1ccc2c3CNC(=O)c3ccc2c1
CC(C)NC(=O)c1ccc2cc(ccc2c1)C(O)(C(C)C)c1cnc[nH]1
CNC(=O)c1ccc2cc(ccc2c1Cl)C(O)(C(C)C)c1cnc[nH]1
CNC(=O)c1ccc2cc(ccc2c1C)C(O)(C(C)C)c1cnc[nH]1
CC(C)[C@](O)(c1cnc[nH]1)c1ccc2c3CN(C)C(=O)c3ccc2c1 |r|
CC(C)C(O)(c1cnc[nH]1)c1ccc2cc3C(=O)NCc3cc2c1
CC(C)[C@@](O)(c1cnc[nH]1)c1ccc2c3CN(C)C(=O)c3ccc2c1 |r|
Cc1c(O)n(-c2ccc(cc2)S(=O)(=O)C(F)(F)F)c(=O)n1Cc1ccnc2ccccc12
Cc1cc(Cl)cc(OCCn2cc(F)cn2)c1-c1nc(N)nc2CN(Cc12)C(=O)NCC(C)(F)F |(42.82,-46.29,;44.15,-45.52,;45.48,-46.29,;46.82,-45.52,;48.15,-46.28,;46.81,-43.97,;45.48,-43.21,;45.47,-41.67,;46.8,-40.89,;48.14,-41.66,;49.47,-40.88,;50.87,-41.49,;51.9,-40.35,;53.43,-40.5,;51.12,-39.02,;49.62,-39.34,;44.15,-43.98,;42.82,-43.21,;41.49,-43.98,;40.15,-43.21,;38.82,-43.98,;40.15,-41.67,;41.48,-40.9,;41.8,-39.39,;43.32,-39.23,;43.95,-40.63,;42.82,-41.66,;44.09,-37.89,;43.31,-36.56,;45.63,-37.88,;46.39,-36.55,;47.93,-36.54,;49.47,-36.54,;48.7,-35.2,;48.71,-37.87,)|
Nc1nc2CN(Cc2c(n1)-c1c(Cl)cc(Cl)cc1OCCn1cccn1)C(=O)NC12CC(C1)C2 |(18.48,-15.32,;19.81,-14.55,;19.82,-13.01,;21.14,-12.24,;21.46,-10.74,;22.98,-10.57,;23.61,-11.97,;22.48,-13,;22.48,-14.55,;21.15,-15.33,;23.81,-15.32,;23.81,-16.86,;22.48,-17.63,;25.14,-17.63,;26.48,-16.86,;27.81,-17.62,;26.47,-15.31,;25.14,-14.55,;25.13,-13.01,;26.46,-12.23,;27.8,-13,;29.13,-12.22,;30.53,-12.84,;31.56,-11.69,;30.78,-10.36,;29.28,-10.68,;23.75,-9.23,;22.97,-7.9,;25.29,-9.23,;26.05,-7.89,;27.53,-7.49,;27.13,-6,;25.64,-6.41,;26.11,-6.64,)|
Nc1nc2CN(Cc2c(n1)-c1c(Cl)cc(Cl)cc1OCCn1cccn1)C(=O)NCC(F)(F)F |(-10.3,-27.03,;-8.97,-26.26,;-8.97,-24.72,;-7.64,-23.95,;-7.32,-22.45,;-5.8,-22.28,;-5.17,-23.68,;-6.3,-24.71,;-6.3,-26.26,;-7.64,-27.03,;-4.97,-27.03,;-4.97,-28.57,;-6.31,-29.34,;-3.64,-29.34,;-2.3,-28.57,;-.97,-29.33,;-2.31,-27.02,;-3.65,-26.26,;-3.65,-24.72,;-2.32,-23.94,;-.99,-24.71,;.34,-23.93,;1.75,-24.55,;2.78,-23.4,;2,-22.07,;.5,-22.39,;-5.03,-20.94,;-5.81,-19.61,;-3.49,-20.94,;-2.73,-19.6,;-1.19,-19.59,;-.43,-18.26,;-.41,-20.92,;.29,-19.19,)|
CC(F)(F)CNC(=O)N1Cc2nc(N)nc(c2C1)-c1c(Cl)cc(Cl)cc1OCCn1cccn1 |(6.7,-3.68,;7.3,-2.61,;7.93,-3.67,;8.54,-2.59,;6.52,-1.28,;4.98,-1.29,;4.2,.03,;4.8,1.11,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-3.45,-1.38,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;-1.02,3.09,;-2.36,3.86,;-3.43,3.24,;-2.37,5.4,;-1.04,6.17,;-1.04,7.41,;.3,5.41,;.31,3.87,;1.64,3.11,;2.97,3.88,;4.31,3.12,;5.64,3.9,;5.77,5.42,;7.28,5.75,;8.06,4.42,;7.04,3.27,)|
Nc1nc2CN(Cc2c(n1)-c1c(Cl)cc(Cl)cc1OCCn1cc(F)cn1)C(=O)NCC(F)(F)F |(-.23,-41.95,;1.11,-41.19,;1.11,-39.64,;2.44,-38.87,;2.75,-37.37,;4.28,-37.2,;4.91,-38.6,;3.77,-39.63,;3.78,-41.18,;2.44,-41.96,;5.1,-41.95,;5.1,-43.49,;3.77,-44.26,;6.44,-44.26,;7.77,-43.49,;9.11,-44.26,;7.76,-41.94,;6.43,-41.18,;6.42,-39.64,;7.75,-38.86,;9.09,-39.63,;10.42,-38.85,;11.83,-39.47,;12.85,-38.32,;14.39,-38.47,;12.08,-36.99,;10.57,-37.32,;5.04,-35.86,;4.27,-34.53,;6.58,-35.86,;7.35,-34.52,;8.89,-34.51,;9.65,-33.18,;9.66,-35.84,;10.42,-34.51,)|
Cc1cc(Cl)cc(OCCn2cc(F)cn2)c1-c1nc(N)nc2CN(Cc12)C(=O)NCC(F)(F)F |(16.66,-44.44,;18,-43.67,;19.33,-44.44,;20.66,-43.67,;22,-44.43,;20.66,-42.12,;19.32,-41.36,;19.32,-39.82,;20.65,-39.04,;21.98,-39.81,;23.31,-39.03,;24.72,-39.65,;25.75,-38.5,;27.28,-38.65,;24.97,-37.17,;23.47,-37.5,;18,-42.13,;16.67,-41.36,;15.33,-42.14,;14,-41.37,;12.67,-42.13,;14,-39.82,;15.33,-39.05,;15.64,-37.55,;17.17,-37.38,;17.8,-38.78,;16.66,-39.81,;17.94,-36.04,;17.16,-34.71,;19.48,-36.04,;20.24,-34.7,;21.78,-34.69,;22.54,-33.36,;22.55,-36.02,;23.32,-34.69,)|
CC(F)(F)CNC(=O)N1Cc2nc(N)nc(c2C1)-c1c(Cl)cc(Cl)cc1OCCn1cc(F)cn1 |(36.39,-35.02,;34.85,-35.02,;35.61,-33.69,;35.62,-36.35,;33.31,-35.03,;32.54,-36.37,;31,-36.37,;30.23,-35.04,;30.24,-37.71,;28.71,-37.88,;28.4,-39.38,;27.07,-40.15,;27.07,-41.69,;25.74,-42.46,;28.4,-42.46,;29.74,-41.69,;29.73,-40.14,;30.87,-39.11,;31.07,-42.46,;31.07,-44,;29.73,-44.77,;32.4,-44.77,;33.73,-44,;35.07,-44.76,;33.73,-42.45,;32.39,-41.69,;32.39,-40.15,;33.72,-39.37,;35.05,-40.14,;36.38,-39.36,;37.79,-39.98,;38.82,-38.83,;40.35,-38.98,;38.04,-37.5,;36.54,-37.82,)|
CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1 |r|
CS(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1ccccc1
C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 |r|
Cn1nc(ccc1=O)-c1ccc(cc1)C(=O)N1CCC[C@H]1CN1CCCC1 |r|
C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(n1)-c1ncccn1 |r|
C[C@@H]1CCCN1CCCOc1ccc(cc1F)-c1ccc(=O)n(C)n1 |r|
C[C@H](COc1ccc(cc1)-c1ccc(=O)n(C)n1)CN1CCC[C@H]1C |r|
CC(C)n1nc(-c2ccc(OCCCN3CCC[C@H]3C)cc2)c2sccc2c1=O |r|
C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1nn(C)c(=O)c2CCCc12 |r|
Cn1nc(c2CCCc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NN(C)C(=O)C2CCCC12 |r,t:18|
CN1N=C(C2CCCC2C1=O)c1ccc(OCCCN2CCCCC2)cc1 |c:2|
C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1nn(C)c(=O)c2CCCCc12 |r|
Cn1nc(-c2ccc(OCCCN3CCCCC3)cc2)c2CCCCc2c1=O
Cn1nc(-c2ccc(OCCCN3CCCCC3)cc2)c2ccccc2c1=O
CN1CCC(=CC1)c1c[nH]c2cc(ccc12)N=C(N)c1cccs1 |w:16.18,c:4|
NC(=Nc1ccc2c(c[nH]c2c1)C1CN2CCC1CC2)c1cccs1 |w:2.2,TLB:7:12:16.15:18.19,(3.62,-8.6,;3.61,-10.14,;4.95,-10.91,;6.29,-10.14,;6.28,-8.61,;7.61,-7.84,;8.95,-8.61,;10.42,-8.14,;11.31,-9.4,;10.4,-10.64,;8.94,-10.15,;7.61,-10.92,;10.91,-6.69,;10.72,-5.3,;12.18,-4.66,;13.53,-5.26,;13.81,-6.67,;12.44,-6.03,;12.7,-4.13,;12.25,-3.02,;2.28,-10.9,;1.79,-12.37,;.25,-12.36,;-.22,-10.89,;1.03,-9.99,)|
Cc1nc2c(OC(F)F)cccc2n1-c1ccc(s1)C(=O)NC1CC1
Cc1nc2c(cccc2n1-c1ccc(s1)C(=O)NC1CC1)C#N
CN(C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Cc1cc2c(cc1F)n(c(c2C3=CC=CNC3=O)C(=O)NS(=O)(=O)C4CC4)Cc5cc(ccc5F)F
Nc1cncc(Nc2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)n1
Cc1cc(cc(C)c1C#CC(C)(C)CC(O)=O)N1CCOc2ncnc(N)c2C1=O
CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCc2cc(Cl)ccc12 |r,wU:8.7,wD:11.14,(11.13,-18.2,;9.8,-17.43,;9.8,-15.89,;8.46,-18.19,;9.22,-19.52,;7.69,-19.52,;7.13,-17.43,;5.8,-18.19,;4.46,-17.42,;3.13,-18.19,;1.8,-17.42,;1.8,-15.88,;3.13,-15.1,;4.46,-15.88,;.47,-15.12,;-.86,-15.89,;-.86,-17.43,;-2.2,-15.12,;-3.53,-15.9,;-3.69,-17.43,;-5.2,-17.75,;-5.97,-16.42,;-7.47,-16.11,;-7.95,-14.65,;-9.46,-14.34,;-6.92,-13.5,;-5.42,-13.82,;-4.94,-15.28,)|
CC(=O)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
CS(=O)(=O)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
O=S(=O)(C1CC1)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
CC(C)C(=O)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
O=C(C1CC1)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
Oc1ccc2nc([nH]c2c1CN1CCCCC1)-c1ccccc1
C(N1CCCCC1)c1cccc2nc([nH]c12)-c1ccccc1
Fc1ccc2nc([nH]c2c1CN1CCCC1)-c1ccccc1
COc1ccc(-c2nc(C(=O)NCc3ccc(F)cc3F)c(o2)[C@H](C)N)c2ccc(nc12)C(F)(F)F |r|
COc1ccncc1C(=O)NC(=O)Nc1ccc(-c2ccccc2)c(c1)C(F)(F)F
Fc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@@H](Cc4ccccc4)CN3C(=O)Cc3cnc[nH]3)cc2)cc1 |r|
Fc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@H](CN3C(=O)Cc3cnc[nH]3)c3ccccc3)cc2)cc1 |r|
Fc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@@H](Cc4ccccc4)CN3C(=O)Cn3cncn3)cc2)cc1 |r|
Fc1ccc(C[C@@H]2C[C@H](N(C2)C(=O)Cn2cncn2)C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)cc1 |r|
Fc1ccc(C[C@H]2C[C@H](N(C2)C(=O)Cn2cncn2)C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)cc1 |r|
Fc1ccc(C[C@@H]2C[C@H](N(C2)C(=O)Cn2ccnn2)C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)cc1 |r|
Fc1ccc(C[C@@H]2C[C@H](N(C2)C(=O)Cn2nccn2)C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)cc1 |r|
COc1ccc2nc(SCc3ccc(cc3)C(O)=O)[nH]c2c1
CCSc1nc2ccc(OC)cc2[nH]1
CCCSc1nc2ccc(OC)cc2[nH]1
CCCCSc1nc2ccc(OC)cc2[nH]1
CCCCCSc1nc2ccc(OC)cc2[nH]1
CCCCCCSc1nc2ccc(OC)cc2[nH]1
CCCCCCCSc1nc2ccc(OC)cc2[nH]1
COc1ccc2nc(SCC(C)C)[nH]c2c1
COc1ccc2nc(SCC(C)(C)C)[nH]c2c1
COc1ccc2nc(SCC3CC3)[nH]c2c1
COc1ccc2nc(SCC3CCCCC3)[nH]c2c1
COc1ccc2nc(SCCCO)[nH]c2c1
COc1ccc2nc(SCCCC(O)=O)[nH]c2c1
COc1ccc2nc(SCc3ccccc3)[nH]c2c1
COc1ccc2nc(SCc3ccc(C)cc3)[nH]c2c1
COc1ccc2nc(SCc3ccc(cc3)C(C)C)[nH]c2c1
COc1ccc2nc(SCc3ccc(cc3)C(C)(C)C)[nH]c2c1
COc1ccc2nc(SCc3ccc(Cl)cc3)[nH]c2c1
COc1ccc2nc(SCc3ccc(Br)cc3)[nH]c2c1
COc1ccc2nc(SCc3ccc(I)cc3)[nH]c2c1
COc1ccc2nc(SCc3cc(OC)cc(OC)c3)[nH]c2c1
COc1ccc2nc(SCc3cccc(c3)-c3ccccc3)[nH]c2c1
COc1ccc2nc(SCc3ccc4ccccc4c3)[nH]c2c1
COc1ccc2nc(SCc3ccc4ccccc4n3)[nH]c2c1
COc1ccc2nc(SCc3cccc(Oc4ccccc4)c3)[nH]c2c1
COc1ccc2nc(SCc3ccc(OCc4ccccc4)cc3)[nH]c2c1
COc1ccc2nc(SCc3ccccn3)[nH]c2c1
CCOc1ccc2nc(SCc3ccccn3)[nH]c2c1
C(Sc1nc2ccccc2[nH]1)c1ccccn1
Cc1ccc2nc(SCc3ccccn3)[nH]c2c1
FC(F)Oc1ccc2nc(SCc3ccccn3)[nH]c2c1
Nc1ccc2nc(SCc3ccccn3)[nH]c2c1
COc1ccc(cc1)-n1c(C)nnc1SCc1nc(no1)-c1ccc(OC)c(OC)c1
COc1ccc(cc1)-c1noc(CSc2nnc(C)n2-c2ccc(OC)cc2)n1
Fc1ccc(cc1)-c1nnc(SCc2nc(no2)-c2ccccc2)n1-c1ccccc1
COc1ccc(cc1)-n1c(SCc2nc(no2)-c2ccc(C)cc2)nnc1-c1ccncc1
c1cc(ccc1c2nc3c(c(n2)O)CSCC3)C(F)(F)F
COc1cc2c3n(C(C)c4ccccc4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |(-7.28,-41.44,;-7.28,-42.98,;-5.94,-43.75,;-4.62,-42.98,;-3.28,-43.74,;-1.95,-42.97,;-1.65,-41.47,;-2.42,-40.14,;-3.96,-40.14,;-1.65,-38.8,;-.11,-38.81,;.66,-37.48,;-.11,-36.14,;-1.66,-36.14,;-2.42,-37.48,;-.13,-41.29,;.63,-39.95,;.51,-42.69,;-.62,-43.72,;-.61,-45.28,;-1.94,-46.05,;-3.28,-45.29,;-4.61,-46.07,;-5.95,-45.29,;-7.28,-46.06,;-7.32,-47.61,;-6.09,-48.54,;-8.79,-48.05,;-9.67,-46.79,;-8.74,-45.56,;-9.19,-44.09,)|
Cc1noc(C)c1-c1ccc2c(Nc3ccccc3)c(cnc2c1)C(N)=O
Cc1noc(C)c1-c1ccc2c(Nc3ccccc3)c(cnc2c1)C(O)=O
Cc1noc(C)c1-c1ccc2c(Nc3ccccc3C(C)(C)C)c(cnc2c1)C(N)=O
Cc1noc(C)c1-c1ccc2c(Nc3ccccc3C(C)(C)C)c(cnc2c1)C(O)=O
COc1cc2c(Nc3ccccc3F)c(cnc2cc1-c1c(C)noc1C)C(N)=O |(8.28,-47.02,;8.28,-48.56,;9.62,-49.33,;10.95,-48.56,;12.28,-49.32,;13.61,-48.55,;13.6,-47.01,;12.26,-46.24,;10.95,-47.02,;9.61,-46.27,;9.6,-44.72,;10.93,-43.94,;12.26,-44.71,;13.6,-43.93,;14.95,-49.31,;14.95,-50.86,;13.62,-51.63,;12.28,-50.86,;10.95,-51.64,;9.62,-50.87,;8.28,-51.64,;8.25,-53.18,;9.47,-54.11,;6.77,-53.63,;5.89,-52.36,;6.83,-51.14,;6.38,-49.66,;16.27,-48.53,;17.61,-49.29,;16.26,-46.99,)|
COc1cc2c(Nc3ccccc3C(C)(C)C)c(cnc2cc1-c1c(C)noc1C)C(N)=O |(23.31,-46.88,;23.31,-48.42,;24.65,-49.19,;25.97,-48.42,;27.31,-49.18,;28.64,-48.41,;28.63,-46.87,;27.29,-46.1,;25.97,-46.88,;24.64,-46.13,;24.62,-44.58,;25.96,-43.8,;27.29,-44.57,;28.62,-43.79,;29.96,-44.56,;28.62,-42.25,;29.95,-43.01,;29.97,-49.17,;29.98,-50.72,;28.65,-51.49,;27.31,-50.72,;25.98,-51.5,;24.64,-50.73,;23.31,-51.5,;23.27,-53.04,;24.5,-53.97,;21.8,-53.49,;20.92,-52.22,;21.85,-51,;21.4,-49.52,;31.3,-48.39,;32.64,-49.15,;31.29,-46.85,)|
COc1cc2c(Nc3ccccc3CCN3CCOCC3)c(cnc2cc1-c1c(C)noc1C)C(N)=O |(-7.39,1.64,;-7.39,.1,;-6.05,-.67,;-4.72,.1,;-3.39,-.66,;-2.06,.11,;-2.07,1.65,;-3.41,2.41,;-4.72,1.63,;-6.06,2.39,;-6.07,3.94,;-4.74,4.71,;-3.41,3.95,;-2.07,4.72,;-.74,3.96,;.59,4.73,;1.93,3.95,;3.26,4.72,;3.27,6.26,;1.93,7.03,;.59,6.26,;-.73,-.65,;-.72,-2.2,;-2.05,-2.97,;-3.39,-2.21,;-4.72,-2.98,;-6.06,-2.21,;-7.39,-2.98,;-7.42,-4.52,;-6.2,-5.46,;-8.9,-4.97,;-9.78,-3.71,;-8.85,-2.48,;-9.29,-1.01,;.6,.13,;1.94,-.63,;.59,1.67,)|
COc1cc2c(Nc3ccccc3C(=O)c3ccccn3)c(cnc2cc1-c1c(C)noc1C)C(N)=O |(7.23,1.46,;7.23,-.08,;8.56,-.85,;9.89,-.08,;11.22,-.84,;12.55,-.07,;12.54,1.47,;11.21,2.24,;9.89,1.45,;8.55,2.21,;8.54,3.76,;9.87,4.53,;11.21,3.77,;12.54,4.54,;13.87,3.78,;12.54,6.08,;11.2,6.84,;11.19,8.39,;12.53,9.17,;13.87,8.39,;13.87,6.85,;13.89,-.83,;13.9,-2.38,;12.56,-3.15,;11.23,-2.38,;9.89,-3.16,;8.56,-2.39,;7.22,-3.16,;7.19,-4.7,;8.42,-5.63,;5.72,-5.15,;4.84,-3.88,;5.77,-2.66,;5.32,-1.18,;15.22,-.05,;16.55,-.81,;15.21,1.49,)|
COc1cc2c(Nc3ccccc3N3CCOCC3)c(cnc2cc1-c1c(C)noc1C)C(N)=O |(9.05,-12.9,;9.05,-14.44,;10.38,-15.21,;11.71,-14.43,;13.04,-15.2,;14.37,-14.43,;14.36,-12.89,;13.03,-12.12,;11.71,-12.9,;10.37,-12.15,;10.36,-10.6,;11.69,-9.82,;13.03,-10.59,;14.36,-9.81,;15.69,-10.58,;17.02,-9.82,;17.02,-8.28,;15.69,-7.51,;14.35,-8.27,;15.71,-15.19,;15.72,-16.74,;14.38,-17.51,;13.05,-16.74,;11.71,-17.52,;10.38,-16.75,;9.04,-17.52,;9.01,-19.06,;10.24,-19.99,;7.54,-19.51,;6.66,-18.24,;7.59,-17.02,;7.14,-15.54,;17.04,-14.41,;18.37,-15.17,;17.03,-12.87,)|
COc1cc2c(Nc3ccccc3C(=O)N3CCCCC3)c(cnc2cc1-c1c(C)noc1C)C(N)=O |(24.43,-12.31,;24.43,-13.85,;25.77,-14.62,;27.09,-13.85,;28.43,-14.62,;29.76,-13.84,;29.75,-12.3,;28.41,-11.54,;27.09,-12.32,;25.76,-11.56,;25.74,-10.02,;27.08,-9.24,;28.41,-10,;29.74,-9.23,;31.07,-10,;29.74,-7.69,;31.08,-6.93,;31.08,-5.39,;29.75,-4.62,;28.41,-5.38,;28.41,-6.93,;31.09,-14.6,;31.1,-16.15,;29.77,-16.93,;28.43,-16.16,;27.1,-16.94,;25.76,-16.17,;24.43,-16.93,;24.39,-18.48,;25.62,-19.41,;22.92,-18.92,;22.04,-17.66,;22.97,-16.43,;22.52,-14.96,;32.42,-13.82,;33.76,-14.59,;32.41,-12.28,)|
COc1cc2c(Nc3cccc4cccnc34)c(cnc2cc1-c1c(C)noc1C)C(N)=O |(39.67,-12.44,;39.67,-13.98,;41,-14.75,;42.33,-13.98,;43.67,-14.75,;44.99,-13.97,;44.98,-12.43,;43.65,-11.67,;42.33,-12.45,;40.99,-11.7,;40.98,-10.15,;42.31,-9.37,;42.3,-7.85,;43.62,-7.07,;44.96,-7.83,;44.97,-9.37,;43.64,-10.14,;46.33,-14.73,;46.34,-16.28,;45,-17.06,;43.67,-16.29,;42.33,-17.07,;41,-16.3,;39.67,-17.07,;39.63,-18.61,;40.86,-19.54,;38.16,-19.06,;37.28,-17.79,;38.21,-16.56,;37.76,-15.09,;47.66,-13.96,;49,-14.72,;47.65,-12.42,)|
COc1cc2c3n(-c4ccccc4C(C)(C)C)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |(4.94,-26.84,;4.94,-28.38,;6.27,-29.15,;7.6,-28.38,;8.94,-29.14,;10.26,-28.37,;10.57,-26.87,;9.8,-25.54,;8.27,-25.55,;7.49,-24.22,;8.26,-22.87,;9.81,-22.88,;10.57,-24.21,;12.11,-24.21,;12.1,-22.67,;13.6,-24.61,;13.44,-23.43,;12.09,-26.7,;12.85,-25.35,;12.73,-28.09,;11.6,-29.13,;11.61,-30.68,;10.27,-31.45,;8.94,-30.69,;7.61,-31.47,;6.27,-30.7,;4.94,-31.46,;4.9,-33.01,;6.13,-33.94,;3.43,-33.45,;2.55,-32.19,;3.48,-30.96,;3.03,-29.49,)|
COc1cc2c3n(-c4ccccc4OC(F)(F)F)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |(17.24,-27.14,;17.24,-28.68,;18.57,-29.45,;19.9,-28.68,;21.23,-29.44,;22.56,-28.67,;22.87,-27.17,;22.1,-25.83,;20.56,-25.84,;19.79,-24.51,;20.56,-23.17,;22.1,-23.17,;22.87,-24.5,;24.41,-24.51,;25.18,-23.18,;26.72,-23.18,;24.42,-21.84,;25.94,-21.83,;24.39,-26.99,;25.15,-25.65,;25.03,-28.39,;23.9,-29.42,;23.91,-30.98,;22.57,-31.75,;21.24,-30.98,;19.9,-31.76,;18.57,-30.99,;17.23,-31.76,;17.2,-33.3,;18.43,-34.23,;15.73,-33.75,;14.85,-32.48,;15.78,-31.26,;15.33,-29.78,)|
COc1cc2c3n(Cc4ccccc4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |(31.17,-25.51,;31.17,-27.05,;32.5,-27.82,;33.83,-27.05,;35.16,-27.81,;36.49,-27.04,;36.8,-25.54,;36.03,-24.21,;36.8,-22.87,;38.33,-22.88,;39.1,-21.55,;38.33,-20.21,;36.78,-20.22,;36.02,-21.55,;38.32,-25.37,;39.08,-24.02,;38.96,-26.76,;37.83,-27.8,;37.84,-29.35,;36.5,-30.12,;35.17,-29.36,;33.83,-30.14,;32.5,-29.37,;31.16,-30.13,;31.13,-31.68,;32.36,-32.61,;29.66,-32.12,;28.78,-30.86,;29.71,-29.63,;29.26,-28.16,)|
COc1cc2c3n(Cc4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |(44.75,-24.87,;44.75,-26.41,;46.08,-27.18,;47.41,-26.4,;48.74,-27.17,;50.07,-26.4,;50.38,-24.89,;49.61,-23.56,;50.38,-22.23,;49.6,-20.9,;50.36,-19.57,;51.91,-19.57,;52.68,-20.9,;51.91,-22.23,;51.9,-24.72,;52.66,-23.38,;52.54,-26.11,;51.41,-27.15,;51.42,-28.71,;50.08,-29.48,;48.75,-28.71,;47.41,-29.49,;46.08,-28.72,;44.74,-29.49,;44.71,-31.03,;45.94,-31.96,;43.24,-31.48,;42.36,-30.21,;43.29,-28.99,;42.84,-27.51,)|
COc1cc2c3n([C@H](C)c4ccccc4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |r,wD:7.7,(3.4,-41.04,;3.4,-42.58,;4.73,-43.35,;6.06,-42.58,;7.4,-43.35,;8.72,-42.57,;9.03,-41.07,;8.26,-39.74,;6.72,-39.74,;9.03,-38.41,;10.56,-38.41,;11.34,-37.08,;10.57,-35.74,;9.02,-35.75,;8.25,-37.08,;10.55,-40.9,;11.31,-39.56,;11.19,-42.29,;10.06,-43.33,;10.07,-44.88,;8.73,-45.66,;7.4,-44.89,;6.07,-45.67,;4.73,-44.9,;3.4,-45.67,;3.36,-47.21,;4.59,-48.14,;1.89,-47.65,;1.01,-46.39,;1.94,-45.16,;1.49,-43.69,)|
CC[C@H](c1ccccc1)n1c2c(cnc3cc(-c4c(C)noc4C)c(OC)cc23)[nH]c1=O |r,wD:2.9,(32.31,-39.16,;33.08,-40.49,;34.62,-40.49,;35.39,-39.16,;36.92,-39.16,;37.69,-37.83,;36.92,-36.5,;35.38,-36.5,;34.61,-37.83,;35.39,-41.83,;35.08,-43.33,;36.42,-44.08,;36.43,-45.64,;35.09,-46.41,;33.76,-45.64,;32.43,-46.42,;31.09,-45.65,;29.76,-46.42,;29.72,-47.96,;30.95,-48.89,;28.25,-48.41,;27.37,-47.14,;28.3,-45.92,;27.85,-44.44,;31.09,-44.11,;29.76,-43.34,;29.76,-41.8,;32.42,-43.34,;33.76,-44.1,;37.55,-43.05,;36.91,-41.65,;37.67,-40.31,)|
COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |r,wD:7.7,(46.55,-39.62,;46.55,-41.16,;47.89,-41.93,;49.21,-41.16,;50.55,-41.92,;51.88,-41.15,;52.18,-39.65,;51.41,-38.32,;49.87,-38.32,;52.18,-36.98,;51.41,-35.66,;52.17,-34.32,;53.72,-34.32,;54.49,-35.66,;53.72,-36.99,;53.7,-39.47,;54.46,-38.13,;54.34,-40.87,;53.21,-41.9,;53.22,-43.46,;51.89,-44.23,;50.55,-43.47,;49.22,-44.25,;47.88,-43.47,;46.55,-44.24,;46.51,-45.79,;47.74,-46.72,;45.04,-46.23,;44.16,-44.97,;45.09,-43.74,;44.64,-42.27,)|
COc1nc(ccc1-n1cnc(C)c1)C(=O)N[C@H]1COc2ccc(Cl)c(F)c12 |r|
O[C@@]1(CCNC[C@@H]1c1onc(c1Br)-c1cccc2ccccc12)c1ccc(F)c(F)c1 |r|
COC[C@H](C)COCc1ccc(cc1)[C@@]1(O)CCNC[C@@H]1c1noc(c1Br)-c1ccccc1CCNC(C)=O |r|
CC(=O)NCCc1ccccc1-c1ccc([C@H]2CNCC[C@@H]2c2ccc(F)c(F)c2)c(Cl)c1 |r|
O[C@@]1(CCNC[C@@H]1c1cc(no1)-c1ccc(F)cc1Br)c1ccc(F)c(F)c1 |r|
O[C@@]1(CCNC[C@@H]1c1cc(no1)-c1c(Cl)cccc1Cl)c1ccc(F)c(F)c1 |r|
O[C@@]1(CCNC[C@@H]1c1cc(no1)-c1ccc(F)cc1Cl)c1ccc(F)c(F)c1 |r|
O[C@@]1(CCNC[C@@H]1c1onc(c1Br)-c1ccccc1Cl)c1ccc(F)c(F)c1 |r|
O[C@@]1(CCNC[C@@H]1c1onc(c1Br)-c1cccc(Cl)c1Cl)c1ccc(F)c(F)c1 |r|
Cc1cccc(-c2noc([C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)c2Br)c1C |r|
O[C@@]1(CCNC[C@@H]1c1onc(c1Br)-c1c(Cl)cccc1Cl)c1ccc(F)c(F)c1 |r,wU:1.0,6.7,(-7.87,-30.01,;-6.37,-30.42,;-7.7,-31.2,;-7.7,-32.74,;-6.37,-33.5,;-5.04,-32.74,;-5.04,-31.2,;-3.83,-30.25,;-3.87,-28.71,;-2.43,-28.19,;-1.48,-29.4,;-2.34,-30.68,;-1.82,-32.12,;.06,-29.35,;.78,-27.99,;-.04,-26.69,;2.31,-27.93,;3.14,-29.25,;2.41,-30.6,;.87,-30.66,;.15,-32.01,;-6.37,-28.88,;-7.7,-28.12,;-7.71,-26.58,;-6.37,-25.8,;-6.37,-24.26,;-5.03,-26.57,;-3.7,-25.8,;-5.03,-28.11,)|
CC(=O)NCCc1ccccc1-c1noc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c1Br |r|
CC(=O)NCCc1ccccc1-c1onc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c1Br |r|
O[C@@]1(CCNC[C@@H]1c1cc(on1)-c1c(Cl)cccc1Cl)c1ccc(F)c(F)c1 |r|
CC(=O)NCCc1cc(F)ccc1-c1onc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c1Br |r|
CC(=O)NCCc1ccccc1-c1cc(no1)[C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1 |r|
CC(=O)NCCc1ccccc1-c1onc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c1Cl |r|
CC(=O)NCCc1ccccc1-c1onc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c1C(C)=O |r|
CC(O)c1c(noc1-c1ccccc1CCNC(C)=O)[C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1 |r|
CC(=O)NCCc1ccccc1-c1onc([C@H]2CNCC[C@@H]2c2ccc(F)c(F)c2)c1Br |r|
CO[C@@]1(CCNC[C@@H]1c1noc(c1Br)-c1ccccc1CCNC(C)=O)c1ccc(F)c(F)c1 |r|
CC(=O)NCCc1ccccc1-c1onc([C@H]2CNCC[C@]2(C(N)=O)c2ccc(F)c(F)c2)c1Br |r|
CC(=O)NCCc1ccccc1-c1onc([C@H]2CNCC[C@]2(OCC(O)CO)c2ccc(F)c(F)c2)c1Br |r|
COc1ccc2c(Oc3ccc(CC(=O)Nc4cn(C)nc4C)c(OC)c3)ccnc2c1
CCOc1cc2nccc(Oc3cnc(CC(=O)Nc4[nH]nc(CC)c4C)c(OC)c3)c2cc1OC
COc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCN2CCCCC2)o1
CCn1ncc2C[C@@H](CCc12)Nc1nc2c(cccn2n1)-c1ccc(F)cc1C |r|
Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCOCC3)o2)c(F)c1
CNC[C@H](C[C@H]1CCCOC1)NC(=O)N1CCC[C@H](C1)[C@@H](OCCNC(=O)OC)c1cccc(Cl)c1 |r|
CNC[C@H](CC1CCOCC1)NC(=O)N1CCC[C@H](C1)[C@@H](OCCNC(=O)OC)c1cccc(Cl)c1 |r|
CNC[C@@H](NC(=O)N1CCC[C@H](C1)[C@@H](OCCNC(=O)OC)c1cccc(Cl)c1)[C@@H](O)C1CCCCC1 |r|
CN[C@@H](C[C@H]1CCCOC1)CNC(=O)N2CCC[C@H](C2)[C@H](c3cccc(c3)Cl)OCCNC(=O)OC
COCCCC[C@](O)([C@@H]1CCCN(C1)C(=O)NC[C@@H](N)CC1CCCCC1)c1cccc(Cl)c1F |r|
CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@H](OCCNC(=O)OC)c1cccc(Cl)c1 |r|
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
Cc1[nH]nc(C(O)=O)c1Cc1cccc(c1)-c1ccc(F)cc1
Cc1[nH]nc(C(O)=O)c1Cc1cc2ccccc2s1
Cc1cccc(c1)C(CC[C@@H](C(=O)O)N)(c2ccccc2)c3ccccc3
Cc1cccc(c1)C(CC[C@H](C(=O)O)N)(c2ccccc2)c3ccccc3
Cc1cccc(c1)C(CCCN)(c1ccccc1)c1ccccc1
Cc1ccc(cc1)C(=O)N(CCCN)[C@@H](C2=Nc3cc(ccc3C(=O)N2Cc4ccccc4)Cl)C(C)C
O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc(cn1)-c1ncccn1 |r,wU:4.7,wD:8.8,1.0,(25.05,5.32,;26.39,4.55,;27.72,3.79,;29.05,4.55,;29.05,6.09,;27.72,6.87,;26.39,6.09,;30.38,6.86,;31.72,6.08,;31.73,4.55,;33.2,4.09,;34.1,5.35,;33.17,6.58,;35.42,6.13,;35.41,7.67,;36.76,5.37,;38.09,6.15,;39.43,5.39,;39.44,3.85,;40.76,6.17,;40.74,7.71,;42.06,8.48,;43.41,7.73,;43.42,6.18,;42.09,5.4,;44.76,5.41,;44.77,3.87,;46.09,6.19,;46,4.52,;25.06,3.78,;23.72,4.55,;22.39,3.78,;22.39,2.24,;23.74,1.47,;25.06,2.24,;21.06,1.46,;19.73,2.22,;18.4,1.45,;18.4,-.09,;19.75,-.86,;21.07,-.08,)|
COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC
c1cc2c(cc1Cl)c3c(o2)C(=O)NC(=N3)[C@@H]4CCCN4
C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3cc(=O)n(C)nc-23)c1 |r|
CC(C)C1(OC(O)=NC1=O)c1ccc([nH]c1=O)-c1ccc2ccccc2c1 |c:6|
CCCCC(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1cc(Cl)cc(c1)-c1nnn[nH]1
CCC(=O)N(Cc1cccc(c1)C(F)(F)F)c1cccc(c1)-c1nnn[nH]1
CCC(=O)N(Cc1ccc(cc1)C(F)(F)F)c1cccc(c1)-c1nnn[nH]1
CCC(=O)N(Cc1ccc(cc1)C(F)(F)F)c1cc(F)cc(c1)-c1nnn[nH]1
CCCCC(=O)N(Cc1ccc(cc1)C(F)(F)F)c1cc(F)cc(c1)-c1nnn[nH]1
CCCCC(=O)N(Cc1cccc(OC(F)(F)F)c1)c1cc(F)cc(c1)-c1nnn[nH]1
CCC(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1cc(F)cc(c1)-c1nnn[nH]1
CCCCC(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1cc(F)cc(c1)-c1nnn[nH]1
CC1(CC1)CCCC2=CC(=O)OC3=C2C(=O)NC(=O)N3
CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2ccc(C)nc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r|
Cc1cnc2Nc3ccc(OCCN4CCCC4)c(COC\C=C\CCOc4cc(ccn4)-c1n2)c3 |t:23|
C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3ccc(COC\C=C\COCc1c2)s3 |t:28|
C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3ccc(COC\C=C\COCc1c2)o3 |t:28|
C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3coc(COC\C=C\COCc1c2)c3 |t:28|
CN[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:17.19,wD:5.8,2.1,(11.34,3.76,;9.8,3.77,;9.03,2.44,;7.48,2.45,;6.7,1.12,;7.46,-.2,;9.01,-.22,;9.78,1.1,;6.69,-1.53,;7.6,-2.79,;6.69,-4.04,;5.21,-3.56,;3.88,-4.33,;2.55,-3.56,;2.55,-2.02,;3.88,-1.25,;5.21,-2.01,;1.22,-1.25,;-.12,-2.02,;-.12,-3.56,;-1.45,-1.25,;-1.47,.3,;-2.94,.75,;-3.83,-.51,;-2.9,-1.74,)|
CCN[C@H]1CC[C@H](CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:18.20,wD:6.9,3.2,(9.61,2.88,;8.83,1.56,;7.29,1.57,;6.51,.24,;4.97,.25,;4.18,-1.08,;4.94,-2.41,;6.49,-2.42,;7.27,-1.1,;4.17,-3.74,;5.08,-4.99,;4.17,-6.25,;2.7,-5.77,;1.36,-6.54,;.03,-5.77,;.03,-4.22,;1.36,-3.45,;2.7,-4.22,;-1.3,-3.45,;-2.63,-4.22,;-2.63,-5.76,;-3.97,-3.45,;-3.99,-1.91,;-5.46,-1.46,;-6.34,-2.72,;-5.42,-3.95,)|
CN[C@H]1CCC[C@H](C1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |r,w:17.19|
C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCN(CC1)C(=O)c1ccccc1 |r|
COC(=O)N1CCN(CC(=O)c2ccc(OCCCN3CCC[C@H]3C)cc2)CC1 |r|
C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCC(F)(F)CC1 |r|
O[C@@H]1CCN(Cc2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)C1 |r|
COCn1ncc(cc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r|
C[C@H](COc1ccc(cc1)-c1cn[nH]c(=O)c1)CN1CCC[C@H]1C |r|
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cc1 |r,wU:4.3,wD:7.10,(19.62,-39.47,;18.85,-40.8,;17.31,-40.79,;19.62,-42.14,;21.16,-42.14,;21.93,-40.81,;23.47,-40.82,;24.23,-42.16,;23.46,-43.49,;21.93,-43.48,;25.77,-42.17,;26.55,-40.84,;28.08,-40.85,;28.84,-42.19,;30.38,-42.2,;31.16,-40.87,;30.4,-39.53,;32.71,-40.88,;33.18,-39.41,;34.72,-39.41,;35.19,-40.87,;36.52,-41.64,;37.85,-40.86,;37.84,-39.33,;39.16,-38.55,;40.51,-39.31,;41.84,-38.53,;40.52,-40.85,;41.85,-41.61,;39.19,-41.63,;33.95,-41.78,;28.07,-43.51,;26.54,-43.51,)|
Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl |r|
CN1C(=O)N(Cc2cc(Cl)ccc2F)C(=O)[C@]11C(=O)N(CC(O)=O)c2ccc(Cl)cc12 |r|
OC(=O)C(\O)=C\C(=O)c1cc(Cc2ccc(F)cc2F)cn(Cc2ccccc2F)c1=O
CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)Nc1ccc(cc1)C#N |r|
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1cc(=O)[nH]cn1
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1)-c1cc[nH]n1
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1C)C(O)=O)c1nccnc1C
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccccc1)c1cc(=O)[nH]cn1
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1)C(O)=O
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1cccc(c1)C(O)=O
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccccc1C(O)=O
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1Cl)C(O)=O
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(C(O)=O)c(Cl)c1
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1F)C(O)=O
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1C)C(O)=O
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(C(O)=O)c(C)c1
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)C1CCCCC1)c1cc(=O)[nH]cn1
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)N1CCC1=O)c1cc(=O)[nH]cn1
COCc1nc(no1)-c1ccc(cc1)N1C(=O)N(c2cc(=O)[nH]cn2)C2(CCN(Cc3ncccc3C)CC2)C1=O
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-n1cccn1)c1cc(=O)[nH]cn1
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccno1)c1cc(=O)[nH]cn1
Cc1nc(C)c(s1)-c1ccc(cc1)N1C(=O)N(c2cc(=O)[nH]cn2)C2(CCN(Cc3ncccc3C)CC2)C1=O
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(s1)C(O)=O
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1csc(c1)C(O)=O
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1coc(c1)C(O)=O
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1cnc(=O)[nH]c1)c1cc(=O)[nH]cn1
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)-c1cc[nH]n1)c1cc(=O)[nH]cn1
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)N1CCOCC1)c1cc(=O)[nH]cn1
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1)-c1cc(=O)[nH][nH]1
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc2cn[nH]c2c1
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc2[nH]ncc2c1
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc2nc[nH]c2c1
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc2scnc2c1)c1cc(=O)[nH]cn1
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1)C#N
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1)C(N)=O
CNC(=O)c1ccc(cc1)-c1ccc(cc1)N1C(=O)N(c2cc(OC)ncn2)C2(CCN(Cc3ncccc3C)CC2)C1=O
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1)C(=O)N(C)C
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(nc1)-c1ccc(cc1)C(O)=O
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(nc1)-c1ccc(cc1C)C(O)=O
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(nc1)-c1ccc(cc1C)C(O)=O)c1cc(=O)[nH]cn1
Cc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1C)C(O)=O
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1C)C(O)=O)c1cc(ncn1)C(F)(F)F
Cc1nccc(n1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1C)C(O)=O
COc1nccnc1N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1C)C(O)=O
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1ncccn1
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1C)C(O)=O)c1ncccn1
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1cnccn1
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1C)C(O)=O)c1cnccn1
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(nc1)-c1ccc(cc1C)C(O)=O)c1cnccn1
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1)C(O)=O)c1ccncn1
Cc1cccnc1CN1CCC2(CC1)N(C(=O)N(C2=O)c1ccc(cc1)-c1ccc(cc1C)C(O)=O)c1ccncn1
CN1CCN(CC1)C(=O)c1cn(Cc2cncn2Cc2ccc3OCOc3c2)cc1-c1cccc2ccccc12
NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1
CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)c1 |r|
CC(C)(C)c1ccnc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1 |r|
CC(C)(O)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1 |r|
CC(C)(CO)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1 |r|
CC1(C)OCc2ccc(CN[C@H]3CS(=O)(=O)C[C@@H](Cc4cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c4)[C@@H]3O)cc12 |r|
Nc1c(F)cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(OC(F)(F)F)c3)[C@H]2O)cc1OC(C(F)(F)F)C(F)(F)F |r|
CC(C)(C)Cn1cc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)cn1 |r|
CC(C)(C)Cc1cc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)no1 |r|
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1 |r|
OC(=O)CC1CCn2c1cc1cc(ccc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
COc1ccc(Cc2cccc(c2)[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
CCc1ccc(Cc2cccc(c2)[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
OC[C@H]1C[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cccc(Cc2ccc(cc2)C2CC2)c1 |r|
CCc1ccc(Cc2ccc(OC)c(c2)[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
CCOc1ccc(Cc2ccc(CC)cc2)cc1[C@@H]1C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
CCc1ccc(Cc2cc([C@@H]3C[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2OC)cc1 |r|
CCc1ccc(Cc2cc(c(OC)cc2OC)[C@]2(O)C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c(Cl)[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1nc([nH]c1Cl)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r|
COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c(F)[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1nc([nH]c1F)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r|
COc1ccc(cc1CSc1nc2cc(F)ccc2n1CC(O)=O)C(C)=O
CCCCNC(=O)c1ccc(OC)c(CSc2nc3cc(F)ccc3n2CC(O)=O)c1
COc1ccc(cc1CSc1nc2cc(F)ccc2n1CC(O)=O)C(=O)N1CCc2ccccc12
COc1ccc(cc1CSc1nc2ccccc2n1CC(O)=O)C(C)=O
CN(C(=O)CSc1ccc(nn1)-c1ccccc1)c1nc(C)cs1
Cc1csc(n1)N(C1CC1)C(=O)CSc1ccc(nn1)-c1ccccc1
CC(C)C[C@@H](NC(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)N1CCC(CC1)N1CCCCC1 |r|
Oc1ccc(C[C@@H](NC(=O)N2CCC(CC2)n2c3ccccc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc1 |r|
Oc1c(Br)cc(C[C@@H](NC(=O)N2CCC(CC2)n2c3ccccc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc1Br |r|
O=C(N[C@H](Cc1cccc2ccccc12)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O |r|
O=C(N[C@H](Cc1ccc2ccccc2c1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O |r|
O=C(N[C@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O |r|
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O |r|
Cn1cc(C[C@@H](NC(=O)N2CCC(CC2)n2c3ccccc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCCCC2)c2ccccc12 |r|
O=C(NC(Cc1ccc2[nH]ccc2c1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
O=C(NC(Cc1ccc2[nH]ncc2c1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
O=C(N[C@@H](Cc1ccc2[nH]ncc2c1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)N1Cc2ccccc2NC1=O |r|
O=C(N[C@H](Cc1ccc2[nH]c(=O)oc2c1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)N1Cc2ccccc2NC1=O |r|
O=C(N[C@H](Cc1ccc2NC(=O)Cc2c1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)N1Cc2ccccc2NC1=O |r|
O=C(N[C@H](Cc1ccc2nn[nH]c2c1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)N1Cc2ccccc2NC1=O |r|
O=C(N[C@H](Cc1csc2ccccc12)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O |r|
O=C(N[C@H](Cc1csc2ccccc12)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC2(CC1)NC(=O)Nc1ccccc21 |r|
CCN(C)c1nc2ccc(cc2o1)C(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)CC1CCCCC1 |r|
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2ncoc2c1 |r|
CCN(C)c1nc2ccc(cc2o1)C(=O)N(CCN(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1 |r|
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2nc(N)sc2c1 |r|
CCN(C)c1nc2ccc(cc2o1)C(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1 |r|
CCN(C)c1nc2ccc(cc2o1)C(=O)N(CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1 |r|
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2ncsc2c1 |r|
CCN(C)c1nc2ccc(cc2o1)C(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccc(F)cc1)NC(=O)OCc1cncs1 |r|
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2nc(oc2c1)-c1ccccc1 |r|
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2nc(oc2c1)-c1ccncc1 |r|
O[C@H](CN(CC1CCCCC1)C(=O)c1ccc2nc(oc2c1)N1CCCC1)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1 |r|
CC(C)(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2nc(oc2c1)N1CCCC1 |r|
CCNc1nc2ccc(cc2o1)C(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1 |r|
O[C@H](CN(CC1CCC(F)(F)CC1)C(=O)c1ccc2nc(oc2c1)N1CCCC1)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1 |r|
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2nc(oc2c1)N(C)CC#C |r|
CCN(C)c1nc2ccc(cc2o1)C(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1 |r|
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2nc(NCCCn3ccnc3)oc2c1 |r|
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2nc(oc2c1)N1CCCC1 |r|
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2nc(oc2c1)C(C)C |r|
CCN(C)c1nc2ccc(cc2o1)C(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)CC(C)(C)C |r|
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2nc(oc2c1)N1CCOCC1 |r|
O[C@H](CN(CC#C)C(=O)c1ccc2nc(NCC#C)oc2c1)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1 |r|
CCc1nc2ccc(cc2o1)C(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1 |r|
O[C@H](CN(CC#C)C(=O)c1ccc2nc(oc2c1)N1CCCC1)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1 |r|
CNc1nc2ccc(cc2o1)C(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1 |r|
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2nc(N)oc2c1 |r|
CCN(C)c1nc2ccc(cc2o1)C(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccc2OCOc2c1 |r|
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2nc(C)oc2c1 |r|
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2nc(oc2c1)N(C)C |r|
CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2nc(oc2c1)N1CCCC1 |r|
CCN(C)c1nc2ccc(cc2o1)C(=O)N(CC(C)C)C[C@H](O)[C@H](Cc1cccnc1)NC(=O)OCc1cncs1 |r|
CCN(C)c1nc2ccc(cc2o1)C(=O)N(CC)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1 |r|
CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2nc(oc2c1)N1CCCC1 |r|
CC(C)CN(C[C@@H](O)[C@H](Cc1cccnc1)NC(=O)OCc1cncs1)C(=O)c1ccc2ncsc2c1 |r|
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2nc(oc2c1)N1CCN(C)CC1 |r|
CCNc1nc2ccc(cc2o1)C(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)CC(C)(C)O |r|
CCN(C)c1nc2ccc(cc2o1)C(=O)N(C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1 |r|
O[C@H](CN(CCN1CCOCC1)C(=O)c1ccc2nc(oc2c1)N1CCCC1)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1 |r|
O[C@H](CN(CCN1CCCC1)C(=O)c1ccc2nc(oc2c1)N1CCCC1)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1 |r|
CCN(C)c1nc2ccc(cc2o1)C(=O)N(CCN1CCOCC1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1 |r|
CCN(C)c1nc2ccc(cc2o1)C(=O)N(CCN1CCCC1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1 |r|
CCN(C)c1nc2ccc(cc2o1)C(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)CC(C)(C)O |r|
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2nc(oc2c1)N(C)CCN(C)C |r|
CCN(C)c1nc2ccc(cc2o1)C(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccncc1 |r|
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2nc(NCCN(C)C)oc2c1 |r|
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2nc(NCCCN(C)C)oc2c1 |r|
CN(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2nc(oc2c1)N1CCCC1 |r|
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(=O)c1ccc2nc(NC3CCN(C)CC3)oc2c1 |r|
C(N1CCOCC1)c1ccc(cc1)C1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3 |TLB:32:31:27.26.25:29,THB:32:26:29:21.30.31,27:26:21:28.29.30,27:28:21:26.25.32,(41.94,-38.08,;42.71,-39.42,;41.93,-40.75,;42.69,-42.09,;44.24,-42.1,;45.02,-40.76,;44.25,-39.41,;40.39,-38.08,;39.61,-39.42,;38.07,-39.41,;37.31,-38.07,;38.08,-36.74,;39.62,-36.74,;35.77,-38.06,;34.99,-39.39,;33.46,-39.39,;32.69,-38.05,;33.46,-36.72,;35,-36.73,;31.92,-39.38,;30.39,-39.38,;29.63,-38.04,;30.39,-36.71,;31.93,-36.72,;28.73,-39.28,;27.39,-38.74,;26.6,-37.56,;24.87,-37.89,;26.34,-38.44,;27.15,-39.72,;27.26,-37.14,;28.84,-36.75,;27.46,-36.35,)|
CCc1c(CCCC(O)=O)cccc1-c1nnc(s1)-c1ccc(OC(C)C)c(c1)C#N
CCc1c(CCN2CCC(CC2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(Cl)c1
CCc1c(CCN2CCC(CC2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(CC(C)C)c(c1)C#N
CCc1c(CCCC(O)=O)cccc1-c1noc(n1)-c1ccc(OC(C)C)c(c1)C#N
CC1(C)N(CCn2c(Nc3ccc(F)cc3)c(nc12)-c1ccc(F)cc1)C(=O)CN
Cn1cc(cn1)-c1ccc(cc1)-c1ccc(cc1)C1=NC2(CC2)C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1 |r,t:21|
Fc1ccc2oc(Cc3nc(cc(=O)[nH]3)N3CCOCC3)nc2c1-c1ccccc1
O=c1cc(nc(Cc2nc3c(cccc3o2)-c2cccs2)[nH]1)N1CCOCC1
O=c1cc(nc(Cc2nc3cccc(-c4ccccc4)c3o2)[nH]1)N1CCOCC1
Fc1ccc2oc(Cc3nc(cc(=O)[nH]3)N3CCOCC3)nc2c1
Cn1c(Cc2nc(cc(=O)[nH]2)N2CCOCC2)nc2cccc(-c3ccccc3)c12
Cn1c(Cc2nc(cc(=O)[nH]2)N2CCOCC2)nc2c(cccc12)-c1ccccc1
O=c1cc(nc(Cc2nc3c(cccc3[nH]2)-c2ccccc2)[nH]1)N1CCOCC1
O=c1cc(nc(Cc2nc3ccccc3n2-c2ccccc2)[nH]1)N1CCOCC1
Fc1ccc2n(C3CC3)c(Cc3nc(cc(=O)[nH]3)N3CCOCC3)nc2c1
CCn1c(Cc2nc(cc(=O)[nH]2)N2CCOCC2)nc2ccccc12
Clc1ccc2nc(Cc3nc(cc(=O)[nH]3)N3CCOCC3)[nH]c2c1
Brc1ccc2nc(Cc3nc(cc(=O)[nH]3)N3CCOCC3)[nH]c2c1
Cn1c(Cc2nc(cc(=O)[nH]2)N2CCOCC2)nc2cc(F)ccc12
Fc1ccc2nc(Cc3nc(cc(=O)[nH]3)N3CCOCC3)[nH]c2c1
Cn1c2ccccc2nc1CC3=NC(=CC(=O)N3)N4CCOCC4
O=c1cc(nc(Cc2nc3ccccc3o2)[nH]1)N1CCOCC1
O=c1cc(nc(Cc2nc3ccccc3n2C2CCCCC2)[nH]1)N1CCOCC1
CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)N3CCC(CC3)N3CCOCC3)nc12
CN1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1
CN1CCC(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1
CC1(C)OCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O
C(N1CCN(Cc2ccccc2)CC1)c1nnc(o1)-c1ccccc1
O=C(NC1CCCCC1)c1nnc(CS(=O)(=O)c2ccccc2)o1
O=C(NC1CCCCC1)c1nc(CS(=O)(=O)c2ccccc2)no1
C1CCC(CC1)c1nnc(o1)-c1ccncc1
C1CCC(CC1)c1nc(no1)-c1ccncc1
O=C(NCc1ccncc1)c1nnc(CS(=O)(=O)c2ccccc2)o1
O=C(NCc1ccncc1)c1nc(CS(=O)(=O)c2ccccc2)no1
Clc1cc(ccn1)-c1nnc(CSc2nnc(-c3ccncc3)n2C2CC2)o1
Clc1cc(ccn1)-c1nc(CSc2nnc(-c3ccncc3)n2C2CC2)no1
C(N1CCN(Cc2ccccc2)CC1)c1nc(no1)-c1ccccc1
Fc1cc(\C=C\c2ccc(cc2)N2CCN(CC2)S(=O)(=O)C(F)(F)F)cc(c1)-c1ccncc1
CC(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(F)cc(c2)-c2ccncc2)cc1
CCS(=O)(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(F)cc(c2)-c2ccncc2)cc1
Cc1cccc(c1)-c1noc(n1)C1CN(C(=O)C1)c1ccc(F)cc1
N[C@@H](CC(=O)N1CCN(CC1)C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCN(CC1)C(=O)c1ccc(F)cc1)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCN(CC1)C(=O)c1ccc(O)cc1)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)C(F)(F)F)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)S(N)(=O)=O)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)C(O)=O)Cc1cc(F)c(F)cc1F |r|
N[C@@H](CC(=O)N1CCN(CC1)C(=O)c1cccc(c1)C(O)=O)Cc1cc(F)c(F)cc1F |r|
CN1CCN(CC1)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cn(ccc1=O)-c1ccccc1
FC(F)(F)CS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(=O)n(c1)-c1ccccc1
FC(F)(F)S(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(=O)n(c1)-c1ccccc1
CC(C)(C)S(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(=O)n(c1)-c1ccccc1
CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(=O)n(c1)-c1ccccc1
CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccnc(c1)-c1ccccc1
CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cncc(c1)-c1ccccc1
CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cc(ccn1)-c1ccccc1
CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(n1)-c1ccccc1
CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(C)c(c1)-c1ccccc1
CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cc(ccc1C)-c1ccccc1
CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(c1C)-c1ccccc1
CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(Cl)c(c1)-c1ccccc1
CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cc(ccc1Cl)-c1ccccc1
CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(-c2ccccc2)c1Cl
CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(F)c(c1)-c1ccccc1
CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cc(ccc1F)-c1ccccc1
CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(-c2ccccc2)c1F
CCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(c1)-c1ccccc1
CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(OC(F)(F)F)c1
CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(c1)C(F)(F)F
CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1ccccc1
CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(c1)-c1ccccc1
CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccccc1-c1ccccc1
CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccccc1
Clc1cccc(CSc2nc3ccc(cc3[nH]2)S(=O)(=O)N2CCOCC2)c1
CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccn(-c2ccccc2)c1=O
CS(=O)(=O)c1ccc2nc(sc2c1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
CC(C)(C#N)c1cnc(s1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r|
O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2cccnc2s1 |r|
O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2ccccc2s1 |r|
OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NCc2cscn2)cc(c1)-c1ccncc1 |r|
Cc1cc(ccn1)-c1c[nH]c(=O)c(NC(=O)[C@H](Cc2ccccc2)NCc2cscn2)c1 |r|
Cn1c2cc(ccc2c2nc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3Cl)c2c1=O)C(O)=O |r|
Cn1cc(nn1)S(=O)(=O)[C@H]1CC[C@](CNC(=O)c2ccc(Cl)cc2Cl)(CC2CC2)CC1 |r,wU:12.13,9.9,wD:12.26,(-1.1,-10.55,;-1.99,-9.3,;-1.5,-7.84,;-2.75,-6.91,;-4,-7.81,;-3.53,-9.28,;-2.73,-5.37,;-1.19,-5.38,;-4.27,-5.37,;-2.8,-3.85,;-4.13,-3.1,;-4.12,-1.55,;-2.79,-.78,;-1.45,-.02,;-.13,-.8,;1.21,-.03,;1.22,1.51,;2.54,-.81,;2.53,-2.35,;3.85,-3.12,;5.19,-2.36,;6.52,-3.14,;5.2,-.81,;3.87,-.04,;3.87,1.5,;-4.13,-.01,;-4.13,1.53,;-3.36,2.87,;-4.9,2.87,;-1.46,-1.56,;-1.46,-3.09,)|
C[C@@H](C(O)=O)c1ccc([C@H](N2CCC(C)CC2)c2ccc(F)cc2)c(c1)-c1ccc(cc1)C(F)(F)F |r|
c1ccc(cc1)CCOc2cccc(c2)Nc3ccccc3C(=O)N
FC1(F)CCC(CC1)C(=O)N1CC(C1)c1nc(no1)-c1cccc(Cl)c1
CC1CCCCC1C(=O)N1CC(C1)c1nc(no1)-c1cccc(F)c1
c1ccc(cc1)NC(=O)CC2=NC(=CC(=O)N2)N3CCOCC3
Fc1ccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)cc1
Clc1cccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c1
COc1cccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c1
Brc1cccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c1
Cc1cc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)ccc1F
Fc1ccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)cc1Cl
COc1cc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)ccc1F
Fc1ccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)cc1Br
Cn1c(CC(=O)Nc2ccc(F)c(Cl)c2)nc(cc1=O)N1CCOCC1
C1CCN(CC1)[C@H]([C@@H](N1CCCCC1)c1ccccc1)c1ccccc1 |r|
C1CCN(CC1)[C@@H]([C@H](N1CCCCC1)c1ccccc1)c1ccccc1 |r|
C1CCN(C1)[C@H]([C@@H](N1CCCC1)c1ccccc1)c1ccccc1 |r|
C1CCN(C1)[C@@H]([C@H](N1CCCC1)c1ccccc1)c1ccccc1 |r|
CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2n1 |t:11|
COc1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccccc2)cc1
CN(C)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccccc2)cc1
O=C(Nc1ccccc1)c1cc(nc2ccccc12)-c1ccccc1
Cc1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccccc2)cc1
COc1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccncc2)cc1
CN(C)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccncc2)cc1
O=C(Nc1ccccc1)c1cc(nc2ccccc12)-c1ccncc1
Cc1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccncc2)cc1
COc1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccccn2)cc1
CN(C)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccccn2)cc1
O=C(Nc1ccccc1)c1cc(nc2ccccc12)-c1ccccn1
Cc1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccccn2)cc1
COc1ccc(NC(=O)c2cc(nc3ccccc23)-c2cnccn2)cc1
CN(C)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2cnccn2)cc1
O=C(Nc1ccccc1)c1cc(nc2ccccc12)-c1cnccn1
Cc1ccc(NC(=O)c2cc(nc3ccccc23)-c2cnccn2)cc1
COc1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccncn2)cc1
CN(C)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccncn2)cc1
O=C(Nc1ccccc1)c1cc(nc2ccccc12)-c1ccncn1
Cc1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccncn2)cc1
O=C(Nc1ccc(cc1C1=CCCCC1)C1CCNCC1)c1ncc([nH]1)C#N |t:10|
O=C(Nc1ccc(cc1C1=CCCCC1)C1CCN(CC1)c1ccccn1)c1ncc([nH]1)C#N |t:10|
O=C(Nc1ccc(cc1C1=CCCCC1)C1CCN(Cc2ccccn2)CC1)c1ncc([nH]1)C#N |t:10|
OCCN1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:28|
CS(=O)(=O)CCN1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
NC(=O)CN1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:29|
O=C(Nc1ccc(cc1C1=CCCCC1)C1CCN(CCN2CCOCC2)CC1)c1ncc([nH]1)C#N |t:10|
CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:28|
O=C(Nc1ccc(cc1C1=CCCCC1)C1CCN(CC1)C(=O)c1cccnc1)c1ncc([nH]1)C#N |t:10|
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
OC[C@@H](O)C(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |r,t:31|
OCCNCC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:32|
CN(CCO)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:33|
[O-][n+]1cccc(c1)C(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:35|
[O-][n+]1ccc(cc1)C(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:35|
Cn1cnc(CC(=O)N2CCC(CC2)c2ccc(NC(=O)c3ncc([nH]3)C#N)c(c2)C2=CCCCC2)c1 |t:33|
O=C(Cc1ccccn1)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:35|
O=C(Cc1ccncc1)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:35|
O=C(CN1CCOCC1)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:35|
CC(C)(N)C(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
OCCNC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]3[C@H]2O\C(=N/CCCSC)N3C)[C@@](C)(C[C@@H](C)C(=O)N[C@H](C)[C@@H](O)[C@]1(C)O)OC |r|
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]3[C@H]2O\C(=N/CCCN(C)C)N3C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC |r|
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]3[C@H]2OC(=Nc2ccc(OC)cc2)N3C)[C@@](C)(C[C@@H](C)C(=O)N[C@H](C)[C@@H](O)[C@]1(C)O)OC |r,w:34.36|
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]3[C@H]2O\C(=N/C(C)(C)C)N3C)[C@@](C)(C[C@@H](C)C(=O)N[C@H](C)[C@@H](O)[C@]1(C)O)OC |r|
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]3[C@H]2O\C(=N/C(C)C)N3C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O |r|
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]3[C@H]2O\C(=N/C(C)C)N3C)[C@@](C)(C[C@@H](C)NC(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC |r|
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]3[C@H]2O\C(=N/C(C)C)N3C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O |r|
CC\N=C1/O[C@@H]2[C@H](C[C@@H](C)O[C@H]2O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)N1C |r|
CC\N=C1/O[C@@H]2[C@H](C[C@@H](C)O[C@H]2O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)N(C)C[C@H](C)C[C@@]2(C)O)N1C |r|
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O |r|
CC\N=C1/O[C@@H]2[C@H](C[C@@H](C)O[C@H]2O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)OC)N1C |r|
Cc1nc2cnc3[nH]ccc3c2n1[C@@H]1CCC[C@@H](O)C1 |r|
COc1ccc2cc(ccc2c1)-c1cc(nn1[C@@H](C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1 |r|
Clc1cccnc1N([C@@H]1CCCNC1)C(=O)c1ccc(cc1)-n1nnc2cccnc12 |r|
Cc1cncc(n1)-c1ccc(cc1)C(=O)N([C@@H]1CCCNC1)c1ncccc1Cl |r|
CN(Cc1cccs1)C(=O)C1(CC1)c1ccc(C)cc1
CN(Cc1cccn1C)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:9:11:14:18.17.16,THB:12:13:16:20.11.19,12:11:14.13.18:16,19:11:14:18.17.16,19:17:14:20.12.11|
CN(Cc1cccs1)C(=O)CC12CC3CC(CC(C3)C1)C2 |TLB:10:11:14:18.17.16,THB:19:11:14:18.17.16,19:17:14:20.12.11,12:13:16:20.11.19,12:11:14.13.18:16|
CN(Cc1cccs1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:8:10:13:17.16.15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10|
Clc1cc(Cl)cc(OCc2cc(=O)[nH][nH]2)c1
NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)C1(CC1)c1ccc(OC(F)(F)F)cc1 |r,TLB:9:8:1.2.7:5.4|
NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(CC1)c1ccc(OC(F)(F)F)cc1 |r,TLB:9:8:1.2.7:5.4|
NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r,TLB:9:8:1.2.7:5.4|
NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r,TLB:9:8:1.2.7:5.4|
NC1CCCC(C1)NC(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r|
NC1CCN(CC1)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r|
OC1CCN(CC1)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r|
CN(C)CCN(C)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r|
CN(C)CCN(C)C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r|
C[C@H]1CN(CCN1)C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r|
C[C@@H]1CN(CCN1)C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r|
CN1CCN(CC1)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r|
CN1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r|
CN1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r|
CN1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r|
CN1CCN(CC1)C(=O)[C@H](COCc1ccccc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r|
CN1CCN(CC1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r|
Fc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2sc(CN3CCN4CCOC[C@H]4C3)cc2n1 |r|
CC(C)(N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2c(F)ccc3[nH]ccc23)CC1)C(N)=O
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3(C)C)C3COC3)cc2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCC(CC3)C(C)(C)O)cc2n1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3)S(C)(=O)=O)cc2n1
Cc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3)C(C)(C)C(N)=O)cc2n1
CN(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-n2c(C)nc3ccccc23)CC1
CN(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2c(F)ccc3[nH]ccc23)CC1
CC(C)(N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cncc3[nH]ccc23)CC1)C(N)=O
CC(C)(N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2nccc3[nH]ccc23)CC1)C(N)=O
Cn1ccc2c(cccc12)-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3)C(C)(C)C(N)=O)cc2n1
CC(C)(N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2c(F)cc(F)c3[nH]ccc23)CC1)C(N)=O
CC(C)(N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cc(cc3[nH]ccc23)C#N)CC1)C(N)=O
CC(C)(N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cc(F)cc3[nH]ccc23)CC1)C(N)=O
CC[C@H](C(=O)Nc1ccccc1N1CCCC1)c1ccccc1 |r|
OCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1
CCOc1cc2N(C)C(=O)CCc2cc1-c1cccnc1
COc1cc2N(C)C(=O)CCc2cc1-c1cccnc1
c1c2cc(c(nc2nc(c1C(=O)N)N)C(F)(F)F)Br
Cc1cc(ccn1)-c1cc(=O)[nH]c(NCc2cccc3ccccc23)n1
COc1cc2CCN(C(=O)Nc3cc(OC(F)(F)F)cc(c3)-c3cccnc3)c2cc1C(F)(F)F
Oc1ccc2nc(NC(=O)c3c(F)ccc(O)c3F)sc2c1
Cc1ccc(cc1O)C(=O)c1nc2ccc(O)cc2s1
Oc1ccc2nc(sc2c1)C(=O)c1ccc(F)c(O)c1
Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1
NC(=N)NC(=O)c1ccc(N2CCN(CC2)C(=O)c2ccc[nH]2)c(c1)C(F)(F)F
NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccncc2)c(c1)C(F)(F)F
CS(=O)(=O)c1cccc(c1)C(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N
CS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N
NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccccc2C#N)c(c1)C(F)(F)F
NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2cccc(c2)C#N)c(c1)C(F)(F)F
NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccc(cc2)C#N)c(c1)C(F)(F)F
NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccc(F)cc2)c(c1)C(F)(F)F
NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccccc2)c(c1)C(F)(F)F
CC(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N
CCC(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N
COCC(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N
NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)C2CC2)c(c1)C(F)(F)F
CC(C)C(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N
CC(C)(C)C(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N
Cn1cncc1C(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N
Cn1ccnc1C(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N
NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccc(cc2)S(N)(=O)=O)c(c1)C(F)(F)F
NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccc(=O)[nH]c2)c(c1)C(F)(F)F
NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccc(cc2)C(N)=O)c(c1)C(F)(F)F
NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccccn2)c(c1)C(F)(F)F
NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2cccnc2)c(c1)C(F)(F)F
COc1cc(ccc1Nc1ncc2c(n1)n(-c1cccc(NC(=O)C=C)c1)c(=O)n(C(C)C)c2=O)N1CCN(C)CC1
COc1cc(nn1-c1ccccc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1C |r|
Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(OCC2CC2)n(n1)-c1ccccc1F |r|
CCOc1cc(nn1-c1ccccc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1C |r|
Cc1ccccc1[C@H](CC(=O)O)NC(=O)C2=CC(=O)N(N2)c3ccccc3F
Cc1ccccc1-n1nc(ccc1=O)-c1c2NC[C@@H](CO)Cn2nc1-c1ccc(F)cc1 |r|
OCCn1cc(cn1)-c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
CN(c1c(cccn1)CNc2c(cnc(n2)Nc3ccc4c(c3)CC(=O)N4)C(F)(F)F)S(=O)(=O)C
CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCc2ccccc2[C@H]1N)C1CCCCC1
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
COc1cc(CC(O)=O)ccc1Oc1ccc2[nH]c(C)cc2c1NS(=O)(=O)c1ccc(Cl)cc1Cl
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 |r|
COc1cc2c(NC3CCCCC3)c(cnc2cc1-c1c(C)noc1C)C(N)=O |(22.74,4.14,;22.74,2.6,;24.07,1.83,;25.4,2.6,;26.73,1.83,;28.06,2.61,;28.05,4.15,;26.71,4.91,;26.71,6.45,;25.38,7.21,;24.05,6.44,;24.06,4.9,;25.39,4.13,;29.4,1.85,;29.41,.3,;28.07,-.48,;26.74,.29,;25.4,-.49,;24.07,.28,;22.73,-.48,;22.7,-2.03,;23.93,-2.96,;21.23,-2.47,;20.35,-1.21,;21.28,.02,;20.83,1.49,;30.73,2.63,;32.06,1.86,;30.72,4.17,)|
COCC(=O)N[C@@H](Cc1ccc(cc1)C#C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
COCC(=O)N[C@@H](Cc1ccc(cc1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
COCC(=O)N[C@@H](Cc1cccc(c1)C#CC)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
COCC(=O)N[C@@H](Cc1cccc(c1)C#C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
COCC(=O)N[C@@H](Cc1cccc(c1)-c1nc(C)cs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
COCC(=O)N[C@@H](Cc1cccc(c1)-c1cscn1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
COCC(=O)N[C@@H](Cc1cccc(c1)-c1cncs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
COCC(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
COCC(=O)N[C@@H](Cc1cccc(c1)-c1nccn1C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
COCC(=O)N[C@@H](Cc1cccc(c1)-c1ncco1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
COCC(=O)N[C@@H](Cc1cccc(c1)-c1ccccn1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
COCC(=O)N[C@@H](Cc1cccc(c1)-c1ccncc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
C[C@H](C(=O)N[C@@H](Cc1ccc2c(c1)OCO2)[C@@H](CN[C@H]3CC4(CCC4)Oc5c3cc(cn5)CC(C)(C)C)O)OC
CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CNC(=O)c4cccc(F)c4)cc3)c2n1
Nc1ncccc1-c1nc2cc(cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1)-c1cccnc1
Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1
Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CC(=O)Nc2ccccc2)cc1
Cn1c(c(C2CCCC2)c2ccc(cc12)C(=O)NC1(CCCC1)C(=O)Nc1ccc(\C=C\C(O)=O)cc1)-c1ccncc1
Cn1c(c(C2CCCC2)c2ccc(cc12)C(=O)NC1(CCCC1)C(=O)Nc1ccc(\C=C\C(O)=O)cc1)-c1ccc(Cl)cn1
Cn1c(c(C2CCCC2)c2ccc(cc12)C(=O)NC1(CCCC1)C(=O)Nc1ccc(\C=C\C(O)=O)cc1)-c1ccccn1
Cn1c(c(C2CCCC2)c2ccc(cc12)C(=O)NC1(CCC1)C(=O)Nc1ccc(\C=C\C(O)=O)cc1)-c1cnccn1
COc1ccc(cn1)-c1c(C2CCCC2)c2ccc(cc2n1C)C(=O)NC1(CCC1)C(=O)Nc1ccc(\C=C\C(O)=O)cc1
Cn1c(c(C2CCCC2)c2ccc(cc12)C(=O)NC1(CCC1)C(=O)Nc1ccc(\C=C\C(O)=O)cc1)-c1cccc(N)n1
Cn1c(c(C2CCCC2)c2ccc(cc12)C(=O)NC1(CCC1)C(=O)Nc1ccc(\C=C\C(O)=O)cc1)-c1ccc(F)cn1
Cn1c(c(C2CCCC2)c2ccc(cc12)C(=O)NC1(CCC1)C(=O)Nc1ccc(\C=C\C(O)=O)cc1)-c1ccc(Cl)cn1
Cc1ccc(nc1)-c1c(C2CCCC2)c2ccc(cc2n1C)C(=O)NC1(CCC1)C(=O)Nc1ccc(\C=C\C(O)=O)cc1
Cn1c(c(C2CCCC2)c2ccc(cc12)C(=O)NC1(CCC1)C(=O)Nc1ccc(\C=C\C(O)=O)cc1)-c1ccc(Cl)cc1
Cn1c(-c2ccoc2)c(C2CCCC2)c2ccc(cc12)C(=O)NC1(CCC1)C(=O)Nc1ccc(\C=C\C(O)=O)cc1
Cn1c(c(C2CCCC2)c2ccc(cc12)C(=O)NC(C)(C)C(=O)Nc1ccc(\C=C\C(O)=O)cc1)-c1ccc(Cl)cn1
Cn1c(c(C2CCCC2)c2ccc(cc12)C(=O)NC(C)(C)C(=O)Nc1ccc(\C=C\C(O)=O)cc1)-c1ccccn1
CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ccc(F)cn1)c1cc(cs1)-c1cccc(c1)C#N |r,c:3|
COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)N1CCOc2ccc(Cl)cc12
COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1nc(C)c2cc(Cl)ccc12
COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)cnc12
COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)ccc12
OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3c(c2)sn(C2CCCC2)c3=O)c1
CN1C[C@H]([C@@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r|
CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1F)C(=O)Nc1ccc(Cl)cc1 |r|
CC(C)(O)CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r|
Nc1ccccc1NC(=O)\C=C\c1ccc(cc1)[C@H]1CN(CCO)C[C@@H]1C(=O)Nc1ccc(Cl)cc1 |r|
CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r|
Cc1cc(n(n1)c2cccc(c2)Cl)NC(=O)c3cnn4c3nccc4
Cn1cc(NC(=O)c2cnn3ccc(N)nc23)c(n1)-c1cc(Cl)ccc1Cl
CNc1ccn2ncc(C(=O)Nc3cc(C)nn3-c3cccc(Cl)c3)c2n1
Cc1cc(NC(=O)c2cnn3ccc(N)nc23)n(n1)-c1cccc(Cl)c1
Cc1nc(c(NC(=O)c2cnn3ccc(N)nc23)s1)-c1cccc(Cl)c1
Cn1cc(NC(=O)c2cnn3ccc(N)nc23)c(n1)-c1cccc(Cl)c1
Clc1cccc(c1)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cccc(Cl)c1
Cn1cc(c(NC(=O)c2cnn3cccnc23)n1)-c1cccc(Cl)c1
Cc1cc(NC(=O)c2cnn3cccnc23)c(cn1)-c1cccc(Cl)c1
Clc1cccc(c1)-c1cnccc1NC(=O)c1cnn2cccnc12
Clc1cccc(c1)-c1ncccc1NC(=O)c1cnn2cccnc12
FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCC(CC1)c1ccccc1
CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(CC1)c1ccc(Cl)cc1 |r|
CS(=O)(=O)c1ccc(F)cc1C(=O)N1CCC(CC1)N(C1CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F
Cc1cccc2c(Nc3cccc(c3)-c3nc4c(cccc4[nH]3)C(N)=O)c3ccccc3nc12
Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:17.18,wD:20.22,(61.46,-10.56,;62.79,-9.79,;64.13,-10.56,;65.46,-9.79,;66.8,-10.56,;65.46,-8.26,;64.13,-7.48,;62.79,-8.25,;61.46,-7.48,;60.12,-8.25,;61.46,-5.94,;66.79,-7.49,;68.12,-8.26,;69.46,-7.49,;69.46,-5.94,;68.12,-5.17,;66.79,-5.94,;70.79,-5.16,;70.78,-3.63,;72.12,-2.86,;73.45,-3.62,;74.79,-2.85,;76.12,-3.62,;77.46,-2.85,;76.12,-5.16,;73.45,-5.17,;72.13,-5.93,)|
CS(=O)(=O)c1nn(Cc2nc3cc(Cl)ccc3n2CC2COC2)c2cnccc12
N[C@H]1[C@@H](CC[C@@H](OC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)c2ncccc12)c1cccc(F)c1F |r|
COc1ccc-2cc1COCC=CCOCc1cc(Nc3nccc-2n3)ccc1OCCN1CCCC1 |w:11.11|
Cc1cnc2Nc3ccc(OCCN4CCCC4)c(COCC=CCOCc4cccc(c4)-c1n2)c3 |w:23.24|
C(CN1CCCCC1)Oc1ccc2Nc3nccc(n3)-c3cccc(COCC=CCOCc1c2)c3 |w:28.29|
C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3cccc(COCC=CCOCc1c2)c3 |w:27.28|
CCN(CC)CCOc1ccc2Nc3nccc(n3)-c3cccc(COCC=CCOCc1c2)c3 |w:27.27|
CCN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
CN1C(C)(C)CC(CC1(C)C)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
CCN1CCC(CC1)Oc1ccc(nc1)C(=O)Nc1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Cc1ccc(Sc2ccccc2N2CCNCC2)c(Cl)c1
Cc1ccc(c(c1)C)Sc2ccccc2N3CCNCC3
Clc1ccc(Sc2ccccc2N2CCNCC2)c(Cl)c1
Cc1cccc(Sc2ccccc2N2CCNCC2)c1C
Clc1cccc(Sc2ccccc2N2CCNCC2)c1Cl
Cc1ccc(Sc2ccccc2N2CCNCC2)cc1C
Cc1ccc(Sc2ccccc2N2CCNCC2)cc1
Clc1ccc(Sc2ccccc2N2CCNCC2)cc1
COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@@H](CO)C1 |r|
Cc1c(Cc2ccc(=O)n(Cc3ccc(F)cc3F)n2)c2cc(F)ccc2n1CC(O)=O
COC(=O)C(C)(C)C(c1ccc(Nc2ccccc2)cc1)n1cncn1
Cc1nn(C)cc1-c1nc2ncc(Cl)c(N3CCN(Cc4ccc(Cl)cc4)CC3)c2[nH]1
Clc1ccc(Cn2ccnn2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Clc1ccc(s1)S(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cn1ccnn1
Cn1nnnc1Cc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
CS(=O)(=O)NCc1nc2cnc3c(c2n1[C@@H]4C[C@H]5CC[C@@H]4C5)cc[nH]3
CN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)CC1
CN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccccc2Br)CC1
Nc1ncncc1-c1ccnc2n(ncc12)-c1ccc(F)cc1
COCCCOc1cc2OC[C@H](n3cc(C(O)=O)c(=O)cc3-c2cc1OC)C(C)(C)C |r|
CC(COc1ccn(-c2ccc(F)cc2)c(=O)c1)Oc1ccccc1
C[C@@H](COc1ccn(-c2ccc(F)cc2)c(=O)c1)Oc1ccccc1 |r|
[H][C@]12OC[C@@H](Oc3nc4nc(N[C@H]5CCc6cc(OCCOC)cc(F)c56)c(Cl)cc4[nH]3)[C@@]1([H])OC[C@H]2O |r|
CNCc1cc(F)c(c(F)c1)-c1cc2c(n[nH]c2cn1)-c1cnn(C)c1
CNCc1cc(F)c(-c2cc3c(n[nH]c3cn2)-c2cnn(C)c2)c(c1)C(F)(F)F
CNCc1cc(C)c(c(F)c1)-c1cc2c(n[nH]c2cn1)-c1cnn(C)c1
Cc1cc(CN2CCC2)cc(F)c1-c1cc2c(n[nH]c2cn1)-c1cnn(C)c1
C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2|
CN(C)CCNC(=O)[C@@H]1[C@H](Cc2ccccc12)NC(=O)c1cc2ccccc2[nH]1 |r|
COc1ccc(cc1)-c1c(C)nn2c(cc(C)nc12)C(F)(F)F
COc1ccc(cc1F)-c1c(C)nn2c(cc(C)nc12)C(F)(F)F
COc1ccc(-c2c(C)nn3c(cc(C)nc23)C(F)(F)F)c(F)c1F |(9.45,-43.77,;10.47,-42.62,;9.99,-41.15,;8.48,-40.84,;7.99,-39.38,;9.02,-38.23,;8.54,-36.77,;9.43,-35.53,;10.97,-35.52,;8.53,-34.29,;7.07,-34.77,;5.74,-34,;4.41,-34.77,;4.41,-36.31,;3.08,-37.09,;5.74,-37.08,;7.08,-36.3,;5.74,-32.46,;7.08,-31.68,;4.41,-31.68,;5.73,-30.92,;10.52,-38.54,;11.55,-37.39,;11.01,-40,;12.52,-40.31,)|
COc1cc(F)c(cc1F)-c1c(C)nn2c(cc(C)nc12)C(F)(F)F |(24.3,-44,;25.32,-42.84,;24.84,-41.38,;25.87,-40.23,;25.37,-38.77,;26.4,-37.61,;23.87,-38.46,;22.85,-39.61,;23.33,-41.07,;22.3,-42.22,;23.39,-36.99,;24.29,-35.75,;25.83,-35.74,;23.38,-34.52,;21.92,-35,;20.59,-34.22,;19.26,-35,;19.26,-36.54,;17.92,-37.31,;20.59,-37.3,;21.93,-36.53,;20.59,-32.68,;21.92,-31.91,;19.25,-31.91,;20.57,-31.14,)|
Fc1ccc(cc1)-c1nn(C(=O)N2CCN3CCC2CC3)c2COCCc12 |(1.19,-6.13,;.8,-4.65,;1.82,-3.52,;1.31,-2.03,;-.18,-1.72,;-1.21,-2.85,;-.74,-4.34,;-.64,-.28,;.28,1,;-.64,2.23,;-.18,3.67,;-1.26,4.8,;1.31,4.03,;2.28,2.8,;3.82,2.8,;4.8,3.98,;3.47,3.62,;2.23,4.24,;1.72,5.52,;3.11,6.13,;4.49,5.47,;-2.13,1.77,;-3.47,2.54,;-4.8,1.77,;-4.8,.23,;-3.47,-.54,;-2.13,.23,)|
Cl.FC(F)(F)c1cnn(c1)-c1nn(C(=O)N2CCN3CCC2CC3)c2COCCc12 |(3.57,-1.5,;.59,-6.29,;-.5,-5.2,;-1.99,-5.6,;-.9,-6.69,;-.1,-3.71,;1.25,-3.18,;1.25,-1.61,;-.24,-1.21,;-1.06,-2.5,;-.64,.28,;.28,1.56,;-.64,2.79,;-.18,4.23,;-1.26,5.36,;1.31,4.59,;2.28,3.36,;3.82,3.36,;4.8,4.54,;3.46,4.18,;2.23,4.79,;1.72,6.08,;3.1,6.69,;4.49,6.02,;-2.13,2.33,;-3.46,3.1,;-4.8,2.33,;-4.8,.79,;-3.46,.02,;-2.13,.79,)|
COc1cc(F)c(-c2c(C)nn3c(cc(C)nc23)C(F)(F)F)c(F)c1 |(75.94,-28.33,;76.96,-27.18,;76.48,-25.72,;74.97,-25.41,;74.49,-23.95,;72.98,-23.63,;75.51,-22.79,;75.03,-21.33,;75.93,-20.09,;77.47,-20.08,;75.01,-18.86,;73.56,-19.33,;72.23,-18.56,;70.9,-19.33,;70.9,-20.87,;69.56,-21.65,;72.23,-21.64,;73.57,-20.87,;72.23,-17.02,;73.56,-16.25,;70.89,-16.25,;72.21,-15.48,;77.01,-23.11,;78.04,-21.95,;77.51,-24.56,)|
[H][C@@]12C[C@]1([H])c1c(C2)c(nn1-c1c[n+]([O-])ccn1)C(=O)N[C@H](CO)C(C)(C)C |r|
CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 |r|
OC(=O)CNC(=O)c1c(O)cc(CCc2ccccc2)n2ncnc12
C[C@H]1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CC4CCNCC4)c3)ccc2F)CCN1 |r|
CCCCNc1nccc2[nH]c3ccccc3c12
CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N(Cc3ccccc3)[C@@H](C)C(F)(F)F)C2=O)c1 |r|
NC(=O)NC\C=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|
N[C@H]1CC[C@@H](CC1)N(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r,wU:9.9,1.0,wD:19.21,4.7,(37.29,-41.87,;35.96,-41.1,;34.62,-41.87,;33.29,-41.1,;33.3,-39.57,;34.62,-38.78,;35.96,-39.55,;31.96,-38.8,;30.63,-39.57,;30.63,-41.11,;31.98,-41.87,;31.97,-43.42,;33.3,-44.19,;33.3,-45.72,;31.97,-46.48,;30.64,-45.72,;30.64,-44.19,;29.31,-43.42,;29.31,-41.88,;31.96,-37.26,;33.3,-36.48,;33.29,-34.93,;31.95,-34.16,;30.62,-34.94,;29.29,-34.18,;27.96,-34.95,;27.95,-36.5,;29.29,-37.27,;30.62,-36.49,)|
C\C(CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)=C(/F)CN |r|
FC1(F)CCC(CC1)NC\C=C/CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|
[H][C@]1(CC[C@H](N)CC1)N(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r,wU:10.10,1.0,wD:20.22,4.4,(50.7,-7.05,;50.7,-8.59,;52.02,-7.81,;53.36,-8.59,;53.36,-10.13,;54.7,-10.9,;52.02,-10.9,;50.7,-10.13,;49.37,-7.83,;48.04,-8.61,;48.03,-10.14,;49.38,-10.91,;49.38,-12.45,;50.7,-13.22,;50.7,-14.75,;49.37,-15.53,;48.04,-14.75,;48.05,-13.22,;46.71,-12.46,;46.71,-10.91,;49.36,-6.29,;50.7,-5.51,;50.7,-3.96,;49.35,-3.19,;48.02,-3.97,;46.68,-3.21,;45.35,-3.98,;45.35,-5.53,;46.68,-6.3,;48.02,-5.52,)|
NCC1=C(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)CCCC1 |r,c:2|
C\C(CN)=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|
C\C(CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)=C\CN |r|
C\C(CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)=C(\F)CN |r|
C\C(CN)=C(\F)CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|
NCC1CC1CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|
N[C@H]1CC[C@H](CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)CC1 |r,wU:8.7,4.4,wD:18.19,1.0,(38.36,-4.5,;37.03,-5.27,;35.69,-4.5,;34.36,-5.28,;34.37,-6.81,;33.04,-7.59,;31.7,-6.82,;30.37,-7.6,;30.37,-9.14,;31.72,-9.9,;31.71,-11.44,;33.04,-12.21,;33.04,-13.73,;31.71,-14.5,;30.38,-13.74,;30.38,-12.21,;29.05,-11.44,;29.05,-9.91,;31.7,-5.28,;33.04,-4.51,;33.03,-2.96,;31.69,-2.19,;30.36,-2.97,;29.02,-2.21,;27.69,-2.98,;27.69,-4.53,;29.02,-5.29,;30.36,-4.52,;35.7,-7.58,;37.03,-6.81,)|
C\C(CN)=C(/F)CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|
NC[C@H]1CC[C@H](CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)CC1 |r,wU:9.8,2.1,wD:19.20,5.5,(39.55,-22.51,;38.22,-21.74,;36.88,-22.51,;36.88,-24.05,;35.55,-24.82,;34.21,-24.05,;32.88,-24.83,;31.55,-24.06,;30.22,-24.84,;30.22,-26.38,;31.56,-27.14,;31.56,-28.68,;32.88,-29.45,;32.88,-30.98,;31.55,-31.75,;30.23,-30.98,;30.23,-29.45,;28.9,-28.68,;28.89,-27.15,;31.54,-22.52,;32.88,-21.74,;32.87,-20.2,;31.53,-19.43,;30.21,-20.21,;28.87,-19.45,;27.54,-20.21,;27.54,-21.77,;28.87,-22.53,;30.21,-21.75,;34.2,-22.51,;35.54,-21.74,)|
CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(C)c(Cl)c1
CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(Cl)cc1
Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1ccccc1Cl
OC(=O)C[C@]1(CC(F)(F)F)CCc2cc(ccc2C1=O)-c1cnc(NC(=O)Nc2ccc(F)c(F)c2)cn1 |r|
OC(=O)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
OCCNC(=O)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
OC(=O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
Clc1cncc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
Cc1ncccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
Cc1cc(NC(=O)c2cccc(c2)S(=O)(=O)N[C@H]2CCOC2)ccc1F |r|
CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O
CCc1c2cc(ccc2nc3c1CN4C3=CC5=C(C4=O)COC(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7
CCc1c2cc(ccc2nc3c1CN4C3=CC5=C(C4=O)COC(=O)[C@@]5(CC)O)O
[H][C@]12O[C@@]11[C@@](C)(CC[C@]3([H])[C@@]45COC(=O)C[C@]4([H])OC(C)(C)[C@]5([H])CC(=O)[C@@]13C)[C@@H](OC2=O)c1ccoc1 |r|
O=c1n2CCc3c([nH]c4ccccc34)-c2nc2ccccc12
CC(O)CCC(=O)c1ccoc1
COc1cc2[C@H](OC(=O)c3ccccc3)[C@@](C)(O)[C@@H](C)Cc3cc4OCOc4c(OC)c3-c2c(OC)c1OC |r|
C\C(CCC(OC(C)(C)C(O)CC\C(C)=C\COc1c2ccoc2cc2oc(=O)ccc12)C(C)=C)=C/COc1c2ccoc2cc2oc(=O)ccc12
C\C(CCC(O)C(C)(C)OC(CC\C(C)=C\COc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O)=C/COc1c2ccoc2cc2oc(=O)ccc12
CC(C)CN(CC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNCc1cccc(F)c1)S(=O)(=O)c1cccc(N)c1 |r|
CC(C)(C)NC(=O)[C@@H]1CN(Cc2cnc3occc3c2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)O
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C |c:18,t:11|
COc1ccc(OCCCN(C)CCOc2ccc3OCOc3c2)c(c1)C1Sc2ccccc2N1C(C)=C
CNCCCC(C#N)(C(C)C)c1ccc(OC)c(OC)c1
c1cc(ccc1\C=C\c2cc(cc(c2)O)O)O
c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl
c1cnccc1C(=O)NN
COc1cc(cc(OC)c1OC)-c1nc(SCC(=O)NC(=O)Nc2ccccn2)nc(Nc2cccc(Cl)c2)c1C#N
Cc1c(F)cc(cc1-c1ccc(cn1)C(=O)NCC1CC1)C(=O)NC1CC1
Cc1ccc(cc1-c1ccc(cn1)C(=O)NCC1CC1)C(=O)NC1CC1
Cc1cc(CCCOc2c(C)cc(cc2C)-c2noc(n2)C(F)(F)F)on1
Cc1nc(no1)-c1ccc(OCC2CN(C2)c2ccc(C)nn2)cc1
C[C@H](NC(=O)c1c(C)nn(c1NS(=O)(=O)c1ccc(C)cc1)-c1ccccc1)C(C)(C)C |r|
C[C@H](NC(=O)c1c(C)nn(c1NS(=O)(=O)c1ccc(cc1)C#N)-c1ccc(F)cc1)C(C)(C)C |r|
C[C@H](NC(=O)c1c(C)nn(C2CCOCC2)c1NS(=O)(=O)c1ccc(cc1)C1CC1)C(C)(C)C |r|
CO[C@H]1CC[C@H](CC1)n1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c1ccc(C)cc1 |r,wU:5.8,16.17,2.1,(31.27,-8.16,;32.01,-6.81,;31.21,-5.49,;29.67,-5.52,;28.87,-4.21,;29.61,-2.86,;31.15,-2.82,;31.95,-4.13,;29.13,-1.41,;27.66,-.94,;27.66,.6,;26.41,1.51,;29.12,1.08,;29.59,2.55,;31.1,2.88,;28.56,3.69,;29.03,5.16,;27.99,6.3,;30.53,5.48,;31.57,4.34,;31,6.95,;32.01,5.9,;30.03,-.15,;31.57,-.15,;32.33,1.2,;30.99,1.97,;32.33,2.74,;33.88,1.2,;34.64,-.13,;36.18,-.13,;36.95,1.2,;38.49,1.2,;36.18,2.53,;34.64,2.52,)|
CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccn3)nc(NC[C@@H](O)CO)nc12 |r|
CC(C)c1nc(no1)N1CCN([C@H](C)C1)c1ncc(OCc2ccncc2C#N)cn1 |r|
CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3nc4ccc(OC)cc4[nH]3)c3ccccc3)c2c1 |w:17.18|
CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3ccccc3)c2c1
CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3ccc(C)cc3)c2c1
CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3ccc(OC)cc3)c2c1
CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3cccc(F)c3)c2c1
CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3cc(F)cc(F)c3)c2c1
CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3ccccc3)c2c1
CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3cccc(F)c3)c2c1
CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3ccc(Cl)cc3)c2c1
CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc(C)[nH]3)c3cccc(F)c3)c2c1 |w:17.25|
CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc(C)[nH]3)c3cc(F)cc(F)c3)c2c1 |w:17.25|
CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc(C)[nH]3)c3ccccc3F)c2c1 |w:17.25|
CCCCCCc1c2O[C@]3(N(C)C(=O)C(Cl)=C3Cl)C(=O)c2ccc1O |r,c:15|
C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1)C#N)C(F)(F)F |r|
CC(C)(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1F)S(C)(=O)=O
Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1-c1cccc(F)c1)S(C)(=O)=O
C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1F)S(C)(=O)=O)C(F)(F)F |r|
C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cccc(C)c1)S(C)(=O)=O)C(F)(F)F |r|
C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1)S(C)(=O)=O)C(F)(F)F |r|
CC(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1F)S(C)(=O)=O
CS(=O)(=O)c1ccc(OCC2CC2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccccc1F
Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1N1CCC(F)(F)CC1)S(C)(=O)=O
CS(=O)(=O)c1ccc(-c2cccc(F)c2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccccc1F
CS(=O)(=O)c1ccc(-c2cccc(F)c2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1
CCS(=O)(=O)c1ccc(O[C@@H](C)C(F)(F)F)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1 |r|
CC(C)S(=O)(=O)c1ccc(O[C@@H](C)C(F)(F)F)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccccc1 |r|
C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1)C#N)C(F)(F)F |r|
CC(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1)C#N
CC(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1)C#N
Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1N1CCC(F)(F)CC1)C#N
Fc1cccc(c1)-c1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1)C#N
C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)C1CCCC1)C#N)C(F)(F)F |r|
CS(=O)(=O)c1ccc(N2CCC(F)(F)CC2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccccc1F
C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)C1CCCC1)S(C)(=O)=O)C(F)(F)F |r|
CCS(=O)(=O)c1ccc(O[C@@H](C)C(F)(F)F)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccccc1F |r|
CC(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1)C#N
C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1)S(C)(=O)=O)C(F)(F)F |r|
C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1)S(C)(=O)=O)C(F)(F)F |r|
CS(=O)(=O)c1ccc(N2CCC(F)(F)CC2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1
CCS(=O)(=O)c1ccc(O[C@@H](C)C(F)(F)F)c(c1)C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1 |r|
C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1F)C#N)C(F)(F)F |r|
Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1OCC1CC1)C#N
Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1-c1cccc(F)c1)C#N
COc1ccc(NC(=O)N2CCN([C@@H](C)C2)c2nc(N)nc3sccc23)c(C)c1 |r|
Cc1cc(ccc1NC(=O)N2CCN([C@H](C2)C)c3c4cnn(c4nc(n3)N)C)OC
Cc1ccc(NC(=O)N2CCN(CC2)c2nc(N)nc3sc(nc23)-c2cccnc2)cc1
COc1ccc(NC(=O)N2CCN(CC2)c2nc(N)nc3sc(nc23)-c2cccnc2)cc1
COc1ccc(NC(=O)N2CCN(CC2)c2nc(N)nc3sc(nc23)-c2ccccc2)cc1
COc1ccc(NC(=O)N2CCN([C@@H](C)C2)c2nc(N)nc3scnc23)c(C)c1 |r|
COc1ccc(NC(=O)N2CCN([C@@H](C)C2)c2nc(N)nc3sncc23)c(C)c1 |r|
COc1ccc(NC(=O)N2CCN([C@@H](C)C2)c2nc(N)nc3n(C)cnc23)c(C)c1 |r|
COc1ccc(NC(=O)N2CCN([C@@H](C)C2)c2nc(N)nc3scnc23)cc1 |r|
COc1ccc(NC(=O)N2CCN(CC2)c2nc(N)nc3scnc23)cc1
COc1ccc(NC(=O)N2CCN([C@@H](C)C2)c2nc(N)nc3scnc23)c(C)n1 |r|
CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C
[O-][N+](=O)c1nccn1CC(=O)NCc1ccccc1
[H][C@]12C[C@@H](O[C@]3([H])O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(O)=O)O2 |r,wU:62.64,57.58,10.10,32.33,1.0,5.5,wD:3.3,12.12,14.15,60.61,51.52,54.55,49.50,42.43,34.35,45.46,8.8,36.37,30.31,t:17,19,21,23,27,29,(-9.21,4.62,;-9.51,3.64,;-8.06,4.03,;-7.11,2.79,;-6.63,1.32,;-5.12,1,;-4.49,.19,;-6.09,2.18,;-5.52,3.61,;-6.28,4.58,;-3.99,3.82,;-3.61,4.78,;-3.04,2.61,;-1.82,2.79,;-3.61,1.18,;-2.86,.2,;-5.59,3.01,;-4.6,1.87,;-3.07,2.09,;-2.12,1,;-.68,1.25,;.41,.08,;1.8,.35,;2.79,-.78,;4.26,-.58,;7.2,-.01,;6.73,-1.44,;7.74,-2.62,;7.26,-4.01,;9.36,-5.18,;8.86,-7.52,;9.7,-8.43,;7.25,-7.74,;6.8,-8.88,;6.25,-6.52,;6.71,-5.37,;4.67,-6.71,;4.24,-7.86,;3.59,-5.49,;2.05,-5.69,;1.63,-6.85,;.98,-4.53,;-.55,-4.69,;-1.01,-5.83,;-1.54,-3.51,;-3.06,-3.7,;-3.5,-4.85,;-4.14,-2.5,;-5.71,-2.68,;-6.76,-1.49,;-6.32,-.34,;-8.34,-1.66,;-8.79,-2.8,;-9.38,-.46,;-10.97,-.66,;-11.4,-1.81,;-12.06,.58,;-11.58,1.99,;-12.79,1.76,;-12.54,3.11,;-12.01,4.55,;-12.8,5.49,;-10.52,4.8,;-9.54,6,;-9.98,7.15,;-8.33,5.8,;-10.07,2.21,)|
CCN1CCC(CC1)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F |r|
CS(=O)Cc1ccc(C(=O)Nc2ccc(OCCOCCO)nc2C(=O)NCC2CCC2)c2ccccc12
CS(=O)Cc1ccc(C(=O)Nc2nccnc2C(=O)NCC2CCC2)c2ccccc12
CS(=O)Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCOCC2)c2ccccc12
COc1ccc(NC(=O)c2ccc(CS(C)=O)c3ccccc23)c(n1)C(=O)NCC1CCOCC1
O=C(NCC1CCOCC1)c1ncccc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12
COc1ccc(NC(=O)c2ccc(Cn3ccnn3)c3ccccc23)c(n1)C(=O)NCC1CCOCC1
COc1cc(\C=C2/CCCN3[C@H](CCON=C23)c2cc(F)c(F)c(F)c2)ccc1-n1cnc(C)c1 |r,t:15|
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CCN4CCN(CC4)CCC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r,wU:38.39,wD:11.10,(46.28,-21.08,;46.25,-22.61,;47.58,-23.4,;44.91,-23.37,;44.89,-24.91,;43.54,-25.65,;42.23,-24.87,;40.88,-25.62,;39.56,-24.83,;38.22,-25.58,;38.2,-27.12,;36.89,-24.79,;35.55,-25.54,;35.54,-27.08,;34.2,-27.85,;34.19,-29.38,;35.52,-30.16,;35.62,-31.71,;36.95,-32.47,;38.28,-31.7,;36.96,-34.01,;35.64,-34.78,;34.31,-34.02,;32.98,-34.79,;31.65,-34.04,;31.65,-32.51,;32.96,-31.72,;34.3,-32.49,;30.32,-31.75,;30.3,-30.22,;28.97,-29.47,;27.65,-30.24,;28.95,-27.93,;30.28,-27.15,;30.26,-25.61,;31.59,-24.83,;32.93,-25.59,;34.25,-24.82,;34.24,-23.28,;32.9,-22.51,;31.57,-23.3,;30.79,-24.63,;32.33,-24.63,;30.23,-22.53,;28.9,-23.31,;27.57,-22.54,;26.24,-23.32,;26.23,-24.86,;27.57,-25.63,;28.91,-24.86,;35.57,-22.49,;35.56,-20.95,;36.91,-23.25,;32.95,-27.13,;31.63,-27.92,;36.86,-29.39,;36.86,-27.86,;42.24,-23.33,;43.58,-22.57,)|
NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCN(CC4)CC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r,wU:36.37,wD:11.10,(23.09,-3.13,;23.07,-4.67,;24.39,-5.45,;21.73,-5.42,;21.7,-6.96,;20.35,-7.7,;19.04,-6.92,;17.69,-7.67,;16.38,-6.89,;15.03,-7.63,;15.01,-9.17,;13.71,-6.85,;12.36,-7.6,;12.35,-9.14,;11.01,-9.9,;11,-11.44,;12.33,-12.22,;12.32,-13.75,;10.99,-14.51,;10.98,-16.04,;9.67,-13.73,;8.33,-14.49,;7.02,-13.72,;5.69,-14.47,;5.67,-16,;6.99,-16.78,;8.33,-16.03,;4.33,-16.75,;5.78,-11.52,;7.12,-12.28,;5.77,-9.99,;7.09,-9.21,;7.08,-7.67,;8.4,-6.89,;9.74,-7.65,;11.07,-6.87,;11.05,-5.33,;9.71,-4.57,;8.38,-5.36,;7.6,-6.68,;9.15,-6.68,;7.04,-4.59,;5.72,-5.37,;4.38,-4.6,;3.05,-5.37,;3.05,-6.92,;4.38,-7.69,;5.72,-6.92,;12.38,-4.54,;12.37,-3,;13.72,-5.31,;9.76,-9.18,;8.44,-9.97,;13.67,-11.45,;13.68,-9.91,;19.05,-5.39,;20.39,-4.63,)|
COc1cc(Oc2ccccc2)ccc1-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12 |r,wU:18.19,20.23,wD:20.22,(2.01,-1.15,;2.01,.39,;.92,1.48,;1.32,2.96,;.23,4.05,;.63,5.54,;2.12,5.94,;3.21,4.85,;4.7,5.25,;5.09,6.74,;4.01,7.83,;2.52,7.43,;-1.25,3.65,;-1.65,2.17,;-.56,1.08,;-.96,-.41,;-.06,-1.65,;-.96,-2.9,;-.56,-4.39,;.77,-5.16,;-0,-6.49,;1.33,-7.26,;-.77,-7.83,;-1.33,-5.72,;-2.43,-2.42,;-3.76,-3.19,;-5.09,-2.42,;-5.09,-.88,;-3.76,-.11,;-3.76,1.43,;-2.43,-.88,)|
COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1nc(c(Cl)c1C)C(F)(F)F
Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4ccccn4)cc3c(=O)c2c1
CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(F)cccc2F)CCC(F)(F)CC1
C[C@@H]1COCCN1c1cc(nc(n1)-c1cccc2[nH]ccc12)C1(CC1)S(C)(=O)=O |r|
Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc(F)c(F)c2)CC1
C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(C)c1)NC(=O)c1ccc(Br)cc1 |r|
CS(=O)(=O)c1ccc(nc1)-c1nnc(\C=C\c2nnc(o2)-c2ccc(cc2)C#N)n1-c1ccccc1Cl |(62.04,-5.04,;60.89,-4.01,;60.11,-2.67,;61.66,-2.66,;59.43,-4.48,;58.27,-3.45,;56.81,-3.93,;56.5,-5.43,;57.64,-6.47,;59.11,-5.99,;55.04,-5.91,;54.56,-7.37,;53.02,-7.37,;52.55,-5.91,;51.08,-5.43,;49.94,-6.46,;48.47,-5.99,;48,-4.52,;46.46,-4.52,;45.98,-5.98,;47.23,-6.89,;44.52,-6.46,;43.37,-5.43,;41.92,-5.9,;41.6,-7.41,;42.74,-8.44,;44.2,-7.96,;40.13,-7.89,;38.67,-8.37,;53.79,-5,;53.8,-3.47,;55.13,-2.69,;55.13,-1.14,;53.79,-.38,;52.46,-1.15,;52.46,-2.7,;51.13,-3.46,)|
CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(OC(F)(F)F)cc1
CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOC[C@@H]1C)C1COC1 |r|
CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOC[C@@H]1C)C(C)C |r|
CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOC[C@@H]1C)c1nccn1C |r|
CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOC[C@@H]1C)c1cc(C)ncn1 |r|
CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOC[C@@H]1C)c1ccnc(C)n1 |r|
CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOC[C@@H]1C)c1ncc(F)cn1 |r|
CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOC[C@@H]1C)c1ncccn1 |r|
CC(C)(C)NC(=O)NCCN1CCC(CO)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)S(=O)(=O)c3ccc(c(c3)Oc4cccc(c4)Cl)O
c1ccc2c(c1)cc(cn2)Oc3c(cc(cc3Cl)NS(=O)(=O)c4ccc(cc4Cl)Cl)Cl
Fc1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cnc2ccccc2c1
CC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cnc2ccccc2c1
Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1ccc(Oc2cnc3ccccc3c2)c(Cl)c1
FC(F)(F)c1ccc(c(Cl)c1)S(=O)(=O)Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1
Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1cc(Cl)c(Oc2cncc(Cl)c2)c(Cl)c1
Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1cc(Cl)c(Oc2ccc3ncccc3c2)c(Cl)c1
Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1ccc(Oc2cncc(Cl)c2)c(c1)C#N
CC(=O)c1cncc(Oc2c(Cl)cc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2Cl)c1
CCNC(=O)c1cc(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1
NC(=O)c1cncc(Oc2c(Cl)cc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2Cl)c1
Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1cc(Cl)c(Oc2cncc(c2)C#N)c(Cl)c1
Cc1cncc(Oc2c(Cl)cc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2Cl)c1
OC(=O)c1cccc(OCC2CCN(CC2)c2ccc(NC(=O)c3cccc(Oc4ccccc4)c3)cn2)c1
Clc1cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2oc(=O)[nH]c12 |r|
Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)c(Cl)c2cn[nH]c12 |r|
CCc1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2c(C)n[nH]c12
CCc1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
Clc1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2[nH]nnc12 |r|
Brc1cc2[nH]c(=O)oc2cc1C[C@@H](NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCC(CC1)N1CCCCC1 |r|
Clc1cc2[nH]c(=O)oc2cc1C[C@@H](NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCC(CC1)N1CCCCC1 |r|
Ic1cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2oc(=O)[nH]c12 |r|
Brc1cc(C[C@@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2oc(=O)[nH]c12 |r|
CC(C)c1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
CCNC(=O)Nc1ccc(cc1)-c1nc2CCN(Cc2c(n1)N1CCOC[C@@H]1C)C1COC1 |r|
CCNC(=O)Nc1ccc(cc1)-c1nc2C[C@@H]3CC[C@@H](N3S(C)(=O)=O)c2c(n1)N1CCOC[C@@H]1C |r,THB:21:20:14.25.15:18.17|
CCNC(=O)Nc1ccc(cc1)-c1nc2C[C@@H]3CC[C@@H](N3C(C)=O)c2c(n1)N1CCOC[C@@H]1C |r,THB:21:20:14.24.15:18.17|
CCNC(=O)Nc1ccc(cc1)-c1nc2C[C@@H]3CC[C@@H](N3C3COC3)c2c(n1)N1CCOC[C@@H]1C |r,THB:21:20:14.25.15:18.17|
CCNC(=O)Nc1ccc(cc1)-c1nc2[C@H]3CC[C@@H](Cc2c(n1)N1CCOC[C@@H]1C)N3S(C)(=O)=O |r,THB:31:30:19.14.20:17.16|
CCNC(=O)Nc1ccc(cc1)-c1nc2[C@H]3CC[C@@H](Cc2c(n1)N1CCOC[C@@H]1C)N3C1COC1 |r,THB:31:30:19.14.20:17.16|
CC(C)CCOc1ccc2N[C@H](C3CCOCC3)[C@@H]3CCCO[C@@H]3c2c1 |r|
CC(C)(C)C(=O)NCCC1CCN(CC1)c2c3c(cc(s3)C(=O)N)ncn2
COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN(CCO)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN(C)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1n[nH]c2ccc(OC(F)F)cc12
Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2cc(OC(F)F)ccc12
Cn1nc(-c2cnc3[nH]cc(C(=O)N[C@H]4C[C@H](O)C4)c3n2)c2ccc(F)cc12 |r,wU:14.13,wD:16.16,(51.18,-33.62,;49.64,-33.47,;48.62,-34.62,;47.21,-34,;45.88,-34.78,;45.88,-36.33,;44.55,-37.1,;43.21,-36.33,;41.74,-36.81,;40.83,-35.56,;41.73,-34.31,;41.25,-32.85,;42.28,-31.7,;39.74,-32.53,;39.26,-31.07,;37.89,-30.38,;38.58,-29.01,;38.1,-27.54,;39.95,-29.7,;43.2,-34.78,;44.54,-34.01,;47.36,-32.47,;46.33,-31.34,;46.8,-29.88,;48.3,-29.54,;48.77,-28.08,;49.33,-30.68,;48.87,-32.14,)|
Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)CO)c3n2)c2ccc(Cl)cc12
Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2ccc(Cl)cc12
COc1ccc(cc1OC)-c1cnc2[nH]cc(C(=O)NC(C)CO)c2n1
COc1ccc(Nc2nc(nc3scnc23)-c2cccc(c2)C(=O)Nc2ccc(cc2)C(O)=O)cc1OC
c1cc(cc(c1)n2nccn2)Nc3c(cnc(n3)N[C@@H]4CCCC[C@@H]4N)C(=O)N
CC1(C(=O)N(c2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)COP(=O)(O)O)C
CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1nn(CCC(O)CO)c2cc(F)ccc12
CC(C)(CO)NC(=O)c1c[nH]c2ncc(nc12)-c1nn(CCC(O)CO)c2cc(F)ccc12
CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1nn(CCCS(C)(=O)=O)c2cc(F)ccc12
CN(C)CCCn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2cc(OC(F)F)ccc12
Cn1nc(-c2cnc3[nH]cc(C(=O)N[C@@]4(C)C[C@H](N)C4)c3n2)c2ccc(F)cc12 |r,wU:17.17,14.14,wD:14.13,(53.18,-18.88,;51.65,-18.73,;50.62,-19.88,;49.21,-19.26,;47.88,-20.04,;47.89,-21.59,;46.55,-22.36,;45.21,-21.59,;43.75,-22.07,;42.83,-20.82,;43.74,-19.57,;43.25,-18.11,;44.28,-16.96,;41.75,-17.79,;41.26,-16.33,;40.16,-17.41,;41.96,-14.96,;40.58,-14.26,;40.1,-12.8,;39.89,-15.64,;45.21,-20.04,;46.55,-19.27,;49.37,-17.72,;48.34,-16.59,;48.8,-15.14,;50.3,-14.8,;50.77,-13.34,;51.34,-15.94,;50.87,-17.4,)|
Cn1nc(-c2cnc3[nH]cc(C(=O)N[C@H]4COC[C@@H](N)C4)c3n2)c2ccc(F)cc12 |r|
Cn1nc(-c2cnc3[nH]cc(C(=O)NC4(C)CCNCC4)c3n2)c2ccc(F)cc12
CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1ncn2CCCCc12
CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1nn(C2CCNCC2)c2cc(F)ccc12
CN(C)CCCn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)CO)c3n2)c2ccc(C)cc12
CC(C)(CO)NC(=O)c1c[nH]c2ncc(nc12)-c1nn(CCCS(C)(=O)=O)c2cc(F)ccc12
COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(CO)cc1 |r|
COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)C(F)(F)F |r|
COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c(Br)[nH]1)-c1ccc(cc1)N=[N+]=[N-] |r|
COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c[nH]1)-c1ccc(cc1)N=[N+]=[N-] |r|
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO |r,c:11,17,t:7|
CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](CC[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1)Cc1ccccc1 |r|
CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc3cnco3)Cc4ccccc4
CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](CC[C@H](Cc1ccccc1)NC(=O)OCc1cnc[nH]1)Cc1ccccc1 |r|
C[C@]1(C[C@H](OC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N
CC(CC(O)=O)c1cccc(n1)-n1c(cc2ccc(OC(F)(F)F)cc12)C(N)=O
C[C@H]1COCCN1c1nc(cc(n1)C1(CC1)S(C)(=O)=O)-c1cnc(N)cc1F |r|
O=C(CN1CC[C@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r|
CS[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 |r,c:12|
CS[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc4OCOc4c3)c2c1 |r,c:12|
CS[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2)-c2ncn(C)n2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(OC(C)C)nc3)c2c1 |r,c:12|
c1ccc2c(c1)[nH]c(n2)CN(CCCCN)[C@H]3CCCc4c3nccc4
C(CN(Cc1nc2ccccc2s1)[C@H]1CCCc2cccnc12)CN1CCNCC1 |r|
C(CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)C1CCNCC1 |r|
C(CN(Cc1ncccn1)[C@H]1CCCc2cccnc12)CN1CCNCC1 |r|
C(CN(C[C@@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12)CN1CCNCC1 |r|
C(CCN1CCNCC1)CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|
Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl
Cc1ccc(CN2CC[C@@H](N3CC[C@H]([C@H](F)C3)c3ccc(O)cc3)C2=O)cc1 |r|
Nc1oncc1-n1cccn1
Nc1oncc1-c1ccsc1
Nc1oncc1-n1cc(F)cn1
Nc1oncc1-c1ccccc1
CNC(=O)c1nnc2ccc(cc2c1N[C@@H](C)C1CCOCC1)-c1ccc(OCCCN(C)C)nc1 |r|
C[C@H](Nc1c(nnc2ccc(cc12)-c1ccc(OCCCN(C)C)nc1)C(N)=O)C1CCOCC1 |r|
CNc1nc(C)c2cc(cc(OC3CCOCC3)c2n1)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2F)c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(O[C@@H]2CCOC2)c2nc(N)nc(C)c2c1 |r|
CNc1nc(C)c2cc(cc(O[C@@H]3CCOC3)c2n1)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2F)c1 |r|
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OC2CCOCC2)c2nc(N)nc(C)c2c1
Cc1ccncc1C#CCN
Cc1ccncc1-c1ccc(CN)o1
Cc1ccncc1-c1ccc(CN)s1
NCC#Cc1cnccc1-c1ccccc1
NCC#Cc1cnccc1-c1cccnc1
CCCc1ccncc1-c1ccc(CN)o1
NCc1ccc(o1)-c1cnccc1-c1cncnc1
NCc1ccc(s1)-c1cnccc1-c1ccccc1
NCc1ccc(s1)-c1cnccc1-c1cncnc1
CCCc1ccncc1C#CCN
Cc1ccc(cn1)C#CCN
CCc1ccncc1C#CCN
COc1ccncc1C#CCN
NCC#Cc1cnccc1-c1ccco1
NCC#Cc1cnccc1-c1ccncc1
NCC#Cc1cnccc1-c1cncnc1
CCc1ccncc1-c1ccc(CN)o1
COc1ccncc1-c1ccc(CN)o1
NCc1ccc(o1)-c1cnccc1-c1ccco1
NCc1ccc(o1)-c1cnccc1-c1ccncc1
NCc1ccc(o1)-c1cnccc1-c1cccnc1
COc1ccncc1-c1ccc(CN)s1
CCCc1ccncc1-c1ccc(CN)s1
NCc1ccc(s1)-c1cnccc1-c1ccco1
NCc1ccc(s1)-c1cnccc1-c1ccoc1
NCc1ccc(s1)-c1cnccc1-c1ccncc1
NCC#Cc1cnccc1-c1ccoc1
NCc1ccc(o1)-c1cnccc1-c1ccccc1
NCc1ccc(s1)-c1cnccc1-c1cccnc1
NCc1ccc(o1)-c1cnccc1-c1ccoc1
CCc1ccncc1-c1ccc(CN)s1
CCCS(=O)(=O)NCCOc1ccc2CCNC(c2c1)C1(CCC1)c1ccc(Cl)cc1
CCCS(=O)(=O)NCCOc1ccc2CC[C@H](N)[C@H](Cc3ccc(Cl)c(Cl)c3)c2c1 |r|
Oc1ccc2CCNC(c2c1)C1(CCC1)c1ccc(Cl)cc1
C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C#CC(C)(C)C)O)c5ccc(cc5)N(C)C
[H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C(C)C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:37|
CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCOCC4)c3c2c1
c1ccc(cc1)[C@@H](CO)NC(=O)c2ccc3c(c2)/C(=C(\c4ccccc4)/c5[nH]ccn5)/C(=O)N3
C[C@H]1CN(C[C@@H](C)N1C)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 |r|
[H][C@]12CCCN1CCN(C2)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 |r|
[H][C@@]12CCCN1CCN(C2)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 |r|
CN(C[C@H]1Cc2c(CN1C)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 |r|
CN(C[C@H]1Cc2c(CN1C)cccc2N1CCN(C)CC1)[C@H]1CCCc2cccnc12 |r|
CN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 |r|
CN(C[C@@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 |r|
CCN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 |r|
CCCN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 |r|
C(C1CC1)N(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 |r|
CC(C)N(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 |r|
C(C1CCCCC1)N(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 |r|
FC1(F)CCC(CN(C[C@H]2Cc3c(CN2)cccc3N2CCNCC2)[C@H]2CCCc3cccnc23)CC1 |r|
OCCN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 |r|
COCCN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cccnc12 |r|
CN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)Cc1ncc(C)cc1C |r|
CN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)Cc1ccc(C)cn1 |r|
CN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)[C@H]1CCCc2cc(C)cnc12 |r|
[H][C@@]12CN(c3cccc4CN[C@@H](CN(C)[C@H]5CCCc6cccnc56)Cc34)[C@@]([H])(CN1)C2 |r|
[H][C@]12CN(c3cccc4CN[C@@H](CN(C)[C@H]5CCCc6cccnc56)Cc34)[C@]([H])(CN1)C2 |r|
CN(C[C@H]1Cc2c(CN1)cccc2N1CCNC(C)(C)C1)[C@H]1CCCc2cccnc12 |r|
CN(C[C@H]1Cc2c(CN1)cccc2N1CCN(C)CC1)[C@H]1CCCc2cccnc12 |r|
CCN1CCN(CC1)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 |r|
CN(C[C@H]1Cc2c(CN1)cccc2N1CCN(CC1)C1CC1)[C@H]1CCCc2cccnc12 |r|
CN(C[C@H]1Cc2c(CN1)cccc2N1CCN(CC1)C1COC1)[C@H]1CCCc2cccnc12 |r|
CN(C[C@H]1Cc2c(CN1)cccc2N1CCN(CC1)c1cccc(c1)C(F)(F)F)[C@H]1CCCc2cccnc12 |r|
CN(C[C@H]1Cc2c(CN1)cccc2N1CCN(CC1)c1ncccn1)[C@H]1CCCc2cccnc12 |r|
CN(C[C@H]1Cc2c(CN1)cccc2N1CCN(Cc2ccccn2)CC1)[C@H]1CCCc2cccnc12 |r|
CN(C[C@H]1Cc2c(CN1)cccc2N1CCNCC1)Cc1ncccc1C |r|
[H][C@@]12CCCN(C[C@H]3Cc4c(CN3)cccc4N3CCN(C)CC3)[C@]1([H])c1ncccc1CC2 |r|
C[C@H]1CN(C[C@@H](C)N1)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 |r|
CC(C)N1CCN(CC1)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 |r|
CN(C[C@H]1Cc2c(CN1)cccc2N1CCN(CC1)c1ccccn1)[C@H]1CCCc2cccnc12 |r|
c1cc2c(c(c1Oc3cc(cc(c3)F)C#N)C(F)F)[C@H](C(S2(=O)=O)(F)F)O
CS(=O)(=O)c1ccc(c2c1[C@@H](C(C2)(F)F)O)Oc3cc(cc(c3)F)C#N
CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)c1nccs1 |c:5,16|
[H][C@]1(CCCN(C1)C(=O)[C@H]1C[C@@H](N)[C@@H](O)C1)C(O)(CCCNC(=O)OC)c1cccc(Cl)c1-c1cccc(CC)c1 |r|
[H][C@]1(CCCN(C1)C(=O)CCCNC)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r|
[H][C@]1(CCCN(C1)C(=O)CC(O)CNC)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r|
[H][C@]1(CCCN(C1)C(=O)[C@@H]1CC[C@H](N)C1)C(O)(CCCNC(=O)OC)c1cccc(Cl)c1-c1cccc(CC)c1 |r|
[H][C@]1(CCCN(C1)C(=O)CCCN)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r|
[H][C@]1(CCCN(C1)C(=O)CC(O)CN)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r|
[H][C@]1(CCCN(C1)C(=O)[C@@H]1CC[C@H](N)C1)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r|
[H][C@]1(CCCN(C1)C(=O)[C@@H]1CC[C@@H](C1)NC)C(O)(CCCNC(=O)OC)c1cccc(Cl)c1-c1cccc(CC)c1 |r|
[H][C@]1(CCCN(C1)C(=O)CCCNC)C(O)(CCCNC(=O)OC)c1cccc(Cl)c1-c1cccc(CC)c1 |r|
[H][C@]1(CCCN(C1)C(=O)CC(CNC)OC)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r|
FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1
N[C@@H]1CCC=C([C@H]1COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccc(F)cc1
CCN[C@@H]1CCC=C([C@H]1COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccc(F)cc1
N[C@@H]1CCC=C([C@H]1COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1ccc(F)cc1 |r,c:4|
CCN[C@@H]1CCC=C([C@H]1COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1ccc(F)cc1
N[C@@H]1CCC=C([C@H]1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1)c1ccc(F)cc1
N[C@@H]1CCC=C([C@H]1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccc(F)cc1
N[C@@H]1CCC=C([C@H]1CSc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccc(F)cc1
CCN[C@@H]1CCC=C([C@H]1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccc(F)cc1
COc1nccc([C@H](c2cc3cc(Br)ccc3nc2OC)[C@@](O)(CCN(C)C)c2cccc(c2)C#N)c1OC |r|
CN(C)CC[C@@](c1cccc2c1cccc2)([C@H](c3ccccc3)c4cc5cc(ccc5nc4OC)Br)O
COc1nc2ccc(Br)cc2cc1[C@@H](c1cc(C)c(C)s1)[C@@](O)(CCN(C)C)c1cccc(F)c1 |r|
COc1nc2ccc(Br)cc2cc1[C@@H](c1ccc(nc1)N(C)C)[C@@](O)(CCN(C)C)c1cccc(F)c1 |r|
CCSc1ccc(cn1)[C@H](c1cc2cc(Br)ccc2nc1OC)[C@@](O)(CCN(C)C)c1cccc(F)c1 |r|
COc1cc(cnc1OC)[C@H](c1cc2cc(Br)ccc2nc1OC)[C@@](O)(CCN(C)C)c1cccc(F)c1 |r|
COc1nccc([C@H](c2cc3cc(Br)ccc3nc2OC)[C@@](O)(CCN(C)C)c2cccc(C)c2)c1OC |r|
COc1nc2ccc(Br)cc2cc1[C@@H](c1cccnc1N(C)C)[C@@](O)(CCN(C)C)c1cccc(F)c1 |r|
COc1nc2ccc(Br)cc2cc1[C@@H](c1cncc(C)c1)[C@@](O)(CCN(C)C)c1cccc(F)c1 |r|
COc1nc2ccc(Br)cc2cc1[C@@H](c1ccnc(OC)c1OC)[C@@](O)(CCN(C)C)c1cccc(OC(F)F)c1 |r|
c1cc(ccc1CC(=O)Nc2ccn(n2)Cc3ccc(cn3)C#N)C4(CC4)C(F)(F)F
Cc1cc(CC(=O)Nc2ccn(Cc3ccc(cn3)C#N)n2)ccc1OCC(F)(F)F
Cc1cc(CC(=O)Nc2ccn(Cc3ccc(cn3)C#N)n2)ccc1OC(F)(F)F
Cc1cc(CC(=O)Nc2ccn(Cc3ccc(cn3)C#N)n2)ccc1OCCC(F)(F)F
O=C(\C=C\c1ccc2OCOc2c1)c1ccncc1
COc1ccc(\C=C\C(=O)c2ccncc2)cc1OC
CCOc1cc(\C=C\C(=O)c2ccncc2)cc(OC)c1OC
COc1cc(\C=C\C(=O)c2ccncc2)cc(OC)c1OC
COc1cccc(\C=C\C(=O)c2ccncc2)c1
COc1ccc(\C=C\C(=O)c2ccncc2)cc1
COc1ccc(\C=C\C(=O)c2ccncc2)c(OC)c1OC
CCOc1c(OC)cc(\C=C\C(=O)c2ccncc2)cc1OC
CCOc1cc(\C=C\C(=O)c2ccncc2)cc(OCC)c1OCC
O=C(\C=C\c1cccc2ccccc12)c1ccncc1
CCOc1cc(\C=C\C(=O)c2ccncc2)cc(OC)c1OCC
COc1cc(OC)cc(\C=C\C(=O)c2ccncc2)c1
COc1ccccc1\C=C\C(=O)c1ccncc1
N[C@H]1CCN(C1)c1cc2n(C3CC3)c(=O)c3ncnn3c2cc1F |r|
Fc1cc2c(cc1-c1ccncc1)n(C1CC1)c(=O)c1nccn21
c1cn-2c(n1)C(=O)N(c3c2cc(c(c3)N4CC[C@@H](C4)N)F)C5CC5
CCN(CC)[C@@H](C)CNC(=O)c1cc(nc(c1)-c1cnn2ccc(nc12)-c1cccs1)N1CC(C1)OC |r|
CC(C)(C)Cn1ncn(-c2ccc(nc2)C(F)(F)C(O)(Cn2cnnn2)c2ccc(F)cc2F)c1=O
OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-c1ccc(OCC(F)(F)F)cc1
OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-n1cnn(C2CCCCC2)c1=O
OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(cn1)-n1cnn(C2CCCC2)c1=O
[#6]\[#6](-[#6])=[#6]\[#6]-c1cc(ccc1-[#8])-[#6]-1-[#6]-[#6](=O)-c2ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#8]-1
CC1(C)CCC(C)(C)c2c(Cl)c(O)c(cc12)C(=O)Nc1cc(F)c(C(O)=O)c(F)c1
CCOc1c(Cl)cc(cc1OC(C)C)C(=O)Nc1ccc(C(O)=O)c(C)c1
CCCCNc1nc(N)nc2cccc(OCc3ccccc3OC)c12
CCCCNc1nc(N)nc2cccc(OCc3ccccn3)c12
CCCCNc1nc(N)nc2cccc(OCc3cccnc3)c12
CCCCNc1nc(N)nc2cccc(C(=O)NCc3ccccc3)c12
CCCCNc1nc(N)nc2cccc(C(=O)N(C)Cc3ccccc3)c12
CCCCNc1nc(N)nc2cccc(C(=O)N[C@H](C)c3ccccc3)c12 |r|
CCCCNc1nc(N)nc2cccc(OCc3nccc(OC)c3OC)c12
CCCCNc1nc(N)nc2cccc(C(=O)N[C@@H](C)c3ccccc3)c12 |r|
CCCCNc1nc(N)nc2cccc(OCc3ccc(CO)cc3OC)c12
CCCCNc1nc(N)nc2cccc(C(=O)NC(C)C)c12
CCCCNc1nc(N)nc2cccc(C(=O)NC)c12
CNc1ccc(cn1)C(N)=O
Cc1ncc(cn1)C(=O)Nc1ccc(cn1)-c1cccc(OC2CC2)c1
Cc1ncc(cn1)C(=O)Nc1ccc(cn1)-c1ccsc1
Cc1ncc(cn1)C(=O)Nc1ccc(cn1)-c1cccc(c1)S(=O)(=O)C1CC1
CN(C)C(=O)c1ccc(OCCCCC[C@H]2CC[C@@]3(COC(C)(C)C3)CC2)cc1 |r,wU:18.18,15.14,(64.45,-53.91,;64.45,-55.45,;63.12,-56.22,;65.78,-56.22,;65.78,-57.76,;67.12,-55.45,;68.45,-56.22,;69.79,-55.45,;69.78,-53.9,;71.11,-53.13,;72.45,-53.89,;73.78,-53.12,;75.12,-53.88,;76.45,-53.11,;77.79,-53.87,;79.12,-53.1,;79.1,-51.56,;80.44,-50.78,;81.79,-51.55,;81.71,-50.02,;83.14,-49.47,;84.11,-50.66,;85.44,-49.88,;85.45,-51.42,;83.28,-51.95,;81.77,-53.09,;80.45,-53.86,;68.45,-53.14,;67.12,-53.91,)|
NC(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(O)cc1
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
O=C(N1CCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2c1
O=C(N1CCOCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
O=C(N1CCOCC1)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
O=C(N1CCNCC1)c1ccc(cc1)-c1ccc2ncc(-c3ccc(cc3)C#N)n2n1
CN(C)C1CCN(CC1)C(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(cc1)C#N
COc1cc2CNCc2cc1-n1cnc2ccc(cc12)-c1ccnc2[nH]ccc12
COCCCN1CCC(CC1)c1nnc(o1)-c1cccc2cc(nn12)C(C)C
CC(C)c1cc2cccc(-c3nnc(o3)C3CCN(CC4CCOCC4)CC3)n2n1
CS(=O)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1N1CCC(CC1)(C#N)c1ccccc1
CS(=O)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1-c1ccc(cc1)C1(CC1)C#N
[H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C\C(=N\O)[C@@]2([H])C[C@@H](O)CC[C@]12C |r,t:3|
COCCOc1ccc(cc1F)N1CCN(CCn2c3nc(N)n4nc(nc4c3n(C)c2=O)-c2nccs2)CC1
CN(C)c1ccc(cc1Cl)N1C(=O)CN(Cc2ccc(F)cc2)C1=S
COc1cc(ccc1N(C)C)N1C(=O)CN(Cc2ccc(F)cc2Cl)C1=S
COc1ccc(cc1Cl)N1C(=O)CN(Cc2ccccc2)C1=S
Cc1csc(NC(=O)c2cc(cc3cccnc23)C(F)(F)c2cncnc2)n1
C[C@]1(C=C(OC(=N1)N)CF)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N
O[C@@H]1CCN(C1)c1ncc(cc1-c1cc[nH]n1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r|
COCCNc1cc(O)c2c(c1)oc1c(Cc3ccc4OCOc4c3)[nH]c(-c3nccs3)c1c2=O
COc1cc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OCCO)c1
COc1cncc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1
COc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2nc3ccccc3o2)c1
COc1cc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OC)c1
COc1cc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2CCCc12 |r|
COc1cc2ccc(Br)cc2cc1[C@@H](c1cccc(C)c1)[C@@](O)(CCN(C)C)c1cccc2OCOc12 |r|
COc1cc2ccc(Br)cc2cc1[C@@H](c1ccnc(OC)c1OC)[C@@](O)(CCN(C)C)c1ccc2occc2c1 |r|
COc1cc2ccc(cc2cc1[C@@H](c1cccc(C)c1)[C@@](O)(CCN(C)C)c1cccc2OCOc12)C#N |r|
COc1cc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccoc12 |r|
COc1cc2ccc(cc2cc1[C@@H](c1cccc(F)c1)[C@@](O)(CCN(C)C)c1cccc2ccoc12)C#N |r|
COc1cc2ccc(Br)cc2cc1[C@@H](c1ccnc(OC)c1OC)[C@@](O)(CCN(C)C)c1cccc2ccoc12 |r|
COc1cc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1ccc2occc2c1 |r|
COc1cc2ccc(Br)cc2cc1[C@@H](c1ccnc(OC)c1OC)[C@@](O)(CCN(C)C)c1cc2ccccc2o1 |r|
COc1cc2ccc(Br)cc2cc1[C@@H](c1cccc(C)c1)[C@@](O)(CCN(C)C)c1cccc2OCCOc12 |r|
COc1cc2ccc(Br)cc2cc1[C@@H](c1cccnc1OC)[C@@](O)(CCN(C)C)c1cccc2ccoc12 |r|
COc1cc2ccc(cc2cc1[C@@H](c1ccnc(OC)c1OC)[C@@](O)(CCN(C)C)c1cccc2CCOc12)C#N |r|
CCOc1cc(cc(OCC)n1)[C@H](c1cc2cc(Br)ccc2cc1OC)[C@@](O)(CCN(C)C)c1cccc2ccoc12 |r|
COc1cc2ccc(cc2cc1[C@@H](c1cccc(F)c1)[C@@](O)(CCN(C)C)c1cc2ccccc2o1)C#N |r|
Cc1cn2c(cnc2c(Nc2cc(Cc3ccccn3)ns2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2cc(ns2)C(NC(C)(C)C)c2ccccn2)n1)-c1cn[nH]c1
Cc1n[nH]c2CN(Cc12)C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1 |t:11|
C[C@H]1N(Cc2c[nH]nc12)C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1 |r,t:11|
CCOc1c2C(=O)N(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC(O)=O)cc1
CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1noc-2c1CCc1ccccc-21 |r|
CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1noc2c1ccc1ccccc21 |r|
CC(C)Oc1ccc(Oc2ncc(\C=C\[C@H](C)NC(C)=O)s2)cc1 |r|
C[C@H](NC(C)=O)\C=C\c1ccc(Oc2ccc3nc(sc3c2C(F)(F)F)C(C)C)nc1 |r|
C[C@H](NC(C)=O)\C=C\c1ccc(Oc2ccc3sc(nc3c2Cl)C(C)C)nc1 |r|
COC(=O)N[C@@H](C)\C=C\c1cnc(Oc2ccc(OC(C)C)cc2)s1 |r|
CCOc1ccc(Oc2ncc(\C=C\[C@H](C)NC(C)=O)s2)cc1 |r|
C[C@H](NC(C)=O)\C=C\c1cnc(Oc2ccc(OCC3CC3)cc2Cl)s1 |r|
C[C@H](NC(C)=O)\C=C\c1nnc(Oc2ccc(OCC3CC3)cc2Cl)s1 |r|
C[C@H](NC(C)=O)\C=C\c1cnc(Oc2ccc(OCC3CC3)cc2Cl)nc1 |r|
CCOc1ccc(Oc2ccc(\C=C\[C@H](C)NC(C)=O)cn2)c(Cl)c1 |r|
C[C@H](NC(C)=O)\C=C\c1ccc(Oc2ccc(OCCF)cc2Cl)nc1 |r|
C[C@H](NC(C)=O)\C=C\c1ccc(Oc2ccc3nc(C)sc3c2Cl)nc1 |r|
C[C@H](NC(C)=O)\C=C\c1ccc(Oc2cc3sc(C)nc3cc2Cl)nc1 |r|
C[C@H](NC(C)=O)\C=C\c1ccc(Oc2ccc3nc(sc3c2Cl)C(C)(C)O)nc1 |r|
C[C@H](NC(C)=O)\C=C\c1ccc(Oc2ccc3nc(sc3c2F)C(C)C)nc1 |r|
C[C@H](NC(C)=O)\C=C\c1ccc(Oc2ccc(OCC3CC3)cc2Cl)nn1 |r|
C[C@H](NC(C)=O)\C=C\c1ccc(Oc2ccc3nc(sc3c2Cl)C(C)C)nc1 |r|
C[C@H](NC(C)=O)\C=C\c1cnc(Oc2ccc(OCC3CC3)cc2)s1 |r|
C[C@H](NC(C)=O)\C=C\c1ccc(Oc2ccc(OCC3CC3)cc2Cl)nc1 |r|
C[C@H](NC(C)=O)\C=C\c1ccc(Oc2ccc(OCC(F)F)cc2Cl)nc1 |r|
C[C@H](NC(C)=O)\C=C\c1cnc(Oc2ccc(OCC3CC3)cc2Cl)cn1 |r|
C[C@H](NC(C)=O)\C=C\c1cnc(Oc2ccc(OCC3CC3)cc2Cl)n1C |r|
CCOc1nc2ccc(Oc3ccc(\C=C\[C@H](C)NC(C)=O)cn3)c(Cl)c2s1 |r|
O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1nsc2ccccc12)c1cncc2ccccc12 |r|
O=S(=O)(N1CCC[C@H]1CCN1CCN(CC1)c1cccc2sccc12)c1cncc2ccccc12 |r|
CS(=O)(=O)c1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
O=C(Cc1cccc(OCCN2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
O=C(Cc1ccc2OCOc2c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
CN(C)S(=O)(=O)c1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
CN1CCN(CCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1
O=C(Cc1cccc(c1)C#N)Nc1nc(cs1)-c1c[nH]c2ncccc12
CCCNS(=O)(=O)c1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
CC(C)NS(=O)(=O)c1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
COCCNS(=O)(=O)c1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
CCS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
CCCS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
CC(C)S(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1
CCNS(=O)(=O)c1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
CCCCS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
CC(C)(C)c1[nH]cnc1\C=c1/[nH]c(=O)\c(=C\c2ccccc2)[nH]c1=O
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Cc1nnc(n1C2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4cccs4)NC(=O)C5CCCC5)C(C)C
Cc1nnc(n1C2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4ccsc4)NC(=O)C5CCC(CC5)(F)F)C(C)C
[H][C@]12CC[C@]([H])(C[C@H](C1)n1c(C)nnc1C(C)C)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cccs1 |r,TLB:19:18:7.6.8:3.2,THB:9:7:18:3.2|
[H][C@]12CC[C@]([H])(C[C@H](C1)n1c(C)nnc1C(C)C)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(C)s1 |r,TLB:19:18:7.6.8:3.2,THB:9:7:18:3.2|
[H][C@]12CC[C@]([H])(C[C@H](C1)n1c(C)nnc1C(C)C)N2CC[C@H](NC(=O)C1CCCCC1)c1cccs1 |r,TLB:19:18:7.6.8:3.2,THB:9:7:18:3.2|
CS(=O)(=O)Nc1nnc2cc(OCC34CC5CC(CC(C5)C3)C4)c(cn12)C1CC1 |TLB:22:13:20:16.18.17,16:17:21:15.20.14,THB:22:17:20:21.13.14,16:15:21:22.18.17,12:13:20:16.18.17|
O=S(=O)(Nc1nnc2cc(OCC34CC5CC(CC(C5)C3)C4)c(cn12)C1CC1)C1CC1 |TLB:21:12:19:15.17.16,11:12:19:15.17.16,THB:17:18:13:15.16.21,17:16:13:19.18.20,21:16:19:12.13.20|
CS(=O)(=O)Nc1nnc2cc(COc3cc(Cl)cc(Cl)c3)c(cn12)C1CC1
CCC(C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@@H]3CO[C@](Cn4cnnn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O |r|
OCC1CCCC(CC1)c1ccc(O)cc1
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3ccc(Cl)cc3O2)cc1 |r|
Cn1cc(Cn2c(=O)n(CC3COC3)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)cn1
Cc1cc(Cn2c(=O)n(CC3COC3)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)on1
CCOc1nc(Cl)ccc1C1(N2CCN(CC2)c2ccnc(C)c2)C(=O)N(c2ccc(cc12)C#N)S(=O)(=O)c1ccc(OC)cn1
CCOc1nc(Cl)ccc1C1(N2CCN(CC2)c2ccncc2)C(=O)N(c2ccc(cc12)C#N)S(=O)(=O)c1ccc(OC)cn1
CCC[C@@H](CCO)Nc1nc(N)nc2CCN(Cc12)C(=O)c1csc(C)n1 |r|
CC1CC(CC(C)(C)C1)C(=O)Nc1nc2ccc(Cl)cc2s1
CC1CC(CC(C)(C)C1)C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1
CC1CC(C)CC(C1)C(=O)Nc1nc2ccc(cc2s1)C(F)(F)F
CC1CC(CC(C)(C)C1)C(=O)Nc1nc2ccc(Br)cc2s1
CCCCc1ccccc1NCc1ccc(s1)C(=O)Nc1nc(CC(O)=O)cs1
COCCCOc1cc2C[C@@H](C(C)C)n3cc(C(O)=O)c(=O)cc3-c2cc1OC |r|
C[C@@H]1COCCN1c1cc(nc(n1)-c1cncc2[nH]ccc12)C1(CC1)S(C)(=O)=O |r|
CNc1nc2ccccc2n1-c1nc(cc(n1)C1(CC1)[S@](C)(=N)=O)N1CCOC[C@H]1C |r|
C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1(CC1)[S@](C)(=N)=O |r|
CNc1nc2ccccc2n1-c1nc(cc(n1)C1(CC1)S(C)(=O)=O)N1CCOC[C@H]1C |r|
[H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cccc(c1)C#N)c1ncc(F)c(n1)N1CCCC1 |r|
[H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cccc(c1)C#N)c1nc(C)c(F)c(OC)n1 |r|
[H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cccc(c1)C#N)c1ncc(F)c(OCC)n1 |r|
CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ncccn1)c1cc(cs1)-c1cccc(c1)C#N |r,c:3|
[H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cc(OC)cc(c1)C#N)c1ncc(F)cn1 |r|
[H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cccc(c1)C#N)c1nc(C)c(F)c(C)n1 |r|
CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ccc(F)cc1)c1cc(cs1)-c1cccc(c1)C#N |r,c:3|
[H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1ccc(F)c(c1)C#N)c1ncc(F)cn1 |r|
[H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cccc(c1)C#N)c1ncc(F)c(n1)N1CCOCC1 |r|
[H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cccc(c1)C#N)c1ncc(F)c(OCCC)n1 |r|
[H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cccc(c1)C#N)c1ncc(F)c(CC)n1 |r|
[H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cccc(c1)C#N)c1ncc(F)c(C)n1 |r|
[H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(Br)cs1)c1ncc(F)cn1 |r|
[H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cccc(Cl)c1)c1ncc(F)cn1 |r|
[H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cc(F)cc(c1)C#N)c1ncc(F)cn1 |r|
[H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1ccc(Cl)c(c1)C#N)c1ncc(F)cn1 |r|
[H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cc(F)cc(F)c1)c1ncc(F)cn1 |r|
CCOc1cc(CN2CCC3(CN(C(=O)C3)c3ccc(cc3)C(O)=O)CC2)cc(OCC)c1-c1ccc(F)cc1
CC(=O)Nc1cc(ccn1)-c1[nH]c2cccnc2c1-c1cccc(n1)C(F)F
[2H]C([2H])([2H])Oc1ccc(nc1)-c1c([nH]c2cccnc12)-c1ccnc(NC(C)=O)c1
FC(F)(F)S(=O)(=O)N1CCC(CC1)Nc1cc(=O)[nH]c2ccc(cc12)C(c1nccs1)c1ccc(Cl)cc1
FC(F)(F)S(=O)(=O)N1CCC(CC1)Nc1cc(=O)[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
FC(F)(F)c1ccc(\C=C\c2cc(=O)[nH]c3ccc(cc23)C(c2nccs2)c2ccc(Cl)cc2)cc1
CCc1ccc(cc1)N1CC(CC1=O)C(=O)OC
CCc1ccc(OCC(=O)Nc2ccc(C)cc2Br)cc1
Cc1ccc(C)c(OCN2Cc3ccccc3C2C=O)c1
CCc1ccc(CCNS(=O)(=O)c2ccc(SC)cc2)cc1
CC(C)c1ccc(OCC(=O)Nc2nc3ccccc3s2)cc1
CCc1ccc(OCC(=O)NCc2cccc3ccccc23)cc1
CCc1ccc(OCC(=O)NCCc2ccccc2)cc1
O=C(CCN1C(=O)c2ccccc2C1=O)N1CCCCC1
COc1ccc2OCC3(C(=O)N(Cc4ccc(o4)C(F)(F)F)c4ccccc34)c2n1
Cc1nc(C(=O)N2CC3(CC3)C[C@H]2CNc2ccc(cn2)C(F)(F)F)c(s1)-c1ccccc1 |r|
Cc1ccc(-c2ncccn2)c(n1)C(=O)N1CC2(CC2)C[C@H]1CNc1ccc(cn1)C(F)(F)F |r|
Cc1nc(C(=O)N2CC3(CC3)C[C@H]2CNc2nc(C)cc(C)n2)c(s1)-c1ccccc1 |r|
Cc1ccc(-c2ccccc2)c(n1)C(=O)N1CC2(CC2)C[C@H]1CNc1ccc(cn1)C(F)(F)F |r|
FC(F)(F)c1ccc(cc1)N1CCN(CC1)C(=O)C(c1ccc(cc1)C#N)c1cccnc1
FC(F)(F)c1ccc(cc1)N(C1CCN(CC1)c1ccc(nc1)C(F)(F)F)c1cccnc1
FC(F)(F)c1ccc(cn1)N1CCN(CC1)C(=O)C(c1ccc(Cl)cc1)c1cccnc1
FC(F)(F)c1ccc(cc1)N1CCC(CC1)N(c1ccc(cc1)C#N)c1cccnc1
FC(F)(F)c1ccc(nc1)N1CCN(CC1)C(=O)C(c1ccc(cc1)C#N)c1cccnc1
FC(F)(F)c1ccc(nc1)N1CCN(CC1)C(=O)C(c1ccc(Cl)cc1)c1cccnc1
FC(F)(F)c1ccc(cn1)N1CCN(CC1)C(=O)C(c1ccc(cc1)C#N)c1cccnc1
FC(F)(F)c1ccc(cc1)N(C1CCN(CC1)c1ccc(cn1)C(F)(F)F)c1cncnc1
CS(=O)(=O)c1ccc(cc1)N1CCC(CC1)N(c1ccc(cc1)C#N)c1cccnc1
FC(F)(F)c1ccc(cc1)N(C1CCN(CC1)c1ccccc1C#N)c1cccnc1
Cc1ccccc1CN1CCC(CC1)N(c1ccc(cc1)C(F)(F)F)c1cccnc1
FC(F)(F)c1ccc(cc1)N1CCN(CC1)C(=O)[C@H](c1ccc(Cl)cc1)c1cccnc1 |r|
CS(=O)(=O)c1ccc(cc1)N1CCN(CC1)C(=O)C(c1ccc(cc1)C#N)c1cccnc1
CS(=O)(=O)c1ccc(cc1)N1CCN(CC1)C(=O)C(c1ccc(Cl)cc1)c1cccnc1
FC(F)(F)c1ccc(cc1)N(C1CCN(CC1)c1ccc(Cl)cc1)c1cccnc1
FC(F)(F)c1ccc(cc1)N1CCN(CC1)C(=O)C(c1ccc(Cl)cc1)c1cccnc1
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5cccc(c5)C(=O)N)CCBr
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@H](Cc1cccc(c1)C(N)=O)[C@@H]2O |r|
Fc1ccc(NC(=O)N2CCCC2)cc1-c1nc2cc(cnc2[nH]1)-c1ccccc1
Cn1cncc1[C@@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(CC2)C(=O)OC(C)(C)C)c2ccc(Cl)cc12 |r,t:10|
CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)Oc4c5ccc(cc5ccn4)OC)NC(=O)OC(C)(C)C
[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)[C@H](C[C@]12C)N1CCN(CC1)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2n1 |r|
Cc1noc(n1)[C@H]1C[C@@H]1C(=O)NCc1ccc(-c2cccc(OC(F)(F)F)c2)c2CCN(Cc12)C(=O)NC(C)(C)C |r|
CB1Nc2cccc(OCC(O)CN(C)C)c2C=C1 |c:18|
CB1Nc2c(OCC(O)CN(C)C)cccc2C=C1 |c:18|
CC(C)NC[C@@H](COc1cccc2c1cccc2)O
[H][C@@]12CN(CC(C)(C)O)C[C@]1([H])[C@H]2CNC(=O)c1nc(C(C)C)n2ccccc12 |r|
[H][C@@]12CN(CCCOC)C[C@]1([H])[C@H]2CNC(=O)c1nc(C(C)C)n2ccccc12 |r|
CC(C)N1CCC(CC1)NC(=O)c1nc(C(C)C)n2ccccc12
CC(C)c1nc(C(=O)NC2CCN(CC3CC3)CC2)c2ccccn12
CC(C)c1nc(C(=O)NC2CCN(CCF)CC2)c2ccccn12
[H][C@@]12CN(CC(C)(C)F)C[C@]1([H])[C@H]2CNC(=O)c1nc(C(C)C)n2ccccc12 |r|
CC(C)c1nc(C(=O)NCC2CCN(CC3CCOCC3)CC2)c2ccccn12
COCCCN1CCC(CC1)NC(=O)c1nc(C(C)C)n2ccccc12
[H][C@@]12CN(CC3CCN(CC3)C(=O)OC)C[C@]1([H])[C@H]2CNC(=O)c1nc(C(C)C)n2ccccc12 |r|
COCCCN1CCC(CNC(=O)c2nc(C(C)C)n3ccccc23)CC1
[H][C@@]12CN(CC3CCOCC3)C[C@]1([H])[C@H]2CNC(=O)c1nc(C(C)C)n2ccccc12 |r|
CN1C=C([C@@H](CC1=O)c1ccc(F)cc1)C(=O)Nc1cc(c(F)cc1C)-c1ccnn(C)c1=O |r,c:2|
COC[C@H](O)Cn1c(=O)cnn(-c2ccc(C)c(NC(=O)C3=CN(C)C(=O)C[C@H]3c3ccc(F)cc3)c2)c1=O |r,t:21|
CC(C)Cc1cc(O)c(-c2ccccc2)c(=O)[nH]1
Cc1ccc(C(O)=O)c(C)c1NC(=O)c1cc(cc2ccccc12)-c1cccc(Cl)c1
[O-][N+](=O)c1cc(cc2nc(sc12)C1=N[C@@H](CO1)C(=O)N1CCCC1)C(F)(F)F |r,t:14|
COCCN1CCN(CC1)C(=O)c1nc2cc(cc([N+]([O-])=O)c2s1)C(F)(F)F
Cc1c(cc2c(c1[N+](=O)[O-])sc(n2)C(=O)N3CCN(CC3)CCOC)C(F)(F)F
[O-][N+](=O)c1cc(cc2[n+]([O-])c(sc12)C(=O)N1CCCCC1)C(F)(F)F
Cc1c(cc2nc(sc2c1[N+]([O-])=O)C1=N[C@@H](CO1)C(=O)N1CCCC1)C(F)(F)F |r,t:15|
Cn1cc(cn1)CNc2cc(nc3n2ncc3)OC[C@H]4C[C@@H]4c5ccccn5
Cc1c(Cl)nc(OC[C@H]2C[C@@H]2c2ccccn2)nc1NCc1cnn(C)c1 |r|
Cc1c(nc(nc1Cl)C2CC2)NCc3c(nc(s3)C)C
Cc1c(nc(nc1Cl)OCCCc2ccc3ccccc3n2)NCc4c(nc(s4)C)C
Cc1nc(C)c(CNc2cc(nc3ccnn23)C2CC2)s1
CN(C)C(=O)c1cc(CN2CCOc3c(F)cccc23)c2oc(cc(=O)c2c1)N1CCOCC1
O=C(Nc1nc(cs1)C#N)C1c2ccccc2Oc2ccccc12
CC(C)c1csc(NC(=O)C2c3ccccc3Oc3ccccc23)n1
Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCOCC2)n1
COc1ccccc1N1C(SCC1=O)c1cccc(c1)C(=O)NCCc1ccc(Br)cc1
COc1ccc(cc1)-c1nc(C)nn1-c1cccc(c1)C(=O)NCCCCc1ccccc1
CCc1nc(-c2ncc(OC)cn2)n(n1)-c1cccc(c1)C(=O)NCCCCc1ccccc1
COc1ccc(cc1)-n1nc(C)nc1-c1cccc(c1)C(=O)NCCCCc1ccccc1
Fc1cccc(C2CCN(CC2)C(=O)c2nnc3ccc(cn23)C#N)c1C(F)(F)F
FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)c1nnc2ccc(cn12)C#N
Cc1cc(Cc2cc(on2)-c2ccc(Br)cc2)cc(C)c1OC(C)(C)C(O)=O
CC(C)(CN1[C@@H]2CCC[C@]1(c3c(c4ccccc4[nH]3)C2)c5c(cc(cc5F)/C=C/C(=O)O)F)F
Fc1cc(Cl)ccc1-c1ccc(Cn2nnc3ccccc23)cn1
FC(F)(F)c1cccc2n(CC3CC3)nnc12
FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CCCC2)C(F)(F)F)CC1)C(F)(F)F
FC1(F)CC(C1)NC(=O)c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12
CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2ncn3c(cc4c(F)cccc34)c2n1)-c1ccc(F)cc1
CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2CCn3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2ccn3c(cc4c(F)cccc34)c2n1)-c1ccc(F)cc1
CNC(=O)c1c(oc2cc(N(C)S(C)(=O)=O)c(cc12)-c1ccc2NCn3c(cc4c(F)cccc34)-c2n1)-c1ccc(F)cc1
COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CCN(CCN(C)C)CC4)c3)c2c1
COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CCN(C)CC4)c3)c2c1
Oc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3ncc(F)cc23)o1
[H][C@]12[C@H](C)O[C@H](C)CN1c1c(CC22C(=O)NC(=O)NC2=O)cc2c(noc2c1F)N1CC2(CC2)OC1=O |r|
Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1N1CC[C@@H](N)[C@H](F)CC1 |r|
Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1N1CC[C@@H](N)CC(F)(F)C1 |r|
c1cc(c(cc1O[C@H]2CN(C[C@]2(CN)O)S(=O)(=O)c3ccc(cn3)Cl)F)C#N
NC[C@]1(O)CN(C[C@@H]1Oc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1Cl |r|
Fc1ccc(Oc2ccc(NC(=O)N3CCc4ncccc4[C@@H]3c3ccc(Cl)cc3)cc2)cc1 |r|
Fc1ccc(Oc2ncc(NC(=O)N3CCc4ncccc4[C@@H]3c3ccc(F)cc3)cn2)cc1 |r|
CC(C)n1cc(cn1)-c1nc(Nc2ccc(N3CCC(CC3)N(C)CCCO)c(F)c2)ncc1C
CCCCN(C)C1CCN(CC1)c1ccc(Nc2ncc(C)c(n2)-c2cnn(c2)C(C)C)cc1F
CC(C)n1cc(cn1)-c1nc(Nc2ccc(N3CCC(CC3)N(C)CCN3CCN(C)CC3)c(F)c2)ncc1C
CC(C)n1cc(cn1)-c1nc(Nc2ccc(N3CCC(CC3)N(C)CCO)c(F)c2)ncc1C
c1ccc(cc1)CC(=O)Nc2ccc(c(c2)S(=O)(=O)N)Oc3cccc(c3)Cl
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#CC1(N)CC1)(C(=O)NO)S(C)(=O)=O |r|
CN1CC(C1)C#CC#Cc1cc2CN(CC[C@](C)(C(=O)NO)S(C)(=O)=O)C(=O)n2c1 |r|
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#CC1CN(CCF)C1)(C(=O)NO)S(C)(=O)=O |r|
[H][C@@]1(C[C@@H]1C#CC#Cc1cc2CN(CC[C@](C)(C(=O)NO)S(C)(=O)=O)C(=O)n2c1)[C@@H](O)CO |r|
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#C[C@H]1C[C@@H]1CO)(C(=O)NO)S(C)(=O)=O |r|
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#C[C@@H]1C[C@@]1(F)CO)(C(=O)NO)S(C)(=O)=O |r|
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#CC1CN(CCO)C1)(C(=O)NO)S(C)(=O)=O |r|
CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CCl
OC(=O)CNc1cccc(CN(Cc2ccc(cc2)-n2cccn2)S(=O)(=O)c2cccnc2)n1
CCCOc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1
COc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1
CCOc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1
O=C(NCc1cccc2OCCOc12)c1ccc(cc1)-c1ccncc1
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccnc(N)c1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1F |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccnnc1 |r|
CN(C)CCCOc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccnc(F)c1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncn1 |r|
CC(C)(c1cccn2c1nnc2C3(CC3)c4ccc(cc4)Cl)O
Cc1nn(nc1COc1cc(N)nc2[nH]nnc12)-c1ccccc1
Nc1cc(OCc2cc(ccc2Cl)-c2cccc(F)c2)c2nn[nH]c2n1
Cc1c(COc2cc(N)nc3[nH]nnc23)cccc1-c1ccn(C)n1
OC(=O)CNC(=O)c1c(O)c2COCc2n(Cc2ccc(cc2)C(F)(F)F)c1=O
CC1(OCC(COc2ccc(cc2)N2CCN(CC2)c2ccc(cc2)-n2cnn(CCC(O)=O)c2=O)O1)c1ccc(Cl)cc1Cl
CC(=O)c1cccc(c1)C(=O)Nc1ccc(cc1)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](C)(C2)c2ccc(F)cc2F)cc1 |r|
CC[C@@H](C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@@H]3CO[C@](C)(C3)c3ccc(F)cc3F)cc2)c1=O |r|
CN1CCN(CC1)c1cnc2c(ncnc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1N
CC1(C)C[C@@]2(CO1)CC[C@@H](CC2)Nc1cc(Nc2ccc(cc2F)S(C)(=O)=O)ncn1 |r,wU:4.4,9.13,(74.67,-14.14,;73.18,-14.54,;74.28,-15.62,;72.16,-15.69,;70.76,-15.07,;70.91,-13.54,;72.41,-13.21,;69.42,-14.3,;68.08,-15.07,;68.09,-16.6,;69.42,-17.38,;70.74,-16.62,;66.75,-17.38,;65.42,-16.61,;64.09,-17.38,;62.76,-16.61,;61.42,-17.38,;60.09,-16.61,;60.08,-15.06,;58.75,-14.3,;57.42,-15.07,;57.42,-16.61,;58.75,-17.38,;58.75,-18.93,;56.08,-14.3,;54.75,-15.07,;55.31,-12.96,;56.85,-12.96,;62.75,-15.07,;64.07,-14.3,;65.42,-15.06,)|
CCOc1ccc(cc1CC(O)=O)-c1ccc(CCCc2nn(-c3ccc(cc3)C(F)(F)F)c(=O)n2-c2ccccc2F)cc1 |(50.85,-41.06,;49.52,-41.85,;48.18,-41.09,;46.86,-41.88,;45.51,-41.12,;44.19,-41.9,;44.21,-43.43,;45.54,-44.2,;46.87,-43.42,;48.21,-44.18,;48.22,-45.72,;46.9,-46.5,;49.56,-46.47,;42.88,-44.22,;42.89,-45.76,;41.57,-46.54,;40.23,-45.77,;38.9,-46.55,;37.56,-45.8,;36.23,-46.58,;34.89,-45.82,;34.41,-44.35,;32.87,-44.36,;31.96,-43.12,;32.59,-41.71,;31.68,-40.47,;30.15,-40.63,;29.53,-42.05,;30.44,-43.29,;29.24,-39.39,;29.86,-37.98,;27.71,-39.56,;28.14,-38.29,;32.4,-45.83,;30.94,-46.31,;33.65,-46.72,;33.66,-48.26,;34.99,-49.03,;35,-50.58,;33.66,-51.35,;32.33,-50.58,;32.33,-49.03,;31,-48.26,;40.21,-44.24,;41.53,-43.46,)|
CS(=O)(=O)c1cc(CNC(=O)c2cncc3n(ncc23)-c2ccc(F)cc2)ccn1
CS(=O)(=O)c1cc(ccn1)C1(CC1)NC(=O)c1cncc2n(ncc12)-c1ccc(F)cc1
CC[C@H](NC(=O)c1cncc2n(ncc12)-c1ccc(F)cc1)c1ccnc(c1)S(C)(=O)=O |r|
CC1=C([C@@H](Oc2c1cc(cc2)O)c3ccc(cc3)OCCN4CC(C4)CF)c5cccc(c5)O
OC1(CCS(=O)(=O)CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cnccc23)c(F)c1
Nc1cc(F)c(cc1C(=O)Nc1cc(F)c(F)c(F)c1)S(=O)(=O)N1CCC(O)CC1
OCCn1cnc(c1-c1ccc2ncc(C#N)n2n1)-c1ccc(F)c(Cl)c1
NS(=O)(=O)NCC(=O)NCCSc1nonc1\C(Nc1ccc(F)c(c1)C(F)F)=N\O
NS(=O)(=O)CC(=O)NCCSc1nonc1\C(Nc1cccc(Cl)c1)=N\O
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(s1)C(F)(F)F
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(C)c1
Cc1cc(ccc1F)-c1cnc2ccn(CC(=O)N3CCC3)c2c1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(c1)C(F)(F)F
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(n1)C(F)(F)F
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(C)c1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(c1)C(F)F
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(F)c1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cc(C)cs1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(Cl)s1
Cc1nnc(Cn2ccc3ncc(cc23)-c2ccc(F)c(C)c2)o1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(Cl)c1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(C)s1
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(Cl)c1
c1cc(ccc1[C@@]2(CCN(C2)C(=O)C3CCC(CC3)C(=O)O)S(=O)(=O)c4ccc(cc4)F)C(C(F)(F)F)(C(F)(F)F)F
C[C@]1([C@@H]2C[C@@]2(SC(=N1)N)COC)c3cc(cc(c3F)F)NC(=O)c4cnc(cn4)OCC#C
C[C@@H]1CN(C[C@@H](O1)C)c2cc3c(c(c2)F)C4(CCN(CC4)C5=NC6=C(CCCN6C)C(=O)N5)C(=O)N3C
[H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCc2ccc(cc2[C@H]1O)C#N |r|
[H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])COCC[C@H]1O |r|
[H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCN(C[C@H]1O)S(C)(=O)=O |r|
c1ccc2c(c1)-c3cncn3[C@H]2[C@@H]4CCOC[C@H]4O
[H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCc2ccccc2[C@H]1O |r|
[H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCc2ccc(cc2[C@H]1O)S(C)(=O)=O |r|
[H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCc2ccc(cc2[C@H]1O)C(N)=O |r|
[H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCn2cnnc2[C@H]1O |r|
[H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCc2c(cnn2C)[C@H]1O |r|
[H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCc2cnccc2[C@H]1O |r|
[H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCc2cc(ccc2[C@H]1O)S(C)(=O)=O |r|
[H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCc2ccncc2[C@H]1O |r|
[H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCc2ccc(cc2[C@H]1O)P(C)(C)=O |r|
[H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCn2nccc2[C@H]1O |r|
[H][C@@]1(c2ccccc2-c2cncn12)[C@]1([H])CCc2nonc2[C@H]1O |r|
[H][C@]12OC(=O)O[C@]1(C)[C@@H](CC)OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@@H](O[C@]1([H])O[C@H](C)C[C@@H]([C@H]1O)N(C)C)[C@@](C)(C[C@@H](C)\C(=N/OCC#Cc1ccc3n(CC)cc(C(N)=O)c(=O)c3c1)[C@@H]2C)OC |r|
CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@]12C)OC\C=C\c1cnc2ccccc2c1
[H][C@]12OC(=O)O[C@]1(C)[C@@H](CC)OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@@H](O[C@]1([H])O[C@H](C)C[C@@H]([C@H]1O)N(C)C)[C@@](C)(C[C@@H](C)\C(=N/OC\C=C\c1ccc3n(CC)cc(C(N)=O)c(=O)c3c1)[C@@H]2C)OC |r|
CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(c3)-c3cccnc3)C(=O)O[C@]12C)OC |r|
[H][C@]12OC(=O)O[C@]1(C)[C@@H](CC)OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@@]([H])(O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C)[C@@](C)(C[C@@H](C)\C(=N/OC)[C@@H]2C)OC\C=C\c1ccc2n(cc(C(N)=O)c(=O)c2c1)C1CC1 |r|
[H][C@]12OC(=O)O[C@]1(C)[C@@H](CC)OC(=O)[C@H](C)[C@@H](OC(=O)NCCCc1cccnc1)[C@H](C)[C@@H](O[C@]1([H])O[C@H](C)C[C@@H]([C@H]1O)N(C)C)[C@@](C)(C[C@@H](C)\C(=N/OC)[C@@H]2C)OC |r|
OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2ccccc12
Cc1cccc(Cl)c1C(=O)c1cn(-c2ccc(cc2)C(O)=O)c2c(F)cccc12
OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2ccccc12
OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2ccccc12
Cc1cccc(Cl)c1C(=O)c1cn(-c2ccc(cc2)C(O)=O)c2ccccc12
OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2cccc(F)c12
CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(c(Cl)c2)-c2ccccc2OC(F)(F)F)cc1 |(-3.74,3.7,;-2.67,3.08,;-2.67,1.54,;-3.73,.92,;-3.74,2.16,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;2.66,-3.08,;1.6,-3.7,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.32,-7.71,;6.39,-8.33,;3.98,-8.48,;2.65,-7.7,;1.58,-8.32,;2.66,-6.16,;3.98,-10.02,;2.64,-10.78,;2.63,-12.32,;3.96,-13.1,;5.3,-12.34,;5.31,-10.8,;6.65,-10.03,;7.98,-10.81,;9.05,-10.21,;7.97,-12.05,;9.04,-11.44,;,-1.54,;-1.33,-.77,)|
OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2c(F)cccc12
OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12
OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2c(F)cccc12
OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2c(F)cccc12
OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2cccc(F)c12
OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2cccnc12
OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccnc12
Cc1cccc(Cl)c1C(=O)c1cn(-c2ccc(cc2F)C(O)=O)c2ncccc12
OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(F)cccc2Cl)c2ccccc12
Clc1cc(Cl)cc(c1)N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
O=C(NCCCCN1CCN(CC1)c1cccc(c1)C#N)c1ccc(cc1)-c1ccsc1
Cc1noc(C)c1NC(=O)[C@@H]1CCCC[C@H]1C(=O)c1ccc(cc1)-c1cc[nH]n1 |r|
Cc1cc([nH]n1)-c1ccc(C(=O)[C@@H]2CCCC[C@H]2C(=O)Nc2cn(C)nc2C(N)=O)c(F)c1 |r|
Cn1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)c2ccc(cc2)-c2cc[nH]n2)c(n1)C(F)(F)F |r|
[H][C@@]12C[C@]1([H])C[C@H]([C@@H](C2)C(=O)Nc1cn(C)nc1C(N)=O)c1noc2cc(ccc12)-c1cc(C)[nH]n1 |r|
[H][C@@]12C[C@]1([H])C[C@H]([C@@H](C2)C(=O)Nc1cn(C)nc1C(F)(F)F)C(=O)c1ccc(cc1)-c1cc[nH]n1 |r|
CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1OC)S(=O)(=O)CC
CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1cc2CN(C)C(=O)c2cc1OC
CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C
CCN(CC)c1ccc2cc(C(=O)NCC(O)(Cn3cncn3)c3ccc(F)cc3F)c(=O)oc2c1
CCN(CC)c1ccc2cc(C(=O)NCC(O)(Cn3cncn3)c3ccc(Cl)cc3Cl)c(=O)oc2c1
CCC(CC)Oc1ccc2cc(C(=O)NCC(O)(Cn3ccnc3)c3ccc(F)cc3F)c(=O)oc2c1
CCC(CC)Oc1ccc2cc(C(=O)NCC(O)(Cn3ccnc3)c3ccc(Cl)cc3Cl)c(=O)oc2c1
CCN(CC)c1ccc2cc(C(=O)NCC(O)(Cn3ccnc3)c3ccc(F)cc3F)c(=O)oc2c1
CCN(CC)c1ccc2cc(C(=O)NCC(O)(Cn3ccnc3)c3ccc(Cl)cc3Cl)c(=O)oc2c1
[H][C@]12O[C@H](CF)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NCC)S2 |r,t:13|
[H][C@]12O[C@H](COC)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NCC)S2 |r,t:14|
[H][C@]12O[C@H](CO)[C@@H](OC)[C@H](O)[C@@]1([H])N=C(NCC)S2 |r,t:14|
[H][C@]12O[C@H](CO)[C@@H](O)[C@H](OC)[C@@]1([H])N=C(NCC)S2 |r,t:14|
CCNC1=N[C@@H]2C[C@H](O)[C@@H](CO)O[C@@H]2S1 |r,t:3|
[H][C@]12O[C@H](CO)C(F)[C@H](O)[C@@]1([H])N=C(NCC)S2 |r,t:13|
[H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])N=C(S2)N(C)CC |r,c:13|
CCNC1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1 |r,t:3|
[H][C@]12O[C@H](CO)C[C@H](O)[C@@]1([H])N=C(NCC)S2 |r,t:12|
[H][C@]12O[C@H](CO)[C@@H](O)[C@H](F)[C@@]1([H])N=C(NCC)S2 |r,t:13|
CCNC1=N[C@H]2[C@H](O[C@H](C)[C@@H](O)[C@@H]2O)S1 |r,t:3|
[H][C@@]12C[C@H](CC(O)=O)CN1C(=O)[C@]1([H])Cc3c(n(C(=O)OC(C)(C)C)c4ccccc34)[C@@]2([H])N1C(=O)CC1CCC(F)(F)CC1 |r,THB:34:33:14.16.15:10.9.1|
CCCNC1CN(C1)c1ccnc(N)n1
Clc1ccc2oc(SCCC(=O)N3CCCC3)nc2c1
Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)nc2sccc12
Cc1cc(cc(c1Nc2ccnc(n2)Nc3ccc(cc3)C#N)C)/C=C/C#N
Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)NC4CCN(CC4)Cc5ccc(cc5)S(=O)(=O)N)C)/C=C/C#N
Cc1cc(ccc1-c1cnn(C)c1)N1CCC(CC1)C1c2c(cccc2F)-c2cncn12
Cn1cc(cn1)-c1ccc(cc1)N1CCC(CC1)C1c2c(cccc2F)-c2cncn12
Cn1cc(cn1)-c1ccc(N2CCC(CC2)C2c3c(cccc3F)-c3cncn23)c(F)c1
Cn1cc(cn1)-c1ccc(cc1F)N1CCC(CC1)C1c2c(cccc2F)-c2cncn12
Cn1cc(cn1)-c1ccc(cc1)N1CCC(CC1)[C@H]1c2c(cccc2F)-c2cncn12 |r|
O[C@H](C[C@H]1c2c(cccc2F)-c2cncn12)[C@H]1CC[C@H](O)CC1 |r,wU:19.22,wD:3.2,1.0,16.19,(-.99,-3.03,;-.22,-1.7,;-.99,-.37,;-2.53,-.37,;-3.37,.92,;-4.85,.53,;-5.94,1.61,;-5.54,3.1,;-4.06,3.5,;-2.97,2.41,;-1.48,2.81,;-4.93,-1.01,;-5.9,-2.21,;-5.06,-3.5,;-3.58,-3.1,;-3.5,-1.56,;1.32,-1.7,;2.09,-3.03,;3.63,-3.03,;4.4,-1.7,;5.94,-1.7,;3.63,-.37,;2.09,-.37,)|
[#6]-[#8]\[#7]=[#6]-1/[#6]-[#6]-[#6](-[#6]-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-c2nc(=O)c3cc(cc(-[#7+](-[#8-])=O)c3s2)C(F)(F)F)-[#6]-[#6]-1
[#6]-[#6]-[#8]\[#7]=[#6]-1/[#6]-[#6]-[#6](-[#6]-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-c2nc(=O)c3cc(cc(-[#7+](-[#8-])=O)c3s2)C(F)(F)F)-[#6]-[#6]-1
[O-][N+](=O)c1cc(cc2c1sc(nc2=O)N1CCN(CC2CCCCC2)CC1)C(F)(F)F
COc1cc(C(=O)NCCF)c2ncn(Cc3ncnc(N(C)C)c3C)c2c1
COc1ncnc(Cn2cnc3c(cccc23)C(=O)NCCF)c1C
COc1ccc(Cl)cc1NCC1C(c2ccc(cc2)S(N)(=O)=O)C1(C)C
c1cc(c(c(c1)Br)C(=O)c2cc([nH]c2)C(=O)Nc3cccnc3)F
[H][C@@]12C[C@@]1(CN(C2)c1nnc(COC)n1-c1ccc(OC)nc1)c1ccc(F)cc1Cl |r|
C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CC[C@@H]([C@H](C)C1)N1CCC[C@H]1CO |r|
C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)C1=CC[C@@H]([C@H](C)C1)N1CCC[C@H]1CO |r,t:24|
OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)C1CCCCC1
OC(CC1c2cc(Cl)ccc2-c2cncn12)C1CCCCC1
CC(=O)N1CCC(CC1)C(O)CC1c2ccccc2-c2cncn12
OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1ccc(F)cc1
OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1ccncc1
OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1cncnc1
OC(CC1c2c(cccc2F)-c2cncn12)C1CCCCC1
OC(CC1c2c(cccc2Cl)-c2cncn12)C1CCCCC1
OC(CC1c2c(cccc2F)-c2cncn12)C1CCC(=O)CC1
OC(CC1c2ccccc2-c2cncn12)[C@@H]1CC[C@@H](CC1)NC(=O)c1ccccc1 |r,wU:15.17,18.24,(-2.83,-1.79,;-2.43,-.3,;-3.52,.78,;-5.01,.39,;-6.26,1.29,;-6.42,2.82,;-7.82,3.45,;-9.07,2.54,;-8.91,1.01,;-7.5,.39,;-7.03,-1.08,;-7.5,-2.54,;-6.26,-3.45,;-5.01,-2.54,;-5.49,-1.08,;-.95,.09,;.14,-1,;1.63,-.6,;2.03,.89,;.94,1.98,;-.55,1.58,;3.52,1.29,;4.61,.2,;4.21,-1.29,;6.09,.6,;7.18,-.49,;8.67,-.09,;9.07,1.4,;7.98,2.49,;6.49,2.09,)|
OC(CC1c2c(cccc2F)-c2cncn12)C1CCC(O)CC1 |(2.62,3.33,;1.85,2,;.31,2,;-.46,.67,;-2,.51,;-2.32,-1,;-3.78,-1.48,;-4.93,-.45,;-4.61,1.06,;-3.14,1.54,;-2.74,3.02,;-.98,-1.77,;-.36,-3.18,;1.18,-3.02,;1.5,-1.51,;.16,-.74,;2.62,.67,;1.85,-.67,;2.62,-2,;4.16,-2,;4.93,-3.33,;4.93,-.67,;4.16,.67,)|
c1ccc2c(c1)-c3cncn3[C@H]2C[C@H](C4CCCCC4)O
OC(CC1c2c(cccc2F)-c2cncn12)C1CCC(F)(F)CC1
O[C@@H](C[C@H]1c2c(cccc2F)-c2cncn12)[C@H]1CC[C@H](O)CC1 |r,wU:1.0,19.22,wD:3.2,16.19,(-.99,-3.03,;-.22,-1.7,;-.99,-.37,;-2.53,-.37,;-3.37,.92,;-4.85,.53,;-5.94,1.61,;-5.54,3.1,;-4.06,3.5,;-2.97,2.41,;-1.48,2.81,;-4.93,-1.01,;-5.9,-2.21,;-5.06,-3.5,;-3.58,-3.1,;-3.5,-1.56,;1.32,-1.7,;2.09,-3.03,;3.63,-3.03,;4.4,-1.7,;5.94,-1.7,;3.63,-.37,;2.09,-.37,)|
OC(CC1c2ccccc2-c2cncn12)[C@H]1CC[C@@H](CC1)NC(=O)c1ccccc1 |r,wU:15.17,wD:18.24,(-3.63,-2.93,;-2.86,-1.59,;-3.63,-.26,;-5.17,-.26,;-6.08,.99,;-5.76,2.49,;-6.9,3.52,;-8.37,3.05,;-8.69,1.54,;-7.54,.51,;-7.54,-1.03,;-8.45,-2.28,;-7.54,-3.52,;-6.08,-3.05,;-6.08,-1.51,;-1.32,-1.59,;-.55,-.26,;.99,-.26,;1.76,-1.59,;.99,-2.93,;-.55,-2.93,;3.3,-1.59,;4.07,-.26,;3.3,1.07,;5.61,-.26,;6.38,-1.59,;7.92,-1.59,;8.69,-.26,;7.92,1.07,;6.38,1.07,)|
OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1ccccc1
OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Nc1ccccc1
OC(CC1c2ccccc2-c2cncn12)C1CCC(F)(F)CC1
O[C@H](C[C@H]1c2c(cccc2F)-c2cncn12)[C@@H]1CC[C@H](O)CC1 |r,wD:3.2,1.0,16.25,19.22,(-.99,-3.03,;-.22,-1.7,;-.99,-.37,;-2.53,-.37,;-3.37,.92,;-4.85,.53,;-5.94,1.61,;-5.54,3.1,;-4.06,3.5,;-2.97,2.41,;-1.48,2.81,;-4.93,-1.01,;-5.9,-2.21,;-5.06,-3.5,;-3.58,-3.1,;-3.5,-1.56,;1.32,-1.7,;2.09,-.37,;3.63,-.37,;4.4,-1.7,;5.94,-1.7,;3.63,-3.03,;2.09,-3.03,)|
CC(C)(C)S(=O)(=O)c1cc2c(cc1OCCOP(=O)(O)O)ncnc2Nc3ccc4c(c3)ncs4
C[C@H]1CN(CCO1)c1n[nH]c2nc(N[C@H]3CC[C@@H](CC3)NS(=O)(=O)CCC(F)(F)F)ncc12 |r,wU:14.14,1.0,wD:17.21,(8.54,-1.78,;7.51,-2.93,;7.99,-4.38,;6.97,-5.51,;5.47,-5.22,;4.99,-3.76,;6.01,-2.61,;7.45,-6.97,;6.55,-8.22,;7.46,-9.47,;8.93,-8.99,;10.27,-9.76,;11.6,-8.99,;12.94,-9.75,;14.27,-8.98,;14.25,-7.45,;15.59,-6.68,;16.93,-7.45,;16.92,-8.99,;15.59,-9.76,;18.26,-6.68,;19.59,-7.45,;20.35,-8.78,;18.82,-8.78,;20.93,-6.69,;22.26,-7.46,;23.6,-6.7,;24.82,-5.99,;25.11,-7.27,;23.86,-5.1,;11.6,-7.44,;10.26,-6.67,;8.93,-7.44,)|
COc1nc(N[C@H]2CC[C@@H](CC2)NS(=O)(=O)CCC(C)C)nc2[nH]nc(N3CCOC[C@H]3C)c12 |r,wU:6.5,wD:9.12,31.33,(12.05,-31.41,;10.72,-32.18,;10.72,-33.72,;12.06,-34.49,;12.06,-36.04,;13.4,-36.81,;14.73,-36.03,;14.71,-34.5,;16.05,-33.73,;17.39,-34.5,;17.38,-36.04,;16.05,-36.81,;18.72,-33.73,;20.05,-34.5,;20.81,-35.83,;19.28,-35.83,;21.39,-33.74,;22.72,-34.51,;24.06,-33.75,;25.39,-34.52,;24.06,-32.21,;10.72,-36.81,;9.39,-36.04,;7.92,-36.52,;7.01,-35.27,;7.91,-34.02,;7.43,-32.56,;8.45,-31.43,;7.97,-29.98,;6.47,-29.66,;5.45,-30.81,;5.93,-32.27,;4.91,-33.42,;9.38,-34.49,)|
COc1ccccc1-c1n[nH]c2nc(N[C@H]3CC[C@@H](CC3)NS(=O)(=O)CCC(F)(F)F)nc(OC)c12 |r,wU:15.15,wD:18.22,(27.63,-17.54,;29.14,-17.85,;30.16,-16.7,;29.67,-15.24,;30.7,-14.08,;32.21,-14.4,;32.69,-15.86,;31.66,-17.01,;32.15,-18.46,;31.24,-19.72,;32.16,-20.97,;33.63,-20.48,;34.96,-21.25,;36.3,-20.48,;37.63,-21.25,;38.96,-20.48,;38.95,-18.94,;40.29,-18.17,;41.62,-18.95,;41.62,-20.49,;40.29,-21.25,;42.96,-18.18,;44.29,-18.95,;45.05,-20.28,;43.51,-20.27,;45.63,-18.18,;46.96,-18.96,;48.29,-18.19,;49.51,-17.49,;49.8,-18.76,;48.56,-16.6,;36.29,-18.93,;34.96,-18.17,;34.95,-16.63,;36.29,-15.86,;33.62,-18.94,)|
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NC(C3CC3)C3CC3)nc(Cl)nc12 |r|
Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)C(N)=O)CC2)nc2COCc12)C#N
O=C(CN1CCOCC1)Nc1ccc(OC2CCN(CC2)C2CCC2)cc1
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(F)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r|
Cc1cc(\C=C\C#N)cc(C)c1Oc1ccnc(Nc2ccc(CN3CCN(CC3)S(C)(=O)=O)cc2)n1
OCc1cccc(c1)-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1
O=C(Nc1ccccc1)c1cn2cc(ccc2n1)-c1ccccn1
OC[C@H]1CC[C@@H](CC1)c1ccc(O)cc1 |r,wU:5.8,wD:2.1,(30.01,-26.44,;29.24,-27.77,;27.7,-27.77,;26.93,-26.43,;25.39,-26.43,;24.62,-27.76,;25.39,-29.1,;26.93,-29.1,;23.08,-27.76,;22.32,-26.42,;20.78,-26.42,;20.01,-27.76,;18.47,-27.76,;20.79,-29.09,;22.32,-29.09,)|
CCOC(=O)Cn1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C
Nc1ccc(cn1)C(=O)NC1CCC(CC1)=Cc1cccc(Oc2ccc(cn2)C(F)(F)F)c1 |(12.65,-1.17,;11.31,-1.94,;11.31,-3.48,;9.98,-4.25,;8.65,-3.48,;8.65,-1.94,;9.98,-1.17,;7.31,-4.25,;7.31,-5.79,;5.98,-3.48,;4.65,-4.25,;4.65,-5.79,;3.31,-6.56,;1.98,-5.79,;1.98,-4.25,;3.31,-3.48,;.65,-6.56,;-.69,-5.79,;-.69,-4.25,;-2.02,-3.48,;-3.36,-4.25,;-3.36,-5.79,;-4.69,-6.56,;-6.02,-5.79,;-6.02,-4.25,;-7.36,-3.48,;-8.69,-4.25,;-8.69,-5.79,;-7.36,-6.56,;-10.02,-3.48,;-11.36,-4.25,;-10.02,-1.94,;-10.02,-5.02,;-2.02,-6.56,)|
Cc1cc(cnc1N)C(=O)NC1CCC(CC1)=Cc1cccc(Oc2ccc(cn2)C(F)(F)F)c1 |(11.34,-.39,;10,.38,;8.67,-.38,;7.34,.38,;7.34,1.93,;8.67,2.69,;10,1.93,;11.34,2.69,;6,-.38,;6,-1.93,;4.67,.38,;3.33,-.38,;3.33,-1.93,;2,-2.69,;.67,-1.93,;.67,-.38,;2,.38,;-.67,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-6,-2.69,;-7.34,-1.93,;-7.34,-.38,;-8.67,.38,;-10,-.38,;-10,-1.93,;-8.67,-2.69,;-11.34,.38,;-12.67,-.39,;-11.34,1.93,;-11.34,-1.16,;-3.33,-2.69,)|
Nc1ncc(cn1)C(=O)NC1CCC(CC1)=Cc1cccc(Oc2ccc(cn2)C(F)(F)F)c1 |(11.34,2.69,;10,1.93,;10,.38,;8.67,-.38,;7.34,.38,;7.34,1.93,;8.67,2.69,;6,-.38,;6,-1.93,;4.67,.38,;3.33,-.38,;3.33,-1.93,;2,-2.69,;.67,-1.93,;.67,-.38,;2,.38,;-.67,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-6,-2.69,;-7.34,-1.93,;-7.34,-.38,;-8.67,.38,;-10,-.38,;-10,-1.93,;-8.67,-2.69,;-11.34,.38,;-12.67,-.39,;-11.34,1.93,;-11.34,-1.16,;-3.33,-2.69,)|
COCCN1CCN(CC1)c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1ccnnc1
O=C(Nc1ccnnc1)c1cc(ccc1OCc1ccccc1)N1CCOCC1
Cc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3csc4c(N)ncnc34)c12
Nc1ncnc2c(csc12)C(=O)Nc1cccc2n(Cc3cccnc3)nc(Br)c12
CC(C)COc1ncc(cc1Cl)-c1cn(C)c2cc(ccc12)C(=O)NS(C)(=O)=O
CC(C)COc1ccc(cn1)-c1cn(C)c2cc(C(=O)NS(C)(=O)=O)c(F)cc12
CCc1sc2ncnc(N[C@H](Cc3ccccc3)C(O)=O)c2c1-c1ccc(OCCN2CCN(C)CC2)c(Cl)c1C |r,wU:10.10,(18.79,-38.56,;18.02,-37.22,;16.48,-37.22,;15.58,-38.47,;14.12,-38,;12.78,-38.77,;11.44,-38,;11.44,-36.46,;12.78,-35.69,;12.78,-34.15,;11.44,-33.38,;11.44,-31.84,;10.1,-31.07,;10.11,-29.53,;8.78,-28.76,;7.44,-29.54,;7.45,-31.08,;8.78,-31.85,;10.11,-34.15,;8.77,-33.39,;10.11,-35.69,;14.11,-36.45,;15.58,-35.98,;16.05,-34.51,;15.02,-33.38,;15.49,-31.92,;17,-31.59,;17.47,-30.12,;18.98,-29.8,;19.45,-28.33,;20.95,-28.01,;21.99,-29.15,;23.49,-28.83,;23.97,-27.37,;25.46,-26.97,;22.94,-26.22,;21.42,-26.54,;18.03,-32.73,;19.54,-32.4,;17.56,-34.19,;18.59,-35.34,)|
[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
Clc1ccc2c(ccnc2c1)N1CCN(CCCN2CCN(CC2)c2ccnc3cc(Cl)ccc23)CC1
COc1cc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC1CC1)c1ccc(Cl)c2ccccc12 |r|
CC(C)(CN(c1cc(c(cc1F)F)Cl)c2cnc(c(n2)OC)C(=O)[C@H]3C[C@@H]3C(=O)O)F
COc1ccc2c(c1)c(ccn2)[C@@H]([C@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O
[H][C@@]12CCCC[C@@]1([H])[C@@H](CCC2)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1 |r|
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C2CCCCC2)c2cc(OC)c(OC)c(OC)c2)c2cccc(OCN3CCOCC3)c2)cc1OC
C[C@@H](N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N(C)C)c1 |r|
CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cnn(c1)C1COC1
CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cnn(C)c1C
CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cn[nH]c1C
CC(C)Oc1cc(ccc1C(N)=O)-c1cccnc1
Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)Nc4ccc(c(c4)F)C#N)C)/C=C/C#N
Cc1c(O)c(O)cc[n+]1[C@@H](CO)Cc1ccccc1
[O-][N+](=O)c1cc(cc2c1sc(cc2=O)N1CCN(CC2CCCCC2)CC1)C(F)(F)F
NC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1Cl)C#N |r|
NC[C@@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cn1)S(=O)(=O)c1ccc(cc1Cl)C#N |r|
NC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cn1)S(=O)(=O)c1ccc(cc1Cl)C#N |r|
C[C@H](C(=O)N1CC[C@@H](C1)F)NC2=Nc3c(cnn3C4CCCC4)C(=O)N2
Nc1nc2ccc(OCc3ccccc3)cc2s1
Nc1nc2ccc(SCc3ccc(cc3)C#N)cc2s1
Nc1nc2ccc(cc2s1)C(=O)NCCc1cccs1
Nc1nc2ccc(cc2s1)C(=O)NCc1ccccc1
COc1ccc2c(c1)sc(n2)N
c1cc(ccc1COc2ccc3c(c2)sc(n3)N)C#N
COC(=O)c1ccc(COc2ccc3nc(N)sc3c2)cc1
c1cc2c(cc1SC(F)(F)F)sc(n2)N
c1cc(c(cc1CSc2ccc3c(c2)sc(n3)N)Cl)Cl
COC(=O)c1ccc(CSc2ccc3nc(N)sc3c2)cc1
c1ccc(cc1)CNC(=O)c2ccc(cc2)CSc3ccc4c(c3)sc(n4)N
CS(=O)(=O)c1ccc2c(c1)sc(n2)N
Nc1nc2ccc(cc2s1)S(=O)(=O)Cc1ccc(cc1)C#N
COC(=O)c1ccc(CS(=O)(=O)c2ccc3nc(N)sc3c2)cc1
COC(=O)C1CCN(CC1)C(=O)c1ccc(CS(=O)(=O)c2ccc3nc(N)sc3c2)cc1
COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)CNC(=O)c3ccc4c(c3)sc(n4)N
Nc1nc2ccc(cc2s1)C(=O)NCc1ccc(cc1)C(=O)NCc1ccccc1
COc1cc(CNC(=O)c2ccc3nc(N)sc3c2)cc(OC)c1OC
Nc1nc2ccc(cc2s1)C(=O)NCc1ccccc1N
c1ccc(cc1)C(c2ccccc2)NC(=O)c3ccc4c(c3)sc(n4)N
Nc1nc2ccc(cc2s1)C(=O)N(Cc1ccccc1)Cc1ccc(Cl)c(Cl)c1
COc1ccc(CN(Cc2ccc(Cl)c(Cl)c2)C(=O)c2ccc3nc(N)sc3c2)cc1OC
Nc1nc2c(O)cc(cc2s1)C(=O)NCc1ccccc1
Nc1nc2c(cc(O)c(O)c2s1)C(=O)NCc1ccc(Cl)c(Cl)c1
Nc1nc2c(cc(O)c(O)c2s1)C(=O)NCc1ccccc1
CSc1ccc2nc(N)sc2c1
c1cc2c(cc1OC(F)(F)F)sc(n2)N
Nc1nc2ccc(SCc3ccccc3)cc2s1
Nc1nc2ccc(cc2s1)S(=O)(=O)Cc1ccccc1
COC(=O)C1CCN(CC1)C(=O)c1ccc2nc(N)sc2c1
Nc1nc2c(cc(O)c(O)c2s1)C(=O)N(Cc1ccccc1)Cc1ccc(Cl)c(Cl)c1
c1cc(c(cc1CNC(=O)c2ccc3c(c2)sc(n3)N)Cl)Cl
Nc1nc2ccc(cc2s1)C(=O)N(CCO)Cc1ccccc1
Nc1nc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2s1
COC(=O)C1CCN(CC1)C(=O)c1ccc(COc2ccc3nc(N)sc3c2)cc1
COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)CSc3ccc4c(c3)sc(n4)N
Nc1nc2ccc(cc2s1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1
Nc1nc2ccc(cc2s1)C(=O)NCc1ccc(cc1)C#N
Nc1nc2ccc(cc2s1)C(=O)NCc1ccccc1[N+]([O-])=O
Nc1nc2ccc(cc2s1)C(=O)NCCc1c[nH]c2ccccc12
Nc1nc2c(O)cc(cc2s1)C(=O)NCc1ccc(Cl)c(Cl)c1
COC(=O)c1ccc(CNC(=O)c2ccc3nc(N)sc3c2)cc1
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CC1CCSS1
COc1c(ccc2[nH]c(cc12)-c1cn2CCO[C@H](c2n1)c1cccc(F)c1C)C#N |r|
c1cc(cc(c1)NC(=O)Nc2c(cccc2F)N3CCCC3)[C@@H]4CN(CCN4CCO)c5c6cc[nH]c6ncn5
O=C(Nc1cccc(c1)[C@H]1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1N1CCCC1 |r|
CC[C@@]1(CC[C@@H](CC1)C(O)=O)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r,wU:2.1,5.8,wD:16.19,2.11,(-.36,-3.62,;-1.75,-2.95,;-3.02,-3.81,;-4.52,-4.18,;-4.94,-5.66,;-3.87,-6.77,;-2.38,-6.4,;-1.95,-4.92,;-4.3,-8.25,;-3.23,-9.36,;-5.79,-8.62,;-3.65,-2.4,;-5.18,-2.24,;-2.75,-1.16,;-1.21,-1.16,;-.73,.31,;-1.98,1.21,;-3.22,.31,;-.44,1.05,;.46,2.3,;1.99,2.14,;2.62,.73,;1.71,-.51,;.18,-.35,;4.15,.57,;4.31,2.1,;3.99,-.96,;3.83,-2.49,;2.46,-.8,;5.52,-1.12,;5.68,.41,;7.21,.25,;6.45,-.92,;5.84,1.94,;-3.01,2.36,;-4.15,1.33,;-4.04,3.5,;-1.86,3.39,;-2.18,4.9,;-1.04,5.93,;.43,5.45,;1.57,6.48,;.75,3.94,;-.4,2.91,)|
OC(=O)C12CCC(CC1)(CC2)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
C[C@@H](O[C@H]1CC[C@@]2(CC1)CCC(F)(F)CO2)c1nc(no1)-c1cc(F)c(CS(C)(=O)=O)c(F)c1 |r,wU:6.16,3.2,1.0,(20.11,-34.06,;20.13,-35.61,;21.54,-36.23,;22.79,-35.33,;22.63,-33.79,;23.89,-32.89,;25.31,-33.52,;25.45,-35.06,;24.21,-35.96,;26.63,-34.29,;27.95,-33.52,;27.96,-31.99,;28.72,-30.66,;29.5,-31.98,;26.64,-31.23,;25.3,-31.99,;18.89,-36.51,;17.42,-36.03,;16.51,-37.29,;17.42,-38.54,;18.88,-38.05,;14.96,-37.28,;14.2,-38.62,;12.65,-38.62,;11.88,-39.95,;11.88,-37.29,;10.34,-37.29,;9.56,-35.96,;8.03,-35.97,;9.96,-34.47,;11.05,-35.56,;12.65,-35.95,;11.87,-34.63,;14.19,-35.95,)|
CNC(=O)c1c(oc2cc(N(Cc3ccc(B(O)O)c(F)c3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(F)cc1
CNC(=O)c1c(oc2cc(c(cc12)C1CC1)-n1ncnc1-c1ccc(B(O)O)c(F)c1)-c1ccc(F)cc1
CNC(=O)c1c(oc2cc(N(c3ccc(B(O)O)c(Cl)c3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(F)cc1
CNC(=O)c1c(oc2cc(N(c3cc4COB(O)c4c(Cl)c3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(F)cc1
CNC(=O)c1c(oc2cc(c(cc12)C1CC1)-n1nccc1-c1ccc(B(O)O)c(F)c1)-c1ccc(F)cc1
Cc1cc([nH]n1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn(C)c1C(=O)NOC(C)(C)C |r|
Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn(C)c1S(N)(=O)=O |r|
Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn2CCNC(=O)c12 |r|
CCn1cncc1-c1c[nH]c2ccc(I)c(F)c12
CCc1cc(Cc2ccc(CC(=O)NCCO)cc2)nc(n1)-c1cccc(Cl)c1
CCc1cc(Cc2ccc(CC(N)=O)cc2)nc(n1)-c1cccc(Cl)c1
OC(=O)Cc1ccc(Cc2cc(nc(c2)C(F)(F)F)-c2cccc(Cl)c2)cc1
COc1cc(ccc1Nc1ccc(N2CCCCC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ccc(N2CCOCC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1
COc1cc(ccc1Nc1ccc(N2CCCC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Fc1ccc(cn1)-c1ccc2nc(sc2c1)C(C#N)C(=O)NCC(=O)NC1COC1
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc2nc(sc2c1)C(C#N)C(=O)NCC(=O)NC1CC1
O=C(CNC(=O)C(C#N)c1nc2ccc(cc2s1)-c1ccc(cc1)C(=O)N1CCOCC1)NC1CC1
O=C(CNC(=O)C(C#N)c1nc2ccc(cc2s1)-c1ccccc1)NC1CC1
CN(C)C(=O)c1cccc(c1)-c1ccc2nc(sc2c1)C(C#N)C(=O)NCC(=O)NC1CC1
CC(C)C[C@@H](c1ccc(cc1)C(=O)NCCC(O)=O)n1ncc2cc(c(C)cc12)-c1ccc(cc1Cl)C(F)(F)F |r|
CC(C)C[C@@H](c1ccc(cc1)C(=O)NCCC(O)=O)n1ncc2cc(c(C)cc12)-c1ccc(cc1C)C(F)(F)F |r|
CC(C)C[C@@H](c1ccc(cc1)C(=O)NCCC(O)=O)n1cc2cc(c(C)cc2n1)-c1ccc(cc1C)C(F)(F)F |r|
CC(C)C[C@@H](c1ccc(cc1)C(=O)NCCC(O)=O)n1cc2c(C)c(ccc2n1)-c1ccc(cc1Cl)C(F)(F)F |r|
c1cc(c(cc1CN2C=C(c3c(cnn3C4CCNCC4)C2=O)C(=O)Nc5ccncc5)Cl)Cl
Cc1ccc(C)c2oc(cc12)-c1nc(no1)-c1ccc(cc1)C(O)=O
CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(Br)o1)C(=O)c1ccc(O)cc1O
CN(C)C(=O)c1ccc(cc1)N(Cc1cc(Br)cs1)C(=O)c1ccc(O)cc1O
CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(O)cc1)C(=O)c1ccc(O)cc1O
CC(C)(C)N1CCC(CC1)NC(=O)c1ccc(cc1Cl)C(F)(F)F
[#6]-[#8]-c1c(-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](-[#8])=O)cc2oc3cc4-[#8]C([#6])([#6])[#6]=[#6]-c4c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](/[#6])-[#6] |c:24|
CCS(=O)(=O)Cc1cnc(Oc2ccc(F)cc2F)c(c1)-c1cc(C)c2n1cc[nH]c2=O
Clc1ccc(Cn2nccc2-c2cc(Cl)c3nnn(-c4ccc5[nH]c(=O)[nH]c5c4)c3c2)nc1
Fc1cc(cc2n(nnc12)-c1ccc2cn[nH]c2c1)-c1ccnn1Cc1ccc(cc1)C#N
N#Cc1ccc(Cn2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)nc1
Nc1nn(-c2ccc3cn[nH]c3c2)c2cc(cnc12)-c1ccnn1Cc1ccc(Cl)cc1Cl
Fc1cc(cc2n(nnc12)-c1ccc2[nH]c(=O)[nH]c2c1)-c1ccnn1Cc1ccc(cc1)C#N
Clc1cc(ccc1Cn1nccc1-c1cc2n(nnc2cn1)-c1ccc2[nH]c(=O)[nH]c2c1)C#N
Clc1cc(cc2n(nnc12)-c1ccc2[nH]c(=O)[nH]c2c1)-c1ccnn1Cc1ccc(cn1)C#N
Clc1cc(cc2n(nnc12)-c1ccc2cn[nH]c2c1)-c1ccnn1Cc1ccc(cc1)C#N
Clc1ccc(Cn2nccc2-c2cc(Cl)c3nnn(-c4ccc5cn[nH]c5c4)c3c2)nc1
Clc1ccc(Cn2nccc2-c2cc3n(nnc3cn2)-c2ccc3[nH]c(=O)[nH]c3c2)c(Cl)c1
[H][C@@]12C[C@]1([H])[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(O)c(OC)c3)nc(nc12)C#Cc1ccccc1 |r|
COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(C)CC1
COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1C[C@H](C)N(C)[C@H](C)C1 |r|
COc1cc(cc(F)c1C(N)=O)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)C(C)C
[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:31|
C[C@H](NC(=O)c1cccc(F)c1)c1ccc(NC(=O)N2CC(C2)c2cncc(N)c2)cc1 |r|
CCC(=O)N[C@@H](C)c1ccc(NC(=O)N2CC(C2)c2cccnc2)cc1 |r|
CCC(=O)N[C@@H](C)c1ccc(NC(=O)N2CC(C2)c2cncc(N)c2)cc1 |r|
C[C@H](NC(=O)C1CCOCC1)c1ccc(NC(=O)N2CC(C2)c2cncc(N)c2)cc1 |r|
C[C@H](N1Cc2ccccc2C1=O)c1ccc(NC(=O)N2CC(C2)c2cncc(N)c2)cc1 |r|
CCC(=O)N[C@@H](C)c1ccc(NC(=O)N2CC(C2)c2ccc(N)nc2)cc1 |r|
C[C@H](NC(=O)[C@@H]1CCCN1C)c1ccc(NC(=O)N2CC(C2)c2ccc(N)nc2)cc1 |r|
C[C@H](NC(=O)c1ncccn1)c1ccc(NC(=O)N2CC(C2)c2ccc(N)nc2)cc1 |r|
C[C@H](NC(=O)c1cccc(F)c1)c1ccc(NC(=O)N2CC(C2)c2ccc(N)nc2)cc1 |r|
C[C@H](NC(=O)C1CCOCC1)c1ccc(NC(=O)N2CC(C2)c2cccnc2)cc1 |r|
C[C@H](NC(=O)c1ncccn1)c1ccc(NC(=O)N2CC(C2)c2cccnc2)cc1 |r|
C[C@H](NC(=O)c1cccc(F)c1)c1ccc(NC(=O)N2CC(C2)c2cccnc2)cc1 |r|
C[C@H](NC(=O)[C@@H]1CCCN1C)c1ccc(NC(=O)N2CC(C2)c2cncc(N)c2)cc1 |r|
C[C@H](NC(=O)[C@@H]1CCCN1C)c1ccc(NC(=O)N2CC(C2)c2cccnc2)cc1 |r|
C[C@H](NC(=O)c1ncccn1)c1ccc(NC(=O)N2CC(C2)c2cncc(N)c2)cc1 |r|
C[C@H](NC(=O)C1CCOCC1)c1ccc(NC(=O)N2CC(C2)c2ccc(N)nc2)cc1 |r|
C[C@H](N1Cc2ccccc2C1=O)c1ccc(NC(=O)N2CC(C2)c2ccc(N)nc2)cc1 |r|
C[C@H](N1Cc2ccccc2C1=O)c1ccc(NC(=O)N2CC(C2)c2cccnc2)cc1 |r|
Cc1cc(NC(=O)Nc2cc(nn2-c2ccccc2)C(C)(C)C)ccc1-c1cnc(NC2CC2)c2nccn12
Clc1ccc(cc1)-n1ccc(c1)C(c1ccc(Cl)cc1Cl)n1ccnc1
Clc1ccc(cc1)C(c1c[nH]c(c1)-c1ccc(Cl)cc1)n1ccnc1
Cn1cc(cc1-c1ccc(Cl)cc1)C(c1ccc(Cl)cc1)n1ccnc1
Clc1ccc(cc1)C(c1cc(-c2ccc(Cl)cc2)n(CC=C)c1)n1ccnc1
Clc1ccc(cc1)-c1c[nH]cc1C(c1ccc(Cl)cc1Cl)n1ccnc1
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(F)c1
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]C2([#6]-1)[#6]\[#6](-[#6]2)=[#6]/C#Cc1cccc(-[#6])n1
[#6]-c1cccc(c1)-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)S(=O)(=O)c1ccc(cc1)C#N
[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(c1)C#N
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-c1cccc(Cl)c1
[#6]-[#6]S(=O)(=O)[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
[#6]-[#6]-[#6]-[#6]-[#7](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])c1
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#8]-[#6]-[#6]-c1ccccc1
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#8]C([#6])([#6])[#6]
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1ccccn1
CCOC(=O)N1CC\C(C1)=C\C#Cc1cccc(C)n1
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]\[#6](-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ncccc1-[#7+](-[#8-])=O
Cc1cccc(n1)C#Cc1ccccc1
[#6]-[#6](-[#7](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1)-c1ccccc1
CCN(C(C)C)C(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1
[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-c1ccccc1
[#6]-[#8]-c1cccc(c1)-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-c1cccc(F)c1
Cc1cccc(n1)C#C\C=C1/CCN(C1)C(=O)c1cccc(Cl)c1
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)S(=O)(=O)c1cccc(Br)c1
[#6]-[#6]-[#7](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
Cc1cccc(n1)C#C\C=C1/CCN(C1)C(=O)c1ccco1
[#6]-c1ccc(cc1)S(=O)(=O)[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(Cl)c1
[#6]-c1cccc(n1)C#C\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#8]-[#6]-c1ccccc1
CCOC(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1
Cc1nc(cs1)C#Cc1cccnc1
[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
CC(C)N(C)C(=O)N1CC\C(C1)=C/C#Cc1cccc(C)n1
[#6]-[#8]-c1ccccc1-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
Clc1cccc(c1)-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(Cl)n1
[#6]-[#8]-c1ccc(cc1)S(=O)(=O)[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1
C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3cccc(Cl)c3Cl)c(=O)n2C)[C@@H]1N |r|
C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(NC5CC5)c4Cl)c3c(=O)n2C)[C@@H]1N |r|
NC(=O)c1c2NCC[C@@H](C3CCN(CC3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1 |r|
CC(C)N(C)Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
CC1(C)CCN1Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1
CN(Cc1cccc(F)c1CNc1cc(F)c(c(F)c1)S(=O)(=O)Nc1cscn1)C(C)(C)C
CNC(=O)C(=O)NCCCC\C=C/CCCCCCCCCc1nnn[nH]1
CNC(=O)C(=O)NCCCC\C=C/CCCCCCCOCC(O)=O
CNC(=O)C(=O)NCCCC\C=C/CCCCCCCCCC(O)=O
Cn1c(Sc2ccc(cc2)C(=O)NO)nnc1-c1cccs1
ONC(=O)c1ccc(Cn2nnnc2-c2cccs2)cc1
CCn1c(=O)n(CCC(F)(F)F)c2sc(C(=O)N3CCC(O)CC3)c(C)c2c1=O
Cc1csc2n(CC3CCCO3)c(=O)n(CCc3ccccc3)c(=O)c12
OCC(CO)NCc1[nH]c(=O)[nH]c(=O)c1I
CCc1cc(F)c2nc(N3CCC(CC3)NC3CCOCC3)c(-c3nc(C)no3)c(C)c2c1
C[S+]([O-])CCOc1ccccc1C1N(C(=O)C(O)=C1C(=O)C(C)(C)C)c1ccc(cc1)-c1ccsc1 |c:18|
COCCOc1ccccc1C1N(C(=O)C(O)=C1C(=O)C(C)(C)C)c1ccc(cc1)-c1ccsc1 |c:17|
CC(C)(C)C(=O)C1=C(O)C(=O)N(C1c1ccccc1OCCO)c1ccc(cc1)-c1ccon1 |c:6|
CC(C)C(=O)C1=C(O)C(=O)N(C1c1ccccc1OCCO)c1ccc(cc1)-c1ccsc1 |c:5|
COc1ccccc1C1N(C(=O)C(O)=C1C(=O)C(C)C)c1ccc(cc1)-c1ccsc1 |c:14|
CC(C)(C)C(=O)C1=C(O)C(=O)N(C1c1ccccc1OCC(O)=O)c1ccc(cc1)-c1ccsc1 |c:6|
CN(C)CCOc1ccccc1C1N(C(=O)C(O)=C1C(=O)C(C)(C)C)c1ccc(cc1)-c1ccsc1 |c:18|
CC(C)(C)C(=O)C1=C(O)C(=O)N(C1c1ccccc1OCCO)c1ccc(cc1)-c1cccs1 |c:6|
CC(C)(C)C(=O)C1=C(O)C(=O)N(C1c1ccccc1OCCO)c1ccc(cc1)-c1ccoc1 |c:6|
Cc1noc(n1)-c1ccc(cc1)N1C(C(C(=O)C(C)(C)C)=C(O)C1=O)c1ccccc1OCCO |t:22|
Cc1cc(on1)-c1ccc(cc1)N1C(C(C(=O)C(C)(C)C)=C(O)C1=O)c1ccccc1OCCO |t:22|
COc1ccccc1C1N(C(=O)C(O)=C1C(=O)C(C)(C)C)c1ccc(cc1)-c1ccsc1 |c:14|
CC(C)C(=O)C1=C(O)C(=O)N(C1c1ccccc1OCC[S+](C)[O-])c1ccc(cc1)-c1ccsc1 |c:5|
COc1ccccc1[C@H]1N(C(=O)C([O-])=C1C(=O)C(C)C)c1ccc(cc1)-c1ccsc1 |r,c:14|
CN(C)C(=O)COc1ccccc1C1N(C(=O)C(O)=C1C(=O)C(C)(C)C)c1ccc(cc1)-c1ccsc1 |c:19|
CC(C)(C)C(=O)C1=C(O)C(=O)N(C1c1ccccc1OCCO)c1ccc(cc1)-c1ccsc1 |c:6|
Cc1nc(no1)-c1ccc(cc1)N1C(C(C(=O)C(C)(C)C)=C(O)C1=O)c1ccccc1OCCO |t:22|
Cc1cc(Nc2nccc(n2)-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)ccn1 |r|
O[C@H](CN1CCC[C@H](CC(O)=O)C1)c1ccc(cc1)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1 |r|
COc1ccc2n(cc(C3=CCNCC3)c2c1)S(=O)(=O)c1ccc2cccnc2c1 |t:9|
COc1ccc2n(cc(C3=CCNCC3)c2c1)S(=O)(=O)c1cncc2ccccc12 |t:9|
C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1)c1ccccc1 |r|
C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cnn(C)c3)c2cn1)c1ccccc1 |r|
C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cc(C)nc(C)c3)c2cn1)c1ccccc1 |r|
C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(F)c3)c2cn1)c1ccccc1 |r|
CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1cccc(c1)C(O)=O |c:1|
CC1=C(CC(=O)NCc2cc(Cl)ccc2CN)C(=O)N(CC1)NCc1ccccc1 |c:1|
O=C(NCCN1CCOCC1)Nc1nc2ccc(Sc3nnc4ccc(OC5CCCC5)nn34)cc2s1
c1cc(ccc1c2ccc3nnc(n3n2)Sc4ccc5c(c4)sc(n5)NC(=O)NCCN6CCOCC6)F
O=C(NCCN1CCOCC1)Nc1nc2ccc(Sc3nnc4cccnn34)cc2s1
Fc1cccc(c1)-c1ccc2nnc(Sc3ccc4nc(NC(=O)NCCN5CCOCC5)sc4c3)n2n1
O=C(NCCN1CCOCC1)Nc1nc2ccc(Sc3nnc4ccc(OC5CCCCC5)nn34)cc2s1
O=C(NCCN1CCOCC1)Nc1nc2ccc(Sc3nnc4ccc(NC5CC5)nn34)cc2s1
O=C(NCCN1CCOCC1)Nc1nc2ccc(Sc3nnc4ccc(OC5CCCCCC5)nn34)cc2s1
Fc1cccc(Oc2ccc3nnc(Sc4ccc5nc(NC(=O)NCCN6CCOCC6)sc5c4)n3n2)c1
CCOc1ccc2nnc(Sc3ccc4nc(NC(=O)NCCN5CCOCC5)sc4c3)n2n1
O=C(NCCN1CCOCC1)Nc1nc2ccc(Sc3nnc4ccc(Oc5ccccc5)nn34)cc2s1
CCCCOc1ccc2nnc(Sc3ccc4nc(NC(=O)NCCN5CCOCC5)sc4c3)n2n1
O=C(NCCN1CCOCC1)Nc1nc2ccc(Sc3nnc4ccc(NC5CCCCC5)nn34)cc2s1
O=C(NCCN1CCOCC1)Nc1nc2ccc(Sc3nnc4ccc(NC5CCOCC5)nn34)cc2s1
C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn[nH]1 |r|
C[C@@H]1Cc2c(CN1C(=O)c1ccc(Cl)cc1F)nc(C)nc2-c1ccn[nH]1 |r|
O=C(N1CCn2nc(cc2C1)-c1ccccn1)c1ccccc1
Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)cc(N[C@@H](C3CC3)C(C)(C)O)nc12 |r|
Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCCN3CCOCC3)cc(Oc3cccc(F)c3)nc12
Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CC3)cc(N[C@@H]3CCCC[C@H]3O)nc12 |r|
Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NC[C@H]3C[C@@](C)(O)C3)cc(Oc3cccnc3)nc12 |r,wU:20.21,22.25,(48.46,-32.37,;49.53,-31.26,;49.1,-29.78,;50.17,-28.67,;51.66,-29.03,;52.09,-30.5,;51.03,-31.63,;51.46,-33.1,;50.39,-34.22,;52.95,-33.47,;54.02,-32.36,;55.49,-31.92,;54.38,-30.85,;49.74,-27.2,;50.69,-25.98,;49.82,-24.7,;48.34,-25.14,;47.04,-24.33,;47.09,-22.79,;45.78,-21.98,;44.42,-22.71,;43.98,-24.18,;42.51,-23.74,;41.01,-23.33,;41.41,-24.82,;42.95,-22.26,;45.69,-25.06,;45.64,-26.6,;44.29,-27.33,;44.25,-28.87,;42.89,-29.59,;42.85,-31.13,;44.16,-31.94,;45.52,-31.2,;45.56,-29.66,;46.95,-27.4,;48.29,-26.68,)|
CC(=O)N1CCN(CC1)c1ccc(NC(=O)Cc2cnc(c(C)c2)-c2ccnc(F)c2)nc1
COc1ccc2nc(NC(=O)Cc3ccc(cc3)-c3ccncc3)sc2c1
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r|
Cc1cnc(cc1-n1c2ccncc2n(C)c1=O)-c1cc(Cl)ccc1F |(10.72,-21.17,;9.39,-21.94,;9.39,-23.49,;8.05,-24.27,;6.72,-23.49,;6.72,-21.95,;8.05,-21.18,;8.04,-19.64,;6.79,-18.74,;5.29,-19.06,;4.26,-17.93,;4.73,-16.45,;6.24,-16.13,;7.27,-17.27,;8.8,-17.27,;9.7,-16.02,;9.28,-18.73,;10.75,-19.21,;5.39,-24.26,;4.05,-23.49,;2.72,-24.26,;1.39,-23.49,;2.72,-25.8,;4.06,-26.57,;5.39,-25.8,;6.72,-26.57,)|
Cn1c2cnccc2n(-c2cc(nc3[nH]ccc23)-c2cc(Cl)ccc2F)c1=O |(44.86,-2.72,;43.96,-3.97,;42.43,-3.98,;41.4,-2.83,;39.89,-3.15,;39.42,-4.63,;40.45,-5.76,;41.95,-5.44,;43.2,-6.34,;43.21,-7.88,;41.88,-8.65,;41.88,-10.19,;43.21,-10.96,;44.54,-10.19,;46.02,-10.67,;46.93,-9.42,;46.02,-8.16,;44.54,-8.64,;40.55,-10.96,;39.21,-10.19,;37.88,-10.96,;36.55,-10.18,;37.88,-12.5,;39.22,-13.27,;40.55,-12.5,;41.88,-13.26,;44.44,-5.43,;45.91,-5.91,)|
Cn1c2cnccc2n(-c2cc(nc3[nH]ccc23)-c2ccc(F)cc2F)c1=O |(32.63,-2.61,;31.73,-3.85,;30.19,-3.86,;29.16,-2.71,;27.66,-3.04,;27.18,-4.51,;28.22,-5.65,;29.72,-5.33,;30.97,-6.22,;30.97,-7.76,;29.65,-8.53,;29.64,-10.08,;30.98,-10.85,;32.31,-10.08,;33.79,-10.56,;34.7,-9.3,;33.79,-8.05,;32.31,-8.53,;28.31,-10.85,;26.98,-10.07,;25.65,-10.84,;25.64,-12.38,;24.31,-13.15,;26.99,-13.15,;28.31,-12.38,;29.65,-13.15,;32.21,-5.32,;33.67,-5.79,)|
CC(C)(N)CNC(=O)c1cnccc1Nc1cc(nc2[nH]ccc12)-c1ccc(F)cc1F
C[C@H](O)CNC(=O)c1cnccc1Nc1cc(nc2[nH]ccc12)-c1cc(Cl)ccc1F |r|
Fc1ccc(Cl)cc1-c1cc(Nc2ccncc2C(=O)NC2CC2)c2cc[nH]c2n1
Fc1ccc(c(F)c1)-c1cc(Nc2ccncc2C(=O)NC2CC2)c2cc[nH]c2n1
Fc1ccc(c(F)c1)-c1cc(Nc2ccncc2)c2cc[nH]c2n1
Fc1ccc(c(F)c1)-c1cc(-n2c3ccncc3[nH]c2=O)c2cc[nH]c2n1 |(1.03,-11.64,;2.37,-10.86,;2.37,-9.32,;3.7,-8.56,;5.03,-9.33,;5.04,-10.86,;6.37,-11.63,;3.71,-11.64,;6.37,-8.56,;6.37,-7.02,;7.7,-6.25,;7.69,-4.71,;6.44,-3.81,;4.94,-4.13,;3.9,-2.99,;4.38,-1.52,;5.89,-1.2,;6.92,-2.34,;8.45,-2.34,;8.93,-3.8,;10.39,-4.27,;9.03,-7.01,;10.51,-6.53,;11.42,-7.78,;10.51,-9.04,;9.03,-8.56,;7.7,-9.33,)|
Cc1cccc(n1)-c1cc(Nc2ccncc2)c2cc[nH]c2n1
Fc1ccccc1-c1cc(Nc2ccncc2)c2cc[nH]c2n1
CNCCNC(=O)c1cnccc1Nc1cc(nc2[nH]ccc12)-c1ccc(F)cc1F
Fc1ccc(cc1F)-c1cc(Nc2ccncc2)c2cc[nH]c2n1
Fc1cc(F)c(cc1Cl)-c1cc(Nc2ccncc2)c2cc[nH]c2n1
CCn1c2cnccc2n(-c2cc(ncc2C)-c2cc(Cl)ccc2F)c1=O |(33.49,-17.46,;31.95,-17.31,;31.05,-18.55,;29.52,-18.56,;28.49,-17.42,;26.98,-17.74,;26.51,-19.21,;27.54,-20.35,;29.04,-20.03,;30.29,-20.92,;30.3,-22.46,;28.97,-23.23,;28.97,-24.78,;30.3,-25.55,;31.63,-24.78,;31.63,-23.23,;32.97,-22.45,;27.64,-25.55,;26.3,-24.77,;24.97,-25.54,;23.64,-24.77,;24.97,-27.08,;26.31,-27.85,;27.64,-27.08,;28.97,-27.85,;31.53,-20.02,;33,-20.49,)|
Fc1ccc(Cl)cc1-c1cc(-n2c3ccncc3[nH]c2=O)c2cc[nH]c2n1 |(18.42,-12.28,;17.08,-11.52,;15.76,-12.29,;14.41,-11.52,;14.42,-9.98,;13.08,-9.2,;15.75,-9.21,;17.08,-9.98,;18.41,-9.21,;18.42,-7.67,;19.74,-6.9,;19.74,-5.36,;18.49,-4.46,;16.99,-4.78,;15.95,-3.65,;16.42,-2.17,;17.93,-1.85,;18.96,-3,;20.5,-2.99,;20.98,-4.45,;22.44,-4.93,;21.08,-7.66,;22.56,-7.18,;23.47,-8.44,;22.56,-9.69,;21.08,-9.21,;19.75,-9.98,)|
C[C@H](O)CNC(=O)c1cnccc1Nc1cc(nc2[nH]ccc12)-c1ccc(F)cc1F |r|
Cc1cnc(cc1-n1c2ccncc2n(CC(N)=O)c1=O)-c1cc(Cl)ccc1F |(22.08,-22.62,;20.75,-23.4,;20.75,-24.95,;19.41,-25.72,;18.08,-24.95,;18.08,-23.4,;19.41,-22.63,;19.41,-21.09,;18.15,-20.2,;16.65,-20.52,;15.62,-19.38,;16.09,-17.91,;17.6,-17.59,;18.63,-18.73,;20.16,-18.73,;21.06,-17.48,;22.6,-17.63,;23.5,-16.39,;23.23,-19.04,;20.64,-20.19,;22.11,-20.66,;16.75,-25.72,;15.41,-24.94,;14.08,-25.71,;12.75,-24.94,;14.08,-27.25,;15.42,-28.02,;16.75,-27.25,;18.08,-28.02,)|
CCn1nc(cc1Nc1nc(cs1)-c1ccc(c(F)c1)-n1cnc(C)c1)C(C)(C)C
COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
CC(C)COc1ncc(cc1Cl)-c1cc(F)c(cc1F)C(=O)NS(C)(=O)=O
CC(C)COc1ncc(Oc2nccc3cc(ccc23)C(=O)NS(C)(=O)=O)cc1Cl
Cc1c(cccc1-n1cnc2ccccc2c1=O)-c1ccc(C(O)=N)c2[nH]c3cc(ccc3c12)C(C)(C)O
CC(NC(=O)c1ccc(cc1Cl)C(F)(F)F)C1(CCC(F)(F)CC1)N1CCN(CC1)S(=O)(=O)c1cn(C)nn1
C[C@]1(C[C@H](SC(=N1)N)c2cncnc2)c3ccc(cc3F)F
C[C@H]1CC[C@@H](CC1)NC(=O)c1nc(C)c([C@H](OC(C)(C)C)C(O)=O)c(c1C)-c1ccc2OCCN(C)c2c1C |r,wU:1.0,wD:15.16,4.7,(32.67,-26.07,;34,-25.3,;34.01,-23.76,;35.33,-22.99,;36.66,-23.76,;36.68,-25.3,;35.34,-26.07,;37.99,-22.98,;39.33,-23.75,;39.34,-25.29,;40.66,-22.97,;41.99,-23.74,;43.33,-22.97,;44.66,-23.74,;43.32,-21.42,;44.65,-20.65,;44.65,-19.11,;45.97,-18.32,;47.51,-18.32,;46.74,-19.66,;45.97,-16.79,;45.99,-21.41,;47.32,-20.64,;46,-22.95,;41.99,-20.66,;40.66,-21.43,;39.33,-20.66,;41.98,-19.12,;43.31,-18.35,;43.31,-16.81,;41.97,-16.04,;41.94,-14.5,;40.6,-13.75,;39.27,-14.55,;39.3,-16.1,;37.98,-16.89,;40.65,-16.83,;40.65,-18.36,;39.31,-19.13,)|
NC(=O)c1ccc(Cc2ccccc2)cc1-c1cccc(CCC(O)=O)c1
c1cc(cc(c1)O)C2=C(C(=O)c3cc(ccc3O2)O)O
C[C@@]1(C(=C(NC(=N1)c2nccs2)CN3CC(C[C@H]3C(=O)O)(F)F)C(=O)OC)c4ccc(cc4)F
COc1ccc2c(c1)oc(c(O)c2=O)-c1ccc2OCOc2c1
CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(cc1F)-c1ccccc1 |r|
CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(c(F)c1)-c1ccccc1 |r|
C[C@H]1NC(=O)c2cc([nH]c12)-c1cccc2c1nc(NC(C)(C)C)n(C)c2=O
CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CN)cc3)c2n1
Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1ccccc1
NCc1ccc(cc1)-n1c(nc2ccc(nc12)-c1ccccc1)-c1cccnc1N
Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1cccnc1
C1CN(CCO1)C1CCN(CC1)c1cc(nc(n1)-c1ccncc1)-c1cccnc1
C1Cc2ccccc2CN1c1cc(nc(n1)-c1ccncc1)-c1cccnc1
Cc1cc(cc(C)n1)-c1nc(cc(n1)-c1cccnc1)N1CCC(CC1)N1CCOCC1
C(C1CCN(CC1)c1cc(nc(n1)-c1ccncc1)-c1cccnc1)N1CCOCC1
COc1nn2cc(nc2s1)-c1c(CO)n(Cc2ccccc2Cl)c2ccc(OC(F)(F)F)cc12
COc1ccc(cn1)-c1c(CO)n(Cc2ccccc2Cl)c2ccc(OC(F)(F)F)cc12
CSc1ncc(cn1)-c1c(CO)n(Cc2ccccc2Cl)c2ccc(OC(F)(F)F)cc12
OC(=O)c1ccc(cc1)-c1c(\C=C\c2ccc3ccccc3n2)nc2c(ccnn12)N1CCOCC1
CC(C)(C)Cc1cc(no1)-c1onc([C@@H](CCC([O-])=O)CC(=O)Nc2ccc(Cl)cc2Cl)c1C1CC1 |r|
COc1ncccc1C(O)(CCN(C)C)C(c1cccc(C)c1)c1cc2cc(Br)ccc2nc1OC
COc1nc2ccc(Br)cc2cc1C(c1cccc(C)c1)C(O)(CCN(C)C)c1cccnc1C
COc1nc2ccc(Br)cc2cc1C(c1cccc2OCOc12)C(O)(CCN(C)C)c1cccnc1C
COc1nc2ccc(Br)cc2cc1C(c1cccc2OCOc12)C(O)(CCN(C)C)c1cccnc1OC
COc1cc(cnc1OC)C(O)(CCN(C)C)C(c1ccnc(OC)c1OC)c1cc2cc(Br)ccc2nc1OC
COc1cccc(C(c2cc3cc(ccc3nc2OC)C#N)C(O)(CCN(C)C)c2cc(C)nc(C)c2)c1F
COc1cccc(n1)C(O)(CCN(C)C)C(c1cccc2OCOc12)c1cc2cc(Br)ccc2nc1OC
COc1cccc(C(c2cc3cc(Br)ccc3nc2OC)C(O)(CCN(C)C)c2ccc(C)nc2)c1F
COc1ncccc1C(O)(CCN(C)C)C(c1cccc(C)c1)c1cc2cc(ccc2nc1OC)C#N
CCOc1cc(cc(OCC)n1)[C@](O)(CCN(C)C)[C@@H](c1cc2cc(Br)ccc2nc1OC)c1cccc(OC)c1OC |r|
CN(C)CC[C@@](c1cc(nc(c1)OC)OC)([C@H](c2cccc(c2F)OC)c3cc4cc(ccc4nc3OC)Br)O
CCOc1cc(cc(OCC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(OC)c1F)c1cc2cc(Br)ccc2nc1OC |r|
COc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(OC)c1OC)c1cc2cc(Br)ccc2nc1OC |r|
COc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@@H](c1cc2cc(ccc2nc1OC)C#N)c1cccc2OCCOc12 |r|
COc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1cccnc1OC)c1cc2cc(Br)ccc2nc1OC |r|
COc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc2OCOc12)c1cc2cc(ccc2nc1OC)C#N |r|
CCOc1cc(cc(n1)N(C)C)[C@H](c1cc2cc(ccc2nc1OC)C#N)[C@@](O)(CCN(C)C)c1cc(OC)nc(OC)c1 |r|
[H][C@]12C[C@@]1([H])N[C@H](COc1cccnc1)C2
[H][C@]12C[C@@]1([H])N[C@H](COc1cccnc1Cl)C2
[H][C@]12C[C@@]1([H])N[C@H](COc1cncc(Cl)c1)C2
[H][C@]12C[C@@]1([H])N[C@H](COc1ccc(Cl)nc1)C2
[H][C@]12C[C@@]1([H])N[C@H](COc1ccc(F)nc1)C2
[H][C@@]12C[C@]1([H])N[C@@H](COc1ccc(Cl)nc1)C2
[H][C@@]12C[C@]1([H])N[C@H](COc1cccnc1)C2
[H][C@@]12C[C@]1([H])N[C@H](COc1ccc(Cl)nc1)C2
[H][C@]12C[C@@]1([H])N[C@@H](COc1ccc(Cl)nc1)C2
[H][C@@]12C[C@]1([H])[C@@H](COc1cccnc1)NC2
[H][C@@]12C[C@]1([H])[C@@H](COc1cncc(Cl)c1)NC2
[H][C@]12C[C@@]1([H])N[C@H](COc1ccc(Cl)nc1)CC2
[H][C@]12C[C@@]1([H])N[C@H](COc1cccnc1)CC2
C[C@H]1CN(C[C@@H](C)O1)C(=O)Nc1cc(ccn1)-c1cn([C@H]2CC[C@@](C)(O)CC2)c2cnccc12 |r,wU:23.25,5.5,1.0,wD:20.21,(67.8,-7.39,;66.77,-6.25,;65.27,-6.57,;64.23,-5.42,;64.7,-3.97,;66.21,-3.64,;66.68,-2.18,;67.24,-4.79,;62.73,-5.75,;62.26,-7.22,;61.69,-4.61,;60.19,-4.94,;59.72,-6.41,;58.21,-6.74,;57.18,-5.6,;57.64,-4.14,;59.15,-3.8,;57.75,-8.2,;58.66,-9.44,;57.76,-10.69,;58.24,-12.15,;57.22,-13.3,;57.69,-14.75,;59.2,-15.07,;58.8,-16.55,;60.28,-16.15,;60.23,-13.92,;59.75,-12.45,;56.29,-10.22,;54.95,-11,;53.61,-10.23,;53.62,-8.69,;54.95,-7.92,;56.28,-8.68,)|
CCN1CCN(CC1)C(=O)Nc1cc(ccn1)-c1cn(C2CCOCC2)c2cnccc12
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(C)=O)c3)n2)nc1
COc1nn(C)cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C
COc1nn(C)cc1C(=O)Nc1cccc(n1)-c1cncn1C(C)C
COc1nn(cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C)-c1cnccn1
Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1ccc(CN2CCC3C=NNC3C2)c(Cl)c1 |c:33|
COCCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C2CC2)CC1
Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1ccc(CN2CCN(CCO)CC2)c(Cl)c1
Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1ccc(CN2CCN(CCO)CC2)c(c1)C1CC1
Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1ccc(CN2Cc3cn[nH]c3C2)c(Cl)c1
Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1ccc(CN2Cc3ccc(O)cc3C2)c(Cl)c1
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C
CC(C)CCNC1=CC(=O)c2ccccc2C1=O |t:6|
O=C(CCCCCCC(=O)Nc1ccccc1)NOC(c1ccccc1)(c1ccccc1)c1ccccc1
Nc1ncnc2n(nc(Oc3cc(ccn3)C(F)(F)F)c12)C1CC1
Nc1ncnc2n(nc(Oc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCC[C@H]1O |r|
Nc1ncnc2n(nc(Oc3cc(ccn3)C#N)c12)[C@H]1C[C@H](F)C1 |r,wU:19.21,wD:21.24,(4.07,-26.23,;4.07,-27.77,;2.74,-28.54,;2.74,-30.08,;4.08,-30.85,;5.42,-30.07,;6.89,-30.54,;7.79,-29.29,;6.87,-28.04,;7.34,-26.58,;8.84,-26.25,;9.3,-24.78,;10.8,-24.45,;11.85,-25.59,;11.38,-27.06,;9.87,-27.39,;11.25,-22.99,;11.72,-21.52,;5.41,-28.53,;7.38,-32,;8.75,-32.69,;8.06,-34.07,;8.55,-35.53,;6.68,-33.38,)|
CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1
Cc1cc(C)c(cc1NC(=O)c1ccc(OCc2ccccn2)cc1)-c1ncc[nH]1
CN1CN(CC1=O)C(=O)CSc1ncnc2oc(c(C)c12)C(F)(F)F
CCOC(=O)Cc1nn(CNC(=O)CCCN2CCN(CC2)c2cccc(C)c2C)c(=O)c2c(F)cccc12
CCOC(=O)Cc1nn(CNC(=O)CCCN2CCN(CC2)c2cccc(C)c2C)c(=O)c2cc(F)ccc12
CNCC[C@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F
CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(C)c(C)cc(C)c1C |r|
C[C@@H]1COCCN1c1cc(-c2ccnn2C)c2ccnc(-c3ccn[nH]3)c2n1 |r|
Cc1cc(C[C@@H](NC(=O)N2CCC3(CC2)OC(=O)Nc2ncccc32)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(CC2)c2ccncc2)cc2cn[nH]c12 |r|
CC(C)[C@@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc2[nH]ncc2c1 |r|
C[C@@H](Nc1nc2n(ncc2c(=O)n1Cc1ccc(F)cc1)C(C)(C)C)c1ccc(Cl)cc1 |r|
C[C@@H](NC(=O)c1nc(nc(O)c1O)-c1cc(ccn1)C(F)(F)F)C1CCCCC1 |r|
COc1ccnc(c1)-c1nc(O)c(O)c(n1)C(=O)N[C@H](C)C1CCCCC1 |r|
C[C@@H](NC(=O)c1nc(nc(O)c1O)-c1cc(Cl)ccn1)C1CCCCC1 |r|
C[C@@H](NC(=O)c1nc(nc(O)c1O)-c1nccc2ccccc12)C1CCCCC1 |r|
CS(=O)(=O)n1cc2CN(Cc2n1)[C@@H]1C[C@H](N)[C@H](O[C@@H]1C(F)(F)F)c1cc(F)ccc1F |r|
CC1(C)CN2CCNCc3cccc1c23
C1CC2(C1)CN1CCNCc3cccc2c13
CC(C)(C)OC(=O)N[C@H](CSCC(Nc1ccccc1)C(=O)NCc1cccnc1)Cc1c[nH]c2ccccc12 |r|
CC(C)(C)OC(=O)N[C@@H](CSCC(Nc1ccccc1)C(=O)NCc1cccnc1)Cc1c[nH]c2ccccc12 |r|
CC(C)(C)OC(=O)NC(CSCC(Nc1ccccc1)C(=O)NCc1cccnc1)Cc1cccc2ccccc12
CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2c1cccc2)CS[C@@H](Cc3ccccc3)C(=O)NCCc4cccnc4
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CS[C@H](Cc3ccccc3)C(=O)NCCc4cccnc4
CC(C)(C)OC(=O)N[C@H](Cc1cccc2c1cccc2)CS[C@@H](Cc3ccccc3)C(=O)NCCc4cccnc4
CC(C)(C)OC(=O)N[C@@H](Cc1cccc2c1cccc2)CS[C@H](Cc3ccccc3)C(=O)NCCc4cccnc4
CC(C)(C)OC(=O)NC(CSC(Cc1cccc2ccccc12)C(=O)NCc1cccnc1)Cc1cccc2ccccc12
CC(C)(C)OC(=O)NC(CSC(Cc1cccc2ccccc12)C(=O)NCCc1cccnc1)Cc1cccc2ccccc12
CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1 |r|
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@@H](Cc2ccccc2)C(=O)NCCc3cccnc3
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCCc3cccnc3
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCCc3cccnc3
CC(C)(C)OC(=O)N[C@H](CS[C@@H](Cc1ccccc1)C(=O)NCCc1cccnc1)Cc1ccccc1 |r|
O[C@H]1CC[C@@H](CC1)NC(=O)CCCCCc1ccccc1 |r,wU:4.7,wD:1.0,(23.68,-40.08,;25.01,-40.84,;25.01,-42.38,;26.34,-43.14,;27.67,-42.38,;27.67,-40.84,;26.34,-40.06,;29,-43.15,;30.34,-42.39,;30.34,-40.85,;31.67,-43.16,;33.01,-42.39,;34.34,-43.16,;35.67,-42.39,;37.01,-43.17,;38.34,-42.4,;39.66,-43.17,;41,-42.41,;41,-40.87,;39.66,-40.09,;38.33,-40.87,)|
CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2ccccn2)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(2.31,-18.95,;3.77,-18.47,;4.92,-19.5,;6.38,-19.02,;7.54,-20.05,;9,-19.57,;9.31,-18.07,;8.17,-17.04,;6.7,-17.51,;10.77,-17.6,;11.25,-16.13,;12.79,-16.13,;13.26,-17.6,;14.73,-18.07,;15.42,-19.45,;16.8,-18.75,;16.1,-17.38,;18.26,-19.23,;19.41,-18.2,;19.09,-16.69,;20.87,-18.67,;22,-17.64,;23.47,-18.11,;23.79,-19.62,;22.65,-20.65,;21.19,-20.18,;12.02,-18.5,;12.02,-20.04,;10.68,-20.81,;10.68,-22.34,;12.02,-23.12,;13.36,-22.34,;13.35,-20.8,;14.68,-20.03,)|
CC1Cc2cc(Cl)ccc2C(=O)N1c1cccnc1
CC1CN(C(=O)c2ccc(Cl)cc12)c1cccnc1
CC1(C)CN(C(=O)c2ccc(Cl)cc12)c1cccnc1
CCC(C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@@H]3CO[C@](Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cn2)c1=O |r|
CCC(C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@@H]3CO[C@](Cn4ccnc4)(O3)c3ccc(Cl)cc3Cl)cn2)c1=O |r|
CCC(C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@@H]3CO[C@](Cn4cnnn4)(O3)c3ccc(Cl)cc3Cl)cn2)c1=O |r|
CCC(C)n1ncn(-c2ccc(N3CCN(CC3)c3ccc(OC[C@@H]4CO[C@](Cn5cnnn5)(O4)c4ccc(Cl)cc4Cl)cc3)c(F)c2)c1=O |r|
C[C@H]1C[C@@H](CC[C@H]1C(=O)N2CC[C@@]3([C@H]2CCc4c3ccc(c4)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c5ccc(cc5)F)C(=O)O
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccncc1)-c1nnc[nH]1 |(-4.91,-.24,;-3.37,-.24,;-2.89,-1.7,;-1.35,-1.7,;-.32,-2.85,;1.18,-2.53,;1.66,-1.06,;.63,.08,;-.88,-.24,;-2.12,.67,;-2.12,2.21,;-.79,2.98,;-.79,4.52,;-2.12,5.29,;-3.46,4.52,;-4.79,5.29,;-4.79,6.83,;-6.12,4.52,;-6.12,2.98,;-4.79,2.21,;-4.79,.67,;-3.46,2.98,;3.15,-.66,;4.24,-1.75,;5.72,-1.35,;6.12,.13,;5.03,1.22,;3.55,.82,;-.72,-4.33,;.18,-5.58,;-.72,-6.83,;-2.18,-6.35,;-2.18,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(C)c1)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(c1)C#N)-c1nnc[nH]1 |(-5.8,-.24,;-4.26,-.24,;-3.78,-1.7,;-2.24,-1.7,;-1.21,-2.85,;.3,-2.53,;.77,-1.06,;-.26,.08,;-1.77,-.24,;-3.01,.67,;-3.01,2.21,;-1.68,2.98,;-1.68,4.52,;-3.01,5.29,;-4.35,4.52,;-5.68,5.29,;-5.68,6.83,;-7.01,4.52,;-7.01,2.98,;-5.68,2.21,;-5.68,.67,;-4.35,2.98,;2.26,-.66,;2.66,.82,;4.14,1.22,;5.23,.13,;4.83,-1.35,;3.35,-1.75,;5.92,-2.44,;7.01,-3.53,;-1.61,-4.33,;-.7,-5.58,;-1.61,-6.83,;-3.07,-6.35,;-3.07,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1F)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;3.49,-3.24,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)|
C[C@H](CN[C@@H](C(=O)Nc1ccc(cn1)-c1cnn(C)c1)c1ccccc1)c1ccc(cc1)C#N |r|
CC(C)OC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccoc1 |c:6|
CC(C)OC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccco1 |c:6|
CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cnoc1 |c:5|
CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ncc[nH]1 |c:5|
CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cocn1 |c:5|
CC(C)OC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cocn1 |c:6|
CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2cc(ccc2N(Cc2c(C)ccc3ccccc23)C1=O)C#N |r|
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)cc2n1
C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CCCC[C@@H]2C)C(=O)NCC(C)(C)O)c(Cl)c1Cl)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CCC(F)(F)CC2)C(=O)NCC(C)(C)O)c(Cl)c1Cl)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CCC(F)CC2)C(=O)NCC(C)(C)O)c(Cl)c1Cl)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CC[C@H](F)C[C@@H]2C)C(=O)NCC(C)(C)O)c(Cl)c1Cl)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CCC(F)(F)C2)C(=O)NCC(C)(C)O)c(Cl)c1Cl)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CC(F)(F)C[C@@H]2C)C(=O)NCC(C)(C)O)c(Cl)c1Cl)C(F)(F)F |r|
CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)S(=O)(=O)N[C@@H](C)C(F)(F)F)C(=O)NCC(C)(C)O |r|
CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CCC(F)CC2)C(=O)NCC(C)(C)O)c(Cl)c1Cl)C(F)(F)F |r|
C[C@H](NS(=O)(=O)c1ccc(-c2sc(NC(=O)CC(C)(C)O)nc2C(=O)N2CCC(F)CC2)c(Cl)c1Cl)C(F)(F)F |r|
CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N(CC)CC)C(=O)NCC(C)(C)O)c(Cl)c1Cl)C(F)(F)F |r|
CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2C(=O)N2CCCC[C@@H]2C)C(=O)NCC(C)(C)O)c(C(F)F)c1F)C(F)(F)F |r|
CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)NCC(C)(C)O)c2ccccc12
FC(F)(F)Sc1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1Cl
CC(C)(C)c1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)c(c1)C(C)(C)C
O=C(Nc1ccc(cc1)C12CC3CC(CC(C3)C1)C2)c1ccc(CN2CCCCC2)cc1 |TLB:6:9:12:16.15.14,THB:10:9:12.11.16:14,10:11:14:18.9.17,17:9:12:16.15.14,17:15:12:18.9.10|
CC(N1CCCCC1)c1ccc(cc1)C(=O)N1CCc2cc(ccc12)C(C)(C)C
CC1CCN(CC1)c1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1C(F)(F)F
O=C(Nc1ccc(cc1)C12CC3CC(CC(C3)C1)C2)c1ccc(CN2CCOCC2)cc1 |TLB:6:9:12:16.15.14,THB:10:9:12.11.16:14,10:11:14:18.9.17,17:9:12:16.15.14,17:15:12:18.9.10|
CC(C)c1cc(COc2ccccc2CC(O)=O)cc(c1)-c1ccc2OC[C@@H](N)c2c1 |r|
CNC(=O)[C@H](C)Cn1cnc2ccc(cc2c1=O)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2Cl)c1 |r|
Cc1cc(cc2cn(nc12)C1CCNCC1)-c1ccc(=O)n(C)c1C
F[C@H]1CNCC[C@@H]1n1cc2cc(cc(c2n1)C(F)(F)F)-c1ccc(=O)n2CCCc12 |r|
OC(=O)c1cc(-c2ccc(cc2)C23CCN(CC2)CC3)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
OC(=O)c1cc(cc(c1)-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)C12CCN(CC1)CC2
Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1 |r|
Cc1ccc(cc1)-c1ncnc(Nc2ccc(cc2)C(N)=N)c1O
Cc1ccc(cc1)-c1ncnc(Nc2ccc(cc2Cl)C(N)=N)c1O
Cc1ccc(cc1)-c1ncnc(Nc2ccc(CN)cc2)c1O
Cc1ccc(cc1)-c1ncnc(Nc2ccc3C(=N)NCc3c2)c1O
Cc1ccc(cc1)-c1ncnc(Nc2ccc3C(=N)NCc3c2Cl)c1O
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCCc1ccc(cc1)S(N)(=O)=O
CNC(=O)C1=CC(=CN(C1=O)Cc2ccccc2)C(=O)NC3CC3
CNC(=O)C1=CC(=CN(C1=O)Cc2cccc3c2cc[nH]3)C(=O)NC4CC4
Cc1ccc2[nH]c(cc2c1)C(=O)N[C@H]1CN(C[C@@H]1C(=O)N[C@H]1CCCNC1)S(=O)(=O)c1ccccc1 |r|
COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
COc1cc(cc(OC)c1F)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
c1ccc(c(c1)COc2ccc(cc2)[C@H]3CC[C@H](N3)C(=O)N)F
FC(F)(F)c1ccc2NC3(CCN(CC4CCOCC4)CC3)C(=O)c2c1
NC1=N[C@@](CF)(CCC1(F)F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:1|
CC(C)(C#N)c1cc(cc(c1)Nc2c(cnc(n2)N3CCC[C@@H](C3)N)C(=O)N)C(C)(C)C#N
CC(C)c1cc(cc(n1)C(C)C)Nc2c(cnc(n2)N3CCC[C@@H](C3)N)C(=O)N
C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCO)C1 |r|
C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(nc12)N1CC(C1)[C@H]1CCCN(CCO)C1 |r|
COc1cc(\C=C2/CCCN3[C@@H](C)[C@H](ON=C23)c2cc(F)cc(F)c2)ccc1-n1cnc(C)c1 |r,t:15|
COc1cc(\C=C2/CCCN3[C@@H](C)[C@H](ON=C23)c2cc(F)c(F)c(F)c2)ccc1-n1cnc(C)c1 |r,t:15|
COc1cc(ccc1-n1cnc(C)c1)C1=CC2=NO[C@@H](CN2CCC1)c1cc(F)c(F)c(F)c1 |r,t:16,18|
COc1cc(ccc1-n1cnc(C)c1)C1=CC2=NOC[C@@H](N2CCC1)c1cc(F)c(F)c(F)c1 |r,t:16,18|
COc1nnc2sc(C(=O)NC3CN(C3)c3ncc(cn3)C(F)(F)F)c(N)c2c1C
CN(C)c1ccc(CC(=O)N[C@@H]2CNC[C@H]2c2ccc(cc2)C(F)(F)F)cc1 |r|
CN(C)c1ccc(CC(=O)N[C@@H]2CNC[C@H]2c2ccc(cc2)S(F)(F)(F)(F)F)cc1 |r|
CN(C)c1ccc(CC(=O)N[C@@H]2CNC[C@H]2c2ccc(cc2)C(C)(F)F)cc1 |r|
Nc1ncc(-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)c(n1)C(F)F
C[C@@H](c1ccccc1)Oc2cc(cc(c2NC(=O)C)F)C(=O)NC3CCC(CC3)O
OC(=O)CNC(=O)c1ncc(cc1O)C#CCOc1ccc(Cl)cc1
CN(C[C@@H]1CCCN1)Cc1c(cnc2ncn(-c3cc(O)cc(F)c3)c(=O)c12)-c1cc(C)cc(Cl)c1 |r|
COc1cc(cc(n1)-c1ccc(cc1)C(O)=O)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)C2
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccn2nc(N)c(-c3cnn(C)c3)c2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)C(F)(F)F)-c1ccn2nc(NC(C)=O)cc2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)C(F)(F)F)-c1ccn2nc(N)c(-c3cnn(C)c3)c2n1 |r|
CC(Sc1nc2ncccc2n1-c1ccc(C2CC2)c2ccccc12)C(O)=O |(46.93,-23.14,;47.7,-24.46,;46.93,-25.8,;45.4,-25.81,;44.92,-24.34,;43.38,-24.36,;42.36,-23.21,;40.85,-23.53,;40.39,-25,;41.41,-26.13,;42.9,-25.81,;44.15,-26.71,;44.16,-28.25,;42.83,-29.02,;42.83,-30.57,;44.17,-31.33,;44.18,-32.87,;43.41,-34.21,;44.95,-34.21,;45.5,-30.56,;46.84,-31.32,;48.17,-30.55,;48.16,-29,;46.83,-28.24,;45.5,-29.01,;49.24,-24.46,;50,-23.12,;50.01,-25.79,)|
CC(Sc1nc2cnccc2n1-c1ccc(C2CC2)c2ccccc12)C(O)=O |(46.93,-23.14,;47.7,-24.47,;46.93,-25.8,;45.4,-25.81,;44.92,-24.35,;43.39,-24.36,;42.36,-23.22,;40.86,-23.53,;40.39,-25,;41.41,-26.14,;42.91,-25.82,;44.16,-26.71,;44.17,-28.25,;42.84,-29.02,;42.83,-30.57,;44.17,-31.34,;44.18,-32.88,;43.42,-34.21,;44.96,-34.21,;45.5,-30.56,;46.84,-31.32,;48.18,-30.55,;48.17,-29,;46.83,-28.24,;45.5,-29.02,;49.24,-24.46,;50,-23.12,;50.01,-25.79,)|
Brc1nnc(SCC(=O)NS(=O)(=O)c2ccc(Br)cc2)n1-c1ccc(C2CC2)c2ccccc12 |(37.92,-23.83,;39.38,-23.35,;39.87,-21.89,;41.4,-21.88,;41.88,-23.35,;43.41,-23.34,;44.18,-22,;45.72,-22,;46.49,-23.33,;46.48,-20.66,;48.02,-20.65,;49.34,-21.42,;48.02,-22.18,;48.78,-19.33,;50.32,-19.33,;51.08,-18,;50.31,-16.67,;51.06,-15.34,;48.77,-16.68,;48.02,-18.01,;40.63,-24.25,;40.64,-25.79,;39.31,-26.56,;39.31,-28.1,;40.64,-28.88,;40.65,-30.42,;39.9,-31.75,;41.44,-31.74,;41.99,-28.1,;43.32,-28.86,;44.66,-28.09,;44.65,-26.54,;43.31,-25.78,;41.98,-26.55,)|
Cc1c(nc2ccc(Br)cc2c1C(=O)NCCc1ccccn1)-c1ccccc1
CC(Cc1ccccn1)NC(=O)c1c(C)c(nc2ccc(Br)cc12)-c1ccccc1
COc1ccccc1C(C)CNC(=O)c1c(C)c(nc2ccc(Br)cc12)-c1ccccc1
Cc1c(nc2ccc(Br)cc2c1C(=O)Nc1ccc(cc1)C(O)=O)-c1ccccc1
Cc1c(nc2ccc(Br)cc2c1C(=O)Nc1ccc(cc1F)C(O)=O)-c1ccccc1
Cc1c(CNc2ccc(cc2F)C(O)=O)c2cc(Br)ccc2nc1-c1ccccc1
Cc1c(COc2ccc(cc2F)C(O)=O)c2cc(Br)ccc2nc1-c1ccccc1
Cc1c(nc2ccc(Cl)cc2c1C(=O)Nc1ccc(cc1F)C(O)=O)-c1ccccc1
Cc1c(nc2ccc(cc2c1C(=O)Nc1ccc(cc1F)C(O)=O)C(F)(F)F)-c1ccccc1
Cc1c(nc2ccc(I)cc2c1C(=O)Nc1ccc(cc1F)C(O)=O)-c1ccccc1
Cc1c(nc2ccc(cc2c1C(=O)Nc1ccc(cc1F)C(O)=O)C(C)(C)C)-c1ccccc1
Cc1c(C(=O)Nc2ccc(cc2F)C(O)=O)c2cc(Br)ccc2[n+]([O-])c1-c1ccccc1
Cc1c(C(=O)Nc2ccc(cc2F)C(O)=O)c2cc(Br)ccc2c(=O)n1-c1ccccc1
Cc1c(cc2ccc(Br)cc2c1C(=O)Nc1ccc(cc1F)C(O)=O)-c1ccccc1
Cc1c(nc2ccc(Br)cc2c1C(=O)NC12CCC(CC1)(CC2)C(O)=O)-c1ccccc1
Cc1c(nc2ccc(Br)cc2c1C(=O)NCC(C(O)=O)c1ccccc1Cl)-c1ccccc1
Cc1c(nc2ccc(Br)cc2c1C(=O)NCC(CC(O)=O)c1ccccc1Cl)-c1ccccc1
COc1ccccc1C(CNC(=O)c1c(C)c(nc2ccc(Br)cc12)-c1ccccc1)CC(O)=O
COc1cccc(c1)C(CNC(=O)c1c(C)c(nc2ccc(Br)cc12)-c1ccccc1)CC(O)=O
COc1ccc(cc1)C(CNC(=O)c1c(C)c(nc2ccc(Br)cc12)-c1ccccc1)CC(O)=O
Cc1c(nc2ccc(Br)cc2c1C(=O)NCC(CCC(O)=O)c1ccccc1Cl)-c1ccccc1
Cc1c(nc2ccc(Br)cc2c1C(=O)NCC(CCC(O)=O)c1c(F)ccc(F)c1Cl)-c1ccccc1
Cc1c(nc2ccc(Br)cc2c1C(=O)NCC(CCCC(O)=O)c1ccccc1Cl)-c1ccccc1
Cc1c(nc2ccc(Br)cc2c1C(=O)NCC(CCC(O)=O)c1ccccc1Cl)N1CC(F)(F)C1
Cc1c(nc2ccc(Br)cc2c1C(=O)NC[C@H](CCC(O)=O)c1ccccc1Cl)N1CCCC1 |r|
Cc1c(nc2ccc(Br)cc2c1C(=O)NC[C@@H](CCC(O)=O)c1ccccc1Cl)N1CCCC1 |r|
Cc1c(nc2ccc(Br)cc2c1C(=O)NCC(CCC(O)=O)c1ccccc1Cl)N1CCCCC1
Cc1c(nc2ccc(Br)cc2c1C(=O)NCC(CCC(O)=O)c1c(F)ccc(F)c1Cl)N1CCCCC1
CCC1CCCN(C1)c1nc2ccc(Br)cc2c(C(=O)NCC(CCC(O)=O)c2ccccc2Cl)c1C
Cc1c(nc2ccc(Br)cc2c1C(=O)NCC(CCC(O)=O)c1ccccc1Cl)N1CCCCCC1
CC1(C)C(=O)Nc2nc(nc(N)c12)-n1nc(CCC(F)(F)F)c2cc(Cl)ccc12
C[C@@H]1CCN(C[C@H]1c1cc(nc2ncnn12)C(F)F)c1cc(ccn1)-c1ccccc1 |r|
Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(3.03,8.9,;1.7,8.13,;.37,8.9,;-.97,8.13,;-.97,6.59,;.37,5.82,;1.7,6.59,;3.03,5.82,;3.03,4.28,;1.7,3.51,;4.37,3.51,;5.7,4.28,;7.03,3.51,;7.03,1.97,;8.37,4.28,;8.37,5.82,;7.03,6.59,;5.7,5.82,;4.37,6.59,;4.37,8.13,;.37,10.44,;1.7,11.21,;3.03,10.44,;1.7,12.75,;.37,13.52,;.37,15.06,;1.7,15.83,;-.97,15.83,;-.97,12.75,;-2.43,13.22,;-3.34,11.98,;-4.87,11.82,;-5.49,10.41,;-4.59,9.16,;-3.06,9.32,;-2.43,10.73,;-.97,11.21,;-7.03,10.41,;-6.64,8.92,;-8.37,9.64,;-7.8,11.74,)|
CCn1c(nc2c(ncnc12)-c1cnc2NC(=O)[C@@](C)(NCC(C)(C)F)c2c1)-c1cnc(C)nc1 |r|
CN1C(=O)[C@]2(CCCN2C(=O)C2CC2)c2cc(ccc12)-c1ncnc2n(C)c(nc12)-c1cnc(C)nc1 |r|
CC(C)(CN1[C@@H](C[C@H](C1=O)F)C(=O)N2CC[C@@]3([C@H]2CCc4c3ccc(c4)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c5ccc(cc5)F)O
COc1cc(c(F)cn1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1CC(C)C |r|
COc1c(oc2c3ccoc3ccc2c1=O)-c1ccc2OCOc2c1
O=c1cc(oc2c3ccoc3ccc12)-c1ccccc1
O=c1nc(OC[C@@H]2COCCO2)cc2-c3ccc(cc3CCn12)C#CC1CC1 |r|
O=c1nc(OC[C@H]2COCCO2)cc2-c3ccc(cc3CCn12)C#CC1CC1 |r|
C[C@H]1CCN1c1nc(cc(n1)C(F)(F)F)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1 |r|
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)(F)F)c1ccc(NC2CN(CCCF)C2)cn1 |r|
COc1cc(NC2CN(CCCF)C2)ccc1[C@H]1N(CC2(F)CC2)[C@H](C)Cc2c1ccc1[nH]ncc21 |r|
Fc1ccc(cc1)S(=O)(=O)N1[C@@H](C2CC2)C2(CCS(=O)(=O)CC2)c2cc(ccc12)C(=O)NCc1ncc(cc1Cl)C(F)(F)F
CNC(=O)c1cn(C[C@H](F)CCc2ccc(NC(=O)Cc3cc(OC4CC(F)(F)C4)cc(C)n3)nn2)nn1 |r|
COc1ccccc1C1N(C(=O)c2n[nH]c(c12)C(C)(C)C)c1ccc(cc1)-c1ccsc1
COc1ccccc1C1N(C(=O)c2[nH]nc(c12)C(C)(C)C)c1ccc(cc1)-c1nccs1
COc1ccccc1C1N(C(=O)c2[nH]nc(c12)C(C)(C)C)c1ccc(cc1)-c1nnc(C)o1
COc1ccccc1C1N(C(=O)c2[nH]nc(c12)C(C)(C)C)c1ccc(cc1)-c1nc(C)no1
COc1ccccc1C1N(C(=O)c2[nH]nc(c12)C(C)(C)C)c1ccc(cc1)-c1noc(C)n1
COc1ccccc1C1N(C(=O)c2n[nH]c(c12)C(C)(C)C)c1ccc(cc1)-c1ncco1
COc1ccccc1C1N(C(=O)c2[nH]nc(c12)C(C)(C)C)c1ccc(cc1)-c1cc(C)no1
COc1ccccc1C1N(C(=O)c2[nH]nc(c12)C(C)(C)C)c1ccc(cc1)C(=O)N(C)C
CCOC(=O)c1ccc(cc1)N1C(c2c(n[nH]c2C(C)(C)C)C1=O)c1ccccc1OC
COc1ccccc1C1N(C(=O)c2[nH]nc(c12)C(C)(C)C)c1ccc(F)cc1
COc1ccccc1C1N(C(=O)c2[nH]nc(c12)C(C)(C)C)c1ccc(cc1)-c1ccon1
CC(C)(C)c1[nH]nc2C(=O)N(C(c12)c1ccccc1OCCO)c1ccc(cc1)-c1ccon1
CC(C)(C)c1n[nH]c2C(=O)N(C(c12)c1ccccc1OCCS(C)(=O)=O)c1ccc(cc1)-c1ccon1
CC(C)(C)c1[nH]nc2C(=O)N(C(c12)c1ccccc1OCC(O)=O)c1ccc(cc1)-c1ccon1
COc1ccccc1C1N(C(=O)c2[nH]nc(CCO)c12)c1ccc(cc1)-c1ccon1
COc1ccccc1C1N(C(=O)c2[nH]nc(c12)C(C)(C)CO)c1ccc(cc1)-c1ccon1
COc1ccccc1C1N(C(=O)c2n[nH]c(c12)C(C)(CO)CO)c1ccc(cc1)-c1ccon1
COc1ccccc1-c1nccc(COc2ccccc2C[C@@H](Oc2ncnc3sc(c(-c4ccc(OCCN5CCN(C)CC5)c(Cl)c4C)c23)-c2ccc(F)cc2)C(O)=O)n1 |r,wU:22.23,(38.75,-2.17,;37.42,-2.94,;37.43,-4.48,;38.76,-5.24,;38.77,-6.79,;37.44,-7.57,;36.1,-6.8,;36.1,-5.26,;34.77,-4.49,;34.76,-2.95,;33.42,-2.19,;32.09,-2.96,;32.11,-4.49,;30.78,-5.27,;30.79,-6.81,;29.46,-7.58,;28.12,-6.82,;26.79,-7.59,;26.79,-9.14,;28.12,-9.91,;29.46,-9.13,;30.8,-9.9,;30.8,-11.44,;32.13,-12.21,;32.14,-13.75,;30.81,-14.52,;30.81,-16.06,;32.14,-16.83,;33.49,-16.04,;34.95,-16.5,;35.84,-15.25,;34.92,-14.02,;35.38,-12.56,;34.34,-11.43,;34.79,-9.96,;36.3,-9.62,;36.76,-8.15,;38.26,-7.81,;39.31,-8.95,;40.81,-8.61,;41.85,-9.75,;43.35,-9.41,;43.82,-7.94,;45.32,-7.61,;42.78,-6.81,;41.27,-7.14,;37.35,-10.76,;38.85,-10.42,;36.88,-12.22,;37.93,-13.36,;33.47,-14.51,;37.37,-15.23,;38.15,-16.56,;39.69,-16.55,;40.45,-15.2,;41.99,-15.19,;39.65,-13.87,;38.12,-13.9,;29.47,-12.21,;28.13,-11.45,;29.47,-13.75,;33.44,-5.27,)|
CC(=O)Nc1ncc(CN2CCC3(CCN(C3)c3cc(C)nc4ccccc34)C2)s1
CN(C)CCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(cc2n1)C(C)(C)O
Fc1ccnc2[nH]cc(-c3csc(NC(=O)Cc4cccc(OCCCC5CCNCC5)c4)n3)c12
CN1CCN(CCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncc(F)cc34)c2)CC1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncc(Br)cc23)c1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncc(Cl)cc23)c1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3nccc(Cl)c23)c1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncc(O)cc23)c1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncc(F)cc23)c1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3nccc(F)c23)c1
Cc1sc(NC(=O)Cc2cccc(NS(C)(=O)=O)c2)nc1-c1c[nH]c2ncccc12
CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(ncn2)-c2c[nH]c3ncccc23)c1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nccc(n2)-c2c[nH]c3ncccc23)c1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nnc(s2)-c2c[nH]c3ncccc23)c1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(cs2)-c2c[nH]c3ncccc23)c1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2ccc(s2)-c2c[nH]c3ncccc23)c1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2cnc(s2)-c2c[nH]c3ncccc23)c1
C[C@]12CCCN1Cc1n[nH]c(=O)c3cc(F)cc4[nH]c2c1c34 |r|
Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@H](CC4)C(O)=O)ccc3n2C)c1 |r,wU:13.12,16.19,(5.4,-17.02,;6.94,-17.02,;7.71,-15.68,;9.25,-15.69,;10.02,-17.02,;9.24,-18.35,;10,-19.68,;11.54,-19.69,;12.44,-20.94,;13.91,-20.47,;15.25,-21.24,;16.59,-20.47,;17.92,-21.23,;19.25,-20.46,;19.25,-18.93,;20.59,-18.16,;21.93,-18.94,;21.92,-20.48,;20.59,-21.24,;23.26,-18.17,;24.59,-18.94,;23.27,-16.63,;16.58,-18.91,;15.24,-18.15,;13.92,-18.93,;12.45,-18.44,;11.98,-16.98,;7.7,-18.35,)|
Cc1nc(-c2cccc(c2)C#N)n(OCc2ccc(cc2)C#N)c1C(O)=O
CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(Cn2ccnc2)c1
COC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(c1)C(=O)Cn1ccnc1C(C)(C)C
[H][C@@]1(CC[C@@]2(COc3cc(ccc23)C(F)(F)F)CC1)[C@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:4.4,19.22,wD:1.0,(49.52,-49.21,;49.47,-50.71,;50.8,-49.93,;52.14,-50.7,;52.14,-52.25,;53.43,-51.41,;54.62,-52.38,;54.07,-53.81,;54.76,-55.17,;53.93,-56.45,;52.39,-56.37,;51.7,-55,;52.54,-53.72,;54.62,-57.81,;55.95,-57.04,;55.96,-58.58,;53.79,-59.11,;50.8,-53.03,;49.47,-52.25,;48.13,-49.95,;48.12,-48.41,;46.79,-50.72,;46.79,-52.27,;45.45,-49.96,;44.12,-50.73,;44.12,-52.29,;42.78,-53.07,;41.44,-52.29,;40.1,-53.06,;41.44,-50.74,;42.77,-49.97,)|
C[C@H](C1CCC(CC1)c2ccnc3c2cc(cc3)F)C(=O)Nc4ccc(cc4)Cl
O[C@H]1CN(CC[C@@H]1c1ccnc2ccc(F)cc12)C(=O)C(=O)Nc1ccc(Cl)cc1 |r|
CCS(=O)(=O)c1ccc(CNC(=O)N2CC(C)(C)c3nc(ccc23)-c2c(OC)ncnc2C2CC2)cc1
CNS(=O)(=O)c1ccc(CNC(=O)N2CC3(CCCC3)c3nc(ccc23)-c2ccc(O)cc2C)cc1
O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CC2CCC(C1)N2c1ccc(cn1)C#N |TLB:1:16:23:19.20|
OC(=O)C1CN(Cc2ccc3-c4noc(c4CCc3c2)-c2onc(c2C(F)(F)F)-c2ccccc2)C1
C[C@@H]1CN(CCN1c1cccc(n1)C(=O)NC1C2CC3CC1CC(O)(C3)C2)c1ccc(cc1)S(C)(=O)=O |r,wD:1.0,TLB:15:16:25.19.20:22,16:17:25:20.21.22,THB:18:19:22:26.17.16,18:17:25.19.20:22,16:21:25:26.18.17,(60.04,-10.5,;60.05,-8.96,;58.71,-8.19,;58.71,-6.65,;60.05,-5.88,;61.38,-6.65,;61.37,-8.19,;62.71,-8.97,;62.7,-10.51,;64.04,-11.28,;65.37,-10.51,;65.37,-8.96,;64.03,-8.2,;66.7,-8.19,;66.7,-6.65,;68.04,-8.95,;69.37,-8.18,;69.34,-6.65,;70.32,-5.35,;71.74,-5.88,;71.78,-7.46,;70.78,-8.72,;72.11,-8.21,;72.07,-6.73,;73.54,-7.12,;73.23,-5.42,;70.73,-6.27,;57.39,-5.88,;57.4,-4.33,;56.07,-3.56,;54.73,-4.32,;54.73,-5.87,;56.06,-6.64,;53.4,-3.54,;52.06,-4.32,;52.62,-2.21,;54.16,-2.2,)|
CNC(=O)c1ccc(cn1)N1CCN([C@H](C)C1)c1cccc(n1)C(=O)NC1C2CC3CC1CC(O)(C3)C2 |r,wD:14.15,TLB:26:27:35:30.31.32,25:26:35.29.30:32,THB:28:29:32:36.27.26,28:27:35.29.30:32,26:31:35:36.28.27,(4.17,-28.53,;5.5,-29.31,;5.49,-30.84,;4.16,-31.61,;6.83,-31.62,;8.17,-30.86,;9.49,-31.63,;9.49,-33.17,;8.16,-33.94,;6.83,-33.17,;10.81,-33.94,;12.15,-33.18,;13.48,-33.95,;13.47,-35.49,;12.14,-36.26,;12.14,-37.8,;10.81,-35.48,;14.8,-36.27,;14.8,-37.81,;16.14,-38.58,;17.47,-37.81,;17.47,-36.26,;16.13,-35.5,;18.8,-35.49,;18.79,-33.95,;20.14,-36.25,;21.46,-35.48,;21.44,-33.95,;22.42,-32.65,;23.84,-33.18,;23.88,-34.76,;22.87,-36.02,;24.21,-35.51,;24.16,-34.03,;25.64,-34.42,;25.33,-32.72,;22.83,-33.57,)|
C[C@@H]1CN(CCN1c1cccc(n1)C(=O)NC1C2CC3CC1CC(O)(C3)C2)c1ccc(nc1)C(C)(C)O |r,wD:1.0,TLB:15:16:25.19.20:22,16:17:25:20.21.22,THB:18:19:22:26.17.16,18:17:25.19.20:22,16:21:25:26.18.17,(39.23,-39.73,;39.23,-38.2,;37.9,-37.42,;37.9,-35.88,;39.24,-35.12,;40.56,-35.88,;40.56,-37.42,;41.89,-38.2,;41.89,-39.74,;43.22,-40.51,;44.56,-39.74,;44.55,-38.2,;43.22,-37.43,;45.88,-37.42,;45.88,-35.88,;47.22,-38.18,;48.55,-37.41,;48.52,-35.88,;49.5,-34.58,;50.92,-35.11,;50.96,-36.7,;49.96,-37.95,;51.29,-37.44,;51.25,-35.96,;52.72,-36.35,;52.41,-34.66,;49.91,-35.5,;36.57,-35.11,;36.58,-33.57,;35.25,-32.79,;33.92,-33.56,;33.92,-35.11,;35.25,-35.87,;32.58,-32.78,;31.81,-31.44,;33.35,-31.44,;31.25,-33.55,)|
C[C@@H]1CN(CCN1c1nccc(n1)C(=O)NC1C2CC3CC1CC(O)(C3)C2)c1ccc(cc1)S(C)(=O)=O |r,wD:1.0,TLB:15:16:25.19.20:22,16:17:25:20.21.22,THB:18:19:22:26.17.16,18:17:25.19.20:22,16:21:25:26.18.17,(11.63,-22.2,;11.63,-20.66,;10.3,-19.89,;10.3,-18.35,;11.64,-17.58,;12.96,-18.35,;12.96,-19.89,;14.29,-20.67,;14.29,-22.21,;15.62,-22.98,;16.96,-22.21,;16.96,-20.66,;15.62,-19.9,;18.29,-19.89,;18.28,-18.35,;19.62,-20.65,;20.95,-19.88,;20.93,-18.35,;21.91,-17.05,;23.33,-17.58,;23.37,-19.16,;22.36,-20.42,;23.7,-19.91,;23.65,-18.43,;25.13,-18.82,;24.82,-17.12,;22.31,-17.97,;8.97,-17.57,;8.98,-16.03,;7.65,-15.26,;6.32,-16.02,;6.32,-17.57,;7.65,-18.34,;4.98,-15.24,;3.65,-16.02,;4.21,-13.91,;5.75,-13.9,)|
C[C@@H]1CN(CCN1c1nccc(n1)C(=O)NC1C2CC3CC1CC(O)(C3)C2)c1ccc(cc1F)S(C)(=O)=O |r,wD:1.0,TLB:15:16:25.19.20:22,16:17:25:20.21.22,THB:18:19:22:26.17.16,18:17:25.19.20:22,16:21:25:26.18.17,(37.25,-23.6,;37.25,-22.06,;35.92,-21.28,;35.92,-19.74,;37.26,-18.98,;38.59,-19.75,;38.58,-21.29,;39.91,-22.07,;39.91,-23.61,;41.25,-24.38,;42.58,-23.61,;42.58,-22.06,;41.24,-21.3,;43.91,-21.28,;43.9,-19.74,;45.25,-22.05,;46.58,-21.27,;46.55,-19.75,;47.53,-18.44,;48.95,-18.98,;48.99,-20.56,;47.99,-21.82,;49.32,-21.31,;49.28,-19.82,;50.75,-20.21,;50.44,-18.52,;47.94,-19.37,;34.6,-18.97,;34.6,-17.43,;33.27,-16.65,;31.94,-17.42,;31.94,-18.97,;33.27,-19.73,;33.26,-21.27,;30.6,-16.64,;29.27,-17.41,;29.82,-15.3,;31.37,-15.3,)|
Nc1ccc(cn1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1
CC(C)(Oc1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1)C(O)=O
[H][C@@]12Cn3cc(C(=O)NCc4ccc5nonc5c4)c(=O)c(O)c3C(=O)N1[C@@H](C)CO2 |r|
[H][C@@]12Cn3cc(C(=O)NCc4ccc(F)nc4F)c(=O)c(O)c3C(=O)N1[C@@H](C)CO2 |r|
CCCCCc1cc(c(c(c1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O
C[C@@H](Nc1c(Cl)c(C)nc2cc(F)c(nc12)-c1cnc(nc1)C(C)(C)O)c1cc(ccc1F)C#N |r|
C[C@H](CN1CCC[C@@H]1C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r|
C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)C(=O)c1cccc(Cl)c1 |r|
C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)C(=O)OC1CC1 |r|
C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2N(CCCc2n1)c1ccnc(n1)C(F)(F)F |r|
Cc1c(ccc2c3ocnc3c(=O)n(C3CC3)c12)-c1cc(F)c(N)cc1F
Cc1c(ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12)-c1cc(F)c(N)cc1F
Cc1c(ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12)-c1cnc2[nH]ncc2c1
Cc1c(ccc2c3oc(CN)nc3c(=O)n(C3CC3)c12)-c1ccc2[nH]ncc2c1
[H][C@]1(CCN(C1)c1c(F)cc2c3oc(C)nc3c(=O)n(C3CC3)c2c1Cl)[C@H](C)N |r|
CNc1nc(Nc2ccc(c(OC)c2)-n2cnc(C)n2)nc2[C@@H](CCc12)c1ccc(F)cc1 |r|
CC(C)OC1CN(C1)C(=O)NCc1ccc(cc1C)-c1ccnc(Nc2cnn(C)c2)n1
[H][C@@]12CCc3cc(c(F)cc3[C@@]1(CCN2C(=O)[C@@H]1CC[C@H](C[C@@H]1C)C(O)=O)S(=O)(=O)c1ccccc1)C(F)(C(F)(F)F)C(F)(F)F |r|
CNc1nc(Nc2ccc(c(OC)c2)-n2cnc(C)n2)nc2[C@H](CCc12)c1ccc(F)cc1 |r|
CN(C)C(=O)c1ccc(Oc2nc(nc(n2)-c2ccc(N)nc2)N2CCOCC2)cc1
CN(C)C(=O)c1ccc(Oc2nc(nc(n2)-c2ccnc3[nH]ccc23)N2CCOCC2)cc1
CN(C)C(=O)c1ccc(Oc2nc(nc(n2)-c2cnc(N)s2)N2CCOCC2)cc1
c1ccc(cc1)COc2c3c(nc(n2)N)nn[nH]3
Nc1cc(Cc2ccccc2)c2nn[nH]c2n1
c1ccc(cc1)C[C@H](c2ccccc2)c3cc(nc4c3nn[nH]4)N
Nc1cc([C@H](CCCc2ccccc2)c2ccccc2)c2nn[nH]c2n1 |r|
Nc1cc([C@H](CCOCc2ccccc2)c2ccccc2)c2nn[nH]c2n1 |r|
Nc1cc([C@H](CCNCc2ccccc2)c2ccccc2)c2nn[nH]c2n1 |r|
CCn1nc2CCCCc2c1Nc1nc(cs1)-c1ccc(c(OC)n1)-n1cnc(C)c1
COc1nc(ccc1-n1cnc(C)c1)-c1csc(Nc2c3CCCCc3nn2C(C)(C)C)n1
COc1nc(ccc1-n1cnc(C)c1)-c1csc(Nc2c3CCCCc3nn2C2CCC2)n1
COc1nc(ccc1-n1cnc(C)c1)-c1csc(Nc2c3CCCCc3nn2CCF)n1
COc1nc(ccc1-n1cnc(C)c1)-c1csc(Nc2c3CCCCc3nn2CCO)n1
COc1nc(ccc1-n1cnc(C)c1)-c1csc(Nc2c3CCCCc3nn2CCCO)n1
COc1nc(ccc1-n1cnc(C)c1)-c1csc(Nc2c3CCCCc3nn2CC(C)(C)O)n1
COc1nc(ccc1-n1cnc(C)c1)-c1csc(Nc2cc(nn2C(C)C)C(C)(C)C)n1
COc1nc(ccc1-n1cnc(C)c1)-c1csc(Nc2cc(nn2CCF)C(C)(C)C)n1
COc1nc(ccc1-n1cnc(C)c1)-c1csc(Nc2cc(nn2CC(F)(F)F)C(C)(C)C)n1
CCn1nc(cc1Nc1nc(cs1)-c1ccc(c(OC)n1)-n1cnc(C)c1)C1(C)CC1
CCn1nc(cc1Nc1nc(cs1)-c1ccc(c(OC)n1)-n1cnc(C)c1)C(F)(F)F
COc1nc(ccc1-n1cnc(C)c1)-c1csc(Nc2c3CCCc3nn2C)n1
CCn1nc2CCCc2c1Nc1nc(cs1)-c1ccc(c(OC)n1)-n1cnc(C)c1
COc1nc(ccc1-n1cnc(C)c1)-c1csc(Nc2c3CCCc3nn2CCF)n1
COc1nc(ccc1-n1cnc(C)c1)-c1csc(Nc2c3CCCc3nn2CC(F)(F)F)n1
COc1nc(ccc1-n1cnc(C)c1)-c1csc(Nc2c3CCCc3nn2CCO)n1
CCn1nc2c(CCC2(C)C)c1Nc1nc(cs1)-c1ccc(c(OC)n1)-n1cnc(C)c1
CCn1nc2c(C(C)CC2(C)C)c1Nc1nc(cs1)-c1ccc(c(OC)n1)-n1cnc(C)c1
CCn1nc2CCCCCc2c1Nc1nc(cs1)-c1ccc(c(OC)n1)-n1cnc(C)c1
c1cc(c(cc1C2=NNC(=O)O2)C(F)(F)F)Cl
CC[C@@H](c1nc2cccc(F)c2c(=O)n1C1CC1)n1nc(-c2ccc(OC)c(F)c2)c2c(N)ncnc12 |r|
CO[C@@H](C)c1c(NC(=O)Nc2cnc(c(Cl)c2)-n2nccn2)cnc2cc(Cl)nn12 |r|
CO[C@@H](C)c1c(NC(=O)Nc2ccnc(c2)C(F)(F)F)cnc2cc(Cl)nn12 |r|
CC(=O)N1CCN(CCOCc2ccn(n2)-c2ccc(F)c(F)c2)CC1
C[C@@H](c1cc(ccn1)OCC(F)F)n2cnc3c2nc(nc3N)Cl
[H][C@]12CN([C@H](F)CC1)C(=O)N2OS([O-])(=O)=O |r|
Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1 |r|
Cc1cc(NC2CCc3cc(Cl)ccc3C2)n2nc(nc2n1)C(C)(F)F
Cc1cc(N[C@H]2CCc3ccc(Cl)cc3C2)n2nc(nc2n1)C(C)(F)F |r|
Cc1cc(NC2CCc3cc(Br)ccc3C2)n2nc(nc2n1)C(C)(F)F
Cc1cc(n2c(n1)nc(n2)C(C)(F)F)N[C@H]3CCc4ccc(cc4C3)Br
Cc1cc(NC2Cc3cc(F)c(F)cc3C2)n2nc(nc2n1)C(C)(F)F
CC(C)(O)C#Cc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r|
C#Cc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r|
N#Cc1cnc(Nc2cc(NC[C@@H]3CNCCO3)c(cn2)C2CC2)cn1 |r|
Clc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r|
FC(F)(F)c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r|
Nc1ccc(cn1)-c1nc(N2CCOCC2)c2ncn(CCCCCCC(=O)NO)c2n1
OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(CCCCCCC(=O)NO)c2n1
Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ncn(CCCCCCC(=O)NO)c2n1
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
CC(=O)Nc1ccc(cc1)O
CNC(=O)c1ccccc1S(=O)(=O)NCC(=O)Nc1ccc(O)cc1
Oc1ccc(NC(=O)CNS(=O)(=O)c2ccccc2C(=O)NCCc2ccc(O)c(O)c2)cc1
COc1ccc(cc1)C(Oc1ccc(N(CC(O)=O)S(=O)(=O)c2c(C)cc(C)cc2C)c2ccccc12)C(O)=O
[O-][N+](=O)c1cn2C[C@@H](COc2n1)OCc1ccc(cc1)-c1ccc(cc1Cl)C(F)(F)F |r|
CC1(COc2ccc(OC(F)(F)F)cc2)CCn2cc(nc2O1)[N+]([O-])=O
Cn1cc(cn1)-c1nc2c(cnn2cc1OCCC(C)(C)O)-c1ccnc(OC2CC2)c1
[H][C@@]12CCc3nc(ccc3[C@@]1(CCN2C(=O)C1CCS(=O)(=O)CC1)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r|
[H][C@@]12CCc3nc(ccc3[C@@]1(CCN2C(=O)[C@@H]1CCC(=O)N1CCC#N)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r|
[H][C@@]12CCc3cc(ncc3[C@@]1(CCN2C(=O)[C@@H]1CCC(=O)N1CCC#N)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r|
[H][C@@]12CCc3cc(cnc3[C@@]1(CCN2C(=O)[C@@H]1CCC(=O)N1CCC#N)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r|
Fc1ccc(cc1)S(=O)(=O)[C@@]12CCN([C@@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)C(=O)C1CCS(=O)(=O)CC1 |r|
Fc1ccc(cc1)S(=O)(=O)[C@@]12CCN([C@@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)C(=O)[C@@H]1CCC(=O)N1CCC#N |r|
[H][C@@]12CCc3nc(ccc3[C@@]1(CC[C@H]2NC(=O)C(C)(C)O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r|
[H][C@@]12CCc3nc(ccc3[C@@]1(CC[C@H]2NC(=O)CC(C)(C)O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r|
[H][C@@]12CCc3nc(ccc3[C@@]1(CC[C@H]2NC(=O)C1CCS(=O)(=O)CC1)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r|
C[C@@](CS(=O)(=O)C)(C(=O)N[C@@H]1CC[C@@]2([C@H]1CCc3c2ccc(n3)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c4ccc(cc4)F)O
CC(C)(O)CC(=O)N[C@@H]1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
Fc1ccc(cc1)S(=O)(=O)[C@@]12CC[C@@H](NC(=O)C3CCS(=O)(=O)CC3)[C@@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F |r|
[H][C@@]12CCc3cc(ccc3[C@@]1(CC[C@H]2NC(=O)[C@@](C)(O)CS(C)(=O)=O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r|
[H][C@@]12CCc3cc(ccc3[C@@]1(CC[C@H]2NC(=O)[C@](C)(O)CS(C)(=O)=O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r|
CN[C@@H]1CC[C@@H]([C@@H](C1)NC(C)=O)N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O |r|
CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)NC(C)(C)C |r|
CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(OC(F)(F)F)cc23)C1=O)NC(C)(C)C |r|
Cc1cccc2n(Cc3cccc(c3C#N)C(F)(F)F)c(=O)n(C[C@H]3CC[C@@H](CC3)C(O)=O)c(=O)c12 |r,wU:27.31,wD:24.24,(38.6,-28.72,;38.6,-30.26,;37.27,-31.03,;37.27,-32.58,;38.61,-33.35,;39.94,-32.58,;41.29,-33.35,;41.29,-34.89,;39.96,-35.66,;38.63,-34.89,;37.3,-35.66,;37.3,-37.2,;38.64,-37.97,;39.97,-37.19,;41.31,-37.96,;42.65,-38.72,;38.65,-39.51,;37.25,-40.21,;40.24,-39.64,;38.49,-40.96,;42.63,-32.57,;43.97,-33.34,;42.62,-31.01,;43.96,-30.24,;45.29,-31.01,;45.29,-32.55,;46.62,-33.32,;47.95,-32.55,;47.95,-31.01,;46.61,-30.23,;49.28,-33.32,;50.62,-32.55,;49.28,-34.86,;41.27,-30.24,;41.27,-28.69,;39.94,-31.02,)|
CN[C@H](CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ncc(F)s1)CC(C)(C)C
CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cn[nH]c2n1
CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1
CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1
CC[C@](CO)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12 |r|
Cc1cc(ccn1)-c1ccc2OCCn3c(Oc4cccc(Cl)c4F)nnc3-c2c1
Cc1cc(ccn1)-c1ccc2OCCn3c(Oc4ccccc4Cl)nnc3-c2c1
Cc1cc(ccn1)-c1ccc2OCCn3c(Oc4ccccc4OC(F)(F)F)nnc3-c2c1
Cc1cc(ccn1)-c1ccc2OCCn3c(Oc4cccc(OC(F)(F)F)c4)nnc3-c2c1
Cc1cc(ccn1)-c1ccc2OCCn3c(Oc4cccc(Cl)c4)nnc3-c2c1
Cc1cc(ccn1)-c1ccc2OCCn3c(Cc4cccc(Cl)c4)nnc3-c2c1
Cc1cc(ccn1)-c1ccc2OCCn3c(Nc4cccc(OC(F)(F)F)c4)nnc3-c2c1
FC(F)(F)Oc1cccc(Nc2nnc3-c4cc(ccc4OCCn23)-c2ccncc2)c1
CCc1cc(ccn1)-c1ccc2OCCn3c(Nc4cccc(c4)C(F)(F)F)nnc3-c2c1
Cc1cc(ccn1)-c1ccc2OCCn3c(Nc4cccc(c4)C(F)(F)F)nnc3-c2c1
FC(F)(F)c1cccc(Nc2nnc3-c4cc(ccc4OCCn23)-c2ccncc2)c1
Cc1cc(ccn1)-c1ccc2OCCn3c(Nc4cccc(Cl)c4)nnc3-c2c1
Clc1ccc(NC(=O)N2CCOc3ccc(cc3C2)-c2ccncc2)cc1Cl
Clc1cccc(NC(=O)N2CCOc3ccc(cc3C2)-c2ccncc2)c1
CCCCCCCCC1CCc2cc(CCC(N)(CO)CO)ccc2C1
CCCCCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(CO)C1 |r|
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
[O-][N+](=O)c1ccc(F)c(c1)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1
CCOc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)nc2[nH]ccc12
NC[C@H](NC(=O)c1ccc([nH]1)-c1ccc(c(F)c1)C(F)(F)F)c1nc(CO)cs1 |r|
NC[C@H](NC(=O)c1ccc([nH]1)-c1cc(F)c(Cl)c(F)c1)c1nc(CO)cs1 |r|
FC(F)(F)Oc1ccc(OCCCCN2CCn3c(nc4ccccc34)C2=O)cc1
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cc2c(OCC#CC#CCOc3ncnc4cc(OC)c(NC(=O)[C@@H]5CCCN5C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc34)ncnc2cc1OC)C(C)(C)C |r|
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cc2c(OCC#CCOc3ncnc4cc(OC)c(NC(=O)[C@@H]5CCCN5C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc34)ncnc2cc1OC)C(C)(C)C |r|
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cc2c(NCCOCCOCCNc3ncnc4cc(OC)c(NC(=O)[C@@H]5CCCN5C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc34)ncnc2cc1OC)C(C)(C)C |r|
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cc2c(NCCCCCCCCNc3ncnc4cc(OC)c(NC(=O)[C@@H]5CCCN5C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc34)ncnc2cc1OC)C(C)(C)C |r|
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cc2c(N[C@H]3CC[C@H](CC3)Nc3ncnc4cc(OC)c(NC(=O)[C@@H]5CCCN5C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc34)ncnc2cc1OC)C(C)(C)C |r,wU:43.44,50.60,2.2,26.30,23.23,wD:54.57,14.15,7.78,(63.14,-55.68,;62.78,-57.17,;61.3,-57.6,;60.93,-59.1,;60.19,-56.54,;60.55,-55.04,;58.71,-56.97,;57.59,-55.91,;56.12,-56.34,;55.68,-57.81,;55.06,-55.22,;55.35,-53.7,;53.99,-52.97,;52.87,-54.02,;53.54,-55.42,;52.8,-56.77,;53.6,-58.08,;51.26,-56.81,;50.52,-58.16,;48.98,-58.19,;48.25,-59.54,;46.71,-59.57,;45.8,-58.33,;44.27,-58.5,;43.64,-59.91,;42.11,-60.07,;41.21,-58.83,;41.82,-57.42,;43.35,-57.25,;39.68,-58.99,;38.77,-57.75,;37.23,-57.86,;36.36,-56.58,;37.04,-55.2,;38.58,-55.09,;39.25,-53.71,;40.78,-53.6,;41.45,-52.21,;40.58,-50.94,;41.65,-54.88,;43.18,-54.77,;43.86,-53.39,;42.99,-52.11,;45.39,-53.28,;46.38,-54.45,;47.81,-53.87,;47.7,-52.34,;46.2,-51.97,;45.62,-50.54,;44.1,-50.33,;46.57,-49.32,;45.99,-47.9,;46.93,-46.68,;48.46,-46.89,;46.35,-45.25,;44.83,-45.04,;47.3,-44.04,;48.82,-44.25,;48.1,-49.54,;48.4,-48.02,;49.56,-49.04,;48.68,-50.96,;40.97,-56.26,;39.43,-56.37,;45.97,-60.92,;46.76,-62.24,;48.3,-62.22,;49.04,-60.86,;50.58,-60.83,;51.33,-59.48,;52.87,-59.45,;53.67,-60.76,;57.96,-54.4,;58.83,-53.13,;59.5,-54.52,;56.85,-53.35,)|
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cc2c(N[C@H]3CC[C@@H](CC3)Nc3ncnc4cc(OC)c(NC(=O)[C@@H]5CCCN5C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc34)ncnc2cc1OC)C(C)(C)C |r,wU:43.44,50.60,2.2,26.30,wD:54.57,14.15,7.78,23.23,(29.4,-55.7,;28.95,-57.18,;27.45,-57.52,;27,-58.99,;26.4,-56.39,;26.85,-54.92,;24.9,-56.74,;23.85,-55.61,;22.35,-55.95,;21.83,-57.4,;21.36,-54.78,;21.73,-53.28,;20.42,-52.47,;19.25,-53.46,;19.83,-54.89,;19.01,-56.19,;19.74,-57.55,;17.47,-56.14,;16.66,-57.45,;15.12,-57.4,;14.31,-58.7,;12.77,-58.64,;11.86,-57.4,;10.32,-57.57,;9.41,-56.32,;7.88,-56.49,;7.27,-57.89,;8.17,-59.14,;9.7,-58.98,;5.73,-58.06,;4.82,-56.81,;3.29,-56.94,;2.41,-55.66,;3.08,-54.27,;4.62,-54.15,;5.28,-52.77,;6.81,-52.65,;7.47,-51.26,;6.6,-49.99,;7.68,-53.93,;9.22,-53.81,;9.89,-52.42,;9.02,-51.15,;11.42,-52.31,;12.42,-53.48,;13.84,-52.89,;13.73,-51.35,;12.23,-50.99,;11.64,-49.57,;10.11,-49.36,;12.58,-48.35,;11.99,-46.92,;12.93,-45.7,;14.46,-45.91,;12.34,-44.28,;10.82,-44.08,;13.28,-43.06,;14.81,-43.26,;14.11,-48.55,;14.4,-47.03,;15.57,-48.05,;14.69,-49.97,;7.01,-55.31,;5.48,-55.43,;11.95,-59.94,;12.67,-61.31,;14.21,-61.37,;15.02,-60.06,;16.56,-60.12,;17.39,-58.82,;18.92,-58.87,;19.65,-60.23,;24.3,-54.13,;25.25,-52.91,;25.84,-54.34,;23.25,-53.01,)|
CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)Nc1cc2c(NC[C@H]3CC[C@H](CNc4ncnc5cc(OC)c(NC(=O)[C@@H]6CCCN6C(=O)[C@@H](NC(=O)[C@H](C)NC)C6CCCCC6)cc45)CC3)ncnc2cc1OC |r,wU:2.2,49.50,33.35,56.66,wD:20.22,30.31,7.7,60.63,(55.8,-21.31,;57,-22.28,;56.75,-23.8,;57.94,-24.78,;55.31,-24.35,;54.11,-23.37,;55.06,-25.87,;53.62,-26.41,;52.42,-25.43,;52.67,-23.91,;51.48,-22.93,;50.04,-23.47,;49.78,-25,;50.98,-25.98,;53.37,-27.93,;54.51,-28.96,;51.9,-28.4,;50.66,-27.49,;49.41,-28.39,;49.88,-29.86,;51.43,-29.86,;52.33,-31.11,;53.86,-30.95,;51.7,-32.51,;52.6,-33.76,;51.97,-35.17,;52.87,-36.41,;52.24,-37.81,;50.71,-37.98,;49.79,-36.74,;48.26,-36.91,;47.35,-35.66,;45.82,-35.83,;45.2,-37.24,;43.67,-37.4,;42.76,-36.16,;41.23,-36.32,;40.61,-37.73,;39.07,-37.9,;38.17,-36.65,;38.79,-35.24,;37.89,-34,;38.52,-32.6,;37.61,-31.35,;36.08,-31.51,;40.05,-32.43,;40.68,-31.03,;39.78,-29.78,;38.25,-29.94,;40.41,-28.37,;41.91,-28.06,;42.07,-26.52,;40.66,-25.9,;39.63,-27.04,;38.1,-26.88,;37.2,-28.13,;37.47,-25.47,;35.94,-25.31,;35.31,-23.91,;36.22,-22.66,;33.78,-23.75,;32.88,-24.99,;33.15,-22.34,;34.06,-21.1,;38.38,-24.22,;39.92,-24.4,;40.82,-23.15,;40.2,-21.74,;38.66,-21.57,;37.75,-22.82,;40.96,-33.68,;40.33,-35.09,;46.11,-38.48,;47.64,-38.32,;53.13,-39.06,;54.67,-38.92,;55.31,-37.52,;54.4,-36.26,;55.04,-34.86,;54.14,-33.61,;54.78,-32.2,;56.31,-32.05,)|
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cc2c(NC[C@H]3CC[C@@H](CNc4ncnc5cc(OC)c(NC(=O)[C@@H]6CCCN6C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc45)CC3)ncnc2cc1OC)C(C)(C)C |r,wU:2.2,43.43,27.28,24.24,50.59,wD:14.15,54.56,7.80,(25.45,-22.05,;26.64,-23.02,;26.39,-24.54,;27.58,-25.52,;24.95,-25.09,;23.76,-24.11,;24.7,-26.61,;23.26,-27.15,;23.01,-28.67,;24.16,-29.7,;21.55,-29.14,;20.31,-28.23,;19.06,-29.13,;19.53,-30.6,;21.07,-30.6,;21.97,-31.85,;23.51,-31.69,;21.34,-33.25,;22.25,-34.5,;21.62,-35.91,;22.51,-37.15,;21.88,-38.55,;20.35,-38.72,;19.44,-37.48,;17.91,-37.65,;17.28,-39.06,;15.76,-39.22,;14.85,-37.98,;13.32,-38.14,;12.41,-36.9,;10.88,-37.06,;10.26,-38.47,;8.71,-38.64,;7.81,-37.39,;8.44,-35.98,;7.54,-34.74,;8.16,-33.34,;7.25,-32.09,;5.72,-32.25,;9.7,-33.17,;10.33,-31.77,;9.42,-30.52,;7.89,-30.68,;10.05,-29.11,;11.55,-28.8,;11.71,-27.26,;10.31,-26.64,;9.28,-27.78,;7.74,-27.62,;6.84,-28.87,;7.12,-26.21,;5.58,-26.05,;4.96,-24.65,;5.86,-23.4,;3.43,-24.49,;2.52,-25.73,;2.8,-23.08,;3.7,-21.83,;8.03,-24.96,;6.83,-23.98,;8.27,-23.44,;9.55,-25.13,;10.6,-34.42,;9.97,-35.82,;15.46,-36.57,;16.99,-36.4,;22.77,-39.8,;24.31,-39.66,;24.95,-38.26,;24.05,-37,;24.69,-35.6,;23.79,-34.35,;24.42,-32.94,;25.95,-32.79,;22.07,-26.17,;21.29,-24.83,;22.84,-24.83,;20.63,-26.72,)|
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cc2c(NC[C@H]3CC[C@H](CNc4ncnc5cc(OC)c(NC(=O)[C@@H]6CCCN6C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc45)CC3)ncnc2cc1OC)C(C)(C)C |r,wU:43.43,27.28,50.59,2.2,wD:54.56,24.24,14.15,7.80,(62.68,-1.97,;63.87,-2.95,;63.62,-4.47,;64.81,-5.44,;62.18,-5.01,;60.99,-4.04,;61.93,-6.53,;60.49,-7.08,;60.25,-8.59,;61.39,-9.62,;58.78,-9.06,;57.54,-8.16,;56.29,-9.06,;56.76,-10.52,;58.3,-10.53,;59.2,-11.77,;60.74,-11.62,;58.57,-13.18,;59.48,-14.43,;58.85,-15.83,;59.74,-17.08,;59.11,-18.48,;57.58,-18.65,;56.67,-17.4,;55.14,-17.57,;54.22,-16.33,;52.7,-16.5,;52.08,-17.9,;50.55,-18.07,;49.64,-16.82,;48.11,-16.99,;47.49,-18.4,;45.95,-18.56,;45.04,-17.31,;45.67,-15.9,;44.77,-14.66,;45.39,-13.26,;44.48,-12.02,;42.95,-12.18,;46.93,-13.1,;47.56,-11.69,;46.65,-10.44,;45.12,-10.6,;47.28,-9.04,;48.78,-8.72,;48.94,-7.19,;47.54,-6.56,;46.51,-7.7,;44.97,-7.54,;44.07,-8.79,;44.35,-6.14,;42.82,-5.98,;42.19,-4.57,;43.09,-3.33,;40.66,-4.41,;39.75,-5.66,;40.03,-3.01,;40.93,-1.76,;45.26,-4.89,;44.06,-3.91,;45.51,-3.36,;46.78,-5.05,;47.83,-14.35,;47.2,-15.75,;52.99,-19.15,;54.52,-18.98,;60.01,-19.73,;61.54,-19.58,;62.18,-18.18,;61.28,-16.93,;61.92,-15.53,;61.02,-14.27,;61.65,-12.87,;63.18,-12.71,;59.3,-6.1,;58.52,-4.76,;60.07,-4.76,;57.86,-6.65,)|
C[C@H]1C[C@H](C[C@@H](O)[C@@]1(O)CF)c1ccncc1NC(=O)c1nc(ncc1N)-c1c(F)cccc1F |r|
C[C@H]1C[C@H](C[C@@H](O)[C@]1(C)O)c1ccncc1NC(=O)c1nc(ncc1N)-c1c(F)cccc1F |r|
Nc1cc(F)c(cc1C(=O)Nc1ccc(F)c(c1)C(F)F)S(=O)(=O)N1CCC(O)CC1
Nc1cc(F)c(cc1C(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)N1CCC(O)CC1
Cc1cc(O[C@H]2CC[C@@H](CC2)C(C)(C)C)c(CN2CCC(CC2)C(O)=O)c2ccccc12 |r,wU:8.11,wD:5.4,(21.06,-7.5,;21.06,-9.04,;19.74,-9.81,;19.73,-11.36,;18.4,-12.13,;17.07,-11.36,;17.07,-9.81,;15.75,-9.04,;14.41,-9.8,;14.41,-11.34,;15.74,-12.12,;13.08,-9.02,;13.09,-7.48,;11.74,-9.79,;11.74,-8.25,;21.07,-12.13,;21.07,-13.67,;22.41,-14.44,;22.4,-15.98,;23.73,-16.74,;25.07,-15.98,;25.07,-14.43,;23.73,-13.66,;26.4,-16.75,;27.74,-15.98,;26.4,-18.29,;22.4,-11.35,;23.74,-12.12,;25.07,-11.34,;25.06,-9.79,;23.72,-9.03,;22.4,-9.81,)|
CCC([C@H]1CC[C@H](CC1)c1ccnc2ccc(cc12)C(F)(F)F)c1nc2ncc(Cl)cc2[nH]1 |r,wU:6.9,3.2,(5.53,-5.77,;5.53,-7.31,;6.87,-8.07,;6.87,-9.62,;8.2,-10.39,;8.2,-11.94,;6.87,-12.7,;5.53,-11.94,;5.53,-10.39,;6.87,-14.25,;5.52,-15.02,;5.52,-16.57,;6.87,-17.35,;8.21,-16.56,;9.55,-17.33,;10.88,-16.55,;10.87,-15,;9.53,-14.24,;8.21,-15.02,;12.2,-14.22,;13.54,-14.98,;12.19,-12.68,;13.53,-13.44,;8.2,-7.31,;8.2,-5.76,;9.66,-5.28,;10.29,-3.87,;11.82,-3.71,;12.72,-4.96,;14.26,-4.78,;12.09,-6.36,;10.56,-6.53,;9.66,-7.77,)|
COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(F)c1 |r|
COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccccc2)c(F)c1 |r|
COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)c(F)c2)c(F)c1 |r|
COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(C)c(O)c2)c(F)c1 |r|
COc1cc(F)c([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(Cl)s2)c(F)c1 |r|
C[C@]1([C@@H]2C[C@@]2(SC(=N1)N)C(=O)N3CCOCC3)c4cc(ccc4F)/C=C(/c5ccc(cn5)C#N)\F
[H][C@@]12COc3cc(N4CCSCC4)c(F)cc3N1C(=O)O[C@H]2CNC(C)=O |r|
CNCCOc1ccccc1C(C)(C)Nc1nccn(-c2cc(ccc2C)C(=O)NC2CC2)c1=O
Cn1c2ncc(cc2n(CC(=O)N2CCC2)c1=O)-c1ccc(s1)C(F)(F)F
[H][C@]12N(C)c3cccc(OC)c3C(=O)N1CCc1c2[nH]c2cc(OC)ccc12 |r|
Nc1nc(c(F)cc1F)-n1cc(C(O)=O)c(=O)c2cc(F)c([C@H]3C[C@H](O)C3)c(Cl)c12 |r,wU:22.22,wD:24.25,(11.76,-13.75,;13.09,-12.98,;13.09,-11.44,;14.42,-10.67,;15.75,-11.43,;17.08,-10.65,;15.76,-12.96,;14.42,-13.74,;14.43,-15.28,;14.42,-9.13,;15.75,-8.36,;15.75,-6.81,;17.07,-6.03,;18.41,-6.79,;17.07,-4.49,;14.41,-6.05,;14.4,-4.51,;13.08,-6.82,;11.75,-6.06,;10.42,-6.83,;9.09,-6.06,;10.42,-8.37,;9.08,-9.14,;8.68,-10.63,;7.19,-10.23,;5.86,-11,;7.59,-8.74,;11.75,-9.14,;11.75,-10.68,;13.08,-8.37,)|
Nc1nc(c(F)cc1F)-n1cc(C(O)=O)c(=O)c2cc(F)c([C@@H]3C[C@H](O)C3)c(Cl)c12 |r,wU:22.22,24.25,(33.32,-14.27,;34.66,-13.5,;34.65,-11.96,;35.99,-11.19,;37.32,-11.95,;38.65,-11.17,;37.33,-13.49,;35.99,-14.27,;36,-15.81,;35.99,-9.65,;37.32,-8.88,;37.31,-7.33,;38.64,-6.55,;39.98,-7.31,;38.63,-5.01,;35.98,-6.57,;35.97,-5.03,;34.65,-7.34,;33.32,-6.58,;31.99,-7.35,;30.65,-6.58,;31.98,-8.89,;30.65,-9.66,;29.16,-9.26,;28.76,-10.75,;27.42,-11.52,;30.25,-11.15,;33.32,-9.66,;33.32,-11.2,;34.65,-8.89,)|
NC1CN(C1)c1c(F)cc2c(c1Cl)n(cc(C(O)=O)c2=O)-c1nc(N)c(F)cc1F
c1c2c(c(c(c1F)N3CC(C3)O)Cl)N(C=C(C2=O)C(=O)O)c4c(cc(c(n4)N)F)F
COC[C@](CO)(OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(cn2)c(nc(n3)Cl)NC4CCCC4)O)O)P(=O)(O)O
Nc1n[nH]c(=O)c2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
CNC(=O)NC1CCN(CC1)C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC[C@H](C)c1ccccc1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1cnc2[nH]cc(-c3ccncc3)c2c1 |r|
Nc1n[nH]c2cc(ccc12)-c1ccc(=O)n(Cc2ccccc2F)c1
c1cc(cc(c1)Cl)CN2C=C(C=CC2=O)c3ccc4c(c3)[nH]nc4N
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
CC(C)Oc1ccc(Nc2nc(=O)n(CC(C)(C)C(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F
CC(C)Oc1ccc(Nc2nc(=O)n(CCC(O)=O)c(=O)n2Cc2ccc(C)cc2)cc1Cl
Clc1cncc(-c2cc3ccccc3o2)c1N1CCC2(CCNC2=O)CC1
Clc1cncc(-c2cc3ccccc3s2)c1N1CCC2(CCNC2=O)CC1
FC(F)(F)Oc1ccc(cc1)-c1ccc2OCCN(Cc3ncccn3)C(=O)c2c1
COc1ccc(cc1)C(NC(=O)c1cnc(nc1O)-c1cccnn1)c1ccc(OC)cc1
COc1ccccc1CC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(CO)C1 |r|
[H][C@]12OC[C@](O)(CCc3c(F)cnc4ccc(OC)nc34)[C@@]1([H])OC[C@@H]2NCc1cc2OCCOc2cn1 |r|
COc1ccc2cc(oc2c1)C(=O)NCCN(C)C
[H][C@@]12C(=O)CC[C@]11CC[C@@H](C)[C@@]2(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]1C)OC(=O)CSc1ccccc1NC(=O)Cn1cc(CN(C)C)nn1 |r|
CC[C@@H]1C[C@@H](CC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H]1NC(=O)OC(C)(C)C(F)(F)F)Oc4c5cc(c(cc5ccn4)OC)F)C(=O)NS(=O)(=O)C6(CC6)C)C
C[C@H](Oc1cc2cc(F)cc(F)c2nc1N)c1cc(ccc1-n1cccn1)C(O)=O |r|
C[C@@H](C1=C(C=CC(=O)N1)n2cccn2)Oc3cc4cc(ccc4nc3N)F
[2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(F)cn2)c1OC
C[C@H](O)CNC(=O)c1ncc(cc1N)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 |r|
CCCOc1nncc(n1)-c1cnnc(OCCN(C)C)n1
OCc1cc(no1)-c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O
CCC(C)(C)C(O)=O
CNc1nc(NC2CCC(CC2)C(=O)NCc2ccccc2C(F)(F)F)nc(n1)N(C)CCN(C)C |(19.35,-45.17,;18.02,-45.94,;18.02,-47.48,;16.7,-48.25,;16.7,-49.79,;15.37,-50.56,;14.04,-49.79,;12.7,-50.56,;11.37,-49.79,;11.37,-48.26,;12.7,-47.47,;14.03,-48.25,;10.03,-47.49,;10.03,-45.95,;8.7,-48.27,;7.37,-47.5,;6.04,-48.28,;4.7,-47.51,;3.37,-48.28,;3.37,-49.83,;4.7,-50.6,;6.04,-49.83,;7.37,-50.59,;8.14,-49.26,;8.91,-50.58,;7.38,-52.13,;18.03,-50.56,;19.37,-49.79,;19.37,-48.25,;20.7,-50.56,;20.7,-52.1,;22.03,-49.79,;23.37,-50.56,;24.7,-49.79,;26.03,-50.57,;24.7,-48.25,)|
CNc1nc(NC2CCC(CC2)C(=O)NCc2ccccc2C(F)(F)F)nc(n1)N1CCN(C)CC1 |(45.76,-44.82,;44.43,-45.6,;44.44,-47.14,;43.11,-47.91,;43.12,-49.45,;41.78,-50.22,;40.45,-49.45,;39.11,-50.22,;37.79,-49.45,;37.78,-47.91,;39.11,-47.13,;40.45,-47.91,;36.45,-47.15,;36.44,-45.61,;35.12,-47.92,;33.78,-47.16,;32.45,-47.93,;31.11,-47.17,;29.79,-47.94,;29.78,-49.49,;31.12,-50.26,;32.46,-49.48,;33.79,-50.25,;34.55,-48.91,;35.33,-50.24,;33.79,-51.79,;44.45,-50.22,;45.78,-49.45,;45.78,-47.91,;47.11,-50.22,;47.1,-51.76,;48.43,-52.53,;49.77,-51.77,;51.1,-52.55,;49.77,-50.23,;48.44,-49.45,)|
CNc1nc(Nc2ccc(cc2)C(=O)NCc2ccccc2C(F)(F)F)nc(n1)N1CCN(C)CC1
CNc1nc(nc(n1)N1CCN(C)CC1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F
COc1cc-2c(C[C@@H](C(C)C)n3cc(C(O)=O)c(=O)cc-23)cc1OCCCCCCC(O)=O |r|
CCN1C(=O)N(Cc2cnc3NC(=O)Cc3c12)c1c(F)c(OC)cc(OC)c1F
CCN1c2c3cc([nH]c3ncc2CN(C1=O)c4c(c(cc(c4F)OC)OC)F)CN5CCOCC5
C[C@]1(C=CSC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N
Nc1cc(Cc2ccn(n2)-c2ccc(F)cc2)c2nn[nH]c2n1
Nc1cc(Cc2ccn(n2)-c2ccccc2)c2nn[nH]c2n1
Nc1cc(Cc2ccn(n2)-c2ccccn2)c2nn[nH]c2n1
Nc1cc(Cc2ccn(n2)-c2cccc(c2)-c2ccccc2)c2nn[nH]c2n1
Nc1cc(Cc2ccn(Cc3ccccc3)n2)c2nn[nH]c2n1
Nc1cc(Cc2ccn(Cc3ccc4ccccc4c3)n2)c2nn[nH]c2n1
Nc1cc(Cc2ccn(Cc3cccc(c3)-c3ccccc3)n2)c2nn[nH]c2n1
Nc1cc(Cc2ccn(Cc3ccc4cnccc4c3)n2)c2nn[nH]c2n1
Nc1cc(Cc2ccn(Cc3ccc4CNCCc4c3)n2)c2nn[nH]c2n1
Nc1cc(Cc2ccn(Cc3cccc(Cc4ccccc4)c3)n2)c2nn[nH]c2n1
Nc1cc(Cc2ccn(Cc3cccc(Oc4ccccc4)c3)n2)c2nn[nH]c2n1
Nc1cc(Cc2ccn(Cc3cccc(Oc4cccc5CNCc45)c3)n2)c2nn[nH]c2n1
Nc1cc(Cc2ccn(Cc3cccc(O[C@H]4CCNC4)c3)n2)c2nn[nH]c2n1 |r|
Nc1cc(Cc2ccn(Cc3cccc(c3)C3CCNCC3)n2)c2nn[nH]c2n1
Nc1ncc(-c2cc3ccccc3o2)c(N2CCC3(CCNC3=O)CC2)c1Cl
CC(NC(=O)c1[nH]cc(Cc2ccc(nc2)C(F)(F)F)c1C)c1cn[nH]c1
CC(NC(=O)c1[nH]cc(Cc2ccc(nc2)C(F)(F)F)c1C)c1cnn(C)c1
CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(nc1)C(F)(F)F)c1nc[nH]n1
CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(nc1)C(F)(F)F)c1c[nH]cn1
CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(c(c1)C#N)C(F)(F)F)c1nc[nH]n1
ONC(=N)c1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cn2ccccc2n1
COc1cc2CC(CC3(F)CCN(Cc4ccccc4F)CC3)C(=O)c2cc1OC
[H][C@@]12C(=O)CC[C@]11CC[C@@H](C)[C@@]2(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]1C)OC(=O)CSc1nc(N)n(n1)C(=O)c1ccc(C)cc1 |r|
[H][C@@]12C(=O)CC[C@]11CC[C@@H](C)[C@@]2(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]1C)OC(=O)CSCCN(CC)CC |r|
[H][C@@]12C(=O)CC[C@]11CC[C@@H](C)[C@@]2(C)[C@@H](C[C@@](C)(CC)[C@@H](O)[C@@H]1C)OC(=O)CSc1nnc(N)[nH]1
CCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1cccnc1
COc1ncc-2cc1NS(=O)(=O)c1cc(c(F)cc1F)C(=O)NCc1cncc(c1)-c1ccnc3ccc-2cc13
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1ccnc3ccc-2cc13
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCC1CCN(CC1)c1ccnc3ccc-2cc13
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cccc(c1)-c1ncnc3ccc-2cc13
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1ncnc3ccc-2cc13
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCCn1cc(cn1)-c1cnc3ccc-2nn13
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1cnc3ccc-2cn13
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCC1CCN(CC1)c1ncnc3ccc-2cc13
COc1ncc-2cc1NS(=O)(=O)c1cc(c(F)cc1F)C(=O)NCc1cncc(c1)-c1ccnc3ccc-2nc13
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cccc(Cc3cnc4sc-2nn34)c1
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1ncnc3sc-2cc13
CC(C)(C(=O)N[C@@H]1CC[C@@]2([C@H]1CCc3c2ccc(c3)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c4ccc(cc4)F)O
[H][C@@]12CCc3cc(ccc3[C@@]1(CCN2N[C@@H]1CC[C@H](C[C@@H]1C)C(O)=O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r|
c1cc(ccc1CN2CCCc3c2ccc(c3)C(=O)N)C(=O)NO
CCC(C)(NC(=O)c1cc(F)cc2cc(oc12)-c1ccc(Cl)cc1)C(O)=O
CC(C)(NC(=O)c1cc(F)cc2cc(oc12)-c1ccc(Cl)cc1)C(O)=O
Cn1cc(nc1C1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)-c1ccc(F)c(c1)C(F)(F)F
NC(=O)c1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F
OC(=O)c1cc(F)c2nc(sc2c1)N1CCC2(CC(=C2)c2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1 |c:20,(63.68,-24.41,;63.98,-25.92,;65.43,-26.42,;62.82,-26.93,;63.11,-28.45,;61.95,-29.46,;62.24,-30.97,;60.5,-28.95,;59.15,-29.7,;58.03,-28.65,;58.68,-27.25,;60.21,-27.44,;61.37,-26.44,;56.52,-28.94,;56.01,-30.39,;54.51,-30.68,;53.5,-29.52,;52.49,-28.35,;51.33,-29.37,;52.34,-30.53,;49.79,-29.26,;49.31,-27.8,;47.77,-27.8,;47.3,-29.27,;48.56,-30.17,;48.56,-31.71,;47.23,-32.48,;45.9,-31.71,;47.23,-34.02,;48.56,-34.8,;49.9,-34.02,;49.9,-32.47,;51.23,-31.7,;50.21,-26.55,;51.61,-25.92,;50.36,-25.02,;54,-28.06,;55.51,-27.78,)|
OC(=O)c1cc(F)c2nc(sc2c1)N1CCC2(CC(=C2)c2c(onc2-c2ccccc2C(F)(F)F)C2CC2)CC1 |c:20|
OC(=O)c1cc(F)c2nc(sc2c1)N1CCC2(CC(=C2)c2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)CC1 |c:20|
OC(=O)c1cc(F)c2nc(sc2c1)N1CCC2(CC(=C2)c2c(onc2-c2c(Cl)cncc2Cl)C2CC2)CC1 |c:20,(62.93,-39.17,;63.22,-40.68,;64.68,-41.18,;62.06,-41.69,;62.36,-43.21,;61.2,-44.21,;61.49,-45.72,;59.75,-43.71,;58.4,-44.45,;57.28,-43.4,;57.93,-42.01,;59.46,-42.2,;60.61,-41.19,;55.77,-43.69,;55.26,-45.14,;53.76,-45.43,;52.75,-44.27,;51.74,-43.11,;50.57,-44.12,;51.59,-45.29,;49.04,-44.02,;48.56,-42.55,;47.02,-42.56,;46.54,-44.02,;47.8,-44.93,;47.81,-46.47,;46.48,-47.24,;45.15,-46.47,;46.48,-48.78,;47.81,-49.55,;49.15,-48.78,;49.14,-47.23,;50.48,-46.46,;49.45,-41.3,;50.86,-40.67,;49.61,-39.77,;53.25,-42.82,;54.76,-42.53,)|
OC(=O)c1ccc(nc1)N1CCC2(CC(=C2)c2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1 |c:15,(83.26,-41.06,;82.76,-42.51,;83.77,-43.67,;81.25,-42.8,;80.74,-44.26,;79.23,-44.55,;78.23,-43.38,;78.72,-41.93,;80.23,-41.63,;76.71,-43.66,;76.21,-45.11,;74.71,-45.4,;73.7,-44.24,;72.68,-43.08,;71.52,-44.09,;72.53,-45.26,;69.98,-43.99,;69.5,-42.52,;67.96,-42.53,;67.49,-43.99,;68.75,-44.9,;68.76,-46.44,;67.43,-47.21,;66.09,-46.44,;67.42,-48.75,;68.76,-49.52,;70.1,-48.75,;70.09,-47.2,;71.42,-46.43,;70.4,-41.28,;71.8,-40.65,;70.56,-39.74,;74.2,-42.79,;75.71,-42.5,)|
OC(=O)c1ccc(cn1)N1CCC2(CC(=C2)c2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1 |c:15,(18.17,-3.86,;17.66,-5.32,;18.67,-6.48,;16.15,-5.61,;15.64,-7.07,;14.13,-7.36,;13.13,-6.18,;13.63,-4.74,;15.14,-4.44,;11.62,-6.47,;11.11,-7.92,;9.61,-8.21,;8.6,-7.05,;7.59,-5.89,;6.42,-6.9,;7.44,-8.07,;4.89,-6.8,;4.41,-5.33,;2.87,-5.34,;2.4,-6.8,;3.65,-7.71,;3.66,-9.25,;2.33,-10.02,;1,-9.25,;2.33,-11.56,;3.66,-12.33,;5,-11.56,;4.99,-10.01,;6.33,-9.24,;5.3,-4.08,;6.71,-3.45,;5.46,-2.55,;9.1,-5.6,;10.61,-5.31,)|
OC(=O)c1ccc2cc(ccc2n1)N1CCC2(CC(=C2)c2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1 |c:20,(64.45,-5.17,;63.95,-6.63,;64.97,-7.78,;62.44,-6.93,;61.95,-8.39,;60.44,-8.69,;59.43,-7.53,;57.92,-7.82,;56.92,-6.65,;57.41,-5.2,;58.92,-4.91,;59.93,-6.08,;61.43,-5.78,;55.4,-6.94,;54.9,-8.39,;53.4,-8.68,;52.38,-7.52,;51.37,-6.36,;50.21,-7.37,;51.22,-8.53,;48.67,-7.26,;48.19,-5.8,;46.65,-5.8,;46.18,-7.27,;47.44,-8.17,;47.44,-9.71,;46.11,-10.48,;44.78,-9.72,;46.11,-12.03,;47.45,-12.8,;48.78,-12.03,;48.78,-10.48,;50.11,-9.7,;49.09,-4.55,;50.49,-3.92,;49.24,-3.02,;52.88,-6.07,;54.4,-5.78,)|
OC(=O)c1ccc2cc(ccc2n1)N1CCC2(CC(=C2)c2c(onc2-c2c(Cl)cc(F)cc2Cl)C2CC2)CC1 |c:20,(85.71,-10.01,;85.22,-11.47,;86.23,-12.63,;83.71,-11.78,;83.21,-13.24,;81.7,-13.54,;80.69,-12.38,;79.18,-12.67,;78.18,-11.5,;78.67,-10.05,;80.18,-9.76,;81.19,-10.92,;82.69,-10.62,;76.67,-11.79,;76.16,-13.24,;74.66,-13.53,;73.65,-12.37,;72.63,-11.2,;71.47,-12.21,;72.48,-13.38,;69.93,-12.11,;69.45,-10.65,;67.91,-10.65,;67.44,-12.12,;68.7,-13.02,;68.71,-14.56,;67.38,-15.33,;66.04,-14.56,;67.38,-16.87,;68.71,-17.65,;68.71,-19.19,;70.05,-16.87,;70.04,-15.32,;71.37,-14.55,;70.35,-9.4,;71.76,-8.77,;70.51,-7.87,;74.15,-10.91,;75.66,-10.62,)|
OC(=O)c1ccc2cc(ccc2n1)N1CCC2(CC(=C2)c2c(onc2-c2c(Cl)cncc2Cl)C2CC2)CC1 |c:20,(20.66,-21.73,;20.16,-23.19,;21.18,-24.34,;18.65,-23.49,;18.16,-24.95,;16.65,-25.25,;15.64,-24.09,;14.13,-24.38,;13.12,-23.21,;13.62,-21.76,;15.13,-21.47,;16.14,-22.64,;17.64,-22.34,;11.61,-23.5,;11.11,-24.95,;9.6,-25.24,;8.59,-24.08,;7.58,-22.92,;6.42,-23.93,;7.43,-25.09,;4.88,-23.82,;4.4,-22.36,;2.86,-22.36,;2.39,-23.83,;3.65,-24.73,;3.65,-26.27,;2.32,-27.04,;.99,-26.27,;2.32,-28.59,;3.66,-29.36,;4.99,-28.59,;4.99,-27.04,;6.32,-26.26,;5.3,-21.11,;6.7,-20.48,;5.45,-19.58,;9.09,-22.63,;10.61,-22.34,)|
OC(=O)c1cc(c2cc(ccc2n1)N1CCC2(CC(=C2)c2c(onc2-c2c(Cl)cncc2Cl)C2CC2)CC1)C(F)(F)F |c:20,(46.96,-23.25,;46.47,-24.71,;47.49,-25.87,;44.96,-25.01,;44.46,-26.48,;42.95,-26.78,;41.94,-25.62,;40.43,-25.91,;39.43,-24.74,;39.93,-23.29,;41.43,-22.99,;42.44,-24.16,;43.95,-23.86,;37.92,-25.03,;37.41,-26.48,;35.91,-26.76,;34.9,-25.6,;33.89,-24.44,;32.72,-25.45,;33.74,-26.62,;31.19,-25.35,;30.71,-23.88,;29.16,-23.89,;28.69,-25.36,;29.95,-26.26,;29.96,-27.8,;28.63,-28.57,;27.29,-27.8,;28.63,-30.11,;29.96,-30.88,;31.3,-30.11,;31.29,-28.56,;32.62,-27.79,;31.6,-22.64,;33.01,-22.01,;31.76,-21.1,;35.4,-24.15,;36.91,-23.86,;42.45,-28.23,;43.47,-29.39,;40.97,-27.83,;41.68,-29.57,)|
C[C@@H]1Cc2c3ccccc3[nH]c2[C@H](N1CC(CO)(F)F)c4c(cc(cc4F)NC5CN(C5)CCCF)F
C[C@@H]1Cc2c([nH]c3ccc(F)cc23)[C@H](N1CC(F)(F)CO)c1c(F)cc(NC2CN(CCCF)C2)cc1F |r|
C[C@H](N1C2CCC1CC(C2)C(O)=O)c1ccc2ccc(O[C@H]3CC[C@H](CC3)C(F)(F)F)c(c2c1)C(F)(F)F |r,wU:21.22,24.29,1.0,(69.55,-51.11,;69.5,-49.57,;70.79,-48.72,;72.16,-49.41,;72.75,-48.34,;72.21,-47.11,;70.69,-47.18,;71.98,-46.34,;73.36,-47.03,;73.44,-48.57,;74.65,-46.19,;74.56,-44.65,;76.02,-46.88,;68.17,-48.8,;68.16,-47.25,;66.82,-46.49,;65.5,-47.27,;64.16,-46.5,;62.83,-47.27,;62.83,-48.82,;61.5,-49.59,;60.16,-48.82,;58.84,-49.58,;57.5,-48.8,;57.51,-47.26,;58.85,-46.5,;60.17,-47.27,;56.18,-46.48,;56.19,-44.94,;54.84,-47.25,;54.83,-45.71,;64.17,-49.59,;65.5,-48.81,;66.84,-49.58,;64.17,-51.13,;62.84,-51.9,;65.51,-51.9,;64.16,-52.66,)|
CC(C)N1Cc2cc(ncc2C2=CN=C(NCc3c4CCOc4ccc3F)N3C=NC(C23)C1=O)C(F)(F)F |c:31,t:12,14|
FC(F)CN1Cc2cc(ncc2C2=CN=C(NCc3c4CCOc4ccc3F)N3C=NC(C23)C1=O)C(F)(F)F |c:32,t:13,15|
CC(F)(F)CN1Cc2cc(ncc2C2=CN=C(NCc3c4CCOc4ccc3F)N3C=NC(C23)C1=O)C(F)(F)F |c:33,t:14,16|
COc1cc2CCN3C[C@@H](CC(C)C)[C@H](O)C[C@@H]3c2cc1OC |r|
COc1cc2C3CC(O)C(CC(C)C)CN3CCc2cc1OCC(F)(F)F
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3cccc(c3)C(F)(F)F)n2)nc1
Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(F)c1
Fc1cccc(c1)C(=O)C(Cn1ccnc1)NC(=O)c1ccc(s1)-c1ccc(Cl)cc1
Cc1ccc(cc1)C(=O)C(Cn1ccnc1)NC(=O)c1ccc(s1)-c1ccc(Cl)cc1
CS(=O)(=O)c1nccc(n1)-c1c(nc2sccn12)-c1cccc(OCc2ccccc2)c1
C(Oc1cccc(c1)-c1nc2sccn2c1-c1ccncn1)c1ccccc1
Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc2CCSCc12
CCS(=O)(=O)c1ccc(cc1)[C@H](C(=O)Nc2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O)NC(=O)C
CC(=O)N1Cc2cc(ccc2[C@@H]1C(=O)Nc3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)C
[#6]-[#8]-c1c(-[#8]-[#6]-c2ccc(F)cc2)cc2oc3cc4-[#8]C([#6])([#6])[#6]=[#6]-c4c(-[#8]-[#6]\[#6]=[#6]\[#6](-[#8])=O)c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] |c:24|
CCc1nc(no1)-c1ccc2[C@@H](CCc2c1)NC(=O)c1cnn(C)c1 |r|
C[C@@H](c1ccccc1)NC2=CC(=O)N(C(=O)N2)C(C)C
CCN(C(=O)C1CC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1C)N1CCN(CC2CC2)CC1
Cc1c(nnn1-c1ccccn1)C(=O)Nc1ccc2COB(O)c2c1
Cc1cn(c(n1)-c1ccccc1)-c1ccnc(N[C@@H]2CCN(C2)C(=O)c2nccs2)n1 |r|
O=C(N1CC[C@H](C1)Nc1nccc(n1)-n1cc(nc1-c1ccccc1)C1CC1)c1nccs1 |r|
Clc1cccc(c1)-c1nc(cn1-c1ccnc(N[C@@H]2CCN(C2)C(=O)c2nccs2)n1)C1CC1 |r|
C[C@@H](C[C@]1(NC(=O)NC1=O)C1CC1)C(=O)N1CCN([C@@H](C)C1)c1ccc(F)c(F)c1 |r|
C[C@H]1CN(CCN1c1ccc(Cl)c(Cl)c1)C(=O)CC[C@@]1(C)NC(=O)NC1=O |r|
C[C@H]1CN(CCN1c2cc(cc(c2)F)F)C(=O)CC[C@@]3(C(=O)NC(=O)N3)C4CC4
CCn1c(nc2c(N[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(C)nc1 |r|
COc1ccc(cc1)-c1c(Nc2ccccn2)[nH]c2c(c(nn2c1=O)-c1ccccc1)C1=CCCCC1 |t:36|
COc1ccc(cc1F)-c1ccc(CO[C@H]2C[C@H](C2)N=C=S)nc1 |r,wU:15.15,17.20,(-9.61,.5,;-8.28,-.27,;-6.94,.5,;-5.61,-.27,;-4.28,.5,;-4.28,2.04,;-5.61,2.81,;-6.94,2.04,;-8.28,2.81,;-2.94,2.81,;-1.61,2.04,;-.28,2.81,;-.28,4.35,;1.06,5.12,;2.39,4.35,;3.72,5.12,;4.12,6.61,;5.61,6.21,;5.21,4.73,;6.94,6.98,;8.28,7.75,;9.61,8.52,;-1.61,5.12,;-2.94,4.35,)|
Cn1c2c3CN(CC(F)(F)F)C(=O)[C@H](CC(=O)N4CCC(CC4)N4CCc5ccccc5NC4=O)Cc3cc(Cl)c2[nH]c1=O |r|
FC(F)(F)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)N3CCc4ccccc4NC3=O)C1=O)cc(Cl)c1[nH]c(=O)n(CC(F)(F)F)c21 |r|
FC(F)(F)CN1Cc2c3c(NC(=O)C3(F)F)c(Cl)cc2C[C@@H](CC(=O)N2CCC(CC2)n2c3cccnc3[nH]c2=O)C1=O |r|
FC(F)(F)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)N3CCc4ccccc4NC3=O)C1=O)cc(Cl)c1[nH]ncc21 |r|
C[C@@H](c1ccccc1)n2c(cc(n2)C(=O)NC)C(=O)NC3CCC(CC3)O
C[C@@H](c1ccccc1)c2c(cc(o2)C(=O)NC)C(=O)NC3CCC(CC3)O
CCOC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)[C@@H](N)CC(C)C
[H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)\C=C\C=C\C=C\[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]2([H])CC[C@]3(C)[C@H](O)CC[C@@]3([H])[C@]12[H] |r,t:18,36|
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)\C=C\C=C\C=C\[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]2([H])CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]12[H] |r,t:18,36|
[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)\C=C\C=C\C=C\[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]2([H])CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]12[H] |r,t:18,36|
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=CC(=O)CC[C@]34C)C/C=C\C[C@@H]5CC6=CC(=O)CC[C@@]6([C@@H]7[C@@H]5[C@@H]8CC[C@@H]([C@]8(CC7)C)O)C
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](C\C=C\C[C@@H]2CC3=CC(=O)CC[C@]3(C)[C@@]3([H])CC[C@]4(C)[C@@H](O)CC[C@@]4([H])[C@]23[H])CC2=CC(=O)CC[C@]12C |r,t:23,50|
[H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)cc(F)c1F |r|
FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4=CCCOCC4)n3c2c1 |t:20|
Cc1nc2n(ncc2cc1Nc1c(F)cccc1Cl)-c1csc(c1)C(=O)NC1COC1
NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
c1cc(c(cc1N/C(=N\O)/c2c(non2)NCCNS(=O)(=O)N)Br)F
[H][C@@]12C[C@@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)Oc1ccnc2ccccc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@@H]2C(CC)NC(=O)c1ccc(Cl)cc1)Oc1ccnc2ccccc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@@H]2C(CC)NC(=O)c1ccc(Cl)cc1)Oc1ccnc2ccc(F)cc12 |r|
[H][C@@]12C[C@@H](C[C@]1([H])[C@@H]2C(CC)NC(=O)c1ccc(Cl)cc1)Oc1ccnc2ccc(F)cc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@@H]2CNC(=O)c1ccc(Cl)cc1)Oc1ccnc2ccc(F)cc12 |r|
[H][C@@]12C[C@@H](C[C@]1([H])[C@H]2CNC(=O)c1ccc(Cl)cc1)Oc1ccnc2ccc(F)cc12 |r|
[H][C@@]12C[C@@H](C[C@]1([H])[C@@H]2CNC(=O)c1ccc(Cl)cc1)Oc1ccnc2ccc(F)cc12 |r|
[H][C@@]12C[C@@H](C[C@]1([H])[C@@H]2C(CC)NC(=O)c1ccc(Cl)cc1)Oc1ccnc2cc(F)ccc12 |r|
[H][C@@]12C[C@@H](C[C@]1([H])[C@@H]2C(CC)NC(=O)c1ccc(Cl)cc1)Oc1ccnc2cccnc12 |r|
[H][C@@]12C[C@@H](C[C@]1([H])[C@@H]2C(CC)NC(=O)c1ccc(Cl)cc1)Oc1ccnc2ccncc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(C)NC(=O)c1ccc(cc1)C#N)Oc1ncnc2cc(F)ccc12 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)NC(=O)c1cncc(F)c1 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2cccc(F)c2c1=O |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cc(nn1)C1CC1 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc(n1)C1CC1 |r|
[H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2cc(F)ccc12 |r|
Fc1ccc(cc1)C1(Cn2cncn2)COC(=N1)c1ccc(cc1)-c1ccccc1F |c:18|
Fc1ccc(cc1)C1(Cn2cncn2)COC(=N1)c1ccc(cc1)-c1cccc(F)c1 |c:18|
[H][C@@]12CC[C@H](N1C(=O)O[C@@H]2c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cnc1-c1cc(ccc1OC)-c1ccc(cc1C)C(O)=O)C(F)(F)F |r|
COc1ccc(cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)[C@H]1C[C@@H](C1)C(O)=O |r,wU:43.50,17.25,18.26,wD:41.45,14.15,(-4.15,6.78,;-2.82,7.55,;-1.49,6.78,;-.15,7.55,;1.18,6.78,;1.18,5.24,;-.15,4.47,;-1.49,5.24,;-2.82,4.47,;-4.15,5.24,;-5.49,4.47,;-5.49,2.93,;-4.15,2.16,;-2.82,2.93,;.05,1.27,;1.52,1.74,;2.42,.5,;1.52,-.75,;1.52,-2.29,;.05,-2.76,;-.85,-1.52,;-2.39,-1.52,;.05,-.27,;3,-2.69,;4.09,-1.6,;5.58,-2,;5.98,-3.48,;4.89,-4.57,;3.4,-4.17,;5.29,-6.06,;4.2,-7.15,;6.78,-6.46,;5.69,-7.55,;6.67,-.91,;8.16,-1.3,;6.27,.58,;7.76,.18,;-6.82,2.16,;-8.16,2.93,;-6.82,.62,;-8.16,1.39,;2.51,4.47,;2.91,2.98,;4.4,3.38,;4,4.87,;5.73,2.61,;7.07,3.38,;5.73,1.07,)|
COCCNc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1Cc1ccccn1 |(36.85,-2.98,;36.09,-4.32,;34.55,-4.33,;33.78,-5.66,;32.24,-5.67,;31.48,-7,;32.11,-8.4,;30.97,-9.43,;30.98,-10.98,;29.65,-11.75,;28.31,-10.99,;26.98,-11.77,;25.65,-10.99,;24.31,-11.76,;22.91,-11.14,;22.59,-9.64,;21.88,-12.29,;22.65,-13.62,;24.16,-13.3,;25.3,-14.33,;25.65,-9.45,;24.31,-8.68,;24.31,-7.14,;26.98,-8.68,;28.31,-9.44,;29.64,-8.67,;29.95,-7.17,;28.92,-6.03,;29.39,-4.56,;30.89,-4.25,;31.37,-2.78,;30.33,-1.64,;28.82,-1.97,;28.35,-3.44,)|
COC[C@@H](C)n1c(nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c12)C1CCOCC1 |r,wD:3.3,(18.9,-27.84,;18.43,-29.3,;19.46,-30.45,;18.99,-31.91,;17.49,-32.24,;20.03,-33.05,;21.55,-32.89,;22.18,-34.29,;21.04,-35.32,;21.06,-36.86,;19.72,-37.64,;18.39,-36.87,;17.06,-37.65,;15.72,-36.88,;14.39,-37.65,;12.99,-37.03,;12.67,-35.52,;11.95,-38.17,;12.72,-39.5,;14.23,-39.18,;15.38,-40.21,;15.72,-35.33,;14.39,-34.56,;14.39,-33.02,;17.05,-34.56,;18.39,-35.33,;19.71,-34.55,;22.32,-31.55,;23.85,-31.54,;24.62,-30.22,;23.85,-28.88,;22.31,-28.88,;21.53,-30.22,)|
COc1cc2c3n(CC4CCOCC4)c(nc3cnc2cc1-c1c(C)noc1C)N(C)C |(3.33,-45.38,;3.33,-46.92,;4.66,-47.69,;5.99,-46.92,;7.33,-47.69,;8.65,-46.91,;8.97,-45.41,;7.93,-44.27,;8.41,-42.81,;9.91,-42.49,;10.38,-41.03,;9.35,-39.89,;7.84,-40.21,;7.37,-41.68,;10.49,-45.25,;11.12,-46.65,;9.98,-47.68,;10,-49.22,;8.66,-50,;7.33,-49.23,;6,-50.01,;4.66,-49.24,;3.33,-50.01,;1.93,-49.39,;1.61,-47.88,;.89,-50.53,;1.66,-51.86,;3.17,-51.55,;4.32,-52.57,;11.26,-43.91,;12.8,-43.91,;11.04,-42.25,)|
COCCNc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1[C@H](C)c1ccccn1 |r,wD:27.31,(40.22,-48.31,;39.45,-46.98,;37.91,-46.98,;37.14,-45.65,;35.6,-45.65,;34.83,-46.99,;35.46,-48.39,;34.32,-49.42,;34.34,-50.97,;33,-51.74,;31.67,-50.97,;30.33,-51.75,;29,-50.98,;27.66,-51.75,;26.26,-51.13,;25.94,-49.62,;25.23,-52.27,;26,-53.61,;27.51,-53.29,;28.65,-54.32,;29,-49.44,;27.67,-48.67,;27.67,-47.13,;30.33,-48.67,;31.67,-49.43,;32.99,-48.66,;33.31,-47.16,;32.27,-46.02,;30.77,-46.34,;32.74,-44.55,;34.25,-44.23,;34.72,-42.77,;33.68,-41.63,;32.17,-41.96,;31.71,-43.42,)|
CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|
NC(=O)c1c([nH]c2c(cnn12)C1CCN(CC1)C(=O)C=C)-c1ccc(Oc2ccccc2)cc1
CC#CC(=O)N1CCC(CC1)c1cnn2c(C(N)=O)c([nH]c12)-c1ccc(Oc2ccccc2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)c(C)cn(-c2c(Cl)cccc2Cl)c3=O)cc1 |(28.51,-2.72,;29.85,-3.48,;29.85,-5.02,;31.18,-5.79,;32.51,-5.02,;32.51,-3.48,;31.18,-2.7,;33.85,-5.8,;33.84,-7.34,;35.17,-8.11,;36.51,-7.34,;37.84,-8.11,;39.18,-7.34,;39.17,-5.81,;40.5,-5.03,;41.84,-5.8,;41.85,-7.35,;40.51,-8.11,;43.18,-8.11,;43.19,-9.65,;44.52,-7.33,;44.51,-5.78,;45.83,-5.01,;45.81,-3.48,;44.47,-2.73,;47.13,-2.7,;48.47,-3.45,;48.48,-4.99,;47.16,-5.77,;47.17,-7.3,;43.17,-5.03,;43.15,-3.49,;36.51,-5.79,;35.18,-5.02,)|
CCC1(O)CCc2ccc(nc12)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12
Fc1cccc(c1)S(=O)(=O)n1ccc2c(nc3ccccc3c12)N1CCNCC1
COc1cc2ncnc(-c3c(-c4ccccc4)n(Cc4ccccc4Br)c4ccccc34)c2cc1OCCCN1CCOCC1 |(8.65,-37.69,;9.99,-38.46,;11.32,-37.69,;12.65,-38.46,;13.98,-37.7,;15.32,-38.47,;16.67,-37.7,;16.67,-36.15,;15.33,-35.36,;15.33,-33.82,;16.57,-32.92,;18.03,-33.4,;18.34,-34.91,;19.81,-35.38,;20.95,-34.35,;20.63,-32.84,;19.16,-32.37,;16.09,-31.46,;17,-30.21,;16.38,-28.81,;14.85,-28.65,;14.23,-27.25,;15.13,-26,;16.67,-26.16,;17.29,-27.57,;18.82,-27.74,;14.56,-31.45,;13.53,-30.3,;12.02,-30.62,;11.54,-32.1,;12.57,-33.24,;14.08,-32.92,;13.99,-36.14,;12.65,-35.38,;11.32,-36.15,;9.99,-35.38,;8.65,-36.15,;7.32,-35.38,;5.99,-36.15,;4.65,-35.38,;4.66,-33.84,;3.33,-33.07,;1.99,-33.84,;1.99,-35.38,;3.33,-36.16,)|
COc1ccc(cc1OC(C(C)C)C(=O)NO)N(C)c1nc(C)nc2ccccc12
CN(C[C@@H]1Cc2c(CN1)cccc2NC1CCNCC1)[C@H]1CCCc2cccnc12 |r|
CN(C[C@H]1Cc2c(CN1)cccc2N[C@H]1CC[C@H](N)CC1)[C@H]1CCCc2cccnc12 |r,wU:3.2,17.19,wD:21.23,14.15,(6.81,-26.81,;5.48,-26.03,;4.14,-26.8,;4.14,-28.34,;5.47,-29.11,;5.46,-30.65,;4.12,-31.41,;2.79,-30.64,;2.8,-29.1,;4.11,-32.95,;5.44,-33.73,;6.78,-32.96,;6.78,-31.42,;8.12,-30.66,;9.45,-31.43,;9.45,-32.97,;10.77,-33.74,;12.11,-32.98,;13.44,-33.76,;12.12,-31.44,;10.79,-30.66,;5.48,-24.49,;6.83,-23.72,;6.83,-22.17,;5.49,-21.38,;4.15,-22.16,;2.81,-21.4,;1.48,-22.17,;1.48,-23.72,;2.81,-24.49,;4.14,-23.72,)|
CN(C[C@H]1Cc2c(CN1)cccc2N(C)C1CCN(C)CC1)[C@H]1CCCc2cccnc12 |r|
CN(C)C1CCN(CC1)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 |r|
CN(C[C@@H]1Cc2c(CN1)cccc2NN1CCN(C)CC1)[C@H]1CCCc2cccnc12 |r|
[H][C@@]12CN(C)C[C@]1([H])CN(C2)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 |r|
CN(C[C@H]1Cc2c(CN1)cccc2NC1CCNCC1)[C@H]1CCCc2cccnc12 |r|
CN(C[C@H]1Cc2c(CN1)cccc2N1CCC(N)CC1)[C@H]1CCCc2cccnc12 |r|
[H][C@@]12CNC[C@]1([H])CN(C2)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 |r|
[H][C@]12CCN(C)[C@@]1([H])CN(C2)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 |r|
[H][C@@]12CCN(C)[C@]1([H])CN(C2)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 |r|
CN(C)[C@@H]1CCN(C1)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 |r|
CN(C)[C@H]1CCN(C1)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12 |r|
OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)[N+]([O-])=O
C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2CCO[C@@H]3CCC[C@@H]23)CC1 |r,wU:4.4,32.36,wD:1.0,36.39,(7.09,-3.69,;5.6,-3.29,;5.21,-1.81,;3.72,-1.41,;2.63,-2.5,;1.14,-2.1,;.74,-.61,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.19,.64,;3.96,-.7,;5.5,-.7,;6.27,.64,;5.5,1.97,;5.97,3.43,;4.73,4.34,;3.48,3.43,;3.96,1.97,;3.03,-3.98,;4.52,-4.38,)|
CCOc1ccc(nc1)-c1nnc([C@H]2C[C@@H](C2)NC(=O)c2cccc3nccnc23)n1-c1ccccc1F |r,wU:15.18,wD:13.13,(1.18,-57.78,;2.08,-56.54,;3.59,-56.7,;4.49,-55.47,;6.01,-55.63,;6.9,-54.39,;6.29,-53.01,;4.77,-52.84,;3.87,-54.07,;7.18,-51.78,;6.71,-50.31,;7.95,-49.39,;9.21,-50.31,;10.68,-49.82,;12.05,-50.53,;12.76,-49.16,;11.38,-48.45,;14.23,-48.68,;14.56,-47.17,;13.41,-46.13,;16.03,-46.68,;16.34,-45.17,;17.81,-44.69,;18.97,-45.72,;18.65,-47.24,;19.79,-48.27,;19.48,-49.77,;18,-50.26,;16.86,-49.22,;17.18,-47.72,;8.73,-51.78,;9.63,-53.02,;9,-54.41,;9.9,-55.64,;11.41,-55.48,;12.03,-54.08,;11.13,-52.85,;11.75,-51.45,)|
C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccsn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r|
C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r|
C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccnc(F)c3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O |r|
C[C@@H]1CC2C(Nc3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(cc1F)-c1ccc(cc1)C(O)=O |r|
Fc1cc(cc(F)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1)-c1ccncc1
FC(F)(F)c1cccc2nc3C(=O)N(CC4CCC4)CCn3c12
C[C@H](C(=O)N1CC2(C1)CC(C2)F)NC3=Nc4c(cnn4C5CCCC5)C(=O)N3
Fc1cnc2OCC3(CC3)NC(=O)c3cnn4ccc(nc34)N3CCOC[C@@H]3c2c1 |r|
C[C@@H]1CCc2ncc(F)cc2[C@H]2CCCN2c2ccn3ncc(C(=O)N1)c3n2
C[C@H]1CNC(=O)c2cnn3c2nc(cc3)N[C@@H](c4cc(ccc4O1)F)C
C[C@@H](OC(=O)Nc1c(C)noc1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1
CN(CC1CCC1)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1 |r|
CCCN(C)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1 |r|
[H][C@]1(CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCc2cn(CCCNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)CCC(=O)NCCCCCC(=O)N(CCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)Cc3cccc(Cl)c3)nn2)C(C)C)cc1)C(C)C)[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1 |r|
CN(C)C1=NC(=O)N(c2c1ccc(c2)Cl)c3ccccc3
CN(C)C1=NC(=O)N(c2c1ccc(c2)Cl)c3cccnc3
CCN(C)c1nc(=O)n(-c2ccccc2)c2cc(Cl)ccc12
CCN(C)c1nc(=O)n(-c2cccnc2)c2cc(Cl)ccc12
CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1
COc1cc(ccc1Nc1nc(O[C@H]2CCOC(C)(C)C2)c2cc[nH]c2n1)N1CCN(CC1)C1COC1 |r|
CCc1cccc(CC)c1NC(=O)c1ccn(c1)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCN(C)CC2)nc2[nH]ccc12
CCc1cccc(CC)c1NC(=O)c1cc(-c2nc(Nc3ccc(cc3OC)N3CCC(CC3)N3CCN(C)CC3)nc3[nH]ccc23)n(C)n1
CCc1cccc(CC)c1NC(=O)c1ccn(c1)-c1nc(Nc2ccc(cc2OC)N2CCC(O)(CC2)C(=O)N2CCN(C)CC2)nc2[nH]ccc12
CCc1cccc(CC)c1NC(=O)c1cc(-c2nc(Nc3ccc(cc3OC)N3CCC(O)(CC3)C(=O)N3CCN(C)CC3)nc3[nH]ccc23)n(C)n1
CCc1cccc(CC)c1NC(=O)c1ccn(c1)-c1nc(Nc2ccc(cc2OC)N2CCC(O)(CN3CCN(C)CC3)CC2)nc2[nH]ccc12
CCc1cccc(CC)c1NC(=O)c1cc(-c2nc(Nc3ccc(cc3OC)N3CCC(O)(CN4CCN(C)CC4)CC3)nc3[nH]ccc23)n(C)n1
CCc1cccc(CC)c1NC(=O)c1ccn(c1)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CCN(C)CC2)nc2[nH]ccc12
CCc1cccc(CC)c1NC(=O)c1cc(-c2nc(Nc3ccc(cc3OC)N3CCC(CC3)C(=O)N3CCN(C)CC3)nc3[nH]ccc23)n(C)n1
CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCN(C)CC2)nc2[nH]ccc12
CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(O)(CC2)C(=O)N2CCN(C)CC2)nc2[nH]ccc12
CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(O)(CN3CCN(C)CC3)CC2)nc2[nH]ccc12
CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CCN(C)CC2)nc2[nH]ccc12
CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N(C)CCN(C)C)nc2[nH]ccc12
CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CC3(CN(C)C3)C2)nc2[nH]ccc12
CC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,t:1|
Cc1ccc(c2c1[nH]c(c2)C(=O)N[C@@H]3CCC[C@@H](C3)N4CC[C@@H](C4)N(C)S(=O)(=O)C)F
Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1ccc2NC(=O)CC3(CCOCC3)Oc2c1
Cc1ccc(NC(=O)c2cc(cnn2)C(F)(F)F)cc1-c1ccc2NC(=O)CC3(CCOCC3)Oc2c1
COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OC)c(OC)cc3NC(=O)c3cc(=O)c4cc(Br)ccc4o3)Cc2cc1OC
[H]/N=C(/NCC)\NC(=O)Nc1c(cccc1CC)CC
C[C@]1(Cn2c(cnc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:10|
C[C@]1(Cn2c(cnc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:10|
C[C@]1(Cn2c(cnc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:10|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)Cn2c(cnc2C(N)=N1)C#N |r,c:30|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)Cn2nc(cc2C(N)=N1)C#N |r,c:30|
CCc1c[nH]c2ncc(cc12)-c1ccc(N)c(c1)C(=O)N(C)C
CCc1c[nH]c2ncc(cc12)-c1cccc(c1)C(=O)N(C)C
CCc1c[nH]c2ncc(cc12)-c1ccc(N)c(n1)C(=O)N(C)C
CCc1c[nH]c2ncc(cc12)-c1ccc(N)c(C(=O)N(C)C)c1F
CCc1c(Cl)[nH]c2ncc(cc12)-c1ccc(N)c(c1)C(=O)N(C)C
CN(C)C(=O)c1cc(ccc1N)-c1cnc2NCC3(CC3)c2c1
CN(C)C(=O)c1cc(ccc1N)-c1cnc2NCC3(CCC3)c2c1
CN(C)C(=O)c1cc(ccc1N)-c1cnc2NCC3(CCCC3)c2c1
CN(C)C(=O)c1c(N)ccc(c1F)-c1cnc2NCC3(CC3)c2c1C
CN(C)C(=O)c1c(N)ccc(c1F)-c1cnc2NCC3(CCC3)c2c1Cl
CN(C)C(=O)c1c(N)ccc(c1F)-c1cnc2NCC3(CCCC3)c2c1Cl
Cc1cnc(Nc2cnn(c2)C(F)F)nc1N1CCC2(CCNC2=O)CC1
Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCCCc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCCCc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCCCc3c2)NC(=O)c2nc(no2)C(C)(C)C)cn1 |r|
Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCCCc3c2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r|
Fc1ccc(cc1)C1(Cn2cncn2)COC(=N1)c1cc2ccc(Cl)cc2s1 |c:18|
Clc1ccc(cc1)C1(Cn2cncn2)COC(=N1)c1cc2ccc(Cl)cc2s1 |c:18|
NC(=O)[C@@H]1C[C@H](F)CN1Cc1ccc(OCc2cccc(F)c2)cc1 |r|
Nc1n[nH]c2nc(ncc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2C#N)cc1
CC(C)N1CCC(CC1)Oc1nc(nc2[nH]nc(C)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
Cc1n[nH]c2nc(nc(OC3CCN(CC3)C3CC3)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1
O[C@H]1CC[C@@H](CC1)Oc1nc(nc2[nH]ncc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1 |r,wU:4.7,wD:1.0,(43,-11.27,;41.45,-11.27,;40.68,-9.93,;39.13,-9.93,;38.37,-11.26,;39.14,-12.6,;40.68,-12.61,;36.83,-11.26,;36.06,-12.6,;34.52,-12.6,;33.75,-13.93,;34.52,-15.27,;36.05,-15.27,;37.07,-16.42,;38.48,-15.8,;38.34,-14.27,;36.83,-13.94,;32.21,-13.93,;31.43,-15.26,;29.89,-15.26,;29.13,-13.92,;27.59,-13.91,;26.81,-15.24,;28.15,-16.01,;26.81,-16.78,;25.27,-15.25,;24.5,-13.91,;22.96,-13.92,;22.18,-12.58,;22.2,-15.25,;22.96,-16.57,;24.5,-16.58,;25.27,-17.91,;29.9,-12.59,;31.44,-12.59,)|
C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O
[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)c3ccc(=O)oc3)[C@@]1(C)CCC(=O)C2
Cc1cc(C(O)=O)c2oc(CNC(=O)c3cnn4cccnc34)c(Cl)c2c1
[H][C@@]12C[C@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(O)=O)[C@@]([H])(CN1)C2 |r|
[H][C@@]12C[C@@]([H])(C[C@H]1c1ccc(cc1)-c1cc(cc3cc(ccc13)-c1ccc(cc1)C(F)(F)F)C(O)=O)C(=O)N2 |r|
CN(C)C1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
NC(=O)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 |r|
CN(CCCCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12)C1CCC(F)(F)CC1 |r|
CCOP(=O)(Cn1ccc(n1)NC(=O)c2cc(cc(c2)OC(C)C)Oc3cnc(cn3)C(=O)N4CCC4)OCC
Cc1c(C)c(=O)oc2cc(OCC3CCCN(CCCC(F)F)C3)ccc12
Cc1c(C)c(=O)oc2cc(OCC3CCN(CCCC(F)F)CC3)ccc12
CN(CCCC(F)F)Cc1cccc(COc2ccc3c(C)c(C)c(=O)oc3c2)c1
CN(CCCC(F)F)Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1
CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1cccc(F)c1
CN(Cc1ccccc1)Cc2ccc(cc2)COc3ccc4c(c3)OC(=O)C=C4CO
Cc1c(C)c(=O)oc2cc(OCC3CCN(CCCO)CC3)ccc12
Fc1cc2ncc3ncn(-c4ccc(CC#N)cc4)c3c2cc1-c1ccc(Oc2ccccn2)cc1Cl
Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC#N)CC1)-c1ccc(Oc2ncccn2)cc1Cl
CC1(CCN(CC#N)CC1)n1cnc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl
CC1(CCC(CC#N)CC1)n1cnc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl |(-4.25,.28,;-4.65,-1.21,;-3.17,-.81,;-2.08,-1.9,;-2.48,-3.38,;-1.39,-4.47,;.1,-4.08,;1.59,-3.68,;-3.96,-3.78,;-5.05,-2.69,;-5.74,-.12,;-7.27,-.28,;-7.9,1.13,;-6.76,2.16,;-6.76,3.69,;-5.43,4.47,;-4.09,3.7,;-2.77,4.47,;-1.43,3.7,;-.1,4.47,;-1.43,2.16,;-2.76,1.39,;-4.09,2.16,;-5.42,1.39,;-.1,1.39,;-.1,-.16,;1.24,-.92,;2.57,-.15,;3.9,-.92,;5.23,-.15,;5.23,1.39,;6.56,2.15,;7.9,1.38,;7.9,-.15,;6.57,-.93,;2.57,1.39,;1.24,2.16,;1.24,3.7,)|
Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CC[C@@](N)(CC#N)CC1)-c1ccc(Oc2ncccn2)cc1Cl |r,wU:15.17,wD:18.21,(-7.97,-1.41,;-7.2,-.08,;-7.83,1.33,;-6.69,2.36,;-6.69,3.89,;-5.36,4.67,;-4.02,3.9,;-2.69,4.66,;-1.36,3.9,;-.02,4.67,;-1.36,2.36,;-2.69,1.59,;-4.02,2.36,;-5.35,1.59,;-5.67,.08,;-4.58,-1.01,;-3.09,-.61,;-2.01,-1.7,;-2.4,-3.19,;-2.8,-4.67,;-1.32,-4.27,;.17,-3.88,;1.66,-3.48,;-3.89,-3.58,;-4.98,-2.49,;-.02,1.59,;-.02,.04,;1.31,-.72,;2.64,.05,;3.97,-.72,;5.31,.05,;5.31,1.59,;6.64,2.35,;7.97,1.58,;7.97,.05,;6.64,-.73,;2.64,1.59,;1.31,2.36,;1.31,3.9,)|
Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CC[C@](N)(CC#N)CC1)-c1ccc(Oc2ncccn2)cc1Cl |r,wU:15.17,18.21,(-7.97,-1.41,;-7.2,-.08,;-7.83,1.33,;-6.69,2.36,;-6.69,3.89,;-5.36,4.67,;-4.02,3.9,;-2.69,4.66,;-1.36,3.9,;-.02,4.67,;-1.36,2.36,;-2.69,1.59,;-4.02,2.36,;-5.35,1.59,;-5.67,.08,;-4.58,-1.01,;-3.09,-.61,;-2.01,-1.7,;-2.4,-3.19,;-2.8,-4.67,;-1.32,-4.27,;.17,-3.88,;1.66,-3.48,;-3.89,-3.58,;-4.98,-2.5,;-.02,1.59,;-.02,.04,;1.31,-.72,;2.64,.05,;3.97,-.72,;5.31,.05,;5.31,1.59,;6.64,2.35,;7.97,1.58,;7.97,.05,;6.65,-.73,;2.64,1.59,;1.31,2.36,;1.31,3.9,)|
N[C@]1(CC#N)CC[C@@H](CC1)n1cnc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl |r,wU:7.10,1.0,(-2.87,-4.67,;-2.48,-3.19,;-1.39,-4.27,;.1,-3.88,;1.59,-3.48,;-2.08,-1.7,;-3.17,-.61,;-4.65,-1.01,;-5.05,-2.5,;-3.96,-3.58,;-5.74,.08,;-7.28,-.08,;-7.9,1.33,;-6.76,2.36,;-6.76,3.89,;-5.43,4.67,;-4.09,3.9,;-2.77,4.66,;-1.43,3.9,;-.1,4.67,;-1.43,2.36,;-2.76,1.59,;-4.09,2.36,;-5.42,1.59,;-.1,1.59,;-.1,.04,;1.24,-.72,;2.57,.05,;3.9,-.72,;5.23,.05,;5.23,1.59,;6.56,2.35,;7.9,1.58,;7.9,.05,;6.57,-.73,;2.57,1.59,;1.24,2.36,;1.24,3.9,)|
Cc1nc2cnc3cc(F)c(cc3c2n1C1CCN(CC1)C(=O)CO)-c1ccc(Oc2ncccn2)cc1Cl
Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2ncccn2)cc1Cl |r|
OCC(=O)N1CC[C@@H]([C@@H](F)C1)n1cnc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl |r|
COCC(=O)N1CC[C@@H]([C@@H](F)C1)n1c(C)nc2cnc3cc(F)c(cc3c12)-c1ccc(Oc2ncccn2)cc1Cl |r|
Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2nccc(C)n2)cc1Cl |r|
Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2ncccn2)cc1C |r|
CC(C)C[C@H](N)COc1ccc(cc1)-c1ccncc1 |r|
CC(C)C[C@H](N)COc1ccc(cc1C#N)-c1ccnc(C)c1 |r|
COc1cc(ccn1)-c1ccc(OC[C@@H](N)CC(C)C)c(c1)C#N |r|
CC(C)C[C@H](N)COc1ccc(cc1C#N)-c1ccnc(c1)C(F)(F)F |r|
CC(C)C[C@](C)(N)COc1ccc(cc1C(F)(F)F)-c1ccncc1 |r|
CC(C)C[C@](C)(N)COc1ccc(cc1C(F)(F)F)-c1ccnc(F)c1 |r|
CC(C)C[C@](C)(N)COc1ccc(cc1C(F)(F)F)-c1ccnc(C)c1 |r|
CC(C)C[C@](C)(N)COc1ccc(cc1C(F)F)-c1ccnc(C)c1 |r|
CC(C)C[C@](C)(N)COc1ccc(cc1C#N)-c1ccnc(C)c1 |r|
CC(C)C[C@](C)(N)COc1ccc(cc1C1CC1)-c1ccnc(C)c1 |r|
CC(C)C[C@](C)(N)COc1ccc(cc1C(F)(F)F)-c1ccnc(c1)C(F)F |r|
CC(C)C[C@](C)(N)COc1ccc(cc1C(F)F)-c1ccnc(c1)C(F)F |r|
CC(C)C[C@](C)(N)COc1ccc(cc1C#N)-c1ccnc(c1)C(F)F |r|
CC(C)C[C@](C)(N)COc1ccc(cc1C1CC1)-c1ccnc(c1)C(F)F |r|
CC(C)C[C@](C)(N)COc1ccc(nc1C(F)F)-c1ccnc(c1)C(F)F |r|
C(N1CCC(CC1)c1nc(cs1)-c1cc2ccccc2o1)c1nc2ncccc2[nH]1
C(N1CCC(CC1)c1nc(cs1)-c1cc2ccccc2o1)c1nc2cnccc2[nH]1
C[C@@H](NC(=O)c1ncn2C[C@H](C)N(Cc12)C(=O)Nc1ccc(F)c(c1)C#N)C(F)(F)F |r|
CN1CCC(CC1)Nc1n[nH]c2cc(c(cc12)C1CC1)-c1ccnc(C)c1F
Cc1nccc(c1F)-c1cc2[nH]nc(N[C@H]3CCNC[C@@H]3F)c2cc1C1CC1 |r|
Cc1cc(cc(C)n1)-c1cc2[nH]nc(N[C@@H]3CCNC[C@H]3F)c2cc1C1CC1 |r|
CC(C)O[C@H]1CC[C@@H](OC1)C(=O)N1Cc2cccnc2Nc2ccc(cc12)N1CC2CCC1CO2 |r|
O=C(C1CCc2ccccc2CC1)N1Cc2cccnc2Nc2ccc(cc12)N1CCOCC1
Cc1cnc(Nc2ccnn2C)nc1-c1cc2CN([C@H](CO)c3cccc(Cl)c3)C(=O)n2c1 |r|
Cn1nccc1Nc1ncc(Cl)c(n1)-c1cc2CN([C@H](CO)c3cccc(Cl)c3)C(=O)n2c1 |r|
C[C@@H]1CN(C[C@H](N1)C)C(=O)[C@H](C)N2CCC(CC2)N3c4ccccc4NC3=O
Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)C1=CCN(CC1)C1COC1 |t:39|
Cc1noc(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r|
Cc1nnn(C)c1-c1cnc2c(c1)n([C@@H](C1CCOCC1)c1ccccc1)c1cc(ccc21)C(C)(C)O |r|
C[C@]1(CO[C@@](C(=N1)N)(C)C(F)(F)F)c2c(ccc(n2)NC(=O)c3c(cc(cn3)C(F)(F)F)Cl)F
Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |TLB:5:6:9:13.12.11,15:6:13:9.10.11,THB:15:10:13:6.14.7,14:6:9:13.12.11,14:12:9:6.15.7|
C[C@@H](c1cc(cc(c1)Cl)Cl)N2CCC(CC2)COc3cc(c(cc3C4CC4)C(=O)NS(=O)(=O)C)F
Cn1cnc2ncn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)c12 |r|
Cc1cc(cnc1C(=O)Nc2ccc(c(c2)[C@@]3(CO[C@@](C(=N3)N)(C)C(F)(F)F)C)F)C#N
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F |r,c:7|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(Br)cn2)ccc1F |r,c:7|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(cn2)C#N)ccc1F |r,c:7|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:7|
Cc1nc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N |r,c:26|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,c:7|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(cc2N)C#N)ccc1F |r,c:7|
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)CO[C@](C)(C(N)=N2)C(F)(F)F)c(C)c1 |r,c:24|
Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F |r,c:30|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(OC(F)F)cc2Cl)ccc1F |r,c:7|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,c:7|
CCCCCCCCCCCCCCCCCCCCOP(O)(=O)CO[C@H](C)Cn1cnc2c(N)ncnc12
CCCCCCCCCCCCCCCCCCOP(O)(=O)CO[C@H](C)Cn1cnc2c(N)ncnc12
CCCCCCCCCCCCCCCOP(O)(=O)CO[C@H](C)Cn1cnc2c(N)ncnc12
CCCCCCCCCCCCCCCCSCCCOP(O)(=O)CO[C@H](C)Cn1cnc2c(N)ncnc12
C[C@H](Cn1cnc2c(N)ncnc12)OCP(O)(=O)OCCCCCCCCCCCCCCCCCCC#C
C[C@H](Cn1cnc2c(N)ncnc12)OCP(O)(=O)OCCCCCCCCCCCCCCCCC#C
C[C@H](Cn1cnc2c(N)ncnc12)OCP(O)(=O)OCCCCCCCCCCCCCC#C
C[C@H](Cn2cnc1c(N)ncnc12)OCP(=O)(O)OCCCCCCCCCCCCCCCCC#C[Si](C)(C)C
C[C@H](Cn1cnc2c(N)ncnc12)OCP(O)(=O)OCCCCCCCCCCCCCCCCCC#CC(F)(F)F
C[C@H](Cn1cnc2c(N)ncnc12)OCP(O)(=O)OCCCCCCCCCCCCCCCCCCCC(F)(F)F
C[C@H](Cn1cnc2c(N)ncnc12)OCP(O)(=O)OCCCOCCCCCCCCCCCCCCC#C
C[C@H](Cn1cnc2c(N)ncnc12)OCP(O)(=O)OCCCOCCCCCCCCCCCCCC#CC(F)(F)F
C[C@H](Cn1cnc2c(N)ncnc12)OCP(O)(=O)OCCCOCCCCCCCCCCCCCCCC(F)(F)F
C[C@H](Cn2cnc1c(N)ncnc12)OCP(=O)(O)OCCCOCCCCCCCCCCCCC#C[Si](C)(C)C
CN(C(c1ccccc1)c1ccc(Cl)cc1)C(=O)Cn1ccnc1
Fc1cc(Cl)cc(N[C@@H]2CCCN([C@@H]3CCCN(C3)c3ncnc4[nH]ccc34)C2=O)c1 |r|
COc1ccc(cc1)-c1noc(n1)-c1cnc(Oc2ccc3cc(C(=O)N4CCN(Cc5ccc(OCC(F)(F)F)cc5)CC4)n(C)c3c2)cn1
Cn1c(cc2ccc(Oc3cnc(cn3)-c3nc(no3)-c3ccc(F)cc3)cc12)C(=O)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1
c1cc2c3cc1CCN4C(=O)C=CC(=N4)c5ccc(c(c5)C(F)(F)F)C(=O)NCCCCn6cc(cn6)-c(c3)cn2
CNC(=O)c1cncc(c1)-c1cnc2cc(-c3cnn(C)c3)c(OC3CCOC3)nn12
CNC(=O)c1cc(F)c(F)c(c1)-c1cnc2cc(-c3cnn(C)c3)c(O[C@H]3CCOC3)nn12 |r|
CNC(=O)c1cncc(c1)-c1cnn2cc(-c3cnn(C)c3)c(OC3CCOC3)nc12
CNC(=O)c1cncc(c1)-c1cnn2cc(-c3cnn(c3)C(C)C)c(O[C@H]3CCOC3)nc12 |r|
CCNC(=O)c1cncc(c1)-c1cnn2cc(-c3cnn(CC)c3)c(O[C@H]3CCOC3)nc12 |r|
Clc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCC=CCC2)cc1Cl |c:25|
CCCC(CCC)c1nc2c(Nc3ccc(I)cc3)nc3ccccc3c2[nH]1
C[C@H]1c2cccc(c2C[C@@H](N1C(=O)Cc3c(cccc3Cl)Cl)CO)CCC(C)(C)O
C[C@@H]1N([C@@H](CO)Cc2c1cccc2-c1cnn(C)c1)C(=O)Cc1c(Cl)cccc1Cl |r|
Fc1cccc(F)c1-c1cc(Nc2ccc(cc2)C(=O)N2CCCC2)c2C(=O)NCc2n1
OC(=O)c1cccc(c1)-c1ccc(\C=N\NC(=O)C2COc3ccccc3O2)o1
CCc1ccc(CC(=O)NCC2COc3ccccc3O2)cc1
O=C(Cc1ccc(cc1)-c1ccccc1)NCC1COc2ccccc2O1
COc1cc(ccc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1ccc(Cl)c(C)c1 |(6.67,-5.39,;5.33,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;1.33,-6.93,;1.33,-5.39,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;5.33,-3.08,;-2.67,,;-3.44,-1.33,;-1.9,1.33,;-4,.77,;-4,2.31,;-5.25,3.22,;-4.77,4.68,;-3.23,4.68,;-2.76,3.22,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;2.67,-13.86,;4,-11.55,;5.33,-12.32,;4,-10.01,)|
CNC(=O)N(c1ccc(cn1)S(=O)(=O)Nc1ccon1)c1ccc(cc1OC)-c1ccc(Cl)c(C)c1
CNC(=O)N(c1ccc(cn1)S(=O)(=O)Nc1ccon1)c1cc(Cl)c(cc1OC)-c1cccc(c1)C(F)(F)F
CNC(=O)N(c1ccc(cn1)S(=O)(=O)Nc1ccon1)c1cc(Cl)c(cc1OC)-c1ccc(F)c(c1)C(F)(F)F
CNC(=O)N(c1ccc(cn1)S(=O)(=O)Nc1ccon1)c1cc(Cl)c(cc1OC)-c1cc(F)c(F)c(F)c1
CNC(=O)N(c1ccc(cn1)S(=O)(=O)Nc1ccon1)c1cc(Cl)c(cc1OC)-c1cc(OC)cc(c1)C(F)(F)F
CNC(=O)N(c1ccc(cn1)S(=O)(=O)Nc1ccon1)c1cc(Cl)c(cc1OC)-c1cc(OC)nc(c1)C(F)(F)F
CNC(=O)N(c1ccc(cn1)S(=O)(=O)Nc1ccon1)c1cc(Cl)c(cc1OC)-c1cccc(OCC(F)(F)F)c1
CNC(=O)N(c1ccc(cn1)S(=O)(=O)Nc1ccon1)c1cc(Cl)c(cc1OC)-c1ccc(F)c(OCC(F)(F)F)c1
CNC(=O)N(c1ccc(cn1)S(=O)(=O)Nc1ccon1)c1cc(F)c(cc1OC)-c1ccc(F)c(OC(F)(F)F)c1
CNC(=O)N(c1ccc(cn1)S(=O)(=O)Nc1ncccn1)c1cc(F)c(cc1OC)-c1cccc(c1)C(F)(F)F
CNC(=O)N(c1ccc(cn1)S(=O)(=O)Nc1cccnn1)c1cc(F)c(cc1OC)-c1ccc(F)c(OC(F)(F)F)c1
CNC(=O)N(c1ccc(cn1)S(=O)(=O)Nc1ncccn1)c1cc(F)c(cc1OC)-c1ccc(F)c(c1)C(F)(F)F
CNC(=O)N(c1ccc(cn1)S(=O)(=O)Nc1ncccn1)c1cc(Cl)c(cc1OC)-c1ccc(F)c(OC(F)(F)F)c1
CNC(=O)N(c1ccc(cn1)S(=O)(=O)Nc1ncccn1)c1cc(F)c(cc1OC)-c1ccc(F)c(OC(F)(F)F)c1
Cc1cc(N)c(cc1C(=O)Nc1cc(F)c(F)c(F)c1)S(N)(=O)=O
Cc1c(ccc(n1)C2=CN=C(N(C2=O)C)NC(C)C)Oc3ccnc(c3)c4cnn(c4)C
Cc1c(ccc(n1)NC(=O)NC(=O)C(C)(C)C)Oc2ccnc(c2)c3cnn(c3)C
NCC(=C/F)[C@H]1Cc2ccccc2O1
[H][C@]12CN(CCN1c1cc3c(N[C@H](C)c4cccc(C(F)F)c4F)nc(C)nc3cc1OCC2)C(=O)C1(CC1)C#N |r|
[H][C@]12CN(CC(F)(F)F)CCN1c1cc3c(N[C@H](C)c4cccc(C(F)F)c4F)nc(C)nc3cc1OCC2 |r|
C[C@@H](Nc1nc(C)nc2cc(O)c(O[C@H]3CCOC3)cc12)c1cc(N)cc(c1)C(F)(F)F |r|
CC(C)(C)c1ccc(cc1)-c1nnc(Nc2ccc(Cl)cc2)o1
COc1ccc(CC2CCN(CC2)C(=O)c2ccc(nc2)C(=O)NC2CCN(Cc3ccc(cc3)C#N)CC2)cc1
O=C(NC1CCN(Cc2ccc(cc2)C#N)CC1)c1ccc(cn1)C(=O)N1CCC(CC1)Oc1ccc(cc1)C#N
COc1ccc(OC2CCN(CC2)C(=O)c2ccc(nc2)C(=O)NC2CCN(Cc3ccc(cc3)C#N)CC2)cc1
COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(cn1)C(=O)NC1CCN(Cc2ccc(cc2)C#N)CC1
Fc1ccc(C(=O)C2CCN(CC2)C(=O)c2ccc(nc2)C(=O)NC2CCN(Cc3ccc(cc3)C#N)CC2)c(F)c1
Fc1ccc(cc1)C(=O)C1(F)CCN(CC1)C(=O)c1ccc(nc1)C(=O)NC1CCN(Cc2ccc(cc2)C#N)CC1
FC(C1CCN(CC1)C(=O)c1ccc(nc1)C(=O)NC1CCN(Cc2ccc(cc2)C#N)CC1)c1ccc(F)cc1
FC(F)(F)COc1ccc(CN2CCN(CC2)C(=O)c2ccc(cc2)-c2noc(n2)-c2ccc(cc2)C(F)(F)F)cc1
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)ccc(OC)c1F
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F
COc1ccnc(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2C(F)(F)F)c1F
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)ccc2o1
CCc1ccc(cc1)-c1nc2cc(NC(=O)c3cc(ccc3Br)[N+]([O-])=O)ccc2o1
O\N=C\Nc1ccc(N2CCOCC2)c(Cl)c1
Cc1cccc2[nH]c(nc12)-c1cncc(-c2cc(F)cc(c2)C#N)c1N1CC[C@H](N)C1 |r|
Cc1ccc(F)c2[nH]c(nc12)-c1cncc(-c2cc(F)cc(c2)C#N)c1N1CC[C@H](N)C1 |r|
COc1nc(ccc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12)-c1ccc(Cl)cc1 |r|
Oc1cccc(c1)-c1nn(cc1-c1ccnc(NCCNC(=O)Nc2cccc(c2)C(F)(F)F)c1)-c1ccccc1
Oc1cccc(c1)-c1nn(cc1-c1ccnc(NCCCNC(=O)Nc2ccc(F)cc2)c1)-c1ccccc1
C[C@]1(COc2ccc(cc2)N2CCC(CC2)Oc2ccc(OC(F)(F)F)cc2)Cn2cc(nc2O1)[N+]([O-])=O |r|
C[C@]1(CN2Cc3nc(sc3C2)-c2ccc(F)cc2)CN=C(N)O1 |r,t:22|
Cc1cccc(c1)-c1cc(Oc2c(ccn(Cc3n[nH]c(=O)n3C)c2=O)C(F)(F)F)cc(c1)C#N
CCC#CCOc1ccc2cc(oc2c1)C(c1ccc(F)cc1)n1cncn1
CC#CCOc1ccc2cc(oc2c1)C(c1ccc(cc1)C#N)n1cncn1
COc1ccc(cc1N1CCNCC1)S(=O)(=O)n1cc(C(F)F)c2ccc(Cl)cc12
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC[C@](CF)(CC6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCCN1CCS(=O)(=O)CC1 |r,t:18,20|
Cc1cccc2sc(NC(=O)CCN3CCN(CC3)c3ccncc3)nc12
CN1CCN(CC1)c1ccc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cn1
COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(OC)c1OC
COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(c1)C(F)(F)F
COc1ccc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc1C(F)(F)F
Cc1cnc(Nc2ccc(F)c(c2)C(F)(F)F)nc1Nc1ccc2oc(=O)[nH]c2c1
COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(c1)C(F)F
COc1cc(CF)cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)c1
COc1cc(C)cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)c1
COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1OC
COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1C
COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1F
COc1c(ccc2c1n(cc(C(O)=O)c2=O)[C@@H]1C[C@@H]1F)N1CC[C@H](C1)C1(N)CC1 |r|
CN(C)C(=O)c1ccc2cccccc12
C(N1CCCCC1)c1ccc2cccc2cc1
OC(=O)c1ccc2ccc(C(=O)c3ccccc3)c2cc1
OCCNC(=O)c1ccc2ccc(C(=O)c3ccccc3)c2cc1
CN1CCN(CC1)C(=O)c1ccc2ccc(C(=O)c3ccccc3)c2cc1
COc1cccc(c1)C(=O)c1ccc2ccc(ccc12)C(O)=O
OC(=O)c1ccc2ccc(C(=O)c3ccc(cc3)C(F)(F)F)c2cc1
NC(=O)C1CCN(CC1)C(=O)c1ccc2cccccc12
COCC(=O)Nc1cc2cccccc2c1
OC(=O)c1ccc2c(cc(C(=O)c3ccccc3)c2cc1)C(=O)c1ccccc1
Cc1ccc(c2c1[nH]c(c2)C(=O)N[C@@H]3CCC[C@@H](C3)N4CCN(CC4)C(=O)C)F
[H][C@@]12CCC(=O)N1CCN(C2)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1 |r|
COC(=O)N1C[C@H](C)N([C@H](C)C1)c1ncc2[nH]nc(-c3ccc(cc3)N3CCN(C)CC3)c2n1 |r|
C[C@@H](c1nc(cs1)-c1ccc(cc1)C#N)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1sc(nc1-c1nc2ccc(cc2[nH]1)-c1noc(C)n1)C(F)(F)F
[H][C@@]12CC[C@@]([H])(C1)[C@]1(ON=C(c3cccnc3)[C@@]21[H])C(=O)Nc1ccc2[nH]ncc2c1 |r,t:10|
NCc1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |$;;;;;;;;;;;;;;HN;;;;;;$|
CNCc1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |$;HN;;;;;;;;;;;;;;HN;;;;;;$|
C[C@@H](N)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r,$;;;;;;;;;;;;;;;HN;;;;;;$|
C[C@@H](N)c1cc(Cl)ccc1Cn1c2nc[nH]c2c(=O)[nH]c1=S |r|
[H][C@@]12NC(=N)N[C@]11N(C[C@H](NC(=O)c3cccc4CCCCc34)C1(O)O)C(=N)N[C@H]2CN1C(=O)CCC1=O |r|
Fc1ccc(Cl)c(c1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCOCC3)CC2)nn1 |r|
C(Nc1ccc(nn1)-c1ccccc1)[C@@H]1CC11CCN(CC2CCOCC2)CC1 |r|
Fc1ccc(F)c(c1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCOCC3)CC2)nn1 |r|
Fc1cc(F)c(F)c(c1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCOCC3)CC2)nn1 |r|
Cn1cc2cc(ccc2n1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCOCC3)CC2)nn1 |r|
CC(=O)Nc1ccc(cc1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCOCC3)CC2)nn1 |r|
CC(C)CN1CCN(Cc2ccc(cc2C)-c2ncnc(N)c2OCCN(C)C(=O)C=C)C(=O)C1
CCCC1N(CCCC1(Oc1csc(c1)C(F)(F)F)C(=O)N1CCN(CC1)c1ccccc1OCCO)C(=O)c1cnccc1C(F)(F)F
CCC[C@H]1N(CCC[C@@]1(Oc1csc(c1)C(F)(F)F)C(=O)N1CCN(CC1)c1ccccc1OCCO)C(=O)c1c(OCC=C)nccc1C(F)(F)F |r|
CCC[C@H]1N(CCC[C@@]1(Oc1csc(c1)C(F)(F)F)C(=O)N1CCN(CC1)c1ccccc1OCCO)C(=O)c1cnccc1C |r|
CCC[C@H]1N(CCC[C@@]1(Oc1csc(c1)C(F)(F)F)C(=O)N1CCN(CC1)c1ccccc1OCCO)C(=O)c1ncccc1C(F)(F)F |r|
CCC[C@H]1N(CCC[C@@]1(Oc1csc(c1)C(F)(F)F)C(=O)N1CCN(CC1)c1ccccc1OCCO)C(=O)c1cc(F)ccc1C(F)(F)F |r|
CCC[C@H]1N(CCC[C@@]1(Oc1csc(c1)C(F)(F)F)C(=O)N1CCN(CC1)c1ccccc1OCCO)C(=O)c1c(F)cccc1C(F)(F)F |r|
CCC[C@H]1N(CCC[C@@]1(Oc1csc(c1)C(F)(F)F)C(=O)N1CCN(CC1)c1ccccc1OCCO)C(=O)c1c(ccc[n+]1[O-])C(F)(F)F |r|
CCC[C@H]1N(CCC[C@@]1(Oc1csc(c1)C(F)(F)F)C(=O)N1CCN(CC1)c1ccccc1OCCO)C(=O)c1c(O)nccc1C(F)(F)F |r|
CCC[C@H]1N(CCC[C@@]1(Oc1csc(c1)C(F)(F)F)C(=O)N1CCN(CC1)c1ccccc1OCCO)C(=O)c1c(OCCO)nccc1C(F)(F)F |r|
CCC[C@H]1N(CCC[C@@]1(Oc1csc(c1)C(F)(F)F)C(=O)N1CCN(CC1)c1ccccc1OCCO)C(=O)c1c(OCCN(C)C)nccc1C(F)(F)F |r|
CCC[C@H]1N(CCC[C@@]1(Oc1csc(c1)C(F)(F)F)C(=O)N1CCN(CC1)c1ccccc1OCCO)C(=O)c1c(OCC(O)=O)nccc1C(F)(F)F |r|
CCC[C@H]1N(CCC[C@@]1(Oc1csc(c1)C(F)(F)F)C(=O)N1CCN(CC1)c1ccccc1OC)C(=O)c1cnccc1C(F)(F)F |r|
CCC[C@H]1N(CCC[C@@]1(Oc1csc(c1)C(F)(F)F)C(=O)N1CCN(CC1)c1ccccc1OC)C(=O)c1c(O)nccc1C(F)(F)F |r|
CCC[C@H]1N(CCC[C@@]1(Oc1csc(c1)C(F)(F)F)C(=O)N1CCN(CC1)c1ccccc1OCCCC(O)=O)C(=O)c1c(O)nccc1C(F)(F)F |r|
CC(C)COc1ccc(cc1)CNC(=O)N(Cc2ccc(cc2)F)C3CCN(CC3)C
CN1CCC(CC1)N(Cc1ccc(F)cn1)C(=O)NCc1ccc(OCC(F)(F)F)cc1
COc1cc(ccc1Oc1cc(N)nc(Nc2ccc(cc2)C#N)n1)-c1ccc(cc1)C#N
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@](C)(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@](C)(O)C(F)(F)F |r,t:9|
Cc1cc(=O)n(c(C)n1)-c1ccc(N2CCC(Cc3ccc(Cl)c(F)c3)CC2)c(Cl)c1
CC(C)c1ccc(cc1)-c1nc(CN2CCN(CC2)c2ccnc3cc(ccc23)-c2cccnc2)no1
Cc1ccc2c(Nc3cc([nH]n3)C3CC3)nc(NCc3ccc(F)cc3F)nc2c1
CC(C)Sc1nc(C(C#N)c2c(F)cccc2F)c(C)c(=O)[nH]1
Cc1ccc(c(c1n2c(c(c3c2nc4cccc(c4n3)Br)C(=O)N)N)C)O
Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nccnc12 |(2.29,-1.88,;2.58,-.68,;4.06,-.25,;4.42,1.25,;3.31,2.31,;3.6,3.51,;1.83,1.88,;.94,2.73,;1.47,.38,;-.03,.06,;-.66,-1.35,;-.04,-2.42,;-2.19,-1.19,;-3.22,-2.33,;-4.42,-2.08,;-2.84,-3.51,;-2.51,.32,;-3.85,1.09,;-3.85,2.63,;-2.51,3.4,;-1.18,2.63,;-1.18,1.09,)|
Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(C)c(C)nc12 |(2.54,-2.44,;2.83,-1.24,;4.31,-.81,;4.67,.68,;3.56,1.75,;3.85,2.95,;2.08,1.31,;1.18,2.16,;1.72,-.18,;.21,-.5,;-.42,-1.91,;.2,-2.98,;-1.95,-1.75,;-2.98,-2.9,;-4.18,-2.64,;-2.59,-4.07,;-2.27,-.25,;-3.6,.52,;-3.6,2.07,;-4.67,2.68,;-2.27,2.84,;-2.27,4.07,;-.93,2.07,;-.93,.52,)|
Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(cnc12)C1CC1 |(3.4,-2.47,;3.69,-1.27,;5.17,-.84,;5.53,.66,;4.42,1.72,;4.71,2.92,;2.94,1.29,;2.05,2.14,;2.58,-.21,;1.07,-.53,;.45,-1.94,;1.06,-3.01,;-1.09,-1.78,;-2.11,-2.92,;-3.32,-2.67,;-1.73,-4.1,;-1.4,-.27,;-2.74,.5,;-2.74,2.04,;-1.4,2.81,;-.07,2.04,;-.07,.5,;-4.07,2.81,;-5.53,2.81,;-4.76,4.1,)|
Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(cnc12)C(C)(C)O |(3.2,-2.6,;3.49,-1.4,;4.97,-.97,;5.34,.53,;4.22,1.59,;4.51,2.79,;2.74,1.16,;1.85,2.01,;2.38,-.34,;.88,-.66,;.25,-2.07,;.87,-3.13,;-1.28,-1.9,;-2.31,-3.05,;-3.51,-2.8,;-1.93,-4.22,;-1.6,-.4,;-2.93,.37,;-2.93,1.91,;-1.6,2.68,;-.27,1.91,;-.27,.37,;-4.27,2.68,;-5.34,2.07,;-4.27,4.22,;-5.34,3.3,)|
Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(cnc12)N1CCOCC1 |(4,-2.98,;4.3,-1.78,;5.77,-1.35,;6.14,.15,;5.02,1.21,;5.32,2.41,;3.55,.78,;2.65,1.63,;3.19,-.72,;1.68,-1.04,;1.05,-2.45,;1.67,-3.52,;-.48,-2.29,;-1.51,-3.43,;-2.71,-3.18,;-1.12,-4.61,;-.8,-.78,;-2.13,-.01,;-2.13,1.53,;-.8,2.3,;.53,1.53,;.53,-.01,;-3.47,2.3,;-4.8,1.53,;-6.14,2.29,;-6.14,3.83,;-4.81,4.61,;-3.47,3.84,)|
Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(cnc12)-c1ncc(F)cc1F |(4.54,-2.98,;4.83,-1.78,;6.31,-1.35,;6.67,.15,;5.56,1.21,;5.85,2.41,;4.08,.78,;3.19,1.63,;3.72,-.72,;2.21,-1.04,;1.59,-2.45,;2.2,-3.52,;.05,-2.29,;-.97,-3.43,;-2.18,-3.18,;-.59,-4.61,;-.27,-.78,;-1.6,-.01,;-1.6,1.53,;-.27,2.3,;1.07,1.53,;1.07,-.01,;-2.94,2.3,;-4.27,1.53,;-5.6,2.29,;-5.6,3.83,;-6.67,4.45,;-4.27,4.61,;-2.94,3.84,;-1.87,4.46,)|
Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(cnc12)-c1nccs1 |(3.88,-2.75,;4.17,-1.55,;5.65,-1.12,;6.01,.38,;4.9,1.44,;5.19,2.64,;3.42,1.01,;2.53,1.86,;3.06,-.49,;1.55,-.81,;.93,-2.21,;1.54,-3.28,;-.61,-2.05,;-1.63,-3.2,;-2.84,-2.94,;-1.25,-4.37,;-.92,-.55,;-2.26,.22,;-2.26,1.76,;-.92,2.53,;.41,1.76,;.41,.22,;-3.59,2.53,;-3.74,4.05,;-5.24,4.37,;-6.01,3.04,;-4.98,1.89,)|
Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2cc(Cl)cnc12 |(.92,2.78,;1.81,1.93,;3.29,2.36,;4.41,1.3,;4.04,-.2,;4.93,-1.05,;2.56,-.63,;2.27,-1.83,;1.45,.43,;-.05,.11,;-.68,-1.3,;-.06,-2.36,;-2.21,-1.13,;-3.24,-2.28,;-4.44,-2.03,;-2.86,-3.45,;-2.53,.37,;-3.87,1.14,;-3.87,2.68,;-4.93,3.3,;-2.53,3.45,;-1.2,2.68,;-1.2,1.14,)|
Cc1ccc(c(c1n2c(c(c3c2nc(c(c3)C)C)C(=O)N)N)C)O
CCN1C(=NN(C1=O)c2c(cc(c(n2)O[C@@H](C)C(F)(F)F)C(=O)Nc3c(ccnc3Cl)C)F)CO
CCN1C(=NN(C1=O)c2c(cc(c(n2)O[C@@H](C)C(F)(F)F)C(=O)Nc3c(cnc(c3Cl)OC)C)F)CO
C[C@@H]1CN(CCN1C(C)=O)c1cc(nnc1N)-c1ccccc1O |r|
CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2Cl)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2C)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2OC)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2Cl)-c2ccsc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2OC)-c2ccsc2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
CC(C)Oc1ccc(nc1)-c1nsc(Nc2ncccc2N(C)C)n1
CC(C)Oc1ccc(nc1)-c1nsc(Nc2ncccc2N(C)C(C)=O)n1
c1cc2nnc(n2nc1NC3CCC(CC3)Nc4ccnc(n4)C(F)(F)F)Cl
Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1ccc2C(=O)CC3(CCOCC3)Oc2c1
Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1ccc2C(=O)NC3(CCOCC3)Oc2c1
CC\C(=C(/c1[nH]c2ccccc2c1Cl)c1ccc(\C=C\C(O)=O)cc1)c1ccc(F)cc1Cl
[H][C@]12OC[C@@H](Oc3cc4nc(c(F)cc4[nH]3)-c3ccc(cc3)-c3ccc(cc3)N=S(C)(C)=O)[C@@]1([H])OC[C@H]2O |r|
[H][C@]12OC[C@@H](Oc3cc4nc(c(F)cc4[nH]3)-c3ccc(cc3)-c3ccc(cn3)N=S(C)(C)=O)[C@@]1([H])OC[C@H]2O |r|
CC(C)(F)c1nc(no1)C12CCC(CN(C(=O)[C@H]3C[C@@](O)(C3)C(F)(F)F)c3cccc(c3)-c3ccc(cc3)C(C)(C)O)(CC1)CC2 |r,wD:17.17,19.20,(9.31,1.6,;8.54,.26,;9.31,-1.07,;10.08,.26,;7,.26,;5.97,1.41,;4.57,.78,;4.73,-.75,;6.23,-1.07,;3.23,1.55,;3.23,3.09,;1.9,3.86,;.57,3.09,;-.77,3.86,;-2.1,3.09,;-3.43,3.86,;-3.43,5.4,;-4.77,3.09,;-6.1,3.86,;-6.89,2.51,;-7.97,3.6,;-5.55,1.74,;-8.37,2.11,;-9.46,3.2,;-9.91,2.11,;-8.77,.62,;-2.1,1.55,;-.76,.78,;-.76,-.76,;-2.09,-1.53,;-3.43,-.76,;-3.43,.78,;-4.76,-1.54,;-4.75,-3.08,;-6.08,-3.86,;-7.41,-3.09,;-7.43,-1.56,;-6.1,-.78,;-8.75,-3.86,;-10.08,-3.09,;-8.75,-5.4,;-10.08,-4.63,;.57,1.55,;1.9,.78,;1.13,1.92,;2.14,1.47,)|
COc1nn2cc(nc2s1)-c1cc2c(OCc3nc(sc3C)N3CCOCC3)cc(OC)cc2o1
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(cc3)C(=O)N(C)C)cc(OC)cc2o1
Cn1cc2c3cc(ccc3n(-c3ccc(cc3)C(F)(F)F)c2n1)C(O)=O
[H][C@]12C[C@@H](O[C@]3([H])O[C@H](C)[C@@H](O)[C@H](NC(=O)CNC)[C@@H]3O)C=CC=CC=CC=CC=CC=CC=C[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(=O)NCCN)O2
C[C@@H](Nc1nnc(C)c2cnc(cc12)N1CCOCC1)c1cccc(c1C)C(F)(F)F |r|
Cc1cc(cc(c1NC(=O)OC)C)N(CC#C)Cc2ccc(cc2)F
CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc3sc4ccccc4c3c2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
C[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)F)C(N)=O |r|
CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r,TLB:17:16:9.15.10:13.12|
[H][C@]12CC[C@]([H])(C[C@H](C1)n1c(C)nc3CN(CCc13)C(=O)C(C)C)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccsc1 |r,TLB:9:7:3.2:24|
[H][C@]12CC[C@]([H])(C[C@H](C1)n1c(C)nc3CN(CCc13)C(C)=O)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccsc1 |r,TLB:9:7:3.2:22|
C[C@@H](c1cn(nn1)-c1ccc(Cl)cc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F |r|
FC1(CC1)C(=O)NC1CCC(CC1)c1cccc2nc(NC(=O)C3CC3)nn12 |(5.13,9.05,;4.36,7.71,;4.36,6.17,;5.77,7.09,;3.12,8.62,;3.28,10.15,;1.71,7.99,;1.71,6.45,;3.04,5.68,;3.04,4.14,;1.71,3.37,;.37,4.14,;.37,5.68,;1.71,1.83,;3.04,1.06,;3.04,-.48,;1.71,-1.25,;.37,-.48,;-1.09,-.95,;-2,.29,;-3.54,.29,;-4.31,-1.04,;-3.54,-2.38,;-5.85,-1.04,;-6.99,-.01,;-7.25,-1.67,;-1.09,1.54,;.37,1.06,)|
FC1(F)C[C@H]1C(=O)N[C@H]1CC[C@H](CC1)c1cccc2nc(NC(=O)C3CC3)nn12 |r,wU:11.15,8.8,4.5,(7.32,4.03,;5.77,4.03,;6.55,5.36,;5.01,2.69,;4.23,4.03,;2.9,4.8,;2.9,6.34,;1.57,4.03,;1.57,2.49,;2.9,1.72,;2.9,.18,;1.57,-.59,;.23,.18,;.23,1.72,;1.57,-2.13,;2.89,-2.9,;2.89,-4.43,;1.57,-5.2,;.24,-4.44,;-1.23,-4.92,;-2.13,-3.67,;-3.67,-3.67,;-4.44,-5,;-3.67,-6.34,;-5.98,-5,;-7.32,-4.23,;-7.32,-5.77,;-1.23,-2.42,;.24,-2.9,)|
FC1(F)C[C@H]1C(=O)N1CCC2(CCC(CC2)c2cccc3nc(NC(=O)C4CC4)nn23)CC1 |r|
FC1(F)C[C@H]1C(=O)N1CCC2(C1)CCC(CC2)c1cccc2nc(NC(=O)C3CC3)nn12 |r|
O=C(CC#N)N1CC2(C1)CCC(CC2)c1cccc2nc(NC(=O)C3CC3)nn12
FC1(F)C[C@H]1C(=O)N1CC2(C1)CCC(CC2)c1cccc2nc(NC(=O)C3CC3)nn12 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(OC(F)F)c2C1=O)-c1ccn2nc(N)c(C(=O)N[C@H]3CC[C@@](C)(O)CC3)c2n1 |r,wU:30.32,1.1,33.37,(7.66,2.89,;6.89,1.55,;7.66,.22,;7.66,-1.32,;8.99,-.55,;5.35,1.55,;4.44,2.8,;2.98,2.32,;1.65,3.09,;.31,2.32,;.31,.78,;1.65,.01,;1.65,-1.53,;.32,-2.3,;.32,-3.84,;-1.02,-1.53,;2.98,.78,;4.44,.31,;4.84,-1.18,;-1.02,3.09,;-1.02,4.63,;-2.34,5.39,;-3.67,4.63,;-5.14,5.1,;-6.04,3.86,;-7.58,3.86,;-5.14,2.61,;-5.91,1.28,;-7.45,1.28,;-5.14,-.06,;-5.91,-1.39,;-5.14,-2.72,;-5.91,-4.06,;-7.45,-4.06,;-8.22,-5.39,;-8.99,-4.06,;-8.22,-2.72,;-7.45,-1.39,;-3.67,3.09,;-2.34,2.33,)|
CC(C)S(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1ccn2nc(N)c(C(=O)NC3CC3)c2n1 |r|
COC[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r|
c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)[C@H]([C@@H]3CCCCN3)O
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(OC)c(OC)c3)nc(nc12)C#Cc1ccc(Cl)s1 |r|
CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCCc3ccc(OC)c(O)c3)nc(OCC(C)C)nc12 |r|
CCNC(=O)c1ccc2N([C@@H](C)C[C@@H](Nc3ccc(cn3)C#N)c2c1)C(C)=O |r|
C[C@H]1C[C@@H](Nc2ccc(Cl)cn2)c2cc(ccc2N1C(C)=O)C(N)=O |r|
C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)C(=O)N)Nc3ncc(cn3)Cl
CC(C)(C(=O)O)Sc1nc2c(n1Cc3ccc(c4c3cccc4)Br)cccn2
Brc1ccc(cc1)-c1nc2ccc(Br)cn2n1
OCCCn1cc(CNc2nc(NC3CCN(CCP(O)(O)=O)CC3)cc(n2)N2CCOCC2)nn1
Fc1cccc(F)c1CC1(Cn2ccnc2)COC(=N1)c1ccc(cc1)-c1ccsc1 |c:20|
Fc1cccc(F)c1CC1(Cn2cncn2)COC(=N1)c1ccc(cc1)-c1ccsc1 |c:20|
CC(C)C[C@H](N)COc1ccc(cc1C#N)-c1ccnc(NC(C)=O)c1 |r|
COc1cc(ccc1OC[C@@H](N)CC(C)C)-c1ccnc(NC(C)=O)c1 |r|
CC(C)C[C@H](N)COc1ccc(cc1F)-c1ccnc(NC(C)=O)c1 |r|
CC(C)C[C@H](N)COc1ccc(cc1C(F)(F)F)-c1ccnc(NC(C)=O)c1 |r|
CC(C)C[C@H](N)COc1ccc(cc1OC(F)(F)F)-c1ccnc(NC(C)=O)c1 |r|
CC(C)C[C@H](N)COc1ccc(cc1C)-c1ccnc(NC(C)=O)c1 |r|
CC(C)C[C@H](N)COc1ccc(cc1Cl)-c1ccnc(NC(C)=O)c1 |r|
CC(C)C[C@H](N)COc1c(F)cc(cc1F)-c1ccnc(NC(C)=O)c1 |r|
CC(C)C[C@H](N)COc1c(F)cc(cc1Cl)-c1ccnc(NC(C)=O)c1 |r|
CC(C)C[C@H](N)COc1c(F)cc(cc1C(F)(F)F)-c1ccnc(NC(C)=O)c1 |r|
CC(C)C[C@H](N)COc1cc(F)c(cc1F)-c1ccnc(NC(C)=O)c1 |r|
COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@H](N)CC(C)C)c(F)c1 |r|
COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@H](N)CC(C)C)c(c1)-c1ccno1 |r|
CC(C)C[C@](C)(N)COc1ccc(cc1C(F)(F)F)-c1ccnc(NC(C)=O)c1 |r|
CC(C)C[C@](C)(N)COc1ccc(cc1C#N)-c1ccnc(NC(C)=O)c1 |r|
CC(C)C[C@](C)(N)COc1ccc(cc1OC(F)(F)F)-c1ccnc(NC(C)=O)c1 |r|
CC(C)C[C@](C)(N)COc1ccc(cc1F)-c1ccnc(NC(C)=O)c1 |r|
COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(c1)C(F)(F)F |r|
COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(c1)C#N |r|
COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(c1)C(F)F |r|
COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(OC(F)(F)F)c1 |r|
COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(F)c1 |r|
COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(Cl)c1 |r|
COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(C)c1 |r|
COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(CO)c1 |r|
COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(c1)C1CC1 |r|
COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)nc1 |r|
COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)c(C)c1 |r|
COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)c(OC)c1 |r|
COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)c(c1)C#N |r|
COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)c(Cl)c1 |r|
COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)cc1C |r|
COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)cn1 |r|
COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(C)n1 |r|
COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(Cl)n1 |r|
COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(n1)C(F)F |r|
COC(=O)Nc1cc(ccn1)-c1cc(C)c(OC[C@@](C)(N)CC(C)C)cn1 |r|
COC(=O)Nc1cc(ccn1)-c1cc(Cl)c(OC[C@@](C)(N)CC(C)C)cn1 |r|
COC(=O)Nc1cc(ccn1)-c1cc(OC)c(OC[C@@](C)(N)CC(C)C)cn1 |r|
COC(=O)Nc1cc(ccn1)-c1cc(c(OC[C@@](C)(N)CC(C)C)cn1)C(F)(F)F |r|
COC(=O)Nc1cc(ccn1)-c1cc(C(F)F)c(OC[C@@](C)(N)CC(C)C)cn1 |r|
CC(C)C[C@](C)(N)COc1cnc(cc1Cl)-c1ccnc(C)c1 |r|
CC(C)C[C@](C)(N)COc1cnc(cc1C(F)(F)F)-c1ccnc(C)c1 |r|
CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1ccnc(C)c1 |r|
CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1ccnc(Cl)c1 |r|
CC(C)C[C@](C)(N)COc1cnc(cc1Cl)-c1ccnc(Cl)c1 |r|
CC(C)C[C@](C)(N)COc1cnc(cc1C)-c1ccnc(c1)C(F)F |r|
CC(C)C[C@](C)(N)COc1cnc(cc1C(F)F)-c1ccnc(c1)C(F)F |r|
CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1C\C=C\Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(cc(OCCCNC(=O)OC(C)(C)C)c12)C(N)=O)C(N)=O
CC(C)C[C@H](Nc1ncnc(Nc2ccc(NC(C)=O)cc2)n1)C(=O)OC(C)(C)C |r|
CC(C)C[C@H](Nc1ncnc(Nc2ccc(NC(C)=O)cc2)n1)C(O)=O |r|
CC(=O)Nc1ccc(Nc2ncnc(NCCC(=O)OC(C)(C)C)n2)cc1
CC(=O)Nc1ccc(Nc2ncnc(N[C@@H](Cc3ccccc3)C(=O)OC(C)(C)C)n2)cc1 |r|
C(Nc1ncc(-c2cccnc2)c2nncn12)c1cccc2OCCc12
C(Nc1ncc(-c2ccncc2)c2nncn12)c1cccc2OCCc12
CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12
COc1cccc(F)c1CNc1ccc(-c2cnc(C)nc2C)c2nncn12
Cc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
Cn1ccnc1SC[C@H]1CCN(C[C@@H]1F)S(=O)(=O)c1ccc2OCCc2c1 |r|
FC(F)(F)c1c(Cl)ccc(c1Cl)-n1ccnn1
Cc1onc(c1COc1ccc2CN(CCc2n1)C(=O)CS(C)(=O)=O)-c1ccc(F)cc1
Fc1ccc(CN2CCn3c2nc(=O)c2CN(Cc4ccccc4)CCc32)cc1Br
Cc1ccccc1CN1C2=NCCN2C2=C(CN(Cc3ccccc3)CC2)C1=O |t:10,16|
[H][C@@]12CN(c3cc(OC)c(cc3NC(=O)C#CC)-c3cc4n(CC)c(=O)c(cc4cn3)-c3c(Cl)c(OC)cc(OC)c3Cl)[C@@]([H])(CO1)C2 |r,wU:43.47,1.0,(-10.43,2.76,;-9.34,3.85,;-8,3.08,;-6.67,3.85,;-5.33,3.08,;-3.99,3.85,;-2.66,3.08,;-1.33,3.85,;0,3.08,;-2.66,1.54,;-3.99,.77,;-5.33,1.54,;-6.67,.77,;-6.67,-.77,;-5.33,-1.54,;-8,-1.54,;-9.34,-2.3,;-10.68,-3.06,;-1.33,.77,;0,1.54,;1.33,.77,;2.67,1.54,;2.67,3.08,;4.01,3.85,;4.01,.77,;5.34,1.54,;4.01,-.77,;2.67,-1.54,;1.33,-.77,;0,-1.54,;-1.33,-.77,;5.34,-1.54,;6.67,-.77,;6.67,.77,;8.01,-1.54,;9.34,-.77,;10.68,-1.54,;8.01,-3.08,;6.67,-3.85,;6.67,-5.39,;8.01,-6.16,;5.34,-3.08,;4.01,-3.85,;-6.67,5.39,;-5.33,6.16,;-8,6.16,;-9.34,5.39,;-8.24,4.94,)|
COc1cc(OC)c(Cl)c(c1Cl)-c1ccc2nc(N[C@@H]3COCC[C@@H]3NC(=O)C=C)ncc2c1 |r|
CC(C)NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2NC(=O)C[C@@H](C)c12)c1ccc(Cl)cc1 |r|
[H][C@@]12C[C@]1([H])N(CCN2C(=O)[C@H](CNC(C)C)c1ccc(Cl)cc1)c1ncnc2NC(=O)C[C@@H](C)c12 |r|
[H][C@@]12C[C@]1([H])N(CCN2C(=O)[C@H](CNC1CC1)c1ccc(Cl)cc1)c1ncnc2NC(=O)C[C@@H](C)c12 |r|
[H][C@@]12C[C@]1([H])N(CCN2C(=O)[C@H](CNC1C2COCC12)c1ccc(Cl)cc1)c1ncnc2NC(=O)C[C@@H](C)c12 |r|
[H][C@@]12C[C@]1([H])N(CCN2C(=O)[C@H](CNC1CCC(CC1)OC)c1ccc(Cl)cc1)c1ncnc2NC(=O)C[C@@H](C)c12 |r,wU:11.13,1.0,3.4,wD:38.42,(3.08,-1.58,;2,-2.67,;3.33,-3.45,;2,-4.22,;3.48,-4.62,;.66,-5,;-.68,-4.22,;-.68,-2.67,;.66,-1.91,;.66,-.37,;1.99,.4,;-.67,.4,;-.67,1.94,;.66,2.71,;.66,4.25,;-.67,5.02,;-.67,6.56,;.66,7.33,;1.99,6.56,;1.99,5.02,;.66,8.87,;-.67,9.64,;-2.01,-.37,;-2,-1.91,;-3.34,-2.68,;-4.67,-1.92,;-6.01,-2.69,;-4.68,-.37,;-3.34,.4,;.66,-6.54,;-.68,-7.32,;-.68,-8.87,;.66,-9.64,;2,-8.87,;3.33,-9.64,;4.67,-8.87,;6.01,-9.64,;4.67,-7.32,;3.33,-6.54,;3.33,-5,;2,-7.32,)|
[H][C@@]12C[C@]1([H])N(CCN2C(=O)[C@H](CN)c1ccc(Cl)cc1)c1ncnc2NC(=O)C[C@@H](C)c12 |r|
CC(c1c(cncc1Cl)Cl)Oc2cc(ncc2C#N)NC(=O)c3cn(c4c3nc(c(c4)Br)C=O)CCN5CCOCC5
C[C@@H]1c2cc(c(cc2C=CN(C1=O)C)OC)OC
C[C@@H]1c2ccc(cc2C(=CN(C1=O)C)c3cnn(c3)C)[C@H](CO)O
CC#CCOc1ccc2cc(oc2c1)C(O)(c1ccc(Br)cc1)c1cccnc1
CCOC(=O)C1=C(C)Cc2nc(N3CCC(CC3)C(=O)NS(=O)(=O)Cc3ccccc3)c(cc2C1)C#N |c:5|
O=C(NS(=O)(=O)Cc1ccccc1)C1CCN(CC1)c1nc2COC(=O)c2cc1C#N
Clc1ccc(s1)S(=O)(=O)NC(=O)C1CCN(CC1)c1nc2COC(=O)c2cc1C#N
CC1(CCN(CC1)c1nc2COC(=O)c2cc1C#N)C(=O)NS(=O)(=O)c1ccc(Cl)s1
Cc1ccc(CS(=O)(=O)NC(=O)C2(C)CCN(CC2)c2nc3COC(=O)c3cc2C#N)cc1
OC1(Cc2ccccc2)CCN(CC1)C(=O)c1cccnc1-c1ccncc1
Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cc(cc(c3)N)C(F)(F)F)O[C@H]4CCOC4)OC
[H][C@@]12COc3cc4nc(C)nc(N[C@H](C)c5cccc(C(F)F)c5F)c4cc3N1CCN(C2)C(=O)[C@H]1CCOC1 |r|
Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc2n(C)ncc2c1)-c1c(Cl)c(C)cc2[nH]ncc12 |(8.62,-12.01,;10.09,-11.52,;11.34,-12.43,;12.58,-11.52,;12.1,-10.05,;10.56,-10.06,;9.66,-8.81,;9.89,-7.29,;8.37,-7.05,;8.13,-8.58,;8.77,-5.56,;7.27,-5.16,;6.88,-6.65,;6.5,-3.83,;7.27,-2.49,;4.96,-3.83,;4.19,-2.5,;14.04,-11.99,;15.18,-10.95,;16.64,-11.42,;16.97,-12.93,;18.31,-13.69,;19.71,-13.06,;18,-15.2,;16.47,-15.37,;15.84,-13.97,;14.37,-13.49,;11.35,-13.97,;10.02,-14.74,;8.69,-13.97,;10.02,-16.28,;8.69,-17.05,;11.35,-17.05,;12.69,-16.27,;14.15,-16.75,;15.06,-15.5,;14.15,-14.25,;12.69,-14.73,)|
CCOC(=O)CCCc1ccc(N\C=N\O)cc1
NS(=O)(=O)c1nccc(-c2ccc(CO)cc2)c1-c1nn[nH]n1
C[C@@H]1[C@@H](CCCN1C(=O)CNc1cc(Cl)cc(Cl)c1)Nc1ncnc2[nH]ccc12 |r|
[H][C@]12CCN(c3ncnc4[nH]ccc34)[C@@]1([H])CN(CC2)C(=O)CNc1cc(Cl)cc(Cl)c1 |r|
CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(Cl)c1F)C(N)=O |r|
CC[C@@H](Nc1c(C#N)c(nc2cnccc12)-c1ccc(cc1)-c1cccc(C)c1F)C(O)=O
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccccc2)CC1
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)B2NC=CC=C2)CC1 |c:29,31|
FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(cc1)-c1ccccc1
FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(cc1)B1NC=CC=C1 |c:28,30|
O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc([nH]n1)C1CC1
O=C(Cc1ccc(cc1)B1NC=CC=C1)Nc1cc([nH]n1)C1CC1 |c:12,14|
CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(o1)-c1cc2ccccc2nc1OC |r|
CC(C)C[C@@H](NC(=O)C1(CCCCC1)C(F)(F)F)C(=O)Nc1nnc(Cc2ccc(cc2)C#N)s1 |r|
Cc1ncn(CC(=O)N2CCN(C[C@H]2CCO)c2sc(nc2-c2cnc(nc2)C(F)(F)F)C(F)(F)F)n1
COc1cc(cc(OC)c1C)-c1nn2[C@@H](CCNc2c1C(N)=O)C1CCN(CC1)C(=O)C=C |r|
COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F
COc1cccc(NC(=O)c2nnn(Cc3ccc(CN4CCOCC4)cc3)c2N)c1
Cc1cccc(n1)-c1[nH]c(NCc2ccc(Cl)c(Cl)c2)nc1-c1ccc2[nH]ncc2c1
Cc1cccc(n1)-c1[nH]c(NCc2ccc(Cl)cc2F)nc1-c1ccc2[nH]ncc2c1
Cc1cccc(n1)-c1[nH]c(NCc2cccc(Cl)c2F)nc1-c1ccc2[nH]ncc2c1
Cc1cccc(n1)-c1[nH]c(NCc2ccc(F)c(F)c2)nc1-c1ccc2[nH]ncc2c1
Cc1cccc(n1)-c1[nH]c(NCc2ccc(F)cc2F)nc1-c1ccc2[nH]ncc2c1
Cc1cccc(n1)-c1[nH]c(NCc2cccc(F)c2F)nc1-c1ccc2[nH]ncc2c1
Cc1cccc(n1)-c1[nH]c(NCc2cccc(F)c2)nc1-c1ccc2[nH]ncc2c1
Cc1cccc(n1)-c1[nH]c(NCc2ccccc2F)nc1-c1ccc2[nH]ncc2c1
Cc1cccc(n1)-c1[nH]c(NCc2cccc(F)c2)nc1-c1ccc2n(ncc2c1)S(C)(=O)=O
Cc1cccc(n1)-c1[nH]c(NCc2cccc(F)c2)nc1-c1ccc2n(ncc2c1)C(F)F
Cc1cccc(n1)-c1[nH]c(NCc2cccc(F)c2)nc1-c1ccc2n(C)ncc2c1
CCCOc1cccc2oc(=O)ccc12
COc1cccc2ccc(=O)oc12
COc1ccc2oc(=O)ccc2c1
COc1c2c(cco2)cc3c1OC(=O)C=C3
CCOc1cccc2oc(=O)ccc12
COc1cccc2oc(=O)ccc12
O=c1ccc2c(OCC#C)cccc2o1
C=CCOc1cccc2oc(=O)ccc12
Cc1noc(C)c1-c1ccc2[nH]c(=O)cc(NCc3ccccc3)c2c1
Fc1cc(Cc2cc(ccn2)-n2ncc3c2CCNC3=O)cc(c1)C(F)(F)F
NCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
FC(F)(F)c1nccc2cc(Nc3n[nH]c4ncccc34)ccc12
[H][C@@]12CC[C@@]([H])(N1c1ncc3[nH]nc(-c4cnn(c4)C4CCC4)c3n1)C(=O)N(C)C2 |r|
COCCCO[C@H]1CN([C@@H](CC(O)=O)[C@@H]1C)c1ccc(O[C@@H]2CCN(C[C@H]2C)c2cc(OC)ncc2Cl)cc1 |r|
COc1cc(N2CC[C@@H](Oc3ccc(cc3)N3N=C([C@@H](C)[C@@H]3CC(O)=O)C(F)(F)F)[C@H](C)C2)c(Cl)cn1 |r,c:18|
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1-c1nnn[nH]1
Cc1ccc(NC(=O)Nc2cc(cc3C(CCCOc23)c2ccccc2)-c2ccccc2-c2nn[nH]n2)cc1
C[C@H]1CC[C@@H](CC1)C(=O)N([C@H]1CCCN(C)C1=O)c1cc(sc1C(O)=O)C#CC(C)(C)C |r,wU:1.0,wD:4.7,10.10,(7.07,5.44,;6.16,4.2,;6.8,2.79,;5.9,1.54,;4.37,1.69,;3.73,3.1,;4.64,4.35,;3.47,.45,;4.1,-.95,;1.94,.6,;1.2,1.96,;2.01,3.28,;1.27,4.64,;-.27,4.68,;-1.08,3.36,;-2.63,3.41,;-.35,2,;-1.16,.68,;.77,-1.03,;-.76,-1.03,;-1.23,-2.49,;.02,-3.39,;1.26,-2.49,;2.73,-2.95,;3.86,-1.92,;3.05,-4.45,;-2.69,-2.98,;-4.14,-3.46,;-5.61,-3.94,;-7.07,-4.42,;-5.92,-5.44,;-6.75,-2.92,)|
C[C@H]1CC[C@@H](CC1)C(=O)N([C@H]1CCCCN(C)C1=O)c1cc(sc1C(O)=O)C#CC(C)(C)C |r,wU:1.0,wD:4.7,10.10,(7.07,5.44,;6.16,4.2,;6.8,2.79,;5.9,1.54,;4.37,1.69,;3.74,3.1,;4.64,4.35,;3.47,.45,;4.1,-.95,;1.94,.6,;1.2,1.96,;2.13,3.27,;1.69,4.71,;.3,5.33,;-1.03,4.66,;-1.34,3.08,;-2.84,2.7,;-.35,1.9,;-.97,.48,;.77,-1.03,;-.76,-1.03,;-1.23,-2.49,;.02,-3.39,;1.26,-2.49,;2.73,-2.95,;3.86,-1.92,;3.05,-4.45,;-2.69,-2.98,;-4.14,-3.46,;-5.61,-3.94,;-7.07,-4.42,;-5.92,-5.44,;-6.75,-2.92,)|
COCCCC(=O)NCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F |TLB:13:14:17:21.20.19,23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15|
CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCC(F)(F)CC1
CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCC2(CC2)CC1
CC(C)(C1CCC(CC1)NC(=O)c2cc3ccc(nc3nc2)C4CC4)O
CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nnco4)c(N[C@H](CO)c4ccccc4)n3)cc12 |r|
CC(C)(O)Cn1cc(cn1)-c1cnc2Nc3ccc(C#N)c(CCCCOc4ccccc4[C@@H](CO)Nc1n2)c3 |r|
Cc1nnc(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nc3cccnc23)s1 |r|
Cc1nc(NCc2cnn(C)c2)cc(OC[C@H]2C[C@@H]2c2ccccn2)n1 |r|
Cc1ccc(nc1)[C@H]2C[C@@H]2COc3cc(nc(n3)C)NCc4nnc(s4)C
Cc1c(c(c([nH]1)C(=O)Nc2nc3c(cc(cc3s2)C(=O)O)OCc4ccccc4)Cl)Cl
Cc1cc(\C=C\C#N)cc(C)c1Cc1nc(NC2CCN(Cc3ccc(cc3)C(N)=O)CC2)ncc1-c1cncnc1
Cc1cc(\C=C\C#N)cc(C)c1Cc1nc(NC2CCN(Cc3ccc(cc3)S(C)(=O)=O)CC2)ncc1-c1cncnc1
FC(F)Oc1cc(ccc1Cl)-n1cc(Cn2ccnc2)nn1
FC(F)Oc1cc(ccc1Cl)-n1cc(CNc2ncccn2)nn1
COCc1ccnc(OCc2cn(nn2)-c2ccc(F)c(OC(F)F)c2)n1
[H][C@]12CN(CC(C)(C)C(O)=O)C(=O)N1CCN(CC1=C([C@@H](NC(=N1)c1nccs1)c1cccc(F)c1C)C(=O)OCC)C2 |r,c:23,t:19|
CC(C)OC(=O)C1=C(C)Nc2nc3cc(F)c(F)cc3n2C1c1ccco1 |c:6|
CC(C)OC(=O)C1=C(C)Nc2nc3cc(F)ccc3n2C1c1ccco1 |c:6|
CC(C)OC(=O)C1=C(C)Nc2nc3cc(Cl)ccc3n2C1c1ccco1 |c:6|
CC(C)OC(=O)C1=C(C)Nc2nc3cc(Br)ccc3n2C1c1ccco1 |c:6|
CC(C)OC(=O)C1=C(C)Nc2nc3ccc(Cl)cc3n2C1c1ccco1 |c:6|
CC(C)OC(=O)C1=C(C)Nc2nc3cc(Cl)ccc3n2C1c1ccoc1 |c:6|
CC(C)OC(=O)C1=C(C)Nc2nc3cc(F)ccc3n2C1c1cocn1 |c:6|
Cc1ccc(cc1)-c1cc([nH]c(=O)c1-c1nnn[nH]1)-c1ccc(OCCCCCC(F)(F)F)cc1
CCn1ccc(n1)-c1cc([nH]c(=O)c1-c1nnn[nH]1)-c1ccc(OCCCC(F)(F)F)cc1
CCn1ccc(n1)-c1cc([nH]c(=O)c1-c1nnn[nH]1)-c1ccc(OCCCCCC(F)(F)F)cc1
CCc1ccc(s1)-c1cc([nH]c(=O)c1-c1nnn[nH]1)-c1ccc(OCCCC(F)(F)F)cc1
CCc1ccc(s1)-c1cc([nH]c(=O)c1-c1nnn[nH]1)-c1ccc(OCCCCCC(F)(F)F)cc1
FC(F)(F)CCCCCOc1ccc(cc1)-c1cc(-c2ccc(s2)C2CC2)c(-c2nnn[nH]2)c(=O)[nH]1
Fc1ccc(CNc2ccc3c(C4CCCC4)c(C#N)c(=O)n(CC4CCCC4)c3c2)nc1
CCc1ncc(-c2cc(C)no2)c(n1)C1CCN(CC(=O)N2CCOCC2)CC1
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@H](N1CC(F)F)c1c(F)cc(cc1F)N1CCC2(CCN(CC2)C(=O)CN2Cc3cc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c4cc3C2)CC1 |r|
COc1ccc(-c2csc(n2)-c2ccc(OC)cc2OC)c(OC)c1
COc1ccc(-c2nc(cs2)-c2cccnc2)c(OC)c1
COc1ccc(-c2nc(cs2)-c2ccc(cc2)C#N)c(OC)c1
COc1ccc(-c2nc(cs2)-c2ccc(O)cc2)c(OC)c1
COc1ccc(cc1)-c1csc(n1)-c1ccc(OC)cc1OC
COc1ccc(-c2nc(cs2)-c2ccc(F)cc2)c(OC)c1
O=C1N(N=C(\C1=N\Nc1nccs1)c1ccccc1)c1nc(cs1)-c1ccccc1 |c:3|
CN(C)C1CCN(CC1)C(=O)c1ccc(cc1)N1N=C(\C(=N\Nc2ccccc2)C1=O)c1ccccc1 |c:20|
[H][C@@]12CC[C@]3(Cc4c(C[C@@]3([H])N1CCc1c2[nH]c2ccccc12)[nH]c1ccc(OC)cc41)OC |r|
[H][C@]12COc3ccc4ccccc4c3[C@@]1([H])N=C1SC=C(N1C2(C)C)c1ccc(cc1)S(=O)(=O)N1CCOCC1 |r,c:22,t:19|
CNc1cc(nc2n1ncc2C(=O)N[C@@H]3C[C@@H]3F)NC4=CC=CN(C4=O)c5c(cccn5)F
CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nc2c(cnn12)C(=O)N[C@H]1CC[C@@H]1OC |r|
COc1cc(cc2CCN(CC(F)(F)F)C(=O)c12)-c1cnc(Nc2cc(nc(C)n2)N2CCN(C)CC2)s1
OC(=O)Cc1cc(Cl)cc(OCCC2(CCN(CC2)c2nc3ccc(Cl)cc3s2)C2CCCCC2)c1
OC(=O)Cc1ccc(Cl)c(OCCC2(CCN(CC2)c2nc3ccc(Cl)cc3s2)C2CCCCC2)c1
OC(=O)Cc1cc(Cl)cc(OCCC2(CCN(CC2)c2nc3ccc(Cl)cc3s2)N2CCCCC2)c1
OC(=O)Cc1cc(Cl)cc(OCCC2(CCN(CC2)c2nc3ccc(Cl)cc3s2)N2CCCCCC2)c1
OC(=O)Cc1cc(Cl)cc(OCCC2(CCN(CC2)c2nc3ccc(Cl)cc3s2)N2CCCC2)c1
CC1CCCN1C1(CCOc2cc(Cl)cc(CC(O)=O)c2)CCN(CC1)c1nc2ccc(Cl)cc2s1
CN(C)C1(CCOc2cc(Cl)cc(CC(O)=O)c2)CCN(CC1)c1nc2ccc(Cl)cc2s1
OC(=O)Cc1cc(Cl)cc(OCCC2(CCN(CC2)c2nc3ccc(cc3s2)C(F)(F)F)N2CCCC2)c1
OC(=O)Cc1cc(Cl)cc(OCCC2(CCN(CC2)c2nc3ccc(cc3s2)C(F)(F)F)N2CCOCC2)c1
Cc1cc(CC(O)=O)cc(OCCC2(CCN(CC2)c2nc3ccc(Cl)cc3s2)N2CCCC2)c1
Cc1ccc(CC(O)=O)cc1OCCC1(CCN(CC1)c1nc2ccc(Cl)cc2s1)N1CCCC1
OC(=O)Cc1cc(Cl)cc(OCCC2(CCN(CC2)c2nc3ccc(nc3s2)C(F)(F)F)N2CCCC2)c1
Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Fc1ccc(F)c(Sc2c(C3CC3)c(=O)[nH]c(=O)n2COCc2ccccc2)c1
C[C@@H]1COCCN1c1nc(nc2c1CN(C(=O)c1ccc3OCOc3c1)C2(C)C)-c1cccc2[nH]ccc12 |r|
C[C@@H]1COCCN1c1nc(nc2c1CN(C(=O)c1cccc(c1)S(C)(=O)=O)C2(C)C)-c1cccc2[nH]ccc12 |r|
CCC(=O)N1CCc2nc(Nc3ccc(cc3)C#N)nc(Oc3c(C)cc(cc3C)C#N)c2C1
Cc1cc(cc(c1Oc2c(c(nc(n2)Nc3ccc(cc3)C#N)N)Br)C)C#N
CCS(=O)(=O)Nc1cc(-c2c(C)nn(C)c2C)c(F)c(c1)-c1ccnc2nc[nH]c12 |(-6.58,2.24,;-5.25,3.01,;-3.91,2.24,;-4.68,.9,;-3.14,.9,;-2.58,3.01,;-1.24,2.24,;-1.24,.7,;.09,-.07,;.09,-1.61,;1.33,-2.52,;2.82,-2.12,;.86,-3.98,;-.68,-3.98,;-1.45,-5.31,;-1.16,-2.52,;-2.64,-2.12,;1.42,.7,;2.76,-.07,;1.42,2.24,;.09,3.01,;2.76,3.01,;2.76,4.54,;4.09,5.31,;5.42,4.55,;5.43,3.01,;6.58,1.98,;5.95,.56,;4.41,.73,;4.09,2.24,)|
C[C@H]1CC2(CN1c1ccc(C#N)c(Cl)c1)CCN(CC2)c1ccc(cc1)C(=O)N1CCN(CC1)C1CN(C1)c1ccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c2c1 |r|
[H][C@]12C[C@]([H])(CNC1)[C@]2(O)c1ccc(cc1)-c1cc(cc2cc(ccc12)-c1ccc(cc1)C(F)(F)F)C(O)=O |r|
C[C@H]1COCCN1c1nc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1cc[nH]n1 |r|
C[C@H]1COCCN1c1cc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1ccccn1 |r|
C[C@H]1COCCN1c1cc(N2CCOC[C@H]2C)c2nc(sc2n1)-c1cscn1 |r|
Nc1ncc(cc1OC(F)(F)F)-c1cn(c(n1)[C@@H](O)C(F)(F)F)C12CC(F)(C1)C2 |r|
Cc1cn(cn1)C1=CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)c1ccc(F)cc1 |r,t:7,13|
CC(C)C[C@@H](O)C(=O)N1CC2(CC2)C[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(F)(F)F |r|
CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)C
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4CCN(C(=O)CN5C[C@H](C)N[C@H](C)C5)c4cc3OC)ncc2N(C)C1=O |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4CCN(C(=O)CN5CCN(CC5)S(C)(=O)=O)c4cc3OC)ncc2N(C)C1=O |r|
C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(O[C@@H](O4)c5ccc(cc5)Cc6cccc(c6)N)C(=O)CO)CCC7=CC(=O)C=C[C@]37C)O
COC1CCN(CC1)c1cc(nc2n(nc(C3CCC3)c12)-c1ccc(F)cc1)C(=O)NS(=O)(=O)N(C)C
COc1cc(cc2CCN(CC(F)(F)F)C(=O)c12)-c1cnc2cc(OCCN3CCOCC3)ccn12
CC1(C)Cn2nc(c(c2CO1)-c1ccnc2[nH]ncc12)-c1ccc(F)cn1 |(15.2,-5.26,;14.79,-6.74,;16.27,-7.16,;13.46,-5.96,;12.12,-6.71,;10.66,-6.22,;9.74,-7.46,;10.63,-8.71,;12.1,-8.25,;13.43,-9.04,;14.77,-8.28,;10.22,-10.2,;8.72,-10.58,;8.31,-12.06,;9.39,-13.16,;10.88,-12.78,;12.2,-13.56,;13.37,-12.68,;12.83,-11.23,;11.29,-11.3,;8.2,-7.44,;7.42,-8.77,;5.88,-8.75,;5.12,-7.42,;3.58,-7.4,;5.91,-6.08,;7.45,-6.1,)|
[#6]-[#8]-c1c(-[#8]-[#6]-[#6]-2-[#6]-[#6]-2)cc2oc3cc4-[#8]C([#6])([#6])[#6]=[#6]-c4c(-[#8]-[#6]-c4ccncc4)c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] |c:20|
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccnnc3)c2c1