1723 SMILES Strings for Vasopressin V2 receptor

Compound Name
SMILES String
O[C@@H](Cn1c(nn(Cc2nc(no2)-c2ccccc2C(F)(F)F)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
O[C@@H](Cn1c(nn(Cc2nnc(o2)-c2ccccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
O[C@@H](Cn1c(nn(Cc2nnc(s2)-c2ccccc2C(F)(F)F)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
Fc1ccccc1Cn1c(nn(Cc2nnc(Cc3ccccc3C(F)(F)F)[nH]2)c1=O)-c1ccc(Cl)s1
OC(=O)c1cccc(Cn2c(nn(Cc3nnc(Cc4c(Cl)cccc4Cl)[nH]3)c2=O)-c2ccc(Cl)cc2)c1
COc1ccc(Cn2c(nn(Cc3nnc(Cc4c(Cl)cccc4Cl)[nH]3)c2=O)-c2ccc(Cl)cc2)cc1
O[C@@H](Cn1c(nn(Cc2nnc(Cc3ccccc3Cl)[nH]2)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
O[C@@H](Cn1c(nn(Cc2nnc(Cc3ccccc3F)[nH]2)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
O[C@@H](Cn1c(nn(Cc2nnc([nH]2)-c2ccccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
O[C@@H](Cn1c(nn(Cc2nc(-c3ccccc3Cl)n(CC(O)=O)n2)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
NC(=O)Cn1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nc1-c1ccccc1Cl |r|
FC(F)(F)CCn1c(nn(Cc2nnc(Cc3c(Cl)cccc3Cl)[nH]2)c1=O)-c1ccc(Cl)cc1
O[C@@H](Cn1c(nn(Cc2ccc(s2)-c2cccc(Cl)c2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
O[C@@H](Cn1c(nn(Cc2cnc(s2)-c2ccccc2C(F)(F)F)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
O[C@@H](Cn1c(nn(Cc2ncc(s2)-c2ccccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
O[C@@H](Cn1c(nn(Cc2cnc(o2)-c2cccc(Cl)c2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
FC(F)(F)c1cccc(Cc2cnc(Cn3nc(-c4ccc(Cl)cc4)n(C4CC4)c3=O)s2)c1
FC(F)(F)c1cccc(Cc2cnc(Cn3nc(-c4ccc(Cl)cc4)n(C4CC4)c3=O)[nH]2)c1
OC(Cn1c(nn(Cc2cncc(c2)-c2ccccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
O[C@@H](Cn1c(nn(Cc2ccnc(c2)-c2ccccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
O[C@@H](Cn1c(nn(Cc2ccnc(n2)-c2ccccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
O[C@@H](Cn1c(nn(Cc2cc(ncn2)-c2cccc(Cl)c2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
O[C@@H](Cn1c(nn(Cc2cn(nn2)-c2ccccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
O[C@@H](Cn1c(nn(Cc2cn(cn2)-c2ccccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
O[C@@H](Cn1c(nn(Cc2cnn(c2)-c2ccccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
Clc1ccc(cc1)-c1nn(Cc2cncn2Cc2c(Cl)cccc2Cl)c(=O)n1CC=C
OC(Cn1c(nn(c1=O)S(=O)(=O)c1ncnn1Cc1ccccc1C(F)(F)F)-c1ccc(Cl)cc1)C(F)(F)F
OC(Cn1c(nn(Cc2cccc(c2)-c2ccccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
OC(Cn1c(nn(Cc2cc(ccc2C(O)=O)-c2ccccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
NC(=O)c1ccc(cc1Cn1nc(-c2ccc(Cl)cc2)n(CC(O)C(F)(F)F)c1=O)-c1ccccc1Cl
CC(C)[C@@H]4NC(=O)[C@H](Cc1cccs1)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC4=O
CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(C)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)CCCNC(N)=N |r|
CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r|
CCCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r|
CC(C)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r|
CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)CCCNC(N)=N |r|
CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)NCCCCNC(N)=N |r|
CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)NCCCCNC(N)=N |r|
CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)NCCCCNC(N)=N |r|
CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)NCCCCNC(N)=N |r|
CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NC1CC1 |r|
CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC1CC1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCc1ccccc1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
CCCCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r|
CC(C)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r|
CC(C)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N$|
CCc1ccc(C[C@@H]2NC(=O)CCSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3cccs3)NC2=O)C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)CCCNC(N)=N)cc1 |r|
CC(C)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N$|
CC(C)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r|
CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r|
CCN(CC)C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N$|
CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)CCCNC(N)=N |r|
CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)CCCNC(N)=N |r|
CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)CCCNC(N)=N |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCSCC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)CCCNC(N)=N |r|
CC(C)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N$|
CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r|
CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N$|
CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r|
CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N$|
CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r|
CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r|
CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r|
CCCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r|
CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CSC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCc1cccs1 |r|
CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CSC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCc1cccs1 |r|
CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CSC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCc1ccccc1 |r|
CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CSC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCc1ccccc1 |r|
CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CSC[C@H]1C(=O)NCCCCNC(N)=N |r|
CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CSC[C@H]1C(=O)NCCCCNC(N)=N |r|
[#7]-[#6](=O)-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O
[#6]-[#6](-[#6])-[#6]-1-[#7]-[#6](=O)-[#6](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#6]-[#16]-[#16]-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#7])=O)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O
[#7]-[#6@H]-1-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O
Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCCO)c3ccccc23)c(Cl)c1
Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCCO)c3ccccc23)c(c1)C(F)(F)F
C[C@@H]1CCN(C1)c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCCO)c3ccccc23)c(Cl)c1 |r|
C[C@@H]1CCN(C1)c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCCO)c3ccccc23)c(c1)C(F)(F)F |r|
C[C@H]1CCN(C1)c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCCO)c3ccccc23)c(Cl)c1 |r|
C[C@H]1CCN(C1)c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCCO)c3ccccc23)c(c1)C(F)(F)F |r|
Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1
Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3cccnc3)c3ccccc23)c(Cl)c1
Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccncc3)c3ccccc23)c(Cl)c1
Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccc3)c3ccccc23)c(Cl)c1
Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3cccc(C)n3)c3ccccc23)c(Cl)c1
COc1cccc(CNC(=O)\C=C2\c3ccccc3N(CCC2(F)F)C(=O)c2ccc(cc2Cl)-n2ccc(C)n2)n1
Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3cccc(N)n3)c3ccccc23)c(Cl)c1
CN(C)c1cccc(CNC(=O)\C=C2\c3ccccc3N(CCC2(F)F)C(=O)c2ccc(cc2Cl)-n2ccc(C)n2)n1
Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3cccc(n3)C#N)c3ccccc23)c(Cl)c1
Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3cnccn3)c3ccccc23)c(Cl)c1
Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3cccnn3)c3ccccc23)c(Cl)c1
Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccncn3)c3ccccc23)c(Cl)c1
Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3nccs3)c3ccccc23)c(Cl)c1
Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3nc4ccccc4s3)c3ccccc23)c(Cl)c1
Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3nc4ccccc4[nH]3)c3ccccc23)c(Cl)c1
Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccco3)c3ccccc23)c(Cl)c1
Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(O)=O)c3ccccc23)c(Cl)c1
Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(N)=O)c3ccccc23)c(Cl)c1
CCCNC(=O)\C=C1\c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1Cl)-n1ccc(C)n1
CN(C)CCNC(=O)\C=C1\c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1Cl)-n1ccc(C)n1
Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCC(O)=O)c3ccccc23)c(Cl)c1
Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCC(N)=O)c3ccccc23)c(Cl)c1
FC1(F)CCN(C(=O)c2ccc(cc2Cl)-n2cccn2)c2ccccc2\C1=C\C(=O)NCc1ccccn1
CCc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1
CC(C)c1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1
FC1(F)CCN(C(=O)c2ccc(cc2Cl)-n2ccc(n2)-c2ccccc2)c2ccccc2\C1=C\C(=O)NCc1ccccn1
Cc1cc(C)n(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1
Cc1ccnn1-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1
FC1(F)CCN(C(=O)c2ccc(cc2Cl)-n2cc3ccccc3n2)c2ccccc2\C1=C\C(=O)NCc1ccccn1
FC1(F)CCN(C(=O)c2ccc(cc2Cl)N2CCCC2)c2ccccc2\C1=C\C(=O)NCc1ccccn1
CC1CCN(C1)c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1
CC1CCCN1c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1
FC1(F)CCN(C(=O)c2ccc(cc2Cl)N2CCCCC2)c2ccccc2\C1=C\C(=O)NCc1ccccn1
FC1(F)CCN(C(=O)c2ccc(cc2Cl)N2CCCCCC2)c2ccccc2\C1=C\C(=O)NCc1ccccn1
CN(C)C1CCN(C1)c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1
CN1CCN(CC1)c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1
FC1(F)CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2\C1=C\C(=O)NCc1ccccn1
CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2cccc(Cl)c12
CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccc(Cl)cc12
CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2cc(Cl)ccc12
CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2c(Cl)cccc12
CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc12
CNC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccc(Cl)cc12
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC(NCC=C)c2cc(Cl)ccc12
CN(CC=C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccc(Cl)cc12
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC(O)c2cc(Cl)ccc12
COC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccc(Cl)cc12
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC(OCC=C)c2cc(Cl)ccc12
Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc23)c(Cl)c1
Cc1ccccc1C(=O)Nc1ccc(cc1Cl)C(=O)N1CCCC(O)c2cc(Cl)ccc12
Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc23)c(C)c1
COc1cc(NC(=O)c2ccccc2C)ccc1C(=O)N1CCCC(O)c2cc(Cl)ccc12
COc1cc(ccc1NC(=O)c1ccccc1C)C(=O)N1CCCC(O)c2cc(Cl)ccc12
CCC(C)C1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O |wU:8.8,46.55,wD:26.28,19.24,38.46,c:44,53,(3.12,-16.88,;2.34,-15.35,;.78,-14.1,;.78,-15.49,;.62,-12.72,;.52,-11.33,;.52,-9.95,;1.56,-11.19,;.78,-8.56,;1.56,-9.81,;2.6,-10.95,;1.87,-12.58,;3.9,-13.72,;5.46,-15.25,;5.46,-13.86,;3.12,-12.34,;.52,-7.17,;1.04,-5.65,;1.56,-7.03,;1.56,-4.26,;1.73,-5.41,;.35,-5.79,;.52,-4.4,;.62,-3.01,;.78,-1.63,;1.87,-2.88,;3.12,,;3.9,-1.25,;5.61,-3.01,;4.68,-4.4,;5.2,-5.54,;5.72,-7.03,;5.89,-5.79,;5.72,-4.26,;2.34,-1.49,;4.37,-2.77,;3.12,-2.63,;3.64,-4.16,;2.6,-4.02,;3.81,-5.65,;4.68,-7.17,;5.46,-8.32,;3.64,-6.93,;3.12,-5.79,;2.6,-6.79,;3.9,-8.18,;2.34,-8.42,;4.68,-9.95,;5.72,-11.19,;5.61,-12.72,;4.68,-11.33,;3.64,-9.7,;3.64,-11.09,;4.37,-12.48,)|
CCC(C)C1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]2CC(CN(C)C)CNN2C(=O)[C@H]2CCC=NN2C1=O |c:57|
CC(C=C)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C1CCCN1C(=O)C(N)Cc1cnc[nH]1)C(=O)N1CCCCC1(C=O)C(=O)N1CCCCC1
CCC(C)C1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)C(Cc2ccccc2)N(C)C(=O)[C@H]2CCC=NN2C1=O |c:44|
CCC(C)C(N)C(=O)N(C(Cc1c[nH]c2ccccc12)C=O)C(=O)C1CCCN1C(=O)C(CC1=CC=CCC1(C(=O)N1CCNCC1)C(=O)N1CC=CC=C1)NC |c:38,56,58,t:36|
CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCC=NN2C1=O |c:55|
CCC(C)C(NC(=O)C(N)Cc1ccc2ccccc2c1)C(=O)C1(CCCN1C(=O)C(N)CC1=NC(N=C1)(C(=O)N1CCCCC1)C(=O)N1CCCCC1)C=O |c:39,t:36|
Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
[#6]-[#8]-c1ccc(-[#6]-[#6]-2-[#7]-[#6](=O)-[#6]C3([#6]-[#6]-[#6]-[#6]-[#6]3)[#16]-[#16]-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6](-[#6]-c3ccccc3)-[#7]-[#6]-2=O)-[#6](=O)-[#7]-2-[#6]-[#6]-[#6]-[#6]-2-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O)cc1
[#7]-[#6](=O)-[#6]-[#6]-[#6]-1-[#7]-[#6](=O)-[#6](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#6]-[#16]-[#16]-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#7])=O)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O
CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
CCC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CSSCC(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCCC1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Cc1nc-2c(CCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc-23)[nH]1
Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1 |r,TLB:21:22:28:26.25|
Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1
CC(CF)NCC(O)COc1cccc2[nH]c3ccccc3c12
COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC |r|
Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)|
[#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,THB:38:37:6.8.14:22.23.29|
Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c1c1c5c(c(O)cc(O)c5c4=O)c4c(O)cc(O)c(c4c31)c2=O
OCC1OC(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C(O)C1O
OCC1OC(O)C(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C1O
c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
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
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
NC(CSSCC(N)C(O)=O)C(O)=O
N[C@H](CCS(O)(=O)=O)C(O)=O |r|
N[C@H](CCS(O)=O)C(O)=O |r|
CSCC[C@H](C(=O)O)N
C(CS(=O)(=O)O)[C@@H](C(=O)O)N
C(CS)[C@@H](C(=O)O)N
C([C@H](C(=O)O)N)S(=O)(=O)O
C([C@@H](C(=O)O)N)S
NC(CS(O)=O)C(O)=O
C(CS(=O)(=O)O)[C@@H](C(=O)O)N
N[C@@H](CCS(O)=O)C(O)=O |r|
CO\N=C1\C[C@H](N(C1)C(=O)c1ccc(cc1)-c1ccccc1C)C(=O)NC[C@@H](O)c1ccccc1 |r|
CCOc1ccc(CC2NC(=O)CCSSCC(NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(NC2=O)C(C)CC)C(C)O)C(=O)N2CCCC2C(=O)NC(CCCN)C(=O)NCC(N)=O)cc1
CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC1=O)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NCC(N)=O
CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
NC(=O)OCC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1C(F)(F)F |r|
NC(=O)OCC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl |r|
NC(=O)OCC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(c1)C(F)(F)F |r|
CCNC(=O)OCC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(c1)C(F)(F)F |r|
CC(C)(C)OC(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1C(F)(F)F |r|
CC(C)(C)OC(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(Cl)c1Cl |r|
CS(=O)(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl |r|
NC(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl |r|
O[C@@H](Cn1c(nn(CC(=O)NCC(NC=O)c2cccc(c2)C(F)(F)F)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
CC(=O)NC(C)(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(c1)C(F)(F)F |r|
NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1C(F)(F)F |r|
NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl |r|
NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(Cl)c1Cl |r|
OC[C@@H](Cc1cccc(c1)C(F)(F)F)NC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O |r|
NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(Cc2ccccc2F)c1=O)c1ccccc1Cl
NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(CCC(F)(F)F)c1=O)c1ccccc1Cl
COCCn1c(nn(CC(=O)NCC(NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)c1=O)-c1ccc(Cl)s1
CC(C)(C)OC(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)s2)n(Cc2ccccc2F)c1=O)c1ccccc1C(F)(F)F
COCCn1c(nn(CC(=O)NCC(NS(C)(=O)=O)c2ccccc2C(F)(F)F)c1=O)-c1ccc(Cl)s1
CC(=O)c1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nn1-c1cccc(Cl)c1 |r|
CC(=O)c1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nn1-c1cccc(F)c1 |r|
CC(=O)c1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nn1-c1ccccc1Cl |r|
CC(=O)c1nc(Cn2nc(-c3ccc(Cl)cc3)n(CC(=O)C(F)(F)F)c2=O)nn1-c1cccc(Cl)c1
CC(O)c1nc(Cn2nc(-c3ccc(Cl)cc3)n(CC(=O)C(F)(F)F)c2=O)nn1-c1cccc(Cl)c1
COC(=O)Cn1nc(nc1Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)-c1ccccc1Cl |r|
COCc1nnc(N2CC(C2)c2ccnc3cc(F)ccc23)n1-c1ccc(OC)nc1
COCc1nnc(N2CC(C2)c2cccc3cc(F)ccc23)n1-c1ccc(OC)nc1
COCc1nnc(N2CC(C2)c2csc3cc(F)ccc23)n1-c1ccc(OC)nc1
COCc1nnc(N2CC(C2)n2cc(Cl)c3cc(F)ccc23)n1-c1ccc(OC)nc1
COCc1nnc(N2CC(C2)c2coc3cc(F)ccc23)n1-c1ccc(OC)nc1
COCc1nnc(N2CC(C2)c2cn(C)c3cc(F)ccc23)n1-c1ccc(OC)nc1
COCc1nnc(N2CC(C2)n2cc(C)c3cc(F)ccc23)n1-c1ccc(OC)nc1
COCc1nnc(N2CC(C2)N2C(=O)COc3cc(F)ccc23)n1-c1ccc(OC)nc1
COCc1nnc(N2CC(C2)C2CCOc3cc(F)ccc23)n1-c1ccc(OC)nc1
COCc1nnc(N2CC(C2)N2CCc3cc(F)ccc23)n1-c1ccc(OC)nc1
COCc1nnc(N2CC(C2)N2CCOc3cc(F)ccc23)n1-c1ccc(OC)nc1
CCOCc1nnc(N2CC(C2)N2CCCc3cc(F)ccc23)n1-c1ccc(OC)nc1
CCOCc1nnc(N2CC(C2)N2CCCc3cc(F)ccc23)n1-c1ccc2OCOc2c1
COc1ccc(cn1)-n1c(C)nnc1N1CC(C1)N1CCCc2cc(F)ccc12
COCc1nnc(N2CC(C2)N2CCCc3cc(F)ccc23)n1-c1ccc(OC)nc1
CCOCc1nnc(N2CC(C2)N2CCOc3cc(F)ccc23)n1-c1ccc(OC)nc1
COc1ccc(cn1)-n1c(C)nnc1N1CC(C1)N1CCOc2cc(F)ccc12
FC(F)(F)C(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)NC(=O)C1COC1
FC(F)(F)C(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)NC(=O)C1CNC(=O)N1
FC(F)(F)C(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)NC(=O)C1CCO1
CC(=O)NC(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
FC(F)(F)C(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)NC(=O)CC#N
COCC(=O)NC(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
FC(F)(F)C(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)NC(=O)C1CC1(F)F
FCC(=O)NC(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
CC(F)(F)C(=O)NC(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
CC(F)C(=O)NC(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
FC(F)(F)CC(=O)NC(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
FC1CC1C(=O)NC(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
CCC(=O)NC(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
FC(F)(F)C(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)NC(=O)C1CC1
FC(F)(F)C(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)NC(=O)C1CC(F)(F)C1
CC(=O)OC(C)(C)C(=O)NC(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
CC(C)(O)C(=O)NC(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
FC(F)(F)C(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)NC(=O)C1CC1C(F)(F)F
CS(=O)(=O)NCC(=O)NC(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
FC(F)(F)C(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)NC(=O)CN1CCOC1=O
FC(F)(F)C(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)NC(=O)C1(CC1)C#N
OC1(CC1)C(=O)NC(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
CC(C)(C)OC(=O)N1CCC(C1)C(=O)NC(CN(C(=O)NCc1ncn(n1)-c1ncccc1Cl)C(=N)c1ccc(Cl)cc1)C(F)(F)F
FC(F)(F)C(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)NC(=O)C1CCNC1
FC(F)(F)\C=C\C(=O)NC(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
CC(C)(C)OC(=O)NC1(CC1)C(=O)NC(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
NC1(CC1)C(=O)NC(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
CC(C)(C)OC(=O)NC1(CCC1)C(=O)NC(CN(C(=O)NCC1NN(C=N1)c1ncccc1Cl)C(=N)c1ccc(Cl)cc1)C(F)(F)F |c:26|
NC1(CCC1)C(=O)NC(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
FC(F)(F)C(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)NC(=O)C1CCS(=O)(=O)C1
F\[#6](F)=[#6](/F)-[#6]-[#6](=O)-[#7]-[#6](-[#6]-n1c(nn(-[#6]-c2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
FC(F)(F)CCC(=O)NC(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
FC(F)(F)CCC(=O)N[C@H](Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
FC(F)(F)CCC(=O)N[C@@H](Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
FC(F)(F)[C@H](CN(C(=O)NCc1ncn(n1)-c1ncccc1Cl)C(=N)c1ccc(Cl)cc1)NC(=O)[C@@H]1CCC(=O)N1 |r|
FC(F)(F)[C@@H](CN(C(=O)NCc1ncn(n1)-c1ncccc1Cl)C(=N)c1ccc(Cl)cc1)NC(=O)[C@@H]1CCC(=O)N1 |r|
FC(F)(F)C(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)NC(=O)C1CS(=O)(=O)C1
FC(F)(F)[C@@H](Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)NC(=O)C1CS(=O)(=O)C1 |r|
FC(F)(F)[C@H](Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)NC(=O)C1CS(=O)(=O)C1 |r|
FC(F)(F)C(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)NC(=O)C1(CC1)C(F)(F)F
FC(F)(F)[C@@H](Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)NC(=O)C1(CC1)C(F)(F)F |r|
FC(F)(F)[C@H](Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)NC(=O)C1(CC1)C(F)(F)F |r|
CS(=O)(=O)CC(=O)NC(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
CS(=O)(=O)CC(=O)N[C@H](Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
CS(=O)(=O)CC(=O)N[C@@H](Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
FC(F)(F)C(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)NC(=O)C1CCCN1
F[C@H]1CNC(C1)C(=O)NC(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
F[C@@H]1CNC(C1)C(=O)NC(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
FC(F)(F)C(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)NC(=O)[C@H]1CC(CN1)C(F)(F)F |r|
FC(F)(F)C(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)NC(=O)C1CCNC1=O
FC(F)(F)C(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)NC(=O)c1ccc(Cl)s1
FC(F)(F)C(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)NC(=O)C1CC(F)(F)CN1
CC(C)(C)OC(=O)N1CC(F)(F)C1C(=O)NC(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
FC(F)(F)C(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)NC(=O)C1NCC1(F)F
CC(C)(C)OC(=O)N1CCC1C(=O)NC(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
FC(F)(F)C(Cn1c(nn(Cc2ncn(n2)-c2ncccc2Cl)c1=O)-c1ccc(Cl)cc1)NC(=O)C1CCN1
FC(F)(F)C(Cn1c(nn(Cc2ncn(n2)-c2ncccc2C(F)(F)F)c1=O)-c1ccc(Cl)cc1)NC(=O)C1(CC1)C(F)(F)F
FC(F)(F)CCC(=O)NC(Cn1c(nn(Cc2ncn(n2)-c2ncccc2C(F)(F)F)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
CC(F)(F)C(=O)NC(Cn1c(nn(Cc2ncn(n2)-c2ncccc2C(F)(F)F)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
FCC(=O)NC(Cn1c(nn(Cc2ncn(n2)-c2ncccc2C(F)(F)F)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
FC(F)(F)C(Cn1c(nn(Cc2ncn(n2)-c2ncccc2C(F)(F)F)c1=O)-c1ccc(Cl)cc1)NC(=O)C1CS(=O)(=O)C1
FC(F)(F)C(Cn1c(nn(Cc2ncn(n2)-c2ncccc2C(F)(F)F)c1=O)-c1ccc(Cl)cc1)NC(=O)C1CC(F)(F)C1
CS(=O)(=O)CC(=O)NC(Cn1c(nn(Cc2ncn(n2)-c2ncccc2C(F)(F)F)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
FC(F)(F)C(Cn1c(nn(Cc2ncn(n2)-c2ncccc2C(F)(F)F)c1=O)-c1ccc(Cl)cc1)NC(=O)C1(CC1)C#N
FC(F)(F)C(Cn1c(nn(Cc2ncn(n2)-c2ncccc2C(F)(F)F)c1=O)-c1ccc(Cl)cc1)NC(=O)C1CC1(F)F
FC(F)(F)CC(=O)NC(Cn1c(nn(Cc2ncn(n2)-c2ncccc2C(F)(F)F)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
COCC(=O)NC(Cn1c(nn(Cc2ncn(n2)-c2ncccc2C(F)(F)F)c1=O)-c1ccc(Cl)cc1)C(F)(F)F
FC(F)(F)C(Cn1c(nn(Cc2ncn(n2)-c2ncccc2C(F)(F)F)c1=O)-c1ccc(Cl)cc1)NC(=O)C1NCC1(F)F
F[C@H]1CN[C@@H](C1)C(=O)NC(Cn1c(nn(Cc2ncn(n2)-c2ncccc2C(F)(F)F)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
F[C@@H]1CN[C@@H](C1)C(=O)NC(Cn1c(nn(Cc2ncn(n2)-c2ncccc2C(F)(F)F)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
CN1Cc2nnc(C3CC4(C3)CN(C4)c3ccc(F)cn3)n2-c2ccc(Cl)cc2C1
CN1Cc2nnc(C3CC4(C3)CN(C4)c3ccccn3)n2-c2ccc(Cl)cc2C1
CN1Cc2nnc(C3CC4(C3)CN(C4)c3cnccn3)n2-c2ccc(Cl)cc2C1
CN1Cc2nnc(C3CC4(C3)CN(C4)c3ncccc3F)n2-c2ccc(Cl)cc2C1
CN1Cc2nnc(C3CC4(C3)CN(C4)c3cccc(F)n3)n2-c2ccc(Cl)cc2C1
CN1Cc2nnc(C3CC4(C3)CN(C4)C(=O)C3CC3)n2-c2ccc(Cl)cc2C1
COCCN1Cc2nnc(C3CC4(C3)CN(C4)c3ccccn3)n2-c2ccc(Cl)cc2C1
Clc1ccc-2c(CN(Cc3nnc(C4CC5(C4)CN(C5)c4ccccn4)n-23)C2CCC2)c1
Fc1ccc(nc1)N1CC2(CC(C2)c2nnc3CN(Cc4cc(Cl)ccc4-n23)C2CCC2)C1
CCN1Cc2nnc(C3CC4(C3)CN(C4)c3ccccn3)n2-c2ccc(Cl)cc2C1
CCN1Cc2nnc(C3CC4(C3)CN(C4)c3cnccn3)n2-c2ccc(Cl)cc2C1
CC(C)N1Cc2nnc(C3CC4(C3)CN(C4)c3cnccn3)n2-c2ccc(Cl)cc2C1
CC(C)N1Cc2nnc(C3CC4(C3)CN(C4)c3ccccn3)n2-c2ccc(Cl)cc2C1
CCN1Cc2nnc(C3CC4(C3)CN(C4)c3ccc(F)cn3)n2-c2ccc(Cl)cc2C1
CC(C)N1Cc2nnc(C3CC4(C3)CN(C4)c3ccc(F)cn3)n2-c2ccc(Cl)cc2C1
FC(F)CN1Cc2nnc(C3CC4(C3)CN(C4)c3ccccn3)n2-c2ccc(Cl)cc2C1
CC(C)N1Cc2nnc(C3CC4(C3)CN(C4)c3ncccc3F)n2-c2ccc(Cl)cc2C1
Clc1ccc-2c(CN(Cc3nnc(C4CC5(C4)CN(C5)c4ccccn4)n-23)C2CC2)c1
Clc1ccc-2c(CN(Cc3nnc(C4CC5(C4)CN(C5)c4ccccn4)n-23)C2COC2)c1
CC(CF)N1Cc2nnc(C3CC4(C3)CN(C4)c3ccccn3)n2-c2ccc(Cl)cc2C1
FCCN1Cc2nnc(C3CC4(C3)CN(C4)c3ccccn3)n2-c2ccc(Cl)cc2C1
COC(=O)N1Cc2nnc(C3CC4(C3)CN(C4)c3ccc(F)cn3)n2-c2ccc(Cl)cc2C1
CC(C)C(=O)N1Cc2nnc(C3CC4(C3)CN(C4)c3ccc(F)cn3)n2-c2ccc(Cl)cc2C1
CC(=O)N1Cc2nnc(C3CC4(C3)CN(C4)c3ccc(F)cn3)n2-c2ccc(Cl)cc2C1
CCC(=O)N1Cc2nnc(C3CC4(C3)CN(C4)c3ccccn3)n2-c2ccc(Cl)cc2C1
CCOC(=O)N1Cc2nnc(C3CC4(C3)CN(C4)c3ccc(F)cn3)n2-c2ccc(Cl)cc2C1
COC(=O)N1Cc2nnc(C3CC4(C3)CN(C4)c3ccccn3)n2-c2ccc(Cl)cc2C1
CC(C)C(=O)N1Cc2nnc(C3CC4(C3)CN(C4)c3ccccn3)n2-c2ccc(Cl)cc2C1
CCC(=O)N1Cc2nnc(C3CC4(C3)CN(C4)c3ccc(F)cn3)n2-c2ccc(Cl)cc2C1
CC(CF)OC(=O)N1Cc2nnc(C3CC4(C3)CN(C4)c3ccc(F)cn3)n2-c2ccc(Cl)cc2C1
FCC(CF)OC(=O)N1Cc2nnc(C3CC4(C3)CN(C4)c3ccc(F)cn3)n2-c2ccc(Cl)cc2C1
FC1(CC1)C(=O)N1Cc2nnc(C3CC4(C3)CN(C4)c3cnccn3)n2-c2ccc(Cl)cc2C1
Fc1ccc(nc1)N1CC2(CC(C2)c2nnc3CN(Cc4cc(Cl)ccc4-n23)C(=O)OC2CC2)C1
FC(F)C(=O)N1Cc2nnc(C3CC4(C3)CN(C4)c3ccccn3)n2-c2ccc(Cl)cc2C1
FC(F)C(=O)N1Cc2nnc(C3CC4(C3)CN(C4)C(=O)C3(F)CC3)n2-c2ccc(Cl)cc2C1
FC1(CC1)C(=O)N1Cc2nnc(C3CC4(C3)CN(C4)C(=O)C3CC3)n2-c2ccc(Cl)cc2C1
COC(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C1C)C1CC2(C1)CN(C2)c1ccc(F)cn1
CC(C)OC(=O)N1Cc2nnc(C3CC4(C3)CN(C4)C(=O)C3CC3)n2-c2ccc(Cl)cc2C1
CC(C)OC(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C1C)C1CC2(C1)CN(C2)c1ccc(F)cn1
CC(C)OC(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C1C)C1CC2(C1)CN(C2)c1cnccn1
COC(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C1C)C1CC2(C1)CN(C2)c1cnccn1
COC(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C1C)C1CC2(C1)CN(C2)c1ncccn1
CC(C)OC(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C1C)C1CC2(C1)CN(C2)c1ncccn1
CCOC(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C1C)C1CC2(C1)CN(C2)c1ncccn1
CCOC(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C1C)C1CC2(C1)CN(C2)c1ccc(F)cn1
COC(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C1C)C1CC2(C1)CN(C2)c1ncc(F)cn1
CC1N(Cc2cc(Cl)ccc2-n2c(nnc12)C1CC2(C1)CN(C2)c1ncccn1)C(=O)OC1CC1
CCOC(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C1C)C1CC2(C1)CN(C2)c1ncc(F)cn1
CC1N(Cc2cc(Cl)ccc2-n2c(nnc12)C1CC2(C1)CN(C2)c1ncc(F)cn1)C(=O)OC1(C)CC1
CC1N(Cc2cc(Cl)ccc2-n2c(nnc12)C1CC2(C1)CN(C2)c1ccc(F)cn1)C(=O)C1(F)CC1
CC1N(Cc2cc(Cl)ccc2-n2c(nnc12)C1CC2(C1)CN(C2)c1ncccn1)C(=O)C1(F)CC1
CC1N(Cc2cc(Cl)ccc2-n2c(nnc12)C1CC2(C1)CN(C2)c1cnccn1)C(=O)C1(F)CC1
CC1N(Cc2cc(Cl)ccc2-n2c(nnc12)C1CC2(C1)CN(C2)c1ccc(F)cn1)C(=O)C(C)(C)F
CC1N(C)Cc2cc(Cl)ccc2-n2c(nnc12)C1CC2(C1)CN(C2)c1ccc(F)cn1
COC(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C1C)C1CC2(C1)CN(C2)c1cccc(C)n1
CC1N(Cc2cc(Cl)ccc2-n2c(nnc12)C1CC2(C1)CN(C2)c1ccccn1)C(=O)C1(F)CC1
COC(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C1C)C1CC2(C1)CN(C2)c1ncccc1F
CC1N(Cc2cc(Cl)ccc2-n2c(nnc12)C1CC2(C1)CN(C2)c1ccc(F)cn1)C(=O)OC1CC1
CC1N(Cc2cc(Cl)ccc2-n2c(nnc12)C1CC2(C1)CN(C2)c1ncc(F)cn1)C(=O)OC1CC1
CC1N(Cc2cc(Cl)ccc2-n2c(nnc12)C1CC2(C1)CN(C2)c1ncc(F)cn1)C(=O)OC(CF)CF
FC(F)(F)C(=O)N1Cc2onc(C3CC4(C3)CN(C4)c3cccnn3)c2-c2ccc(Cl)cc2C1
CC(C)OC(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C1C)C1CC2(C1)CN(C2)c1ncc(F)cn1
CC1N(Cc2cc(Cl)ccc2-n2c(nnc12)C1CC2(C1)CN(C2)c1ncccn1)C(=O)OC(CF)CF
CC1N(Cc2cc(Cl)ccc2-n2c(nnc12)C1CC2(C1)CN(C2)c1ccc(F)cn1)C(=O)OC(CF)CF
Fc1ccc(nc1)N1CC2(CC(C2)c2nnc3CN(Cc4cc(Cl)ccc4-n23)C2CC2)C1
Cc1nc(ccc1F)N1CC2(CC(C2)c2nnc3CN(Cc4cc(Cl)ccc4-n23)C2CC2)C1
CC1(CC1)N1Cc2nnc(C3CC4(C3)CN(C4)c3ccc(F)cn3)n2-c2ccc(Cl)cc2C1
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC(O)c2ccccc12
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](O)c2ccccc12 |r|
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC(O)c2c(C)cccc12
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](O)c2c(C)cccc12 |r,@@:18|
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](O)c2c(C)cccc12 |r,@:18|
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](O)c2cccc(C)c12 |r,@@:18|
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](O)c2cccc(C)c12 |r,@:18|
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](O)c2ccccc12 |r|
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC(O)c2cccc(C)c12
CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C(Br)C(Br)c1ccccc31)C(=O)C2
N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2cccc(CSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)c2 |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccc(SC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)cc2 |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r|
CC[C@H](C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCNCN2C1=O
[H][C@@]12CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@]1([H])CCCCN1C(=O)[C@@]1([H])CCCCN1C(=O)[C@@]([H])(NC(=O)[C@@H](Cc1ccc(OCC)cc1)NC2=O)[C@@H](C)CC
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]2CCCCN2C(=O)[C@@H]2CCCCN2C1=O
CC[C@@H](C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCNCN2C1=O
CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O
CC[C@H](C)[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
CC[C@H](C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
[H][C@@]12CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@]1([H])CCCCN1C(=O)[C@@]1([H])CCCCN1C(=O)[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NC2=O
[H][C@@]12CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](CCCN)NC(=O)[C@@]1([H])CCCCN1C(=O)[C@]([H])(NC(=O)[C@@H](Cc1c[nH]c3ccccc13)NC2=O)[C@H](C)CC
CC[C@@H](C)[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[N@]2CCN(CC2)C(=O)[C@H]2CCCCN2C1=O |wU:22.28,41.45,2.2,wD:49.59,8.8,29.32,4.3,(9.24,2.73,;8.98,1.22,;10.17,.22,;11.61,.75,;9.89,-1.3,;8.35,-1.3,;6.91,-1.82,;6.13,-.49,;5.72,-2.82,;4.54,-1.82,;4.82,-.3,;6.21,.36,;5.98,1.9,;4.47,2.16,;3.65,3.47,;2.12,3.42,;1.39,2.05,;2.21,.75,;3.74,.81,;4.97,-4.15,;4.69,-5.67,;3.15,-5.67,;4.97,-7.19,;3.45,-7.5,;3.28,-9.04,;4.69,-9.65,;5.72,-8.52,;6.91,-9.5,;6.13,-10.83,;8.35,-10.04,;8.09,-11.54,;6.63,-12.07,;5.47,-11.07,;4.02,-11.61,;3.74,-13.13,;4.93,-14.11,;6.37,-13.59,;9.89,-10.04,;10.17,-11.54,;11.42,-10.22,;11.74,-11.59,;12.31,-9.04,;11.72,-7.61,;12.66,-6.37,;14.18,-6.56,;14.77,-7.98,;13.85,-9.22,;13.55,-5.67,;15.09,-5.67,;13.29,-4.15,;14.83,-4.15,;15.61,-2.82,;14.83,-1.49,;13.29,-1.49,;12.52,-2.82,;11.33,-1.82,;12.11,-.49,)|
[H][C@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@]1([H])CCCCN1C(=O)[C@]1([H])CCCCN1C(=O)[C@@]([H])(NC(=O)[C@H](Cc1ccc3ccccc3c1)NC2=O)[C@@H](C)CC
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]2CCCCN2C(=O)[C@@H]2CCNCN2C1=O
[H][C@@]12CCCN1C(=O)[C@@H](C)N(C)C(=O)[C@]1([H])CCCCN1C(=O)[C@@]1([H])CCCCN1C(=O)[C@@]([H])(NC(=O)[C@@H](Cc1ccccc1)NC2=O)[C@@H](C)CC
[H][C@@]12CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@]1([H])CCCCN1C(=O)[C@@]1([H])CCCCN1C(=O)[C@@]([H])(NC(=O)[C@@H](Cc1ccccc1)NC2=O)[C@@H](C)CC
CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O |c:44,53|
CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
CN(CC(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
C[C@@H](N(C)C(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O
C[C@@H](N(C)C(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
C[C@@H](N(C)C(=O)[C@@H]1CSSCCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O
CN(CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
CN(CC(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSCCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
[#6]-[#6](-[#6])-[#6@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6]-1=O)-[#6](=O)-[#7](-[#6])-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O
CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N(C)[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N2CCCC2C(=O)NCCCCCCN)cc1
CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N2CCCC2C(=O)NCCCCCCCN)cc1
CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N2CCC[C@H]2C(=O)NCCN)cc1
CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)NCCCCN)cc1
CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N2CCCC2C(=O)NCc2cccc(CN)c2)cc1
CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(O)=O)cc1
CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N[C@H](CCCNC(N)=N)C(N)=O)cc1
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[#6]-[#6]-[#8]-c1ccc(-[#6]-[#6@H]-2-[#7]-[#6](=O)-[#6]C3([#6]-[#6]-[#6]-[#6]-[#6]3)[#16]-[#6]-[#16]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-c3ccccc3)-[#7]-[#6]-2=O)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#7])=O)cc1
CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N2CCCC2C(=O)NCCCCNC(N)=N)cc1
CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N2CCCC2C(=O)NCCCCCN)cc1
CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)NCCCCCN)cc1
CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N2CCCC2O)cc1
CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N2CCCC2C(=O)NCc2ccc(CN)cc2)cc1
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CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N2CCC[C@H]2C(=O)NCCCCN)cc1
CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)NCCCCCN=C(N)CN)cc1 |w:61.63|
CCOc1ccc(C[C@@H]2NC(=O)CC3(CCC(C)CC3)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)cc1 |wU:23.55,63.66,8.7,35.52,wD:59.63,27.28,39.40,(-7.06,-8.94,;-6.04,-7.8,;-4.53,-8.13,;-3.51,-6.99,;-3.98,-5.52,;-2.95,-4.36,;-1.43,-4.68,;-.41,-3.54,;1.1,-3.87,;1.02,-5.4,;1.4,-6.89,;.01,-7.52,;2.26,-8.17,;3.45,-9.15,;2.01,-8.96,;1.24,-10.29,;2.01,-11.64,;1.24,-12.97,;3.54,-11.64,;4.31,-10.29,;5.26,-9.99,;6.42,-9.78,;7.92,-9.38,;9.2,-8.55,;10.17,-7.34,;10.71,-5.92,;12.22,-6.24,;10.8,-4.38,;12.34,-4.22,;13.52,-3.89,;13.97,-2.43,;14.55,-5.01,;10.41,-2.89,;9.57,-1.59,;10.71,-.57,;8.36,-.64,;6.93,-.08,;5.4,-.01,;5.2,1.09,;3.91,-.4,;3.28,1.02,;4.19,2.25,;5.71,2.09,;6.61,3.34,;5.99,4.74,;4.47,4.9,;3.54,3.67,;2.61,-1.24,;1.65,-2.43,;.31,-1.66,;9.14,.71,;10.68,.71,;8.36,2.04,;10.24,-9.69,;9.76,-11.15,;11.65,-10.31,;10.52,-11.34,;11.15,-12.76,;12.68,-12.57,;12.99,-11.08,;14.4,-10.43,;14.55,-8.89,;15.64,-11.34,;17.04,-10.71,;17.2,-9.17,;18.6,-8.55,;18.75,-7.01,;20.15,-6.38,;20.31,-4.85,;19.06,-3.94,;21.7,-4.2,;18.29,-11.59,;19.69,-10.96,;18.13,-13.13,;-.97,-6.15,;-1.99,-7.29,)|
CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)cc1
CCOc1ccc(C[C@@H]2NC(=O)CC3(CC[C@H](C)CC3)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)cc1 |wU:23.55,63.66,8.7,35.52,wD:59.63,27.28,39.40,16.16,(-5.31,-11.46,;-4.28,-10.32,;-2.76,-10.65,;-1.74,-9.49,;-2.21,-8.02,;-1.19,-6.88,;.33,-7.21,;1.36,-6.06,;2.87,-6.37,;2.8,-7.92,;3.18,-9.41,;1.77,-10.02,;4.03,-10.7,;5.22,-11.67,;6.1,-12.82,;5.32,-14.16,;3.78,-14.16,;3.01,-15.49,;3.01,-12.82,;3.78,-11.49,;7.04,-12.52,;8.2,-12.31,;9.69,-11.9,;10.98,-11.07,;11.95,-9.86,;12.49,-8.42,;14.01,-8.74,;12.58,-6.88,;14.12,-6.73,;15.31,-6.39,;15.75,-4.92,;16.34,-7.53,;12.18,-5.4,;11.34,-4.11,;12.49,-3.08,;10.14,-3.13,;8.71,-2.59,;7.18,-2.5,;6.97,-1.41,;5.68,-2.9,;5.06,-1.49,;5.96,-.24,;7.49,-.4,;8.39,.84,;7.77,2.25,;6.24,2.41,;5.33,1.16,;4.39,-3.74,;3.42,-4.94,;2.08,-4.17,;10.93,-1.8,;12.46,-1.8,;10.14,-.47,;12.02,-12.21,;11.53,-13.67,;13.44,-12.84,;12.3,-13.87,;12.93,-15.27,;14.47,-15.1,;14.77,-13.59,;16.19,-12.96,;16.33,-11.42,;17.43,-13.86,;18.83,-13.22,;18.99,-11.68,;20.39,-11.05,;20.53,-9.51,;21.94,-8.88,;22.11,-7.35,;20.85,-6.45,;23.51,-6.71,;20.09,-14.12,;19.94,-15.65,;21.6,-13.47,;23.16,-13.81,;23.35,-15.31,;22.22,-16.34,;24.82,-15.62,;.8,-8.67,;-.23,-9.82,)|
[#6]-[#6]-[#8]-c1ccc(-[#6]-[#6@@H]-2-[#7]-[#6](=O)-[#6]C3([#6]-[#6]-[#6]-[#6]-[#6]3)[#16]-[#16]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-c3ccccc3)-[#7]-[#6]-2=O)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O)cc1
CCOc1ccc(C[C@@H]2NC(=O)CC3(CCC(C)CC3)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)cc1 |wU:23.55,27.28,35.52,wD:59.63,63.66,8.7,39.40,(5.96,4.27,;6.99,3.13,;6.51,1.66,;7.54,.52,;9.05,.84,;10.08,-.31,;9.6,-1.77,;10.63,-2.92,;10.16,-4.38,;9.13,-3.24,;7.62,-3.56,;6.59,-2.41,;7.14,-5.02,;5.64,-5.34,;5.27,-3.84,;3.8,-3.41,;2.68,-4.47,;1.2,-4.04,;3.05,-5.97,;4.52,-6.4,;5.16,-6.81,;6.19,-7.95,;7.7,-7.63,;8.73,-8.77,;10.24,-8.45,;11.27,-9.6,;10.79,-11.06,;12.77,-9.28,;12.3,-10.74,;13.33,-11.89,;12.85,-13.35,;14.83,-11.57,;13.8,-10.42,;15.31,-10.1,;16.34,-11.25,;15.78,-8.64,;14.75,-7.49,;15.23,-6.03,;16.74,-5.71,;14.2,-4.88,;14.68,-3.42,;16.18,-3.1,;17.21,-4.24,;18.72,-3.92,;19.19,-2.46,;18.16,-1.31,;16.66,-1.63,;12.69,-5.2,;11.66,-4.06,;12.14,-2.6,;17.29,-8.32,;18.32,-9.46,;17.77,-6.85,;8.25,-10.24,;9.28,-11.38,;6.75,-10.56,;5.6,-9.53,;4.27,-10.3,;4.59,-11.8,;6.12,-11.97,;6.89,-13.3,;8.43,-13.3,;6.12,-14.63,;6.89,-15.97,;6.12,-17.3,;6.89,-18.63,;6.12,-19.97,;6.89,-21.3,;8.43,-21.3,;9.2,-22.64,;9.2,-19.97,;8.43,-15.97,;9.2,-14.63,;9.2,-17.3,;10.74,-17.3,;11.51,-18.63,;13.05,-18.63,;10.74,-19.97,;8.1,-2.09,;7.07,-.95,)|
CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)cc1
NCCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(O)=O
CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N2CCC[C@@H]2C(=O)NCCCCCN)cc1
CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O)cc1
CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCCN)C(N)=O)cc1
CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)NCCCCCN)cc1
CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCNC(N)=N)C(N)=O)cc1
CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](NC(=O)[C@@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)cc1
CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](NC(=O)[C@@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N[C@@H](CCCCN)C(N)=O)cc1
CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](NC(=O)[C@@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)cc1
CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](NC(=O)[C@@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)cc1
CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](NC(=O)[C@@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O)cc1
CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](NC(=O)[C@@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N[C@H](CCCNC(N)=N)C(N)=O)cc1
CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](NC(=O)[C@@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N[C@@H](CCCCNC(N)=N)C(N)=O)cc1
CCOc1ccc(C[C@H]2NC(=O)CC(CC)(CC)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCNC(N)=N)C(N)=O)cc1
CCOc1ccc(C[C@H]2NC(=O)CC(CC)(CC)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O)cc1
CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CC(SSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)C1CCCC1
[H][C@@]([#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])([#7]-[#6](=O)[C@]1([H])[#6]-[#6]-[#6]-[#7]1-[#6](=O)[C@]1([H])[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7][C@@]([H])([#6]-[#6](-[#7])=O)[#6](=O)-[#7]1)[#6](=O)-[#7]-[#6]-[#6](-[#7])=O
CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC[C@@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
Cc1ccn(n1)-c1ccc(C(=O)N2CCCC(=O)c3ccccc23)c(Cl)c1
CN(C)C1CCCN(C(=O)c2ccc(cc2Cl)-n2ccc(C)n2)c2ccccc12
CN(C)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12 |r|
COC(=O)CNC(=O)NCc1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Cc1cc(ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
CN(C)C1CCCN(C(=O)c2ccc(cc2)-n2ccc(C)n2)c2ccccc12
Cc1ccn(n1)C(=O)Nc1ccc(C(=O)N2CCCCc3ccccc23)c(Cl)c1
CC(C)NC(=O)C[C@H]1CCCN(C(=O)c2ccc(cc2Cl)N2CCCC2)c2ccccc12
O=C(N1CCCCc2ccccc12)c1ccc(cc1)-c1cccnc1
Cc1ccn(n1)-c1ccc(cc1)C(=O)N1CCCC(=O)c2ccccc12
[H][C@]1(NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC
O=C(Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12)c1ccccc1-c1ccccc1
Cc1occc1C(=O)Nc1ccc(cc1)C(=O)N1CCC(F)(F)\C(=C/C(=O)N2CCC(CC2)N2CCCCC2)c2ccccc12
Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
CCCCc1ccc(cc1)C(=O)N1CCCCc2ccccc12
Clc1ccc(cc1)C(=O)N1CCCCc2ccccc12
Brc1ccc(cc1)C(=O)N1CCCCc2ccccc12
CCCc1ccc(cc1)C(=O)N1CCCCc2ccccc12
O=C(N1CCCCc2ccccc12)c1ccc(cc1)-c1ccccc1
CN(C)c1ccc(cc1)C(=O)N1CCCCc2ccccc12
C[N+](C)(C)c1ccc(cc1)C(=O)N1CCCCc2ccccc12
CC(=O)Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12
Cc1ccn(n1)-c1ccc(cc1)C(=O)N1CCCC(O)c2ccccc12
Cc1ccn(n1)-c1ccc(C(=O)N2CCCC(O)c3ccccc23)c(Cl)c1
Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cnn(C)c3Nc3ccccc23)c(Cl)c1
Cc1ccn(n1)-c1ccc(C(=O)N2CCCCCC2)c(Cl)c1
CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
CN(C)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12 |r|
CN(C)C(=O)CNC(=O)NCc1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
CN(C)C(=S)CNC(=O)NCc1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
COCc1nnc(N2CC(C2)Oc2ccc(F)cc2Cl)n1-c1ccc(OC)nc1
Cc1ccn(n1)-c1ccc(cc1)C(=O)N1CCCCc2ccccc12
Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12
Ic1ccc(cc1)C(=O)N1CCCCc2ccccc12
O=C(N1CCCCc2ccccc12)c1ccc(cc1)-c1ncccn1
[#6]-[#6]-[#8]-c1ccc(-[#6]-[#6@H]-2-[#7]-[#6](=O)-[#6]C3([#6]-[#6]-[#6]-[#6]-[#6]3)[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c3ccccc3)-[#7]-[#6]-2=O)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O)cc1
[#6]-[#6]-[#8]-c1ccc(-[#6]-[#6@H]-2-[#7]-[#6](=O)-[#6]C3([#6]-[#6]-[#6]-[#6]-[#6]3)[#16]-[#16]-[#6]-[#6](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c3ccccc3)-[#7]-[#6]-2=O)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O)cc1
[#6]-[#6]-[#8]-c1ccc(-[#6]-[#6@H]-2-[#7]-[#6](=O)-[#6]C3([#6]-[#6]-[#6]-[#6]-[#6]3)[#16]-[#16]-[#6]-[#6](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c3ccccc3)-[#7]-[#6]-2=O)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-2-[#6]-[#6]-[#6]-[#6@@H]-2-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O)cc1
[#6]-[#6]-[#8]-c1ccc(-[#6]-[#6@H]-2-[#7]-[#6](=O)-[#6]C3([#6]-[#6]-[#6]-[#6]-[#6]3)[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c3ccccc3)-[#7]-[#6]-2=O)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-2-[#6]-[#6]-[#6]-[#6@@H]-2-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O)cc1
[#6]-[#6]-[#8]-c1ccc(-[#6]-[#6@H]-2-[#7]-[#6](=O)-[#6]C3([#6]-[#6]-[#6]-[#6]-[#6]3)[#16]-[#16]-[#6]-[#6](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c3ccccc3)-[#7]-[#6]-2=O)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O)cc1
CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)NCc2ccccc12
CC(=O)N1CCCCC1CCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
CC(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
COc1cc(OC2CCN(CC2)C(C)=O)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
CC(=O)N1CCCC(COc2ccc(cc2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)C1
CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)Cc1ccc(cc1)N=[N+]=[N-]
CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)CCc1ccc(cc1)N=[N+]=[N-]
CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)CCCc1ccc(cc1)N=[N+]=[N-]
CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)CCc1cccc(c1)N=[N+]=[N-]
CN([C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)Cc1cccc(c1)N=[N+]=[N-]
CN[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1CC2CC[C@]1(CS(=O)(=O)N1CCN(CC1)c1ccccc1C)C2(C)C |TLB:11:12:35:16.15|
Cc1ccccc1N1CCN(CC1)S(=O)(=O)C[C@]12CCC(C[C@@H]1NC(=O)[C@H](CCS(C)(=O)=O)NC1CCOCC1)C2(C)C |TLB:23:22:40:18.19|
CN(C)[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1CC2CC[C@]1(CS(=O)(=O)N1CCN(CC1)c1ccccc1C)C2(C)C |TLB:12:13:36:17.16|
Cc1ccccc1N1CCN(CC1)S(=O)(=O)C[C@]12CCC(C[C@@H]1NC(=O)[C@H](CCS(C)(=O)=O)NC1CCNCC1)C2(C)C |TLB:23:22:40:18.19|
CCN(CC)[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1CC2CC[C@]1(CS(=O)(=O)N1CCN(CC1)c1ccccc1C)C2(C)C |TLB:14:15:38:19.18|
Cc1ccccc1N1CCN(CC1)S(=O)(=O)C[C@]12CCC(C[C@@H]1NC(=O)[C@H](CCS(C)(=O)=O)NC1CCS(=O)(=O)CC1)C2(C)C |TLB:23:22:42:18.19|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)[C@@H](N)CCC(N)=O
Cc1ccccc1N1CCN(CC1)S(=O)(=O)C[C@]12CCC(C[C@@H]1NC(=O)[C@H](CCS(C)(=O)=O)N(CO)CO)C2(C)C |TLB:23:22:38:18.19|
Cc1ccccc1N1CCN(CC1)S(=O)(=O)C[C@]12CCC(C[C@@H]1NC(=O)[C@H](CCS(C)(=O)=O)NC1CCCCC1)C2(C)C |TLB:23:22:40:18.19|
Cc1ccccc1N1CCN(CC1)S(=O)(=O)C[C@]12CC[C@H](C[C@@H]1NC(=O)[C@@H](N)CCS(C)(=O)=O)C2(C)C |r,TLB:23:22:34:18.19|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)[C@@H](N)CCS(C)(=O)=O
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)[C@H](N)CCS(C)(=O)=O
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@](O)(CNC(=O)C(N)CS(C)(=O)=O)C2
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)c1ccccc1
CCN(CC)C(CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C
Cn1cncc1CC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)[C@H](CCC(N)=O)NC(=O)CCN
Cc1nc[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C
CC(C)[C@@H](N)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)CCc1cnc[nH]1
CC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)c1nnc(N)[nH]1)C2 |c:19|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)C(=O)[C@H](N)CC(N)=O
CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C)c1cnc[nH]1
CN(C)CC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)cn(Cc2cnc[nH]2)c1=O |TLB:27:25:1:5.4|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(Cc2cccnc2)[nH]c1=O |TLB:27:25:1:5.4|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)CCc1cccnc1
CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@@H](C2)NC(=O)Cc1cnc[nH]1
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)cn(CC(=O)Nc2ncc[nH]2)c1=O |TLB:27:25:1:5.4|
CCCS(=O)(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C
CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)Cc1cnc[nH]1
CN(C)C(CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)Cc1csc(N)n1
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)Cc1cccnc1
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c2CC(O)Cn2c1=O |TLB:27:25:1:5.4|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)Cc1ccncc1
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)NCCc1cnc[nH]1
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C=Cc1cnc[nH]1 |w:31.36|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(CCC(N)=O)[nH]c1=O |TLB:27:25:1:5.4|
Cn1cnc(CC(=O)N(CCS(C)(=O)=O)[C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)c1
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CCC(N)=O
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1CCNC1=O
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CCNC(=O)c1ccc(=O)[nH]c1)C2 |c:19|
CCC(C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C)c1cnc[nH]1
CC(C)Cc1[nH]c(=O)n([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)c1O |THB:8:9:33:13.12|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C(C2)N=O
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CCNC(=O)c1ccncc1)C2 |c:19|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CC#N)C2 |c:19|
CS(=O)CCC(N)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)C1CN3CCC1CC3)C2 |wU:6.7,25.29,wD:25.30,3.3,c:19,(10.02,-8.03,;9.24,-6.7,;9.97,-5.35,;10.97,-7.47,;10.2,-6.16,;8.66,-6.17,;7.92,-7.5,;6.59,-6.73,;6.6,-5.19,;8.14,-5.19,;5.06,-5.19,;6.61,-3.65,;7.94,-2.89,;7.96,-1.34,;6.63,-.58,;5.3,-1.34,;5.28,-2.87,;7.54,.67,;6.61,1.91,;5.16,1.42,;3.81,2.19,;2.48,1.42,;2.48,-.12,;3.81,-.89,;5.16,-.12,;8.7,-8.83,;7.61,-9.92,;9.46,-10.16,;11,-10.16,;11.77,-11.49,;10.99,-12.82,;13.31,-11.5,;14.05,-12.84,;15.59,-12.84,;14.26,-12.07,;15.34,-10.97,;14.01,-10.2,;15.62,-10.18,;16.38,-11.53,;10.23,-8.8,)|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(CC(=O)Nc2nnn[nH]2)[nH]c1=O |TLB:27:25:1:5.4|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C(=O)C2 |c:19|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CCNC(=O)Cc1cnc[nH]1)C2 |c:19|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)CCC(O)=O
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(CNc2nnc(N)[nH]2)[nH]c1=O |TLB:27:25:1:5.4|
CC(=O)N[C@@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)CC(CCC(O)=O)C1=O
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)CCC1CCCNC1
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@](O)(CN)C2 |c:19|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)NC1CN2CCC1CC2 |wU:6.7,wD:25.31,3.3,(14.52,-12.84,;13.74,-11.53,;14.47,-10.17,;15.48,-12.29,;14.7,-10.97,;13.17,-10.99,;12.42,-12.32,;11.09,-11.55,;11.1,-10.01,;12.64,-10.01,;9.56,-10.01,;11.11,-8.47,;12.44,-7.7,;12.46,-6.15,;11.13,-5.38,;12.04,-4.14,;11.11,-2.88,;9.65,-3.37,;8.3,-2.6,;6.97,-3.39,;6.97,-4.93,;8.3,-5.7,;9.66,-4.92,;9.79,-6.15,;9.78,-7.67,;13.2,-13.65,;14.73,-13.63,;12.46,-14.99,;11.32,-16.04,;9.85,-15.6,;11.69,-17.55,;10.55,-18.61,;10.91,-20.1,;9.78,-21.15,;8.3,-20.71,;7.95,-19.2,;9.08,-18.14,;9.61,-18.92,;8.97,-20.2,)|
CC1CCC(=O)N1[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)Cc1cnc[nH]1)C2 |c:19|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)C1CCCNC1)C2 |c:19|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(CCS(C)(=O)=O)[nH]c1=O |TLB:27:25:1:5.4|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@@H](C2)NC(=O)Cc1ccccc1
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C1CC(CN1)S(C)(=O)=O
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@@H](C2)NC(=O)Cc1cnc[nH]1
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)Cc1ccccn1
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C1CNC(=O)N1
Cn1cncc1CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)c1cccnc1)C2 |c:19|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c2CCC(=N)n2c1=O |TLB:27:25:1:5.4|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C(CCS(C)(=O)=O)c1cnc[nH]1
CCC(C)(C)C(=O)NCC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C |c:29|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C(N)CCS(N)(=O)=O
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CCNC(=O)c1cccnc1)C2 |c:19|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)c1ccccn1)C2 |c:19|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C(CCS(C)(=O)=O)NC(=O)Cc1cnc[nH]1
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C1(CNC(=O)O1)C2 |c:19|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C(N)CCC#N
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C(CCS(C)(=O)=O)NC(=O)CN
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c[nH]c1=O
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)Cc1[nH]cnc1Br
CC(C)[C@H](N)C(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C |c:28|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CN1C(=O)CCC1=O)C2 |c:19|
CC(C)C[C@@H](N)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CCNC(=O)c1ccccc1)C2 |c:19|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(CCC1=O)C(O)=O
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(CN)[nH]c1=O |TLB:27:25:1:5.4|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](N)C2
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)CC(CC(=O)Nc2nnn[nH]2)C1=O
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)c1cccnc1
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)c1cccs1
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)CC1CCCNC1
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)[C@H](N)Cc1cnc[nH]1
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(CC(O)=O)[nH]c1=O |TLB:27:25:1:5.4|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@@](O)(CN1CCCC1=O)C2
CC(C)C[C@H](N)C(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C |c:29|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)cn(CCCn2ccnc2)c1=O |TLB:27:25:1:5.4|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)CCn1ccnc1
COC(=O)CCN([C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C)C(=O)Cc1cn(C)cn1
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)Cn1cnnn1
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)Cn1ccnc1
Cc1[nH]c(=O)n([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)c1O |THB:5:6:30:10.9|
CC([C@@H](N)C(=O)[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C)C(N)=O
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)Cc1ccncc1)C2 |c:19|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C1CN2CCC1CC2 |wU:6.7,wD:25.31,3.3,(14.47,-10.17,;13.74,-11.53,;14.52,-12.84,;15.48,-12.29,;14.7,-10.97,;13.16,-10.99,;12.41,-12.32,;11.08,-11.55,;11.1,-10.01,;9.56,-10.01,;12.64,-10.01,;11.11,-8.47,;12.44,-7.69,;12.45,-6.15,;11.13,-5.38,;12.03,-4.14,;11.11,-2.88,;9.65,-3.37,;8.3,-2.6,;6.97,-3.39,;6.97,-4.93,;8.3,-5.7,;9.66,-4.91,;9.79,-6.15,;9.77,-7.67,;13.2,-13.65,;14.73,-13.62,;12.45,-14.99,;11.32,-16.04,;9.84,-15.59,;11.68,-17.55,;13.14,-18,;13.48,-19.49,;12.34,-20.55,;10.87,-20.08,;10.54,-18.58,;11.47,-18.51,;12.25,-19.73,)|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)CC(CC(O)=O)C1=O
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)CCCc1ccccc1
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1CCC(N)C1=O
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C(C2)N=O |c:19|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@H](O)C2 |c:19|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@@H](N)C2
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)[C@H](CCC(N)=O)NC(=O)Cc1cnc[nH]1
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)CC(CC(N)=O)NC(=O)Cc1cnc[nH]1
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C(N)CS(N)(=O)=O
CC(C)[C@H](NC(=O)Cc1cnc[nH]1)C(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C |c:37|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)NC1CCCCC1)C2 |c:19|
CC(=O)NCC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C |c:25|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)CCC1=O
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)Cc1nnn[nH]1
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)CC13CC4CC(CC(C4)C1)C3)C2 |c:19,TLB:39:34:41:38.40.37,39:38:41:34.33.35,THB:37:36:33:38.40.39,37:38:33:36.41.35|
Cn1cnc(CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)c1
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)CCc1ccccc1
CN(C)[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)c1ccncc1
COC(=O)[N+]12CCC(CC1)C(C2)C(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C |wU:22.25,16.18,wD:16.17,19.21,c:37,(14.38,-20.7,;15.88,-20.3,;16.28,-18.82,;17.78,-18.43,;15.2,-17.72,;13.85,-16.95,;14.95,-15.85,;13.61,-15.08,;15.22,-15.06,;15.98,-16.4,;12.91,-16.37,;13.66,-17.71,;11.36,-16.37,;10.58,-17.7,;10.6,-15.02,;9.06,-15.02,;8.29,-13.69,;7.19,-14.79,;9.82,-13.66,;10.58,-12.33,;9.78,-11.02,;8.25,-11.04,;7.51,-12.37,;6.18,-11.6,;6.18,-10.05,;4.64,-10.05,;7.72,-10.05,;6.2,-8.51,;4.86,-7.72,;4.87,-6.2,;6.22,-5.43,;7.54,-6.2,;7.54,-7.75,;7.12,-4.17,;6.2,-2.93,;4.73,-3.42,;3.4,-2.65,;2.07,-3.42,;2.07,-4.96,;3.4,-5.74,;4.75,-4.96,;8.82,-11.57,;9.57,-10.22,;9.62,-12.89,)|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)[C@@H](N)CCC(N)=O)C2 |c:19|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CN)C2 |c:19|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)Cc1ccccc1
Cn1cnc(CC(=O)N[C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)c1
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)CCN
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:34:35:39:33.32.38,THB:34:33:39:35.40.36|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CCNC(=O)Cc1ccncc1)C2 |c:19|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)NC(=O)C1=O |TLB:27:25:1:5.4|
CCOC(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@H](O)C2 |c:19|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(Cn1c(O)c[nH]c1=O)C2 |c:19|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(N)=O
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CC(O)=O)C2 |c:19|
CNC1CCN([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)C1=O
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)N(CCC(O)=O)CCc1cnc[nH]1
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)CN1CC[C@H](N)C1=O
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)cn(CC#N)c1=O |TLB:27:25:1:5.4|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C(N)CC[N+]([O-])=O
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)Cc1cccnc1)C2 |c:19|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)cn(Cc2nnn[nH]2)c1=O |TLB:27:25:1:5.4|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CCNC(=O)CC1CN3CCC1CC3)C2 |wU:6.7,25.29,wD:25.30,3.3,c:19,(9.62,-13.01,;8.82,-11.69,;9.57,-10.34,;10.58,-12.45,;9.78,-11.14,;8.25,-11.15,;7.51,-12.49,;6.18,-11.72,;6.18,-10.17,;4.64,-10.17,;7.72,-10.17,;6.2,-8.63,;7.54,-7.86,;7.54,-6.31,;6.22,-5.55,;4.87,-6.31,;4.86,-7.84,;7.12,-4.29,;6.2,-3.05,;4.73,-3.54,;3.4,-2.77,;2.07,-3.54,;2.07,-5.08,;3.4,-5.85,;4.75,-5.08,;8.29,-13.8,;9.06,-15.14,;6.95,-14.58,;5.62,-13.78,;4.28,-14.55,;4.26,-16.1,;5.59,-16.87,;2.92,-16.84,;2.91,-18.39,;1.57,-19.14,;1.57,-20.67,;2.88,-21.45,;4.22,-20.7,;4.24,-19.15,;3.44,-19.86,;2.09,-19.86,;9.82,-13.78,)|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CCNC(=O)Cc1nnn[nH]1)C2 |c:19|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C(N)CCCO
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C1CCCCC1
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)N(CCc1cnc[nH]1)CCS(C)(=O)=O
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)C(N)CCS(C)(=O)=O)C2 |c:19|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)Cc1cnc[nH]1
COC(=O)CNC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)Cc1ccccn1)C2 |c:19|
CC(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C |c:24|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)c1ccncc1)C2 |c:19|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(CCS(N)(=O)=O)[nH]c1=O |TLB:27:25:1:5.4|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)cn(CC(O)=O)c1=O |TLB:27:25:1:5.4|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)C(CCS(C)(=O)=O)NC(=O)Cc1cnc[nH]1)C2 |c:19|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)[C@H](N)CCC(N)=O
CC(C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C)c1cn(C)cn1
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CCNC(=O)c1ccccn1)C2 |c:19|
Cn1cnc(CC(=O)NC(CCS(C)(=O)=O)C(=O)N[C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)c1
Cn1cc(O)n([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)c1=O |THB:5:6:30:10.9|
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(Cc2cnc[nH]2)[nH]c1=O |TLB:27:25:1:5.4|
CC(=O)NCCCCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
COC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
CC(=O)Oc1cccc(c1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
O=C(N1CCC(CC1)N1C(=O)CCc2ccccc12)c1ccco1
CCc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
CC(=O)NCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
[O-][N+](=O)c1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
CC(=O)Nc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
CN1CCC(CC1)N1C(=O)CCc2ccccc12
Fc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
Brc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
CCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
COc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
CCCc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
Oc1cccc(c1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
Cc1cccc(c1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
Cc1ccccc1C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
CCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
Nc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
NCCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
O=C(N1CCC(CC1)N1C(=O)CCc2ccccc12)c1ccc(cc1)C#N
CC(=O)NCCCCCCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
NC(=O)c1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
Clc1cccc(c1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
NCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
NCCCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
CN(C)c1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
Clc1ccccc1C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
CC(=O)Oc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
CCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
CCCCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
CC(=O)NCCCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
O=C1CCc2ccccc2N1C1CCN(Cc2ccccc2)CC1
CCC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
O=C(N1CCC(CC1)N1C(=O)CCc2ccccc12)c1cnccn1
Clc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
NCCCCCCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
O=C(Cc1ccccc1)N1CCC(CC1)N1C(=O)CCc2ccccc12
O=C(N1CCC(CC1)N1C(=O)CCc2ccccc12)c1ccncc1
NCCCCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
O=CNCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
Cc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
O=C(N1CCC(CC1)N1C(=O)CCc2ccccc12)c1ccccc1
O=C(N1CCC(CC1)N1C(=O)CCc2ccccc12)c1cccs1
[O-][N+](=O)c1ccccc1C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
COC(=O)c1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
CCCCc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
CC(=O)Oc1ccccc1C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
O=CNCCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
CC(=O)NCCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
CN(CCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12)C(C)=O
OC(=O)c1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
Oc1ccccc1C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
[O-][N+](=O)c1cccc(c1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
Oc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
CN1CCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc12
Clc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N1CCCc2ccccc12
[O-][N+](=O)c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCc2ccccc12
Clc1cc(Cl)cc(c1)C(=O)Nc1ccc(cc1)C(=O)N1CCCc2ccccc12
CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)c2ccccc12
CN1CCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc2C1
[O-][N+](=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N1CCCc2ccccc12
CCCCOc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N1CCCc2ccccc12
O=C(Nc1cccc(c1)C(=O)N1CCCc2ccccc12)c1ccccc1
O=C(Cc1ccccc1)Nc1ccc(cc1)C(=O)N1CCCc2ccccc12
CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)c2ccccc12
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC(N)c2ccccc12
CN(CC#N)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc12
CC(=O)Nc1ccc(cc1)C(=O)N1CCCc2ccccc12
[O-][N+](=O)c1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)N1CCCc2ccccc12
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCOc2ccccc12
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCc2ccccc12
CCNC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc12
CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)c2ccccc12
CC(=O)ON=C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc12 |w:4.3|
O=C(Nc1ccccc1)Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12
CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c2ccccc12
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCOc2ccccc12
CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c2ccccc12
CNC(=O)NC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc12
CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c2ccccc12
CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3NC(C)=O)cc2)c2ccccc12
Clc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC(N2CCCCC2)c2ccccc12
O=C(Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12)c1ccccc1
COc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCc2ccccc12
O=C(Nc1ccc(cc1)C(=O)N1CCCc2ccccc12)c1cccnc1
Cc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N1CCCc2ccccc12
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCOCc2ccccc12
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCCc2ccccc12
O=C(N1CCCCc2ccccc12)c1ccc(NS(=O)(=O)c2ccccc2)cc1
O=C(Nc1ccc(cc1)C(=O)N1CCCc2ccccc12)c1ccccc1
CNC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc12
Cc1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)N1CCCc2ccccc12
O=C(Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12)Oc1ccccc1
COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N1CCCc2ccccc12
CN1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc12
O=C(Nc1ccc(cc1)C(=O)N1CCCc2ccccc12)c1ccco1
Clc1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)N1CCCc2ccccc12
O=C(Nc1ccccc1C(=O)N1CCCc2ccccc12)c1ccccc1
O=C(Nc1ccc(cc1)C(=O)N1CCCc2ccccc12)c1ccsc1
CCCC(=O)Nc1ccc(cc1)C(=O)N1CCCc2ccccc12
CN(CC(N)=O)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc12
CN(C)C1CCCN(C(=O)c2ccc(cc2)N(C)C(=O)c2ccccc2C)c2ccccc12
COc1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)N1CCCc2ccccc12
Clc1ccc(C(=O)Nc2ccc(cc2)C(=O)N2CCCc3ccccc23)c(Cl)c1
CCCN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc12
CCOc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N1CCCc2ccccc12
O=C(CCc1ccccc1)Nc1ccc(cc1)C(=O)N1CCCc2ccccc12
COc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC(N(C)C)c2ccccc12
CC(=O)NC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc12
CCOC(=O)CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc12
Cc1ccc(C(=O)Nc2ccc(cc2)C(=O)N2CCCc3ccccc23)c(C)c1
Clc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCc2ccccc12
CCCNC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc12
Clc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12
CC(C)C(=O)Nc1ccc(cc1)C(=O)N1CCCc2ccccc12
CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3N)cc2)c2ccccc12
CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3[N+]([O-])=O)cc2)c2ccccc12
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12
Cc1ccc(cc1C)C(=O)Nc1ccc(cc1)C(=O)N1CCCc2ccccc12
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)NCC(=O)N[C@@H](CSCC(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)NCC(N)=O |r|
Clc1ccc(C(=O)Nc2ccc(cc2)C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
COc1cc(Cl)ccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Cc1ccc(F)cc1C(=O)Nc1ccc(cc1Cl)C(=O)N1Cc2cccn2Cc2ccccc12
Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Clc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Fc1ccc(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc34)c(Cl)c2)c(Cl)c1
Fc1ccc(C(=O)Nc2ccc(cc2)C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Cc1cccc(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc34)c(Cl)c2)c1C
Clc1ccc(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc34)c(Cl)c2)c(Cl)c1
COc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(C)c1
Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Cc1cccc(C(=O)Nc2ccc(cc2)C(=O)N2Cc3cccn3Cc3ccccc23)c1C
COc1cc(ccc1NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1Cc2cccn2Cc2ccccc12
FC(F)(F)c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
COc1cc(NC(=O)c2cc(F)ccc2C)ccc1C(=O)N1Cc2cccn2Cc2ccccc12
Cc1ccc(F)cc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Fc1c(cccc1C(F)(F)F)C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Cc1ccc(C)c(c1)C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Cc1c(F)cccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Cc1cc(ccc1NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1Cc2cccn2Cc2ccccc12
[H][C@@]12C[C@@]1(CN(C2)c1nnc(COC)n1-c1ccc(OC)nc1)c1cccc(F)c1Cl |r|
[H][C@@]12C[C@@]1(CN(C2)c1nnc(COC)n1-c1ccc(OC)nc1)c1ccc(F)cc1Cl |r|
[H][C@@]12C[C@@]1(CN(C2)c1nnc(COCCF)n1-c1ccc(OC)nc1)c1ccc(F)cc1Cl |r|
[H][C@@]12C[C@@]1(CN(C2)c1nnc(COCC)n1-c1ccc(OC)nc1)c1ccc(F)cc1Cl |r|
[H][C@@]12C[C@@]1(CN(C2)c1nnc(CO[C@H]2CCOC2)n1-c1ccc(OC)nc1)c1ccc(F)cc1Cl |r|
CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(=O)Cc1ccc(O)cc1
CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(=O)Cc1ccccc1
CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCCN)C(N)=O)C(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)CCc1ccc(O)cc1
CN(C)c1ccc2c(Oc3cc(ccc3C22OC(=O)c3cc(ccc23)C(=O)N([C@@H](CCCCN)C(N)=O)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)N(C)C(=O)CCc2ccc(O)cc2)N(C)C)c1
CC(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(OCC(F)(F)F)c1
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2sccc2Cc2ccccc12
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2ccsc2Cc2ccccc12
Clc1ccc(C(=O)Nc2ccc(cc2)C(=O)N2Cc3sccc3Cc3ccccc23)c(Cl)c1
Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3sccc3Cc3ccccc23)c(Cl)c1
Cc1ccc(F)cc1C(=O)Nc1ccc(cn1)C(=O)N1Cc2sccc2Cc2ccccc12
Fc1ccc(C(=O)Nc2ccc(cn2)C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Cc1ccccc1C(=O)Nc1ccc(cn1)C(=O)N1Cc2cccn2Cc2ccccc12
Fc1cccc(Cl)c1C(=O)Nc1ccc(cn1)C(=O)N1Cc2cccn2Cc2ccccc12
Brc1ccccc1C(=O)Nc1ccc(cn1)C(=O)N1Cc2cccn2Cc2ccccc12
CN(C)CCCN(C(=O)c1cc(F)ccc1C)c1ccc(cn1)C(=O)N1Cc2cccn2Cc2ccccc12
CN(C)Cc1ccc2CN(C(=O)c3ccc(NC(=O)c4cc(F)ccc4C)nc3)c3ccccc3Cn12
Fc1ccc(F)c(c1)C(=O)Nc1ccc(cn1)C(=O)N1Cc2cccn2Cc2ccccc12
[O-][N+](=O)c1ccccc1C(=O)Nc1ccc(cn1)C(=O)N1Cc2cccn2Cc2ccccc12
Cc1c(F)cccc1C(=O)Nc1ccc(cn1)C(=O)N1Cc2cccn2Cc2ccccc12
Nc1ccccc1C(=O)Nc1ccc(cn1)C(=O)N1Cc2cccn2Cc2ccccc12
Clc1ccccc1C(=O)Nc1ccc(cn1)C(=O)N1Cc2cccn2Cc2ccccc12
O=C(Nc1ccc(cn1)C(=O)N1Cc2cccn2Cc2ccccc12)c1ccccc1-c1ccccc1
Clc1ccc(cc1C(=O)Nc1ccc(cn1)C(=O)N1Cc2cccn2Cc2ccccc12)-c1ccccn1
Cc1ccc(F)cc1C(=O)Nc1ccc(cn1)C(=O)N1Cc2cccn2Cc2ccccc12
Clc1ccc(Br)cc1C(=O)Nc1ccc(cn1)C(=O)N1Cc2cccn2Cc2ccccc12
Clc1ccc(Cl)c(c1)C(=O)Nc1ccc(cn1)C(=O)N1Cc2cccn2Cc2ccccc12
[#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O
CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)CCCNC(N)=N |r|
CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CO)CCCNC(N)=N |r|
CCc1ccc(C[C@@H]2NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3cccs3)NC2=O)C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)CCCNC(N)=N)cc1 |r|
CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r|
CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r|
CC(C)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r|
CC(C)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r|
CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCc1ccccc1 |r|
CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CSC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCCc1cccs1 |r|
CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r|
CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r|
CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CSC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCCc1cccs1 |r|
CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)NCCCCN |r|
CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CO)CCCNC(N)=N |r|
Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCCCc3sccc23)c(Cl)c1
Fc1ccc(C(=O)Nc2ccc(cc2)C(=O)N2CCc3c[nH]nc3-c3sccc23)c(Cl)c1
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCc2cn(C)nc2-c2sccc12
Clc1cc2N(CCCCc2s1)C(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1
Cn1cc2CCN(C(=O)c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3)c3ccsc3-c2n1
Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CCCCc2sccc12
Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CCc2c[nH]nc2-c2sccc12
O=C(Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12)c1ccccc1-c1ccccc1
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCc2c[nH]nc2-c2sccc12
Fc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)N2CCc3c[nH]nc3-c3sccc23)c(Cl)c1
Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCc3c[nH]nc3-c3sccc23)c(Cl)c1
Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1Cc2cccn2Cc2ccccc12
Cn1cc2CCN(C(=O)c3ccc(NC(=O)C4CCCCC4)cc3)c3ccsc3-c2n1
Cc1ccc(F)cc1C(=O)Nc1ccc(cc1)C(=O)N1CCc2c[nH]nc2-c2sccc12
Clc1cc2N(CCCCc2s1)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1
CN(C)C1CCN(Cc2ccc3CN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4Cl)c4ccccc4Cn23)CC1
CN(C)C1CCN(CC1)C(=O)c1ccc2CN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3Cl)c3ccccc3Cn12
CN(C)Cc1ccc2CN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3Cl)c3ccccc3Cn12
OC(=O)c1ccc2CN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3Cl)c3ccccc3Cn12
Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3ccc(C(O)=O)n3Cc3ccccc23)c(Cl)c1
CN1CCN(CC1)C(=O)c1ccc2CN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3Cl)c3ccccc3Cn12
CN(C)Cc1ccc2CN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3O)c3ccccc3Cn12
CN1CCN(Cc2ccc3CN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4Cl)c4ccccc4Cn23)CC1
COc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1Cc2ccc(CN(C)C)n2Cc2ccccc12
COc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1Cc2ccc(CN3CCN(C)CC3)n2Cc2ccccc12
Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1Cc2ccc(CN3CCC(CC3)N3CCCCC3)n2Cc2ccccc12
CN(C)CCN(C)Cc1ccc2CN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3Cl)c3ccccc3Cn12
CN(C)c1ccc(C(=O)N2CCCCc3ccccc23)c(Cl)c1
Clc1cc(ccc1C(=O)N1CCCCc2ccccc12)-n1cccn1
CCNc1ccc(C(=O)N2CCCCc3cc(Cl)ccc23)c(Cl)c1
Cc1ccn(n1)-c1ccc(C(=O)N2CCCCc3ccccc23)c(Cl)c1
CCNc1ccc(C(=O)N2CCCCc3ccccc23)c(Cl)c1
Clc1ccc2N(CCCCc2c1)C(=O)c1ccc(cc1Cl)N1CCCC1
Clc1cc(ccc1C(=O)N1CCCCc2ccccc12)N1CCCCC1
CN(C)c1ccc(C(=O)N2CCCCc3cc(Cl)ccc23)c(Cl)c1
Cc1ccccc1OCC(=O)Nc1ccc(C(=O)N2CCCCc3cc(Cl)ccc23)c(C)c1
Clc1cc(ccc1C(=O)N1CCCCc2ccccc12)N1CCCC1
CCN(CC)c1ccc(C(=O)N2CCCCc3ccccc23)c(Cl)c1
CCCCNc1ccc(C(=O)N2CCCCc3ccccc23)c(Cl)c1
Clc1cc(ccc1C(=O)N1CCCCc2ccccc12)-n1cccc1
Cc1cc(N)ccc1C(=O)N1CCCCc2cc(Cl)ccc12
Clc1ccc2N(CCCCc2c1)C(=O)c1ccc(cc1)N1CCCC1
CNc1ccc(C(=O)N2CCCCc3ccccc23)c(Cl)c1
O=C(N1CCCCc2ccccc12)c1ccc(cc1)N1CCCC1
CCCCCNc1ccc(C(=O)N2CCCCc3ccccc23)c(Cl)c1
Clc1cc(NCC=C)ccc1C(=O)N1CCCCc2ccccc12
O=C(N1CCCCc2ccccc12)c1ccc(cc1)-n1cccc1
CC1CCN(C1)c1ccc(C(=O)N2CCCCc3ccccc23)c(Cl)c1
CCCNc1ccc(C(=O)N2CCCCc3ccccc23)c(Cl)c1
Clc1ccc-2c(CCCc3nnc([C@H]4CC[C@@H](CC4)Oc4ccccn4)n-23)c1 |r,wU:13.12,wD:16.19,(20.56,-28.4,;21.91,-29.12,;23.23,-28.31,;24.58,-29.05,;24.62,-30.59,;23.31,-31.39,;23.13,-32.92,;24.2,-34.02,;25.73,-33.86,;26.56,-32.56,;28.09,-32.56,;28.56,-31.1,;27.32,-30.2,;27.31,-28.66,;25.98,-27.88,;25.99,-26.34,;27.34,-25.57,;28.67,-26.35,;28.66,-27.9,;27.34,-24.04,;26.01,-23.27,;26.02,-21.74,;24.69,-20.97,;23.36,-21.74,;23.36,-23.28,;24.69,-24.04,;26.07,-31.1,;21.96,-30.66,)|
Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1OCCCCC1CCNCC1 |(10.8,-.03,;9.42,-.73,;8.13,.11,;6.93,-.86,;7.49,-2.29,;6.65,-3.59,;5.11,-3.5,;4.27,-4.8,;4.97,-6.16,;6.51,-6.25,;7.35,-4.96,;4.13,-7.44,;4.83,-8.82,;3.99,-10.11,;2.45,-10.03,;1.76,-8.65,;2.59,-7.36,;9.02,-2.22,;10.03,-3.36,;9.54,-4.82,;10.56,-5.97,;12.07,-5.66,;12.55,-4.19,;11.54,-3.05,;12.01,-1.59,;13.38,-.92,;14.67,-1.76,;16.04,-1.08,;17.32,-1.93,;17.23,-3.46,;18.55,-4.27,;18.49,-5.81,;17.14,-6.53,;15.83,-5.73,;15.88,-4.2,)|
Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1OCCCC1CCNCC1 |(9.43,-1.75,;8.05,-2.43,;6.76,-1.61,;5.56,-2.57,;6.12,-4.01,;5.28,-5.3,;3.74,-5.22,;2.9,-6.51,;3.6,-7.87,;5.14,-7.96,;5.98,-6.68,;2.76,-9.17,;3.46,-10.54,;2.62,-11.83,;1.08,-11.74,;.38,-10.36,;1.22,-9.08,;7.65,-3.93,;8.66,-5.07,;8.17,-6.54,;9.2,-7.68,;10.71,-7.38,;11.18,-5.91,;10.17,-4.77,;10.64,-3.31,;12.02,-2.62,;13.3,-3.47,;14.68,-2.78,;15.96,-3.65,;17.31,-2.9,;18.63,-3.72,;18.57,-5.26,;17.22,-5.98,;15.91,-5.18,)|
CN1CCN(CCCCCCCCOc2ccccc2-n2c(C)nnc2-c2ccc(cc2)-c2ccccc2)CC1 |(24.67,-8.17,;24.58,-6.63,;23.19,-5.95,;23.09,-4.42,;24.38,-3.58,;24.24,-2.04,;22.84,-1.4,;21.58,-2.29,;20.18,-1.64,;18.92,-2.53,;17.52,-1.89,;16.26,-2.77,;14.86,-2.13,;13.62,-3.02,;13.76,-4.55,;15.14,-5.18,;15.28,-6.72,;14.02,-7.59,;12.64,-6.96,;12.51,-5.42,;11.12,-4.78,;10.9,-3.25,;11.88,-2.08,;9.38,-2.99,;8.66,-4.36,;9.75,-5.46,;9.49,-6.98,;8.05,-7.52,;7.79,-9.03,;8.98,-10,;10.41,-9.48,;10.68,-7.96,;8.71,-11.52,;9.91,-12.51,;9.64,-14.02,;8.19,-14.56,;7,-13.57,;7.28,-12.06,;25.75,-4.24,;25.85,-5.78,)|
CN1CCN(CC1)C(=O)c1ccc(COc2cccc(C)c2-n2c(C)nnc2-c2ccc(cc2)-c2ccccc2)cc1 |(15.47,-14.61,;15.71,-13.11,;14.58,-12.06,;14.91,-10.56,;16.38,-10.1,;17.53,-11.13,;17.18,-12.65,;17.57,-9.12,;19.02,-9.65,;17.31,-7.6,;18.49,-6.6,;18.23,-5.09,;16.78,-4.56,;16.52,-3.04,;15.09,-2.51,;13.85,-3.42,;14.02,-4.94,;12.76,-5.85,;11.36,-5.22,;11.2,-3.7,;9.8,-3.07,;12.45,-2.79,;12.29,-1.27,;13.48,-.29,;15.01,-.52,;12.92,1.14,;11.38,1.05,;10.99,-.44,;9.56,-1,;9.33,-2.53,;7.9,-3.09,;6.69,-2.13,;6.92,-.61,;8.35,-.03,;5.26,-2.69,;4.05,-1.71,;2.62,-2.27,;2.38,-3.81,;3.58,-4.77,;5.02,-4.21,;15.59,-5.54,;15.86,-7.06,)|
CN1CCN(CCCCCCOc2ccccc2-n2c(C)nnc2-c2ccc(cc2)-c2ccccc2)CC1 |(27.25,-2.68,;25.78,-2.25,;24.66,-3.31,;23.19,-2.88,;22.83,-1.38,;21.58,-2.29,;20.18,-1.64,;18.92,-2.53,;17.52,-1.89,;16.26,-2.77,;14.86,-2.13,;13.62,-3.02,;13.76,-4.55,;15.14,-5.18,;15.28,-6.72,;14.02,-7.59,;12.64,-6.96,;12.51,-5.42,;11.12,-4.78,;10.9,-3.25,;11.88,-2.08,;9.38,-2.99,;8.66,-4.36,;9.75,-5.46,;9.49,-6.98,;8.05,-7.52,;7.79,-9.03,;8.98,-10,;10.41,-9.48,;10.68,-7.96,;8.71,-11.52,;7.28,-12.06,;7,-13.57,;8.19,-14.56,;9.64,-14.02,;9.91,-12.51,;23.93,-.31,;25.4,-.75,)|
CN1CCN(CCCCOc2ccccc2-n2c(C)nnc2-c2ccc(cc2)-c2ccccc2)CC1 |(24.65,-.56,;23.17,-.92,;22.72,-2.39,;21.23,-2.76,;20.18,-1.64,;18.92,-2.53,;17.52,-1.89,;16.26,-2.78,;14.86,-2.13,;13.62,-3.02,;13.76,-4.55,;15.14,-5.19,;15.28,-6.72,;14.02,-7.59,;12.64,-6.96,;12.51,-5.42,;11.12,-4.78,;10.9,-3.25,;11.88,-2.08,;9.38,-2.99,;8.66,-4.36,;9.75,-5.46,;9.49,-6.98,;8.05,-7.52,;7.79,-9.03,;8.98,-10.01,;10.41,-9.48,;10.68,-7.96,;8.71,-11.52,;9.91,-12.51,;9.64,-14.02,;8.19,-14.56,;7,-13.57,;7.28,-12.06,;20.6,-.16,;22.09,.2,)|
CN(C)C1CCN(CC1)C(=O)\C=C1\c2ccccc2N(CCC1(F)F)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1
CN1CCN(CC1)C(=O)c1ccc(COc2ccccc2-n2c(C)nnc2-c2ccc(cc2)-c2ccccc2)cc1 |(15.94,-10.56,;16.17,-9.05,;17.64,-8.58,;17.99,-7.08,;16.85,-6.05,;15.38,-6.5,;15.04,-8,;18.02,-5.05,;19.47,-5.59,;17.76,-3.54,;16.31,-3,;16.06,-1.48,;17.25,-.5,;16.99,1.02,;15.54,1.54,;14.3,.65,;14.47,-.89,;13.23,-1.8,;11.82,-1.17,;11.66,.37,;12.9,1.26,;12.74,2.8,;13.93,3.78,;15.46,3.54,;13.37,5.2,;11.84,5.11,;11.45,3.61,;10.02,3.05,;8.81,4.02,;7.38,3.45,;7.16,1.93,;8.35,.97,;9.79,1.53,;5.71,1.37,;5.47,-.16,;4.04,-.71,;2.83,.25,;3.08,1.79,;4.52,2.34,;18.69,-1.04,;18.95,-2.55,)|
COc1ccc(cc1OC)S(=O)(=O)N1[C@@H](C(=O)N2CCC[C@H]2C(N)=O)[C@](O)(c2cc(Cl)ccc12)c1ccccc1Cl |r|
COc1ccccc1-n1c(C)nnc1-c1ccc(cc1)-c1ccccc1 |(18.22,-5.11,;16.73,-4.71,;15.64,-5.81,;16.04,-7.28,;14.95,-8.38,;13.47,-7.98,;13.07,-6.5,;14.17,-5.41,;13.77,-3.93,;14.8,-2.77,;16.34,-2.77,;14.01,-1.43,;12.51,-1.76,;12.35,-3.3,;11.02,-4.08,;9.68,-3.32,;8.36,-4.1,;8.37,-5.63,;9.7,-6.41,;11.04,-5.63,;7.04,-6.41,;7.04,-7.96,;5.69,-8.73,;4.36,-7.96,;4.36,-6.41,;5.69,-5.64,)|
CN1CCN(CCCOc2ccccc2-n2c(C)nnc2-c2ccc(cc2)-c2ccccc2)CC1 |(23.09,-4.46,;21.7,-3.81,;20.44,-4.7,;19.04,-4.06,;18.92,-2.53,;17.52,-1.89,;16.26,-2.77,;14.86,-2.13,;13.62,-3.02,;13.76,-4.55,;15.14,-5.18,;15.28,-6.72,;14.02,-7.59,;12.64,-6.96,;12.51,-5.42,;11.12,-4.78,;10.9,-3.25,;11.88,-2.08,;9.38,-2.99,;8.66,-4.36,;9.75,-5.46,;9.49,-6.98,;8.05,-7.52,;7.79,-9.03,;8.98,-10,;10.41,-9.48,;10.68,-7.96,;8.71,-11.52,;9.91,-12.51,;9.64,-14.02,;8.19,-14.56,;7,-13.57,;7.28,-12.06,;20.17,-1.63,;21.57,-2.29,)|
Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1OCCC1CCNCC1 |(12.17,-.12,;10.79,-.82,;9.49,.02,;8.3,-.94,;8.86,-2.39,;8.02,-3.68,;6.47,-3.61,;5.64,-4.89,;6.34,-6.26,;7.87,-6.34,;8.71,-5.05,;5.5,-7.55,;6.2,-8.93,;5.35,-10.22,;3.81,-10.14,;3.11,-8.75,;3.96,-7.46,;10.4,-2.31,;11.41,-3.46,;10.92,-4.91,;11.94,-6.06,;13.44,-5.75,;13.93,-4.28,;12.9,-3.14,;13.39,-1.68,;14.76,-1,;16.05,-1.85,;15.96,-3.4,;14.56,-4.07,;14.47,-5.61,;15.75,-6.46,;17.13,-5.78,;17.24,-4.24,)|
Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1OCCCCCCN1CCC(CC1)N1CCCCC1 |(6.93,-1.75,;5.55,-2.43,;4.25,-1.61,;3.06,-2.57,;3.62,-4.01,;2.78,-5.3,;1.24,-5.23,;.4,-6.52,;1.1,-7.87,;2.64,-7.96,;3.48,-6.68,;.26,-9.17,;.96,-10.54,;.12,-11.84,;-1.42,-11.74,;-2.11,-10.37,;-1.28,-9.08,;5.16,-3.93,;6.17,-5.07,;5.68,-6.54,;6.69,-7.68,;8.2,-7.38,;8.69,-5.91,;7.66,-4.77,;8.15,-3.3,;9.52,-2.62,;10.8,-3.48,;12.18,-2.78,;13.46,-3.65,;14.84,-2.95,;16.13,-3.81,;17.5,-3.13,;19.04,-3.27,;19.93,-2.04,;19.3,-.63,;17.76,-.47,;16.87,-1.73,;20.09,.67,;19.39,2.01,;20.21,3.3,;21.73,3.24,;22.45,1.91,;21.63,.61,)|
Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1c(C)cccc1OCc1ccc(cc1)C(=O)N1CCC(CC1)N1CCCCC1 |(15.01,-.52,;13.48,-.29,;12.92,1.14,;11.39,1.05,;10.99,-.44,;9.57,-1,;9.33,-2.53,;7.9,-3.09,;6.69,-2.13,;6.92,-.61,;8.35,-.03,;5.26,-2.69,;4.05,-1.71,;2.62,-2.27,;2.38,-3.81,;3.58,-4.77,;5.02,-4.21,;12.29,-1.27,;12.45,-2.79,;11.2,-3.7,;9.8,-3.07,;11.36,-5.22,;12.77,-5.85,;14.02,-4.94,;13.86,-3.42,;15.1,-2.51,;16.53,-3.05,;16.79,-4.56,;18.23,-5.09,;18.49,-6.6,;17.32,-7.6,;15.87,-7.06,;15.59,-5.55,;17.57,-9.12,;19.02,-9.65,;16.39,-10.1,;17.53,-11.13,;17.18,-12.65,;15.71,-13.11,;14.59,-12.07,;14.92,-10.56,;15.48,-14.61,;16.67,-15.57,;16.44,-17.09,;15.01,-17.63,;13.82,-16.67,;14.05,-15.17,)|
CN1CCN(CCCCCOc2ccccc2-n2c(C)nnc2-c2ccc(cc2)-c2ccccc2)CC1 |(24.7,-5.65,;23.67,-4.52,;22.16,-4.86,;21.11,-3.74,;21.58,-2.29,;20.18,-1.64,;18.92,-2.53,;17.52,-1.89,;16.26,-2.78,;14.86,-2.13,;13.62,-3.02,;13.76,-4.55,;15.14,-5.19,;15.28,-6.72,;14.02,-7.59,;12.64,-6.96,;12.51,-5.42,;11.12,-4.78,;10.9,-3.25,;11.88,-2.08,;9.38,-2.99,;8.66,-4.36,;9.75,-5.46,;9.49,-6.98,;8.05,-7.52,;7.79,-9.03,;8.98,-10,;10.41,-9.48,;10.68,-7.96,;8.71,-11.52,;9.91,-12.51,;9.64,-14.02,;8.19,-14.56,;7,-13.57,;7.28,-12.06,;23.07,-1.92,;24.12,-3.06,)|
Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1OCCCCCCn1ccnc1 |(8.16,-1.75,;6.79,-2.43,;5.49,-1.61,;4.3,-2.57,;4.86,-4.01,;4.02,-5.3,;2.47,-5.22,;1.64,-6.51,;2.34,-7.87,;3.86,-7.96,;4.71,-6.68,;1.5,-9.16,;2.2,-10.54,;1.35,-11.83,;-.19,-11.74,;-.88,-10.36,;-.04,-9.08,;6.39,-3.93,;7.4,-5.07,;6.91,-6.54,;7.93,-7.68,;9.43,-7.38,;9.92,-5.91,;8.89,-4.77,;9.38,-3.3,;10.75,-2.62,;12.03,-3.47,;13.41,-2.78,;14.69,-3.65,;16.08,-2.95,;17.36,-3.81,;18.73,-3.12,;18.98,-1.61,;20.51,-1.38,;21.18,-2.76,;20.09,-3.83,)|
CN1CCN(CC1)C(=O)CCCCCOc1ccccc1-n1c(C)nnc1-c1ccc(cc1)-c1ccccc1 |(17.72,4.65,;16.39,3.89,;16.5,2.35,;15.21,1.49,;13.84,2.17,;13.74,3.71,;15.01,4.57,;12.56,1.32,;12.65,-.22,;11.17,2,;9.89,1.16,;8.51,1.84,;7.22,.98,;5.84,1.67,;4.56,.82,;4.07,-.64,;5.1,-1.78,;4.61,-3.26,;3.11,-3.56,;2.09,-2.41,;2.58,-.96,;1.55,.19,;1.96,1.68,;3.34,2.38,;.66,2.52,;-.53,1.56,;.03,.11,;-.81,-1.18,;-2.36,-1.11,;-3.19,-2.39,;-2.49,-3.76,;-.96,-3.84,;-.12,-2.56,;-3.33,-5.06,;-2.63,-6.43,;-3.48,-7.72,;-5.02,-7.64,;-5.72,-6.25,;-4.88,-4.96,)|
CN1CCN(CCCCCCCCCCOc2ccccc2-n2c(C)nnc2-c2ccc(cc2)-c2ccccc2)CC1 |(27.33,-7.91,;27.23,-6.4,;25.85,-5.7,;25.76,-4.18,;27.03,-3.32,;26.89,-1.8,;25.49,-1.15,;24.24,-2.04,;22.84,-1.4,;21.58,-2.29,;20.18,-1.64,;18.92,-2.53,;17.52,-1.89,;16.26,-2.78,;14.86,-2.13,;13.62,-3.02,;13.76,-4.55,;15.14,-5.19,;15.28,-6.72,;14.02,-7.59,;12.64,-6.96,;12.51,-5.42,;11.12,-4.78,;10.9,-3.25,;11.88,-2.08,;9.38,-2.99,;8.66,-4.36,;9.75,-5.46,;9.49,-6.98,;8.05,-7.52,;7.79,-9.03,;8.98,-10.01,;10.41,-9.48,;10.68,-7.96,;8.71,-11.52,;9.91,-12.51,;9.64,-14.02,;8.19,-14.56,;7,-13.57,;7.28,-12.06,;28.41,-4,;28.51,-5.54,)|
CN1CCN(CCCCCCCOc2ccccc2-n2c(C)nnc2-c2ccc(cc2)-c2ccccc2)CC1 |(27.36,-5.41,;26.31,-4.28,;24.82,-4.63,;23.77,-3.51,;24.24,-2.04,;22.84,-1.4,;21.58,-2.29,;20.18,-1.64,;18.92,-2.53,;17.52,-1.89,;16.26,-2.77,;14.86,-2.13,;13.62,-3.02,;13.76,-4.55,;15.14,-5.18,;15.28,-6.72,;14.02,-7.59,;12.64,-6.96,;12.51,-5.42,;11.12,-4.78,;10.9,-3.25,;11.88,-2.08,;9.38,-2.99,;8.66,-4.36,;9.75,-5.46,;9.49,-6.98,;8.05,-7.52,;7.79,-9.03,;8.98,-10,;10.41,-9.48,;10.68,-7.96,;8.71,-11.52,;9.91,-12.51,;9.64,-14.02,;8.19,-14.56,;7,-13.57,;7.28,-12.06,;25.73,-1.68,;26.78,-2.81,)|
Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1OCCCCCCN1CCCCC1 |(9.29,-1.39,;7.83,-1.97,;6.55,-1.15,;5.37,-2.08,;5.92,-3.51,;5.02,-4.76,;5.68,-6.17,;4.76,-7.42,;3.23,-7.27,;2.58,-5.86,;3.49,-4.61,;2.33,-8.52,;2.97,-9.93,;2.07,-11.18,;.52,-11.06,;-.12,-9.64,;.78,-8.39,;7.45,-3.44,;8.55,-4.53,;8.14,-5.99,;9.24,-7.08,;10.72,-6.68,;11.12,-5.22,;10.03,-4.13,;10.44,-2.63,;11.94,-2.23,;12.33,-.75,;13.82,-.36,;14.22,1.13,;15.68,1.53,;16.09,3.01,;17.57,3.39,;18.67,2.32,;20.12,2.71,;20.53,4.19,;19.44,5.28,;17.96,4.88,)|
CN1CCN(CCCCCCOc2cccc(C)c2-n2c(C)nnc2-c2ccc(cc2)-c2ccccc2)CC1 |(21.48,2.67,;20.23,1.78,;20.37,.24,;19.12,-.65,;17.72,-.01,;16.46,-.9,;15.06,-.26,;13.82,-1.15,;12.42,-.51,;11.16,-1.4,;9.76,-.75,;8.5,-1.64,;8.64,-3.17,;10.04,-3.81,;10.18,-5.35,;8.92,-6.23,;7.52,-5.59,;6.19,-6.35,;7.4,-4.05,;6.01,-3.41,;5.77,-1.88,;6.77,-.7,;4.26,-1.62,;3.55,-2.99,;4.63,-4.08,;4.37,-5.61,;5.56,-6.59,;5.3,-8.11,;3.86,-8.64,;2.67,-7.66,;2.93,-6.15,;3.59,-10.15,;2.16,-10.69,;1.89,-12.21,;3.08,-13.19,;4.53,-12.66,;4.79,-11.14,;17.57,1.52,;18.82,2.42,)|
CC(C)NC(=O)C[C@@H]1CCCN(C(=O)c2ccc(cc2Cl)N2CCCC2)c2ccccc12
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCNc2ccccc12
Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1C[C@H]2C3CCC(C3)N2Cc2ccccc12 |TLB:25:26:31:29.28,THB:33:32:31:29.28|
Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1C[C@@H]2C3CCC(C3)N2Cc2ccccc12 |TLB:25:26:31:29.28,THB:33:32:31:29.28|
Clc1ccc2N(C[C@@H]3C4CCC(CC4)N3Cc2c1)C(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 |wU:7.15,TLB:6:7:10.9:12.13,THB:15:14:10.9:12.13,(3.76,.02,;4.94,-.97,;4.69,-2.46,;5.83,-3.42,;7.24,-2.91,;8.2,-4.08,;9.6,-3.94,;10.67,-2.83,;13.2,-1.17,;15.18,-2.33,;15.59,-.94,;13.52,.32,;13.5,1.87,;12.96,1.54,;10.74,-1.55,;8.91,-.5,;7.5,-1.43,;6.36,-.47,;7.43,-5.58,;5.98,-5.61,;8.32,-6.85,;9.93,-6.64,;10.81,-7.9,;10.14,-9.31,;11.02,-10.57,;12.56,-10.46,;13.24,-9.07,;13.45,-11.74,;12.77,-13.13,;13.64,-14.39,;15.18,-14.27,;15.84,-12.87,;14.97,-11.6,;15.63,-10.21,;8.6,-9.43,;7.73,-8.15,)|
Fc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1C[C@@H]2C3CCC(C3)N2Cc2cc(Cl)ccc12 |TLB:19:20:25:23.22,THB:27:26:25:23.22|
Clc1ccc2N(C[C@@H]3C4CCC(C4)N3Cc2c1)C(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 |TLB:6:7:12:10.9,THB:14:13:12:10.9|
FC(F)(F)c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1C[C@@H]2C3CCC(C3)N2Cc2cc(Cl)ccc12 |TLB:22:23:28:26.25,THB:30:29:28:26.25|
Cc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1C[C@@H]2C3CCC(CC3)N2Cc2cc(Cl)ccc12 |wU:26.37,TLB:25:26:29.28:31.32,THB:34:33:29.28:31.32,(16.59,-5.99,;15.93,-7.4,;16.81,-8.66,;16.16,-10.06,;14.62,-10.18,;13.73,-8.92,;14.38,-7.54,;13.96,-11.58,;14.83,-12.85,;14.17,-14.25,;12.63,-14.37,;11.76,-13.1,;12.43,-11.7,;11.55,-10.44,;12.21,-9.03,;10.01,-10.55,;9.14,-9.29,;9.8,-7.89,;8.93,-6.63,;7.3,-6.84,;6.73,-8.12,;7.6,-9.41,;6.43,-5.57,;4.98,-5.6,;7.19,-4.08,;8.61,-3.94,;9.66,-2.81,;12.18,-1.15,;14.17,-2.32,;14.58,-.94,;12.5,.32,;12.5,1.86,;11.95,1.54,;9.73,-1.53,;7.9,-.5,;6.5,-1.41,;5.36,-.45,;3.95,-.97,;2.77,.02,;3.69,-2.44,;4.84,-3.4,;6.24,-2.91,)|
O=C(Nc1ccc(cc1)C(=O)N1CC2C3CCC(CC3)N2Cc2ccccc12)c1ccccc1-c1ccccc1 |TLB:12:13:16.15:18.19,THB:21:20:16.15:18.19,(11.51,-9.02,;10.83,-10.42,;9.3,-10.54,;8.43,-9.25,;9.09,-7.85,;8.22,-6.59,;6.61,-6.82,;6.02,-8.11,;6.89,-9.37,;5.73,-5.54,;4.28,-5.56,;6.49,-4.07,;7.89,-3.93,;8.95,-2.81,;11.47,-1.15,;13.45,-2.3,;13.85,-.92,;11.79,.34,;11.77,1.88,;11.24,1.53,;9.02,-1.53,;7.2,-.5,;5.8,-1.41,;4.65,-.45,;3.24,-.96,;2.99,-2.44,;4.13,-3.39,;5.53,-2.88,;11.72,-11.68,;11.04,-13.06,;11.91,-14.34,;13.45,-14.22,;14.11,-12.82,;13.24,-11.56,;13.89,-10.16,;15.43,-10.05,;16.09,-8.65,;15.22,-7.38,;13.66,-7.5,;13.03,-8.9,)|
Cc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3cc(Cl)ccc23)c(Cl)c1 |TLB:23:24:29:27.26,THB:31:30:29:27.26|
Cc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1C[C@@H]2C3CCC(C3)N2Cc2cc(Cl)ccc12 |TLB:25:26:31:29.28,THB:33:32:31:29.28|
Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CC2C3CCC(CC3)N2Cc2ccccc12 |TLB:25:26:29.28:31.32,THB:34:33:29.28:31.32,(4.49,-8.59,;6.03,-8.45,;6.89,-9.71,;8.43,-9.6,;9.29,-10.87,;10.83,-10.76,;11.49,-9.36,;11.7,-12.02,;11.04,-13.4,;11.91,-14.67,;13.45,-14.56,;14.1,-13.16,;13.24,-11.9,;13.89,-10.51,;15.43,-10.38,;16.08,-8.99,;15.2,-7.71,;13.66,-7.85,;13,-9.25,;9.08,-8.2,;8.22,-6.94,;6.59,-7.16,;5.72,-5.89,;4.28,-5.91,;6.47,-4.41,;7.89,-4.27,;8.94,-3.16,;11.46,-1.5,;13.45,-2.64,;13.84,-1.27,;11.77,-.01,;11.77,1.53,;11.23,1.19,;9.01,-1.87,;7.19,-.84,;5.79,-1.76,;4.65,-.8,;3.25,-1.31,;2.99,-2.78,;4.14,-3.74,;5.54,-3.23,)|
Cc1cc(F)cc(c1)C(=O)Nc1ccc(C(=O)N2C[C@@H]3C4CCC(CC4)N3Cc3ccccc23)c(Cl)c1 |wU:19.28,TLB:27:26:22.21:24.25,THB:18:19:22.21:24.25,(15.87,-12.2,;14.33,-12.33,;13.66,-13.73,;12.14,-13.84,;11.46,-15.24,;11.25,-12.58,;11.93,-11.2,;13.45,-11.07,;11.04,-9.92,;11.72,-8.54,;9.53,-10.04,;8.64,-8.77,;9.32,-7.37,;8.43,-6.11,;6.82,-6.33,;5.96,-5.06,;4.51,-5.09,;6.7,-3.58,;8.1,-3.44,;9.18,-2.33,;11.7,-.68,;11.46,2.02,;12,2.36,;12,.82,;14.08,-.44,;13.66,-1.82,;9.25,-1.05,;7.43,-.01,;6.02,-.93,;4.88,.02,;3.46,-.47,;3.2,-1.96,;4.35,-2.92,;5.75,-2.4,;6.24,-7.63,;4.7,-7.77,;7.1,-8.89,)|
[H][C@@]12C[C@]3([H])[C@H]([C@H](CC[C@@]3([H])CN1CC[C@@]21C(=O)N(Cc2cccc(OC)c2)c2ccccc12)OCc1cccc(OC)c1)C(=O)OC |r|
CCCN1CCC(COc2nc3ccccc3c3NCCCc23)CC1
O=C(Nc1ccc(cc1)C(=O)N1CCCc2c[nH]c3cccc1c23)c1ccccc1-c1ccccc1
Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CCCc2c[nH]c3cccc1c23
Cc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCc2c[nH]c3cccc1c23
Cc1c(F)cccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCc2c[nH]c3cccc1c23
Cc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCc2cn(C)c3cccc1c23
Clc1[nH]c2cccc3N(CCCc1c23)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1
OS(=O)(=O)c1[nH]c2cccc3N(CCCc1c23)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1
Clc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCc2c[nH]c3cccc1c23
OS(=O)(=O)c1[nH]c2cccc3N(CCCc1c23)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)c(Cl)c1
CC(=O)n1cc2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccc(C)cc4)cc3)c3cccc1c23
Cc1ccc(F)cc1C(=O)Nc1ccc(cc1)C(=O)N1CCCc2c[nH]c3cccc1c23
CCOC(=O)Cn1cc2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccc(C)cc4)cc3)c3cccc1c23
O=C(Nc1ccc(cc1)C(=O)N1CCCC2C(=O)Nc3cccc1c23)c1ccccc1-c1ccccc1
Brc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
CCOc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
CSc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2ccccc2Oc2ccccc12
Clc1cccc(Cl)c1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Oc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2ccccc2CCc2ccccc12
Clc1ccc(Cl)c(c1)C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2ccccc2Cc2ccccc12
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCc2cccn2-c2ccccc12
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2ccccc2Nc2ccccc12
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2ccccc2-c2ccccc12
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCc2ccccc2-c2ccccc12
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2-c2ccccc12
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2ccccc2Sc2ccccc12
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1c2ccccc2CCc2ccccc12
Clc1cccc(C(=O)Nc2ccc(cc2)C(=O)N2Cc3cccn3Cc3ccccc23)c1Cl
Fc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
OC(=O)CC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
OC(=O)CC[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
OC(=O)C[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
OC(=O)CC[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
OCCC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
OC(=O)C[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
FCCC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
OS(=O)(=O)CCC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
CN(C)CC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
O=C(Nc1ccc(cc1)C(=O)N1CCC(CCn2cnnn2)Sc2ccccc12)c1ccccc1-c1ccccc1
FC(F)CC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
CN1CCN(CCN2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccsc23)CC1
CN1CCCN(CC(=O)N2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccsc23)CC1
CN1CCN(CCCCOc2cc(ccc2NC(=O)c2ccccc2-c2ccccc2)C(=O)N2CCCCc3sccc23)CC1
O=C(Nc1ccc(cc1)C(=O)N1CCCN(CCN2CCCC2)c2sccc12)c1ccccc1-c1ccccc1
CN1CCCN(CCCOc2cc(ccc2NC(=O)c2ccccc2-c2ccccc2)C(=O)N2CCCCc3sccc23)CC1
CN(C)C1CCN(CC1)C(=O)COc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
CN1CCCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
CN(C)CCN(C)CCCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
CCN(CC)C1CCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
CN(C)CCN1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccsc12
COc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCC(N(C)C)c2sccc12
O=C(Nc1ccc(cc1)C(=O)N1CCCN(Cc2ccccc2)c2sccc12)c1ccccc1-c1ccccc1
O=C(CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12)N1CCC(CC1)N1CCCCC1
O=C(Nc1ccc(cc1)C(=O)N1CCCN(Cc2cccnc2)c2sccc12)c1ccccc1-c1ccccc1
CN1CCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
CN(C)C1CCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Oc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Clc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCCC=C2)Cc2ccccc12 |c:27|
COc1ccc(cc1OC)C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCCC=C2)Cc2ccccc12 |c:30|
COc1cccc(OC)c1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCCC=C2)Cc2ccccc12 |c:30|
Cc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCCC=C2)Cc2ccccc12 |c:27|
O=C(Nc1ccc(cc1)C(=O)N1CCC2(CCCC=C2)Cc2ccccc12)c1ccccc1 |c:19|
Nc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCCC=C2)Cc2ccccc12 |c:27|
O=C(Nc1ccc(cc1)C(=O)N1CCC2(CCCC=C2)Cc2ccccc12)c1ccccc1-c1ccccc1 |c:19|
Cc1ccc(cc1C)C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCCC=C2)Cc2ccccc12 |c:28|
COc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCCC=C2)Cc2ccccc12 |c:28|
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCCC=C2)Cc2ccccc12 |c:27|
CSc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCCC=C2)Cc2ccccc12 |c:28|
Clc1ccc(C(=O)Nc2ccc(cc2)C(=O)N2CCC3(CCCC=C3)Cc3ccccc23)c(Cl)c1 |c:24|
Cc1ccc(F)cc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCCC=C2)Cc2ccccc12 |c:28|
Clc1cccc(Cl)c1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCCC=C2)Cc2ccccc12 |c:28|
Fc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCCC=C2)Cc2ccccc12 |c:27|
Cc1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCCC=C2)Cc2ccccc12 |c:27|
CS(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCCC=C2)Cc2ccccc12 |c:29|
CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2sccc12)C(=S)N1CCCN(C)CC1
CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2sccc12)C(=S)NCCc1ccccn1
CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2sccc12)C(=O)N1CCC(CC1)N1CCCC1
CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2sccc12)C(=O)N1CCCN(C)CC1
CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2sccc12
CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2sccc12)C(=S)N1CCC(CC1)N1CCCC1
CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2sccc12
CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2sccc12)C(=O)N1CCC(CC1)N1CCCCC1
CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2sccc12)C(=O)NCCc1ccccn1
CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2sccc12)C(=O)NCCN(C)C
CN1Cc2nnc([C@H]3CC[C@@H](CC3)Oc3ccccn3)n2-c2ccc(Cl)cc2C1 |r,wU:7.6,wD:10.13,(-.51,-6.75,;-1.47,-5.54,;-.79,-4.16,;-1.45,-2.76,;-.65,-1.45,;-1.66,-.28,;-3.08,-.88,;-4.39,-.07,;-5.74,-.79,;-7.05,.02,;-7,1.56,;-5.65,2.28,;-4.34,1.47,;-8.31,2.37,;-9.67,1.64,;-9.72,.1,;-11.08,-.63,;-12.38,.19,;-12.34,1.72,;-10.98,2.45,;-2.95,-2.41,;-4.16,-3.37,;-5.49,-2.59,;-6.83,-3.35,;-6.83,-4.89,;-8.17,-5.65,;-5.51,-5.67,;-4.17,-4.91,;-2.97,-5.87,)|
OC1Cc2nnc([C@H]3CC[C@@H](CC3)Oc3ccccn3)n2-c2ccc(Cl)cc2C1 |r,wU:7.6,wD:10.13,(84.69,-14.49,;83.74,-13.39,;84.35,-12.06,;83.71,-10.78,;84.49,-9.44,;83.46,-8.29,;82.05,-8.91,;80.71,-8.14,;79.38,-8.9,;78.04,-8.14,;78.04,-6.6,;79.38,-5.81,;80.71,-6.6,;76.69,-5.82,;75.36,-6.6,;74.02,-5.82,;72.68,-6.6,;72.68,-8.15,;74.04,-8.92,;75.37,-8.14,;82.19,-10.46,;81.05,-11.4,;79.72,-10.7,;78.44,-11.49,;78.5,-13,;77.18,-13.83,;79.83,-13.71,;81.1,-12.91,;82.34,-13.81,)|
O[C@@H]1Cc2nnc([C@H]3CC[C@@H](CC3)Oc3ccccn3)n2-c2ccc(Cl)cc2C1 |r,wU:7.6,1.0,wD:10.13,(13.29,-32.25,;12.34,-31.15,;12.94,-29.82,;12.31,-28.53,;13.09,-27.19,;12.06,-26.04,;10.65,-26.67,;9.3,-25.9,;7.97,-26.66,;6.64,-25.9,;6.64,-24.35,;7.97,-23.57,;9.3,-24.35,;5.29,-23.58,;3.96,-24.36,;2.61,-23.58,;1.27,-24.36,;1.28,-25.91,;2.63,-26.67,;3.97,-25.9,;10.79,-28.21,;9.65,-29.16,;8.32,-28.45,;7.04,-29.24,;7.09,-30.76,;5.78,-31.58,;8.42,-31.46,;9.69,-30.66,;10.94,-31.56,)|
O[C@H]1Cc2nnc([C@H]3CC[C@@H](CC3)Oc3ccccn3)n2-c2ccc(Cl)cc2C1 |r,wU:7.6,wD:10.13,1.0,(28.94,-32.53,;27.98,-31.43,;28.59,-30.1,;27.96,-28.82,;28.74,-27.48,;27.7,-26.33,;26.29,-26.96,;24.95,-26.18,;23.62,-26.95,;22.28,-26.18,;22.28,-24.64,;23.62,-23.85,;24.95,-24.64,;20.94,-23.86,;19.61,-24.64,;18.26,-23.87,;16.92,-24.65,;16.93,-26.19,;18.28,-26.96,;19.61,-26.18,;26.44,-28.5,;25.29,-29.44,;23.96,-28.74,;22.69,-29.53,;22.74,-31.04,;21.43,-31.87,;24.07,-31.75,;25.34,-30.95,;26.58,-31.85,)|
Cc1ccc-2c(CC(O)Cc3nnc([C@H]4CC[C@@H](CC4)Oc4ccccn4)n-23)c1 |r,wU:14.13,wD:17.20,(55.33,-32.61,;56.65,-31.79,;56.59,-30.27,;57.87,-29.48,;59.2,-30.19,;59.25,-31.7,;60.49,-32.59,;61.89,-32.18,;62.84,-33.28,;62.5,-30.85,;61.86,-29.57,;62.64,-28.22,;61.61,-27.07,;60.2,-27.7,;58.86,-26.93,;57.53,-27.69,;56.19,-26.93,;56.19,-25.38,;57.53,-24.6,;58.86,-25.38,;54.84,-24.61,;53.51,-25.39,;52.17,-24.61,;50.83,-25.39,;50.83,-26.94,;52.19,-27.7,;53.52,-26.93,;60.35,-29.24,;57.98,-32.49,)|
O=C(N1Cc2cccn2Cc2ccccc12)c1ccc(cc1)-c1cccs1
Cc1ccccc1-c1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
CCCc1ccc(cc1)-c1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Cc1ccc(cc1)-c1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
O=C(N1Cc2cccn2Cc2ccccc12)c1ccc(cc1)-c1ccccc1
[O-][N+](=O)c1ccccc1-c1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
Fc1cc(F)cc(c1)-c1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12
CN(C)Cc1ccc2CN(C(=O)c3ccc(cc3)-c3cccs3)c3ccccc3Cn12
O=C(Nc1ccc(cc1)C(=O)N1CCCN(CCCN2CCOCC2)c2ccccc12)c1ccccc1
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCN(CCCN2CCOCC2)c2ccccc12
Cc1ccc(F)cc1C(=O)Nc1ccc(cc1)C(=O)N1CCCN(CCCN2CCOCC2)c2ccccc12
Brc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCN(CCCN2CCOCC2)c2ccccc12
Clc1ccc(C(=O)Nc2ccc(cc2)C(=O)N2CCCN(CCCN3CCOCC3)c3ccccc23)c(Cl)c1
Fc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCN(CCCN2CCOCC2)c2ccccc12
Clc1ccc(cc1Cl)C(=O)Nc1ccc(cc1)C(=O)N1CCCN(CCCN2CCOCC2)c2ccccc12
Fc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N1CCCN(CCCN2CCOCC2)c2ccccc12
O=C(Nc1ccc(cc1)C(=O)N1CCCN(CCCN2CCOCC2)c2ccccc12)c1ccccc1-c1ccccc1
Cc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCN(CCCN2CCOCC2)c2ccccc12
O=C(Nc1ccc(cc1)C(=O)N1CCCN(CCCN2CCOCC2)c2ccccc12)c1ccc(cc1)-c1ccccc1
O=C(Nc1ccc(cc1)C(=O)N1CCCN(CCCN2CCCCC2)c2ccccc12)c1ccccc1-c1ccccc1
CN1CCN(CCCN2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc23)CC1
CCN1CCN(CCCN2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc23)CC1
O=C(Nc1ccc(cc1)C(=O)N1CCCN(CCCN2CCCC2)c2ccccc12)c1ccccc1-c1ccccc1
CCN(CC)CCCN1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc12
CN(C)CCCN1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc12
O=C(Nc1ccc(cc1)C(=O)N1CCCN(CCN2CCOCC2)c2ccccc12)c1ccccc1-c1ccccc1
O=C(Nc1ccc(cc1)C(=O)N1CCCN(CCCCN2CCOCC2)c2ccccc12)c1ccccc1-c1ccccc1
Cc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CCCN(CCCN2CCOCC2)c2ccccc12
Clc1ccc2N(CCCN3CCOCC3)CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c2c1
COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCCN3CCOCC3)c3cc(Cl)ccc23)c(C)c1
Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCN3CCOCC3)c3cc(Cl)ccc23)c(C)c1
Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCCCN3CCOCC3)c3cc(Cl)ccc23)c(C)c1
Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCCCCN3CCOCC3)c3cc(Cl)ccc23)c(C)c1
Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCCc3ccncc3)c3cc(Cl)ccc23)c(C)c1
Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCCN3CCCCC3)c3cc(Cl)ccc23)c(C)c1
Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCC(=O)N3CCOCC3)c3cc(Cl)ccc23)c(C)c1
CN1CCN(CCCNC2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4C)cc3C)c3ccc(Cl)cc23)CC1
CCN(CC)CCCNC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2C)c2ccc(Cl)cc12
Cc1ccc(F)cc1\N=N/c1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Clc1cc(ccc1C(=O)N1Cc2cccn2Cc2ccccc12)\N=N/c1ccccc1
Cc1ccccc1\N=N/c1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Clc1cc(ccc1C(=O)N1Cc2cccn2Cc2ccccc12)\N=N/c1ccccc1-c1ccccc1
Cc1cccc(c1)\N=N/c1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Clc1cc(ccc1C(=O)N1Cc2cccn2Cc2ccccc12)\N=N/c1cccc(c1)-c1ccccc1
Cc1ccc(cc1)\N=N/c1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Fc1ccc(cc1)\N=N/c1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
FC(F)(F)c1ccc(cc1)\N=N/c1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Cc1ccc(F)cc1\N=N\c1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Clc1cc(ccc1C(=O)N1Cc2cccn2Cc2ccccc12)\N=N\c1ccccc1
Cc1ccccc1\N=N\c1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Clc1cc(ccc1C(=O)N1Cc2cccn2Cc2ccccc12)\N=N\c1ccccc1-c1ccccc1
Cc1cccc(c1)\N=N\c1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Clc1cc(ccc1C(=O)N1Cc2cccn2Cc2ccccc12)\N=N\c1cccc(c1)-c1ccccc1
Cc1ccc(cc1)\N=N\c1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Fc1ccc(cc1)\N=N\c1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
FC(F)(F)c1ccc(cc1)\N=N\c1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)Nc2ccccc2C(O)=O)c(Cl)c1
Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C=C3CCC(=O)N3Cc3ccccc23)c(Cl)c1 |t:19|
Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC3C=CC(=O)N3Cc3ccccc23)c(Cl)c1 |w:19.19,c:21|
Cc1ccn(n1)-c1ccc(C(=O)N2C=C3CCC(=O)N3Cc3ccccc23)c(Cl)c1 |t:14|
Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)Nc2ccccc2Cn2cccc2C(O)=O)c(Cl)c1
COc1cc(ccc1NC(=O)c1cc(F)ccc1Cl)C(=O)N1CC[C@@]2(CCC(=C2)C(=O)NS(N)(=O)=O)Cc2ccccc12 |c:29|
COc1cc(NC(=O)c2cc(F)ccc2C)ccc1C(=O)N1CCC2(CCC(=C2)C(O)=O)Cc2ccccc12 |w:24.30,c:29|
OC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3Cl)cc1)c1ccccc1C2 |w:5.4,t:3|
CN(C)CCNC(=O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 |t:8|
COc1cc(ccc1NC(=O)c1cc(F)ccc1Cl)C(=O)N1CC[C@@]2(CCC(=C2)c2ncc[nH]2)Cc2ccccc12 |c:29|
CCOc1cc(ccc1NC(=O)c1cc(F)ccc1Cl)C(=O)N1CC[C@@]2(CCC(=C2)C(O)=O)Cc2ccccc12 |c:30|
OC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 |w:5.4,t:3|
COc1cc(ccc1NC(=O)c1cc(F)ccc1Cl)C(=O)N1CC[C@@]2(CCC(=C2)C(O)=O)Cc2ccccc12 |c:29|
COc1cc(ccc1NC(=O)c1cc(F)ccc1Cl)C(=O)N1CC[C@@]2(CCC(=C2)C2=NCCN2)Cc2ccccc12 |c:29,t:32|
COc1cc(ccc1NC(=O)c1cc(F)ccc1Cl)C(=O)N1CCC2(CCC(=C2)C(O)=O)Cc2ccccc12 |w:24.30,c:29|
COc1cc(ccc1NC(=O)c1cc(F)ccc1Cl)C(=O)N1CC[C@@]2(CCC(=C2)c2nnn[nH]2)Cc2ccccc12 |c:29|
OC(=O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3Cl)cc1)c1ccccc1C2 |t:3|
CNCC1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 |w:5.4,t:3|
OCC1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 |w:4.3,t:2|
COC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 |w:6.5,t:4|
COC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3Cl)cc1)c1ccccc1C2 |w:6.5,t:4|
CC(C)NC1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1
CC(C)N[C@@H]1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1
Clc1ccc2c(c1)CC1(Cc3nnc([C@H]4CC[C@H](Oc5ccccn5)CC4)n3-2)OCCO1
CCOc1ccc(C[C@@H](NC(=O)CC)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)cc1
CCOc1ccc(C[C@@H](NC(=O)CC)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)cc1
CCOc1ccc(C[C@@H](NC(=O)CC)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)cc1
CCOc1ccc(C[C@@H](NC(=O)CC)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)c2ccccc2)cc1
CCOc1ccc(C[C@@H](NC(=O)CC)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)cc1
CCOc1ccc(C[C@@H](NC(=O)CC)C(=O)N2Cc3ccccc3C[C@H]2C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)cc1
CCOc1ccc(C[C@@H](NC(=O)CC)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)cc1
CCOc1ccc(C[C@@H](NC(=O)CC)C(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)cc1
CCOc1ccc(C[C@H](NC(=O)[C@@H](Cc2ccc(OCC)cc2)NC(=O)CC)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)cc1
CCOc1ccc(C[C@@H](NC(=O)CC)C(=O)N[C@@H](Cc2ccc(C)cc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)cc1
CCOc1ccc(C[C@@H](NC(=O)CC)C(=O)N[C@@H](Cc2ccc(C(C)(C)C)cc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)cc1
CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)cc1
CCOc1ccc(C[C@@H](NC(=O)Cc2ccc(C)cc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)cc1
CCOc1ccc(C[C@@H](NC(=O)CC23CC4CC(CC(C4)C2)C3)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)cc1
CCCCCCCCCCCCCCC(=O)N[C@H](Cc1ccc(OCC)cc1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C
CCOc1ccc(C[C@@H](NC(=O)Cc2ccc(C(F)(F)F)cc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)cc1
CCOc1ccc(C[C@@H](NC(=O)Cc2ccc(C(C)(C)C)cc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)cc1
COCc1nnc(-c2ccc(cc2)-c2ccccc2OC)n1-c1ccc(OC)nc1
COCc1nnc(-c2cnc(cn2)-c2ccc(C)c(C)c2)n1-c1ccc(OC)nc1
COCc1nnc(-c2cnc(cn2)-c2ccc(cc2C)C#N)n1-c1ccc(OC)nc1
COCc1nnc(-c2cnc(cn2)-c2ccc(OC)c(C)c2)n1-c1ccc(OC)nc1
CCSc1ccc(c(C)c1)-c1cnc(cn1)-c1nnc(C)n1-c1ccc(OC)nc1
COc1ccc(cn1)-n1c(C)nnc1-c1cnc(cn1)-c1ccc(F)cc1C
COCc1nnc(-c2cnc(cn2)-c2cccc(c2)C#N)n1-c1cccnc1
COCc1nnc(-c2cnc(cn2)-c2ccc(F)c(C)c2)n1-c1ccc(OC)nc1
COCc1nnc(-c2cnc(cn2)-c2cccc(C)c2C)n1-c1ccc(OC)nc1
COCc1nnc(-c2cnc(cn2)-c2ccccc2)n1-c1ccc(OC)nc1
COc1ccc(cc1)-n1c(C)nnc1-c1ccc(cc1)-c1ccccc1OC
CCOc1ccc(cc1C)-c1nnc(C)n1-c1ccc(OC)nc1
CCOc1ccc(cc1C)-c1nnc(COC)n1-c1ccc(OC)nc1
CCOc1ccc(cc1C(F)(F)F)-c1nnc(COC)n1-c1ccc(OC)nc1
CCOc1ccc(cc1Cl)-c1nnc(COC)n1-c1ccc(OC)nc1
CCOc1ccc(cc1C)-c1nnc(Cn2nccn2)n1-c1ccc(OC)nc1
CCOc1ccc(cc1C)-c1nnc(COCCOC)n1-c1ccc(OC)nc1
CCOCc1nnc(-c2ccc(OCC)c(C)c2)n1-c1ccc(OC)nc1
CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12)C(=O)N(C)C |r|
CCO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12)C(=O)N(C)C |r|
CN(C)C(=O)[C@@H]1C[C@H](CN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12)OC(C)(C)C |r|
CN(C)C(=O)[C@@H]1C[C@H](CN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12)OCc1ccccc1 |r|
CN(C)C(=O)[C@@H]1CC(=O)CN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12 |r|
CN(C)C(=O)[C@@H]1CC(CN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12)C(F)F |r|
COC(OC)C1C[C@H](N(C1)C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12)C(=O)N(C)C |r|
CN(C)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCC(O)c2ccccc12 |r|
CC1CCCN(C(=O)c2ccc(CNC(=O)N3CCC[C@H]3C(=O)N(C)C)c(C)c2)c2ccccc12 |r|
CN(C)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCC(F)(F)c2ccccc12 |r|
CN(C)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCOc2ccccc12 |r|
CN(C)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1Cc2cccn2Cc2ccccc12 |r|
CN(C)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCc2ccccc2-c2ccccc12 |r|
CN(C)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCc2cccn2-c2ccccc12 |r|
Cc1cc(ccc1CNC(=O)Nc1c(F)cccc1F)C(=O)N1CCCCc2ccccc12
CN(C)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12 |r|
CN(C)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12 |r|
CN(C)C(=O)CNC(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12
CCc1cc(ccc1CNC(=O)Nc1c(F)cccc1F)C(=O)N1CCCCc2ccccc12
Cc1cc(cc(C)c1CNC(=O)Nc1c(F)cccc1F)C(=O)N1CCCCc2ccccc12
Cc1cc(ccc1CNC(=O)Nc1ccccc1F)C(=O)N1CCCCc2ccccc12
Cc1cc(ccc1CNC(=O)Nc1ccccc1)C(=O)N1CCCCc2ccccc12
Cc1cc(ccc1CNC(=O)Nc1ccc[nH]c1=O)C(=O)N1CCCCc2ccccc12
Cc1cc(ccc1CNC(=O)NCC(O)=O)C(=O)N1CCCCc2ccccc12
COC(=O)CNC(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12
CCOC(=O)CNC(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12
CC(C)OC(=O)CNC(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12
Cc1cc(ccc1CNC(=O)NCC(=O)OC(C)(C)C)C(=O)N1CCCCc2ccccc12
Cc1cc(ccc1CNC(=O)NCC(=O)Oc1ccccc1)C(=O)N1CCCCc2ccccc12
Cc1cc(ccc1CNC(=O)NCC(=O)OCc1ccccc1)C(=O)N1CCCCc2ccccc12
Cc1cc(ccc1CNC(=O)NCC(N)=O)C(=O)N1CCCCc2ccccc12
Cc1cc(ccc1CNC(=O)NCC(=O)NCc1ccccc1)C(=O)N1CCCCc2ccccc12
Cc1cc(ccc1CNC(=O)NCC(=O)N1CCCC1)C(=O)N1CCCCc2ccccc12
Cc1cc(ccc1CNC(=O)NCC(=O)N1CCCCC1)C(=O)N1CCCCc2ccccc12
Cc1cc(ccc1CNC(=O)N1CCC[C@H]1C(O)=O)C(=O)N1CCCCc2ccccc12 |r|
COC(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12 |r|
CC(C)OC(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12 |r|
Cc1cc(ccc1CNC(=O)N1CCC[C@H]1C(=O)OC(C)(C)C)C(=O)N1CCCCc2ccccc12 |r|
CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12 |r|
CN(C)C(=O)[C@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12 |r|
CN(C)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12 |r|
Fc1cccc(F)c1NC(=O)NCc1ccc(cc1)C(=O)N1CCCCc2ccccc12
Fc1cc(CNC(=O)Nc2c(F)cccc2F)ccc1C(=O)N1CCCCc2ccccc12
Fc1cccc(F)c1NC(=O)NCc1ccc(C(=O)N2CCCCc3ccccc23)c(Cl)c1
COc1cc(CNC(=O)Nc2c(F)cccc2F)ccc1C(=O)N1CCCCc2ccccc12
COc1cc(C)cc2COC(=O)c3c(Oc12)ccc([C@H](CC(C)C)OC(C)=O)c3OC
COc1c(ccc2Oc3c(O)cc(C)cc3COC(=O)c12)[C@H](CC(C)C)OC(C)=O
CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)CC(NCCO)C1=O
CN(CCO)C1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)C1=O |TLB:9:10:34:14.13|
CCN(CC)[C@@H]1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)C1=O |TLB:9:10:34:14.13|
CN(C)CCCNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)C1=O
CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)C[C@@H](NCc2ccccc2)C1=O
CCNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)C1=O
C[C@@H](O)CNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)C1=O
CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)C[C@H](NCc2ccccc2)C1=O
CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)CC(NCCN)C1=O
CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)C[C@H](N)C1=O |THB:27:25:1:5.4|
CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)C[C@@H](N)C1=O |THB:27:25:1:5.4|
CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)CC(NCC(O)=O)C1=O
CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)C[C@@H](O)C1=O
COC(=O)CNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)C1=O
CC(=O)OC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)C1=O
CN(C)CCNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)C1=O
CCN(CC)[C@H]1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)C1=O |TLB:9:10:34:14.13|
CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)C=CC1=O |c:35|
CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)C[C@H](O)C1=O
C[C@H](CO)NC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)C1=O
CN(C)CCSC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)C1=O
N[C@@H]1CSSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
COc1ccc(cn1)-n1c(C)nnc1N1CCC(CC1)Oc1ccccc1
COc1ccc(cn1)-n1c(C)nnc1N1CCC(CC1)Oc1ccccc1C
COc1ccc(cn1)-n1c(C)nnc1N1CCC(CC1)Oc1ccc(F)cc1C
COc1ccc(cn1)-n1c(C)nnc1N1CCC(CC1)Oc1cccc(F)c1C
COc1ccc(cn1)-n1c(C)nnc1N1CCC(CC1)Oc1cc(F)cc(F)c1C
COCc1nnc(N2CCC(CC2)Oc2ccccc2C)n1-c1ccc(OC)nc1
COc1ccc(cn1)-n1c(C)nnc1N1CC[C@H](C1)Oc1ccccc1 |r|
COc1ccc(cn1)-n1c(C)nnc1N1CC[C@H](C1)Oc1ccccc1C |r|
COc1ccc(cn1)-n1c(C)nnc1N1CC[C@H](C1)Oc1ccc(F)cc1C |r|
COCc1nnc(N2CC[C@H](C2)Oc2ccccc2C)n1-c1ccc(OC)nc1 |r|
COCc1nnc(N2CC[C@H](C2)Oc2ccc(F)cc2C)n1-c1ccc(OC)nc1 |r|
COCc1nnc(N2CC[C@H](C2)Oc2cc(F)cc(F)c2C)n1-c1ccc(OC)nc1 |r|
COCc1nnc(N2CC[C@@H](C2)Oc2ccccc2C)n1-c1ccc(OC)nc1 |r|
COc1ccc(cn1)-n1c(C)nnc1N1CC(C1)Oc1ccccc1
COc1ccc(cn1)-n1c(C)nnc1N1CC(C1)Oc1ccccc1Cl
COCc1nnc(N2CC(C2)Oc2ccccc2Cl)n1-c1ccc(OC)nc1
COc1ccc(cn1)-n1c(C)nnc1N1CC(C1)Oc1ccc(F)cc1Cl
COc1ccc(cn1)-n1c(C)nnc1N1CC(C1)Oc1ccc(F)cc1C
COc1ccc(cn1)-n1c(C)nnc1N1CC(C1)Oc1cc(F)ccc1C
COCc1nnc(N2CC(C2)Oc2ccc(F)cc2C)n1-c1ccc(OC)nc1
COc1ccc(cn1)N(C)C(=O)c1cnc(cn1)-c1ccccc1C
CCN(C(=O)c1cnc(cn1)-c1ccccc1C)c1ccc(OC)nc1
COc1ccc(cn1)N(C(C)C)C(=O)c1cnc(cn1)-c1ccccc1C
COCCN(C(=O)c1cnc(cn1)-c1ccccc1C)c1ccc(OC)nc1
COc1ccc(cn1)N(C)C(=O)c1cnc(cn1)-c1ccc(cc1C)C#N
CCN(C(=O)c1cnc(cn1)-c1ccc(cc1C)C#N)c1ccc(OC)nc1
COCCN(C(=O)c1cnc(cn1)-c1ccc(cc1C)C#N)c1ccc(OC)nc1
CCN(C(=O)c1cnc(cn1)-c1cccc(F)c1C)c1ccc(OC)nc1
CCN(C(=O)c1cnc(cn1)-c1cccc(C)c1C)c1ccc(OC)nc1
COc1ccc(cn1)N(C(C)C)C(=O)c1cnc(cn1)-c1cccc(C)c1C
COCCN(C(=O)c1cnc(cn1)-c1cccc(C)c1C)c1ccc(OC)nc1
CC(=O)Nc1cccc(c1)-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c(Cl)c1Cl |r|
CC(=O)Nc1cccc(c1)-c1cc(Cl)c(cc1Cl)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
CC(=O)Nc1cccc(c1)-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c(Cl)c1 |r|
COc1cc(c(Cl)cc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2)-c1cccc(NC(C)=O)c1 |r|
CC(=O)Nc1cccc(c1)-c1ccc(-c2ccc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)c(Cl)c2)c2ccccc12 |r|
C[C@@]12C[C@@H](CC(C)(C)C1)N(C2)C(=O)c1ccc(cc1Cl)-c1ccc(c(Cl)c1Cl)-c1cccc2cccnc12 |r|
C[C@@]12C[C@@H](CC(C)(C)C1)N(C2)C(=O)c1ccc(cc1Cl)-c1cc(Cl)c(cc1Cl)-c1cccc2cccnc12 |r|
C[C@@]12C[C@@H](CC(C)(C)C1)N(C2)C(=O)c1ccc(cc1Cl)-c1ccc(cc1Cl)-c1cccc2cccnc12 |r|
COc1cc(c(Cl)cc1-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c(Cl)c1)-c1cccc2cccnc12 |r|
C[C@@]12C[C@@H](CC(C)(C)C1)N(C2)C(=O)c1ccc(cc1Cl)-c1ccc(-c2cccc3cccnc23)c2ccccc12 |r|
Cc1ccccc1-c1ccc(cc1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Cc1ccccc1-c1ccc(cc1)C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 |r|
Cc1ccccc1-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c(Cl)c1 |r|
Cc1ccccc1-c1ccc(C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c(Cl)c1 |r|
Cc1ccccc1-c1ccc(cc1C)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
Cc1ccccc1-c1ccc(cc1C)C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 |r|
COc1cc(ccc1-c1ccccc1C)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
COc1cc(c(Cl)cc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2)-c1ccccc1C |r|
COc1cc(c(Cl)cc1C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2)-c1ccccc1C |r|
COc1cc(ccc1-c1c(C)cccc1C)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r,wU:23.24,20.22,(7.58,-29.96,;8.94,-30.72,;10.28,-29.93,;10.27,-28.4,;11.6,-27.62,;12.94,-28.38,;12.94,-29.92,;11.61,-30.69,;11.62,-32.23,;10.29,-33,;8.96,-32.23,;10.29,-34.55,;11.62,-35.32,;12.96,-34.54,;12.95,-32.99,;14.29,-32.21,;11.59,-26.08,;10.26,-25.31,;12.92,-25.3,;13.87,-26.51,;15.41,-26.52,;16.03,-27.93,;14.61,-24.55,;13.28,-23.79,;14.67,-23.14,;16.05,-23.83,;16.45,-22.33,;17.54,-23.42,;16.39,-25.33,)|
COc1cc(ccc1-c1ccccc1Oc1ccccc1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
COc1cc(ccc1-c1ccccc1-c1ccccc1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
COc1cc(ccc1-c1cc(Cl)ccc1C)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
COc1cc(ccc1-c1cccc(C)c1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
CNC(=O)c1cccc(c1)-c1ccc(cc1OC)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
COc1cc(ccc1-c1cccc(NC(C)=O)c1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
COc1cc(ccc1-c1cccc(c1)-c1ccccc1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
COc1cc(ccc1-c1ccc(Cl)cc1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
COc1cc(ccc1-c1ccc(Cl)cc1C)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
COc1cc(ccc1-c1ccc(C)cc1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
COc1cc(ccc1-c1ccc(Oc2ccccc2)cc1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
COc1cc(ccc1-c1coc2ccccc12)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
COc1cc(ccc1-c1c(oc2ccccc12)-c1ccccc1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r,wU:30.33,27.31,(-5.1,.21,;-4.01,-.88,;-2.5,-.56,;-2.03,.89,;-.53,1.21,;.49,.08,;.01,-1.38,;-1.48,-1.69,;-1.96,-3.15,;-1.05,-4.39,;-1.95,-5.65,;-3.43,-5.17,;-4.76,-5.95,;-6.1,-5.18,;-6.1,-3.63,;-4.77,-2.86,;-3.43,-3.63,;.49,-4.39,;1.26,-5.73,;2.8,-5.73,;3.57,-4.39,;2.79,-3.05,;1.25,-3.06,;-.06,2.68,;-1.15,3.77,;1.45,3,;2.39,1.79,;3.93,1.78,;4.57,.39,;3.12,3.74,;1.81,4.49,;3.19,5.14,;4.56,4.45,;4.92,5.95,;6.1,4.45,;4.9,2.97,)|
COc1cc(ccc1-c1cc2ccccc2s1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
COc1cc(ccc1-c1csc2ccccc12)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
COc1cc(ccc1-c1cccc2c3ccccc3oc12)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
COc1cc(ccc1-c1c[nH]c2ccccc12)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
COc1cc(ccc1-c1cccc2ccccc12)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
COc1cc(ccc1-c1ccc2ccccc2c1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
COc1ccc2cc(ccc2c1)-c1ccc(cc1OC)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
COc1cc(ccc1-c1cccnc1Cl)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
COc1cc(ccc1-c1cnc2ccccc2c1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
COc1cc(ccc1-c1cccc2ncccc12)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
COc1cc(ccc1-c1cccc2cccnc12)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
COc1cc(ccc1\C=C\c1ccccc1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
COc1cc(ccc1-c1ccc(s1)-c1ccccc1)C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
C[C@@]12C[C@@H](CC(C)(C)C1)N(C2)C(=O)c1ccc(-c2csc3ccccc23)c(Cl)c1Cl |r|
C[C@@]12C[C@@H](CC(C)(C)C1)N(C2)C(=O)c1cc(Cl)c(cc1Cl)-c1csc2ccccc12 |r|
C[C@@]12C[C@@H](CC(C)(C)C1)N(C2)C(=O)c1ccc(cc1Cl)-c1csc2ccccc12 |r|
COc1cc(-c2csc3ccccc23)c(Cl)cc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 |r|
C[C@@]12C[C@@H](CC(C)(C)C1)N(C2)C(=O)c1ccc(cc1Cl)-c1ccc(-c2csc3ccccc23)c2ccccc12 |r|
C[C@@]12C[C@@H](CC(C)(C)C1)N(C2)C(=O)c1ccc(c(Cl)c1Cl)-c1cccc2ccccc12 |r|
C[C@@]12C[C@@H](CC(C)(C)C1)N(C2)C(=O)c1cc(Cl)c(cc1Cl)-c1cccc2ccccc12 |r|
C[C@@]12C[C@@H](CC(C)(C)C1)N(C2)C(=O)c1ccc(cc1Cl)-c1cccc2ccccc12 |r|
COc1cc(c(Cl)cc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2)-c1cccc2ccccc12 |r|
O=C(Cn1c(nc2ccc(OCCCN3CCOCC3)cc2c1=O)-c1ccccc1)NCC1CC1
C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
CCN(Cc1cccnc1)C(=O)c1ccc(Cl)c(c1)[C@]1(C)C(=O)N(Cc2ccc(OC)cc2OC)c2ccc(Cl)cc12 |r|
COc1cc(OC2CCN(Cc3ccc[n+]([O-])c3C)CC2)ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)NN=C1C(=O)Nc2ccccc12)c1ccc(C)cc1 |w:17.17|
FC(F)(F)c1ccc(=O)n(CC(=O)NCc2cc3cc(ccc3o2)C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c1
Cc1ccc(cc1)S(=O)(=O)N1CCC2(CC1)C=Cc1ccccc21 |c:18|
CN(C)CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)Nc2ccccc12)c1ccc(Cl)cc1
COc1ccc(cn1)-n1c(C)nnc1-c1ccc(cc1)-c1ccccc1OC
CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccc(F)cc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccc(cc2)N(C)C)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
COc1cccc(c1)-c1nc2ccc(OCCCN3CCCCC3)cc2c(=O)n1CC(=O)NC(C)C
CC(C)NC(=O)Cn1c(nc2ccc(OCCCN3CCCCC3)cc2c1=O)-c1cccc(Cl)c1
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)NCC(O)=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)c1ccccc1N)C(=O)NCC(O)=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)c1ccc(c(c1)C([O-])=O)-c1c2ccc(N)c(c2oc2c(c(=[NH2+])ccc12)S([O-])(=O)=O)S([O-])(=O)=O)C(=O)NCC(O)=O |r,wU:19.20,4.3,54.58,wD:8.8,40.42,58.61,36.50,(11.79,6.5,;11.79,4.96,;13.13,4.18,;10.45,4.18,;10.45,2.64,;9.11,1.87,;7.78,2.64,;7.78,4.18,;6.44,1.87,;6.44,.33,;7.78,-.45,;9.11,.33,;10.45,-.45,;10.45,-1.99,;9.11,-2.77,;7.78,-1.99,;5.1,2.64,;3.76,1.87,;3.76,.33,;2.42,2.64,;2.42,4.18,;3.76,4.96,;5.1,4.18,;6.44,4.96,;6.44,6.5,;7.78,7.28,;5.1,7.28,;3.76,6.5,;1.09,1.87,;-.25,1.1,;-1.58,1.87,;-.25,-.44,;-1.58,-2.38,;9.79,-6.18,;19.65,-1.87,;18.5,-.42,;18.48,1.12,;17.14,1.87,;15.8,2.64,;15.8,4.18,;14.47,1.87,;14.39,.33,;15.68,-.52,;17.06,.19,;15.6,-2.05,;13.13,2.64,;11.79,1.87,;11.79,.33,;19.8,1.9,;19.79,3.44,;21.15,1.15,;21.61,2.74,;23.28,2.8,;23.84,1.25,;22.49,.51,;22.54,-1.01,;21.2,-1.73,;23.84,-1.8,;23.8,-3.33,;22.46,-4.06,;22.41,-5.58,;21.07,-6.31,;21.03,-7.83,;19.69,-8.56,;18.36,-7.77,;18.38,-6.23,;17.02,-8.53,;16.99,-10.07,;15.65,-10.82,;14.33,-10.02,;14.35,-8.49,;15.68,-7.74,;13.59,-7.15,;14.38,-5.83,;12.05,-7.14,;12.98,-10.78,;12.96,-12.31,;14.29,-13.1,;14.26,-14.64,;12.92,-15.39,;12.9,-16.93,;11.59,-14.6,;11.61,-13.07,;10.28,-12.28,;10.31,-10.73,;8.99,-9.95,;9.01,-8.42,;7.68,-7.63,;10.35,-7.66,;11.67,-8.45,;11.65,-9.98,;7.65,-10.71,;6.32,-9.92,;6.86,-12.03,;8.4,-12.05,;10.25,-15.36,;8.93,-14.58,;9.47,-16.69,;11.01,-16.7,;25.09,-4.13,;26.44,-3.4,;25.05,-5.65,;26.35,-6.45,;26.31,-7.97,;27.61,-8.77,;24.97,-8.7,)|
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCN)C(=O)NCC(O)=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCN)C(=O)NCC(O)=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCN)C(=O)NCC(O)=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(O)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)NCC(O)=O |r|
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CCCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O |r|
CCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNCCC(C)C)C(=O)NCC(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCNC(C)C)C(=O)NCC(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCN)C(=O)NCC(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NC)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCN)C(=O)NCC(N)=O |r|
CCNC(=O)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)[C@@H](C)CC |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC)C(=O)NCC(N)=O |r|
CCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O |r|
CCCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCN)C(=O)NCC(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCN)C(=O)NCC(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccsc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccsc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCN)C(=O)NCC(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)C2(CCC2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)C2(CCC2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCN)C(=O)NCC(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCC2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCC2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCN)C(=O)NCC(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCN)C(=O)NCC(N)=O |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
C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(CC1)N1CCCCC1)N1[C@H](\C=C\c2cccc(I)c2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)c1ccccc1 |r|
C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(CC1)N1CCCCC1)N1[C@H](\C=C\c2cccc(F)c2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)c1ccccc1 |r|
C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(CC1)N1CCCCC1)N1[C@H](\C=C\c2cccc(C)c2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)c1ccccc1 |r|
CC[C@H](C)[C@H]1NC(=O)[C@@]2(CCc3ccccc3C2)NC(=O)CCSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
CC[C@H](C)[C@H]1NC(=O)[C@]2(CCc3ccccc3C2)NC(=O)CCSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
[H][C@]12N(CCc3c1[nH]c1ccccc31)C(=O)CCSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@]([H])(NC2=O)[C@@H](C)CC)C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O |wU:59.62,42.45,1.0,wD:21.54,25.28,33.36,47.51,(5.28,-12.92,;7.12,-12.63,;8.46,-11.86,;8.46,-10.32,;7.12,-9.55,;5.8,-10.32,;5.8,-11.86,;4.32,-12.34,;3.42,-11.09,;1.89,-10.93,;1.27,-9.52,;2.17,-8.27,;3.7,-8.44,;4.32,-9.85,;9.97,-11.53,;9.88,-10,;11.49,-11.7,;12.91,-12.33,;14.05,-13.35,;14.82,-14.69,;15.14,-16.21,;14.98,-17.73,;14.35,-19.14,;13.33,-20.28,;14.28,-21.17,;11.99,-21.06,;12.54,-22.49,;14.06,-22.73,;14.61,-24.17,;15.1,-21.86,;10.49,-21.38,;8.95,-21.21,;8.55,-22.7,;7.54,-20.58,;6.71,-21.87,;7.4,-23.25,;6.57,-24.54,;5.03,-24.46,;7.26,-25.92,;6.4,-19.54,;5.62,-18.22,;4.19,-18.78,;5.31,-16.72,;4.02,-15.37,;5.46,-15.18,;6.1,-13.77,;4.91,-13.32,;3.77,-16.8,;2.93,-15.51,;3.07,-18.16,;1.52,-18.26,;16.47,-18.12,;17.56,-17.04,;16.87,-19.61,;15.77,-20.71,;18.36,-20.01,;19.45,-18.93,;19.05,-17.44,;20.93,-19.33,;22.01,-18.24,;21.62,-16.75,;22.71,-15.66,;22.31,-14.16,;23.4,-13.07,;23.01,-11.6,;24.08,-10.51,;21.51,-11.2,;23.5,-18.64,;23.9,-20.13,;24.6,-17.54,;26.09,-17.94,;27.17,-16.86,;28.67,-17.25,;26.78,-15.37,)|
CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(=O)oc2cc(OC)ccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O
CCc1nccn1-c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N(C)c1ccc(C)cc1OCCCCCC(=O)N1CCN(C)CC1
CN(C(=O)c1ccc(NC(=O)c2ccoc2C)cc1)c1ccccc1-c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCCC1
CCc1nccn1-c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N(C)c1ccc(C)cc1OCc1ccc(cc1)C(=O)N1CCN(C)CC1
CN(C(=O)c1ccc(NC(=O)c2ccoc2C)cc1)c1ccc(C)cc1OCCCCCC(=O)N1CCN(C)CC1
Nc1nc(cs1)-c1ccc2NC(=O)C(=Cc3cc(Br)c(O)c(Br)c3)c2c1
CN(C(=O)c1ccc(NC(=O)c2ccoc2C)cc1)c1ccccc1Oc1cccc(c1)C(=O)N1CCC(CC1)N1CCCCC1
CN(C(=O)c1ccc(NC(=O)c2ccoc2C)cc1)c1ccccc1Oc1ccccc1C(=O)N1CCC(CC1)N1CCCCC1
CN(C(=O)c1ccc(NC(=O)c2ccoc2C)cc1)c1ccc(C)cc1OCc1ccc(cc1)C(=O)N1CCC(CC1)N1CCCCC1
CN(C)C1CCN(CC1)C(=O)\C=C1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(NC(=O)c2ccoc2C)cc1
CN(C(=O)c1ccc(NC(=O)c2ccoc2C)cc1)c1ccc(C)cc1OCCCCCC(=O)N1CCC(CC1)N1CCCCC1
Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1C[C@@H]2COCCN2Cc2ccccc12 |r|
COc1cccc(c1)-c1ccccc1C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc23)c(Cl)c1
Cc1ccc2CN3CCSCC3CN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c2c1
Fc1ccc(-c2ccccc2)c(c1)C(=O)Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc23)c(Cl)c1
Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc23)c(Cl)c1
Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1C[C@H]2COCCN2Cc2ccccc12
O=C(Nc1ccc(cc1)C(=O)N1C[C@@H]2CSCCN2Cc2ccccc12)c1ccccc1-c1ccccc1
O=C(Nc1ccc(cc1)C(=O)N1CC2CS(=O)(=O)CCN2Cc2ccccc12)c1ccccc1-c1ccccc1
Fc1ccc(-c2ccccc2)c(c1)C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc23)c(Cl)c1
COc1ccc(C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc34)c(Cl)c2)c(c1)-c1ccccc1
O=C(Nc1ccc(cc1)C(=O)N1CC2CSCCN2Cc2ccccc12)c1ccccc1-c1ccccc1
Oc1ccc(-c2ccccc2)c(c1)C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc23)c(Cl)c1
COc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc23)c(Cl)c1
O=C(Nc1ccc(cc1)C(=O)N1C[C@H]2CSCCN2Cc2ccccc12)c1ccccc1-c1ccccc1
Oc1ccc(C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc34)c(Cl)c2)c(c1)-c1ccccc1
Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc23)c(Cl)c1
Oc1cccc(c1)-c1ccccc1C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc23)c(Cl)c1
Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1C[C@H]2CSCCN2Cc2ccccc12
Fc1ccc(C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc34)c(Cl)c2)c(c1)-c1ccccc1
O=C(Nc1ccc(cc1)C(=O)N1C[C@H]2COCCN2Cc2ccccc12)c1ccccc1-c1ccccc1
Oc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc23)c(Cl)c1
Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CC2CSCCN2Cc2ccccc12
Oc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CC2CSCCN2Cc2ccccc12
Cc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CC2CSCCN2Cc2ccccc12
Fc1ccc2CN3CCSCC3CN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c2c1
Fc1ccc(C(=O)Nc2ccc(C(=O)N3CC4CSCCN4Cc4ccccc34)c(Cl)c2)c(c1)-c1ccccc1
Fc1ccc2CN3CCSCC3CN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c2c1F
COc1ccc(-c2ccccc2)c(c1)C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc23)c(Cl)c1
COc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CC2CSCCN2Cc2ccccc12
Clc1cccc2CN3CCSCC3CN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c12
Fc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CC2CSCCN2Cc2ccccc12
CN(C)CCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3C)cc1)c1ccccc1C2 |t:8|
CN(C)CCNC(=O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 |r,t:8|
CN(C)CCCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 |t:9|
CN(C)CCNC(=O)C1=C[C@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 |r,t:8|
Fc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCC(=C2)C(=O)NCCN2CCCCC2)Cc2ccccc12 |c:26|
Fc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCC(=C2)C(=O)NCCN2CCCC2)Cc2ccccc12 |c:26|
COC(=O)CNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3C)cc1)c1ccccc1C2 |t:8|
OCCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 |t:6|
CN(C)CCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 |t:8|
Cc1ccc(F)cc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCC(=C2)C(=O)NCCN2CCCC2)Cc2ccccc12 |c:27|
CN(C)CCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 |t:8|
OCCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 |t:6|
CN(C)CCCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3C)cc1)c1ccccc1C2 |t:9|
OC(=O)CNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 |t:7|
Cc1ccc(F)cc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCC(=C2)C(=O)NCCN2CCCCC2)Cc2ccccc12 |c:27|
Fc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC2(CCC(=C2)C(=O)NCCN2CCOCC2)Cc2ccccc12 |c:26|
CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN(C)N2C(=O)[C@H]2CCCN(C)N2C1=O
CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCNN2C(=O)[C@H]2CCCNN2C1=O
CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC(=O)NN2C(=O)[C@H]2CCC=NN2C1=O |c:54|
CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2C=CC=NN2C(=O)[C@H]2CCC=NN2C1=O |c:42,44,53|
CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC(=O)NN2C(=O)[C@H]2CCCNN2C1=O
CC[C@@H](C)[C@@H]1NC(=S)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O |c:44,53|
CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O |c:44,53|
CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2C[C@@H](CN(C)C)C=NN2C(=O)[C@H]2CCC=NN2C1=O |c:48,57|
CC[C@@H](C)[C@@H]1NC[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O |c:43,52|
CC[C@@H](C)[C@@H]1N(O)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCNN2C(=O)[C@H]2CCCNN2C1=O
CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(cc2)N=[N+]=[N-])NC(=O)C(C)(C)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
COc1ccc(C[C@@H]2NC(=O)C3(CCCC3)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC2=O)C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)cc1
CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCCN2C1=O
CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCCN2C1=O
CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCC=NN2C1=O |c:56|
[H][C@@]12CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@]1([H])CCCCN1C(=O)[C@@]1([H])CCC=NN1C(=O)[C@@]([H])(NC(=O)[C@@H](Cc1ccccc1)NC2=O)[C@@H](C)CC |c:36|
CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
CCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCC=NN2C1=O |c:52|
CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CNCCN2C(=O)[C@H]2CCCCN2C1=O
CC(C)C[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCCN2C1=O
CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCCN2C1=O
CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)cc1
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CC2(CCCCC2)SSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
CN(CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)C(=O)[C@H]1CSSC2(CCCCC2)CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)cc1
CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)cc1
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N(C)CC(=O)NCC(N)=O
CN(CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSC2(CCCCC2)CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CCSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
CC[C@H](C)[C@@H]1NC(=O)CC2(CCCCC2)SSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
CN(CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSC2(CCCCC2)CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
CC[C@@H](C)[C@H]1NC(=O)[C@](C)(NC(=O)CC2(CCCCC2)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](NC1=O)[C@@H](C)O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=O)c1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@H](C(N)=O)c1ccc(O)cc1)c1ccc(O)cc1
CC[C@@H](C)[C@H]1NC(=O)[C@](C)(NC(=O)CC2(CCCCC2)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](NC1=O)[C@@H](C)O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@H](C(N)=O)c1ccc(O)cc1)c1ccc(O)cc1
CC[C@@H](C)[C@H]1NC(=O)[C@@H](NC(=O)CCSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](NC1=O)C(C)O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCNC(=O)c1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)NCN)c1ccc(O)cc1
CC[C@@H](C)[C@H]1NC(=O)[C@@H](NC(=O)CCSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=O)c1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)NCN)c1ccc(O)cc1
CC[C@@H](C)[C@H]1NC(=O)[C@@H](NC(=O)C(O)CSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](NC1=O)C(C)O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCNC(=O)c1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)NCN)c1ccc(O)cc1
CC[C@@H](C)[C@H]1NC(=O)[C@@H](NC(=O)CC2(CCCCC2)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](NC1=O)C(C)O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=O)c1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(O)=O)c1ccc(O)cc1
CC[C@@H](C)[C@H]1NC(=O)[C@@H](NC(=O)C(O)CSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](NC1=O)C(C)O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=O)c1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)NCN)c1ccc(O)cc1
CC[C@@H](C)[C@H]1NC(=O)[C@@H](NC(=O)CCSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCNC(=O)c1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)NCN)c1ccc(O)cc1
CC[C@@H](C)[C@H]1NC(=O)[C@@H](NC(=O)CCSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](NC1=O)[C@H](C)O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=O)c1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)NCN)c1ccc(O)cc1
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CCCC1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
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NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NC(Cc2cccs2)C(=O)N[C@H](CC(N)=O)C(=O)N1
NCCCCC1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NCC(=O)N[C@H](CC(N)=O)C(=O)N1
CCCCC1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NC(CCC(O)=O)C(=O)N[C@H](CC(N)=O)C(=O)N1
CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NC(CC2CCCCC2)C(=O)N[C@H](CC(N)=O)C(=O)N1
NCC1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NC(CO)C(=O)N[C@H](CC(N)=O)C(=O)N1
NCCC1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)N[C@H](CC(N)=O)C(=O)N1
NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NC(Cc2ccc(O)cc2)C(=O)N[C@H](CC(N)=O)C(=O)N1
NCCCC1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NC(CC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)N1
CC(O)C1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NC(CCCCNC(N)=N)C(=O)N[C@H](CC(N)=O)C(=O)N1
[#6]-[#6]-[#6@H](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#6]-[#16]-[#16]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O
CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
O=C(Nc1ccc(cc1)C(=O)N1CCCCc2sccc12)c1ccccc1-c1ccccc1
CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccsc12
CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccsc12
O=C(Nc1ccc(cc1)C(=O)N1CCCCc2[nH]ccc12)c1ccccc1-c1ccccc1
O=C(Nc1ccc(cc1)C(=O)N1CCCCc2occc12)c1ccccc1-c1ccccc1
Cn1ccc2N(CCCCc12)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1
Clc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2sccc12
CN(CCc1cccnc1)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccsc12
COc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CCCCc2sccc12
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2sccc12
CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)NN=C1C(=O)NC2C=CCC=C12)c1ccc(C)cc1 |w:17.17,c:24,t:27|
Cn1ccc(n1)-c1ccc(C(=O)N2Cc3cccnc3Nc3ccccc23)c(Cl)c1
Cc1ccnn1-c1ccc(C(=O)N2Cc3cccnc3Nc3ccccc23)c(Cl)c1
Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccnc3Nc3ccccc23)c(Br)c1
Cc1ccnn1-c1ccc(C(=O)N2Cc3cccnc3Nc3ccccc23)c(c1)C(F)(F)F
Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccnc3Nc3ccccc23)c(c1)C(F)(F)F
Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccnc3Nc3ccccc23)c(Cl)c1
CN1c2ccccc2N(Cc2cccnc12)C(=O)c1ccc(cc1Cl)-n1ccc(C)n1
Cc1ccn(n1)-c1ccc(C(=O)N2Cc3cccnc3Nc3ccccc23)c(F)c1
NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
NCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CN)C(=O)NCC(N)=O
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCN)C(=O)NCC(N)=O
[#7]-[#6](=O)-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O
NCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)NCC(N)=O
NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
[#7]-[#6](=O)-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@@H](-[#6]-c2cccnc2)-[#7]-[#6](=O)-[#6]-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O
[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H]-1-[#6]-[#16]-[#16]-[#6]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-1
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H]-1-[#6]-[#16]-[#16]-[#6]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-1
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
[#6]-[#6](-[#6])-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O
NC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
[#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O
[#7]-[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O
NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
[#6]-[#6]-1-[#6]C([#6])([#6])[#7]=[#6]-2-[#6]-1-[#6]-[#6]-1=[#6](-c3cc4-[#6](-[#6])-[#6]C([#6])([#6])[#7]-c4c(c3-[#8]-[#6]-1-[#6]-2S([#8-])(=O)=O)S([#8-])(=O)=O)-c1c(Cl)c(-[#16]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7](-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O)-[#6](=O)-[#6@H]-2-[#6]-[#6]-[#7](-[#6]-2)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7](-[#6])-[#6](=O)-[#6]-[#6]-c2ccc(-[#8])cc2)c(Cl)c(Cl)c1-[#6](-[#8-])=O |c:6,t:11|
CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CC[C@@H](C1)C(=O)N([C@@H](CCCCN)C(N)=O)C(=O)c1ccc(c(c1)C([O-])=O)-c1c2ccc(N)c(c2oc2c(c(=[NH2+])ccc12)S([O-])(=O)=O)S([O-])(=O)=O)C(=O)CCc1ccc(O)cc1 |wU:14.14,55.59,2.1,34.35,wD:42.43,60.62,25.26,(1.76,-36.72,;1.76,-38.26,;3.1,-39.04,;3.1,-40.58,;4.44,-41.34,;4.43,-42.88,;5.77,-43.65,;7.1,-42.87,;8.44,-43.65,;7.1,-41.33,;5.77,-40.57,;4.43,-38.26,;4.43,-36.72,;5.77,-39.03,;7.11,-38.26,;7.1,-36.72,;8.44,-35.95,;9.77,-36.71,;11.1,-35.95,;11.1,-34.4,;9.76,-33.63,;8.43,-34.41,;8.44,-39.03,;8.44,-40.57,;9.78,-38.25,;11.11,-39.02,;11.11,-40.57,;12.44,-41.33,;12.45,-42.87,;13.78,-43.64,;11.11,-43.65,;12.44,-38.25,;12.44,-36.71,;13.78,-39.02,;15.11,-38.24,;15.11,-36.7,;16.44,-35.93,;17.78,-36.7,;16.44,-34.39,;16.45,-39.02,;16.45,-40.56,;17.78,-38.24,;19.12,-39.01,;19.12,-40.55,;20.46,-41.32,;20.46,-42.86,;21.79,-43.63,;21.79,-45.17,;23.13,-45.94,;20.47,-45.94,;20.45,-38.24,;20.45,-36.69,;21.78,-39,;22.55,-40.34,;24.06,-40.01,;24.22,-38.47,;22.81,-37.86,;25.56,-37.7,;25.56,-36.16,;26.9,-38.47,;26.9,-40.01,;25.56,-40.79,;25.56,-42.33,;24.23,-43.09,;24.23,-44.63,;25.56,-45.41,;28.24,-40.79,;28.23,-42.33,;29.57,-40.02,;28.23,-37.71,;29.56,-38.48,;28.23,-36.17,;29.56,-35.41,;29.56,-33.87,;28.23,-33.12,;26.91,-33.87,;26.9,-35.4,;25.41,-33.48,;24.33,-34.56,;25.01,-32,;28.23,-31.58,;29.56,-30.81,;30.88,-31.57,;32.21,-30.81,;32.21,-29.27,;33.54,-28.51,;30.88,-28.51,;29.56,-29.27,;28.23,-28.5,;26.9,-29.27,;25.58,-28.5,;24.25,-29.27,;22.92,-28.5,;24.25,-30.8,;25.57,-31.57,;26.9,-30.81,;25.58,-26.97,;25.56,-25.44,;27.11,-26.96,;24.04,-26.97,;30.88,-26.98,;30.87,-25.45,;29.35,-26.98,;32.42,-26.97,;.44,-39.04,;.44,-40.58,;-.9,-38.27,;-2.23,-39.05,;-3.59,-38.27,;-4.93,-39.05,;-6.25,-38.27,;-6.24,-36.73,;-7.58,-35.96,;-4.92,-35.96,;-3.58,-36.72,)|
CC[C@H](C)[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](c2coc(n2)C)C(=O)N3CCOCC3)C4Cc5ccccc5C4
Cc1cc(ccc1-c1ccccc1)C(=O)N(CC1CC1)CC1CCCO1
COc1ccc(c(OC)c1)S(=O)(=O)N1C(CCS(=O)(=O)N2CCC(CC2)NCC2CCCCC2)CCc2ccccc12
CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1 |r|
CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1Cc2cccn2Cc2ccccc12 |r|
Cc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCNc2ccccc12 |r|
CN(C)C(=O)NCc1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Cc1cc(ccc1CNC(=O)N1CCCC1)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
Cc1ccn(n1)-c1ccc(cc1C)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(OC\C=C\I)c1
CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(OC\C=C/I)c1
CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(OCCF)c1
COc1cc(OC2CCN(CC2)S(C)(=O)=O)ccc1CC(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12
CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(O)c1
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@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2ccc(C)nc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 |r|
CCN1\C(=C\C=C\C=C\C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc34)nn2)c2cc(ccc12)S(O)(=O)=O |c:9|
OC(=O)c1cc(NC(=S)NCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc34)nn2)ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12 |(30.96,-29.16,;30.97,-27.63,;29.62,-28.36,;31.01,-26.09,;29.7,-25.29,;29.75,-23.75,;28.43,-22.94,;28.48,-21.4,;29.83,-20.67,;27.16,-20.6,;27.2,-19.06,;25.89,-18.25,;25.93,-16.71,;24.62,-15.91,;24.66,-14.37,;23.34,-13.56,;23.38,-12.02,;22.07,-11.22,;22.11,-9.68,;20.8,-8.87,;19.48,-9.65,;19.48,-11.19,;18.26,-12.12,;18.78,-13.58,;17.91,-14.85,;16.37,-14.85,;15.6,-16.19,;16.38,-17.52,;14.06,-16.19,;13.3,-17.54,;11.74,-17.54,;10.97,-16.2,;10.98,-18.88,;11.73,-20.18,;13.29,-20.17,;14.27,-21.36,;13.94,-22.87,;12.54,-23.56,;12.52,-25.13,;11.18,-25.89,;13.86,-25.9,;15.21,-25.14,;16.53,-25.91,;16.52,-27.45,;17.84,-28.22,;19.18,-27.45,;19.18,-25.91,;20.51,-28.23,;20.5,-29.78,;21.83,-30.55,;23.18,-29.78,;23.18,-28.24,;21.83,-27.46,;21.84,-25.92,;23.18,-25.16,;23.18,-23.63,;21.85,-22.85,;20.5,-23.63,;20.5,-25.16,;15.18,-28.22,;13.85,-27.45,;11.14,-22.9,;10.03,-23.98,;8.54,-23.56,;8.15,-22.04,;9.28,-20.96,;10.77,-21.39,;20.31,-13.54,;20.75,-12.06,;31.09,-23.01,;32.41,-23.81,;32.37,-25.36,;33.68,-26.15,;34.98,-25.34,;34.93,-23.82,;36.22,-23,;37.58,-23.72,;38.89,-22.91,;37.63,-25.26,;36.33,-26.06,;36.4,-27.61,;35.08,-28.42,;35.13,-29.95,;33.83,-30.76,;33.88,-32.3,;32.47,-30.03,;32.43,-28.5,;33.73,-27.69,)|
CCN1\C(=C\C=C\C=C\C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCOCCOCCOCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc34)nn2)c2cc(ccc12)S(O)(=O)=O |c:9|
CCN1\C(=C\C=C\C=C\C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc34)nn2)c2cc(ccc12)S(O)(=O)=O |c:9|
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCOCCOCCOCCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc34)c3ccc(cc3oc2c1)=[N+](CC)CC |(51.81,4.38,;50.27,4.42,;49.46,3.11,;50.2,1.76,;51.74,1.71,;47.92,3.16,;47.12,1.84,;45.58,1.88,;44.86,3.22,;43.41,3.2,;42.63,1.89,;41.08,1.9,;40.29,.58,;41.04,-.76,;42.59,-.79,;43.38,.53,;44.91,.51,;45.66,-.84,;46.41,.91,;44.93,2.06,;40.25,-2.08,;41.58,-2.86,;40.23,-3.62,;38.71,-2.09,;37.95,-3.42,;36.4,-3.43,;35.64,-4.77,;34.1,-4.77,;33.34,-6.11,;31.8,-6.12,;31.03,-7.45,;29.49,-7.46,;28.73,-8.79,;27.19,-8.8,;26.42,-10.14,;24.88,-10.14,;24.11,-8.81,;24.12,-11.48,;24.87,-12.78,;26.41,-12.77,;27.4,-13.96,;27.06,-15.47,;25.66,-16.16,;25.65,-17.73,;24.32,-18.5,;26.98,-18.51,;26.97,-20.05,;28.3,-20.82,;29.64,-20.05,;30.97,-20.82,;32.3,-20.06,;32.31,-18.52,;33.63,-20.83,;33.63,-22.38,;34.96,-23.15,;36.3,-22.38,;36.3,-20.84,;34.96,-20.07,;34.97,-18.53,;36.3,-17.76,;36.3,-16.22,;34.97,-15.45,;33.63,-16.23,;33.63,-17.76,;29.65,-18.52,;28.33,-17.74,;24.28,-15.51,;23.16,-16.59,;21.67,-16.16,;21.29,-14.64,;22.41,-13.56,;23.91,-14,;42.59,4.61,;41.06,4.65,;40.32,5.97,;41.12,7.29,;42.64,7.26,;43.38,5.92,;44.92,5.9,;45.66,4.54,;47.2,4.5,;40.38,8.65,;41.18,9.96,;40.44,11.31,;38.84,8.68,;38.1,10.02,)|
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)N3CCN(CCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6-c6ccccc6)cc5)c5ccccc45)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC |(24.73,-1.99,;23.19,-1.95,;22.38,-3.27,;23.12,-4.62,;24.66,-4.66,;20.84,-3.22,;20.04,-4.53,;18.51,-4.48,;17.78,-3.15,;16.34,-3.17,;15.55,-4.49,;14,-4.47,;13.21,-5.79,;13.96,-7.13,;15.51,-7.16,;16.3,-5.84,;17.84,-5.86,;18.58,-7.21,;19.33,-5.47,;17.86,-4.32,;13.17,-8.45,;14.5,-9.22,;13.15,-9.98,;11.63,-8.43,;10.87,-9.77,;9.33,-9.77,;8.56,-8.44,;7.02,-8.45,;6.25,-9.79,;4.71,-9.79,;3.94,-8.46,;3.95,-11.13,;4.7,-12.43,;6.25,-12.42,;7.23,-13.61,;6.9,-15.12,;5.5,-15.81,;5.48,-17.38,;4.15,-18.15,;6.81,-18.16,;6.81,-19.7,;8.14,-20.47,;9.47,-19.7,;10.8,-20.47,;12.13,-19.71,;12.14,-18.17,;13.46,-20.48,;13.46,-22.03,;14.79,-22.8,;16.13,-22.03,;16.13,-20.49,;14.79,-19.72,;14.8,-18.18,;16.13,-17.41,;16.14,-15.87,;14.8,-15.1,;13.46,-15.88,;13.46,-17.41,;9.48,-18.17,;8.16,-17.39,;4.11,-15.16,;3,-16.24,;1.5,-15.81,;1.12,-14.29,;2.25,-13.21,;3.74,-13.64,;9.32,-7.1,;10.87,-7.1,;15.51,-1.75,;13.98,-1.73,;13.24,-.39,;14.04,.93,;15.56,.9,;16.3,-.45,;17.84,-.48,;18.58,-1.84,;20.12,-1.87,;13.3,2.28,;14.1,3.6,;13.36,4.94,;11.76,2.32,;11.02,3.66,)|
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc34)c3ccc(cc3oc2c1)=[N+](CC)CC |(39.65,-33.22,;38.86,-34.54,;39.62,-35.89,;41.16,-35.91,;41.94,-34.59,;38.82,-37.21,;39.57,-38.56,;38.78,-39.87,;37.26,-39.85,;36.57,-41.11,;37.34,-42.45,;36.56,-43.79,;37.33,-45.12,;38.86,-45.12,;39.64,-43.79,;38.88,-42.46,;39.65,-41.13,;41.19,-41.13,;40.04,-39.63,;38.31,-40.35,;39.62,-46.46,;40.95,-45.68,;40.95,-47.23,;38.86,-47.8,;37.32,-47.8,;36.55,-49.14,;35.01,-49.14,;34.25,-50.48,;32.71,-50.49,;31.93,-49.16,;31.94,-51.82,;32.7,-53.12,;34.24,-53.11,;35.22,-54.3,;34.89,-55.82,;33.49,-56.5,;33.47,-58.08,;32.14,-58.84,;34.8,-58.85,;34.8,-60.39,;36.13,-61.16,;37.46,-60.39,;38.79,-61.17,;40.13,-60.4,;40.13,-58.86,;41.46,-61.17,;41.45,-62.72,;42.78,-63.5,;44.12,-62.72,;44.12,-61.18,;42.78,-60.41,;42.8,-58.87,;44.13,-58.11,;44.13,-56.57,;42.8,-55.79,;41.45,-56.58,;41.46,-58.11,;37.48,-58.86,;36.15,-58.08,;32.1,-55.85,;30.99,-56.93,;29.5,-56.5,;29.12,-54.99,;30.24,-53.9,;31.73,-54.34,;34.93,-41.14,;34.16,-42.46,;32.63,-42.45,;31.88,-41.11,;32.65,-39.8,;34.18,-39.81,;34.96,-38.48,;36.51,-38.5,;37.29,-37.18,;30.34,-41.09,;29.58,-39.75,;28.04,-39.74,;29.55,-42.43,;28.01,-42.4,)|
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc34)c3ccc(cc3oc2c1)=[N+](CC)CC |(14.53,-35.6,;13.74,-36.92,;14.49,-38.27,;16.03,-38.29,;16.82,-36.97,;13.7,-39.59,;14.45,-40.93,;13.66,-42.24,;12.14,-42.22,;11.45,-43.49,;12.21,-44.83,;11.44,-46.16,;12.21,-47.5,;13.74,-47.5,;14.52,-46.17,;13.76,-44.83,;14.53,-43.5,;16.07,-43.51,;14.92,-42,;13.19,-42.73,;14.5,-48.83,;15.83,-48.06,;15.83,-49.6,;13.62,-50.1,;14.24,-51.47,;15.78,-51.46,;16.77,-52.65,;16.43,-54.17,;15.03,-54.85,;15.02,-56.42,;13.68,-57.19,;16.35,-57.2,;16.34,-58.74,;17.67,-59.51,;19.01,-58.74,;20.34,-59.52,;21.67,-58.75,;21.68,-57.21,;23,-59.52,;23,-61.07,;24.33,-61.85,;25.67,-61.07,;25.67,-59.53,;24.33,-58.76,;24.34,-57.22,;25.67,-56.46,;25.67,-54.92,;24.34,-54.14,;23,-54.93,;23,-56.46,;19.02,-57.21,;17.7,-56.43,;13.65,-54.2,;12.53,-55.28,;11.04,-54.85,;10.66,-53.34,;11.78,-52.25,;13.28,-52.69,;9.81,-43.52,;9.04,-44.84,;7.51,-44.83,;6.75,-43.49,;7.53,-42.18,;9.06,-42.19,;9.84,-40.86,;11.38,-40.88,;12.17,-39.56,;5.21,-43.47,;4.46,-42.13,;2.92,-42.12,;4.43,-44.8,;2.89,-44.78,)|
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCOCCOCCOCCn3cc(CNC(=O)CCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6-c6ccccc6)cc5)c5ccccc45)nn3)c3ccc(cc3oc2c1)=[N+](CC)CC |(48.6,-20.67,;47.27,-21.45,;45.93,-20.68,;45.92,-19.14,;47.25,-18.37,;44.59,-21.45,;43.26,-20.69,;41.94,-21.46,;41.94,-22.99,;40.61,-23.75,;39.29,-22.97,;39.3,-21.42,;37.98,-20.64,;36.65,-21.39,;36.62,-22.93,;37.94,-23.72,;37.92,-25.26,;36.57,-26.02,;39.4,-24.87,;38.67,-26.59,;35.32,-20.6,;36.08,-19.26,;34.22,-19.5,;33.98,-21.36,;32.65,-20.58,;31.31,-21.33,;29.99,-20.54,;28.64,-21.29,;27.31,-20.5,;25.97,-21.25,;24.65,-20.47,;23.3,-21.22,;21.97,-20.44,;20.63,-21.19,;19.3,-20.4,;18,-21.14,;16.52,-20.66,;15.61,-21.92,;14.07,-21.9,;13.31,-20.56,;11.77,-20.54,;10.99,-21.87,;11.01,-19.19,;9.47,-19.18,;8.72,-17.84,;9.5,-16.52,;7.18,-17.83,;6.27,-19.07,;6.99,-20.43,;6.39,-21.83,;4.89,-22.24,;3.64,-21.35,;2.28,-22.08,;.97,-21.27,;2.24,-23.62,;.88,-24.35,;.83,-25.89,;2.16,-26.69,;2.11,-28.24,;3.43,-29.04,;4.78,-28.31,;3.38,-30.58,;2.01,-31.32,;1.97,-32.86,;3.29,-33.66,;4.65,-32.92,;4.69,-31.38,;6.04,-30.65,;7.35,-31.45,;8.7,-30.73,;8.75,-29.19,;7.42,-28.37,;6.07,-29.11,;3.51,-25.97,;3.55,-24.44,;3.58,-19.81,;2.12,-19.32,;1.81,-17.8,;2.98,-16.77,;4.45,-17.27,;4.75,-18.79,;16.53,-23.17,;18,-22.69,;40.62,-25.3,;39.29,-26.05,;39.27,-27.58,;40.61,-28.36,;41.93,-27.6,;41.94,-26.07,;43.27,-25.3,;43.27,-23.76,;44.6,-22.99,;40.61,-29.9,;41.94,-30.67,;41.94,-32.21,;39.26,-30.67,;39.26,-32.21,)|
CCN(CC)c1ccc2c(-c3ccc(cc3S(=O)(=O)NCCOCCOCCOCCn3cc(CNC(=O)CCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6-c6ccccc6)cc5)c5ccccc45)nn3)S([O-])(=O)=O)c3ccc(cc3oc2c1)=[N+](CC)CC |(31.09,-9.94,;32.43,-10.72,;32.42,-12.26,;31.09,-13.02,;29.76,-12.25,;33.76,-13.04,;33.76,-14.58,;35.09,-15.33,;36.41,-14.58,;37.73,-15.35,;37.72,-16.89,;39.04,-17.68,;39.02,-19.23,;37.68,-19.97,;36.36,-19.19,;36.38,-17.65,;35.06,-16.86,;33.95,-15.76,;35.82,-15.52,;33.71,-17.61,;32.39,-16.82,;31.04,-17.58,;29.72,-16.79,;28.38,-17.54,;27.05,-16.75,;25.71,-17.51,;24.38,-16.72,;23.04,-17.48,;21.71,-16.69,;20.36,-17.44,;19.04,-16.65,;17.7,-17.4,;16.23,-16.95,;15.34,-18.21,;13.8,-18.23,;13.02,-16.9,;11.48,-16.92,;10.72,-18.26,;10.69,-15.59,;9.15,-15.61,;8.37,-14.28,;9.13,-12.94,;6.83,-14.3,;5.95,-15.57,;6.71,-16.9,;6.12,-18.32,;4.63,-18.76,;3.38,-17.89,;2.03,-18.65,;.71,-17.87,;2.02,-20.19,;3.35,-20.98,;3.33,-22.52,;2,-23.26,;1.98,-24.81,;3.31,-25.58,;4.65,-24.83,;3.3,-27.13,;1.95,-27.9,;1.95,-29.44,;3.28,-30.21,;4.61,-29.44,;4.62,-27.91,;5.97,-27.14,;7.3,-27.94,;8.65,-27.18,;8.67,-25.62,;7.32,-24.83,;5.98,-25.6,;.66,-22.49,;.68,-20.96,;3.28,-16.35,;1.81,-15.9,;1.47,-14.39,;2.62,-13.33,;4.09,-13.8,;4.43,-15.31,;16.27,-19.44,;17.72,-18.95,;37.66,-21.51,;36.32,-22.25,;38.98,-20.73,;38.98,-22.27,;39.07,-14.59,;40.38,-15.37,;41.71,-14.62,;41.73,-13.08,;40.41,-12.3,;39.09,-13.06,;37.75,-12.27,;36.41,-13.04,;35.09,-12.27,;43.07,-12.31,;44.39,-13.1,;45.74,-12.33,;43.08,-10.77,;44.41,-10.02,)|
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCOCCOCCOCCn3cc(CNC(=O)CCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6C)cc5)c5ccccc45)nn3)c3ccc(cc3oc2c1)=[N+](CC)CC |(48.61,-15.81,;47.28,-16.58,;45.94,-15.82,;45.93,-14.27,;47.27,-13.49,;44.6,-16.59,;43.27,-15.83,;41.95,-16.6,;41.95,-18.12,;40.62,-18.89,;39.3,-18.1,;39.31,-16.56,;37.99,-15.78,;36.66,-16.53,;36.62,-18.07,;37.95,-18.86,;37.93,-20.4,;36.58,-21.15,;39.41,-20,;38.68,-21.73,;35.33,-15.74,;36.09,-14.4,;34.23,-14.64,;33.98,-16.49,;32.66,-15.71,;31.32,-16.46,;29.99,-15.67,;28.65,-16.42,;27.32,-15.64,;25.98,-16.39,;24.66,-15.61,;23.31,-16.36,;21.98,-15.57,;20.64,-16.32,;19.32,-15.53,;17.97,-16.29,;16.49,-15.84,;15.62,-17.1,;14.08,-17.11,;13.3,-15.79,;11.75,-15.81,;11,-17.15,;10.97,-14.49,;9.42,-14.5,;8.63,-13.18,;9.39,-11.82,;7.09,-13.19,;6.22,-14.46,;6.98,-15.8,;6.4,-17.22,;4.91,-17.67,;3.64,-16.8,;2.31,-17.56,;.97,-16.78,;2.3,-19.1,;.95,-19.86,;.94,-21.41,;2.28,-22.17,;2.27,-23.71,;3.6,-24.49,;4.93,-23.73,;3.59,-26.03,;2.24,-26.81,;2.23,-28.34,;3.57,-29.12,;4.91,-28.35,;4.91,-26.81,;6.25,-26.04,;3.61,-21.43,;3.63,-19.89,;3.55,-15.26,;2.07,-14.8,;1.74,-13.28,;2.87,-12.23,;4.35,-12.69,;4.69,-14.21,;16.54,-18.33,;18,-17.83,;40.63,-20.43,;39.3,-21.18,;39.29,-22.72,;40.62,-23.49,;41.94,-22.73,;41.95,-21.21,;43.28,-20.44,;43.28,-18.89,;44.61,-18.12,;40.62,-25.03,;41.95,-25.81,;41.94,-27.35,;39.27,-25.8,;39.27,-27.34,)|
CCN(CC)c1ccc2c(-c3ccc(cc3S(=O)(=O)NCCOCCOCCOCCn3cc(CNC(=O)CCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6C)cc5)c5ccccc45)nn3)S([O-])(=O)=O)c3ccc(cc3oc2c1)=[N+](CC)CC |(31.1,-9.95,;32.44,-10.72,;32.43,-12.26,;31.09,-13.03,;29.76,-12.25,;33.76,-13.04,;33.76,-14.58,;35.09,-15.34,;36.42,-14.58,;37.74,-15.36,;37.73,-16.9,;39.05,-17.68,;39.03,-19.23,;37.69,-19.98,;36.37,-19.19,;36.39,-17.65,;35.07,-16.86,;33.96,-15.76,;35.83,-15.52,;33.72,-17.62,;32.4,-16.82,;31.05,-17.59,;29.72,-16.79,;28.38,-17.55,;27.06,-16.76,;25.71,-17.51,;24.39,-16.73,;23.04,-17.48,;21.72,-16.69,;20.37,-17.44,;19.05,-16.65,;17.71,-17.41,;16.23,-16.96,;15.35,-18.22,;13.81,-18.23,;13.03,-16.91,;11.49,-16.92,;10.73,-18.27,;10.7,-15.6,;9.16,-15.61,;8.37,-14.28,;9.13,-12.95,;6.83,-14.31,;5.95,-15.57,;6.71,-16.9,;6.13,-18.33,;4.63,-18.77,;3.38,-17.9,;2.03,-18.66,;.71,-17.87,;2.02,-20.2,;3.35,-20.98,;3.33,-22.52,;2,-23.27,;1.98,-24.82,;3.31,-25.59,;4.65,-24.84,;3.3,-27.14,;1.95,-27.9,;1.95,-29.44,;3.28,-30.22,;4.61,-29.45,;4.62,-27.91,;5.97,-27.15,;.66,-22.5,;.68,-20.96,;3.28,-16.36,;1.81,-15.9,;1.47,-14.39,;2.62,-13.33,;4.09,-13.8,;4.44,-15.31,;16.27,-19.45,;17.73,-18.96,;37.67,-21.51,;36.33,-22.26,;38.99,-20.73,;38.99,-22.27,;39.07,-14.59,;40.39,-15.37,;41.72,-14.62,;41.74,-13.09,;40.42,-12.31,;39.1,-13.06,;37.76,-12.27,;36.42,-13.05,;35.1,-12.27,;43.08,-12.32,;44.4,-13.1,;45.75,-12.33,;43.09,-10.78,;44.42,-10.02,)|
CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
CCN1[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CSSC2(CCCCC2)CC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(O)=O
CN1[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CSSC2(CCCCC2)CC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
CCN1[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CSSC2(CCCCC2)CC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(O)=O
CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(O)=O
CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
CCN1[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CSSC2(CCCCC2)CC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O
CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CC2(CCCCC2)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
CCN1[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CSSC2(CCCCC2)CC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
COc1ccc(cn1)N(Cc1ccc(cn1)-c1ccccc1C)S(=O)(=O)c1cn(C)c(C)n1
COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cn1)-c1ccccc1C#N)c1ccc(OC)nc1
COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cn1)-c1ccccc1Cl)c1ccc(OC)nc1
COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cn1)-c1ccccc1C)c1ccc(OC)nc1
COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cn1)-c1ccccc1F)c1ccc(OC)nc1
CC(C)NC(=O)Cn1c(cn2nc(OCCCN3CCCCC3)cc2c1=O)-c1cccc(Cl)c1
CC(C)NC(=O)Cn1c(cn2nc(OCCCN3CCCCC3)cc2c1=O)-c1ccc(F)c(c1)C(F)(F)F
CC(C)NC(=O)Cn1c(cn2cc(OCCCN3CCCCC3)cc2c1=O)-c1cccc(Cl)c1
CN(C)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CC1)c1ccc(F)cc1 |r,wU:6.9,12.22,wD:3.2,(9.5,-10.04,;8.15,-9.27,;8.14,-7.71,;6.8,-10.05,;5.47,-9.29,;4.14,-10.06,;4.17,-11.59,;5.49,-12.35,;6.8,-11.58,;2.85,-12.36,;1.51,-11.6,;1.51,-10.06,;.18,-12.37,;.18,-13.91,;-1.14,-14.69,;-1.13,-16.22,;-2.46,-17,;-3.8,-16.23,;-5.15,-17.02,;-3.81,-14.69,;-2.48,-13.92,;-1.16,-11.61,;-1.16,-10.07,;.17,-9.29,;-2.5,-9.3,;-1.73,-7.95,;-3.29,-7.96,;-3.83,-10.08,;-5.17,-9.31,;-6.49,-10.09,;-6.5,-11.63,;-7.83,-12.39,;-5.17,-12.4,;-3.83,-11.63,)|
Oc1cc(I)c(c(I)c1)C1(OC(=O)c2ccccc12)c1cc(I)c(O)c(I)c1
CCC(C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@H]3CO[C@@](Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O |r|
c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4
NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CC(N)=O)NC1=O |r|
NC[C@@H]1NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O |r|
[H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC
[H][C@]1(NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC |r|
[H][C@]1(NC(=O)[C@H](Cc2ccc(OCC)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)OC)[C@@H](C)CC |r|
[H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC1CC1)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC |r|
[H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C1CC1)[C@@H](C)CC |r|
[H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CCCC)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC |r|
[H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C1CCC1)[C@@H](C)CC |r|
[H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CCCCC)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC |r|
[H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C1CCCC1)[C@@H](C)CC |r|
[H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CCCCCC)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC |r|
[H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C1CCCCC1)[C@@H](C)CC |r|
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OC(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)NCCCCCC(=O)NCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)Nc2ccccc12)c1ccc(Cl)cc1 |(2.68,2.06,;2.67,3.09,;3.74,3.7,;1.34,3.85,;1.34,5.39,;0,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;-0,7.7,;1.06,8.32,;-1.34,8.47,;-1.34,10.01,;-2.68,10.78,;-2.68,12.32,;-4.02,13.09,;-4.02,14.63,;-5.36,15.39,;-6.42,14.78,;-5.36,16.93,;-6.7,17.7,;-6.7,19.24,;-8.04,20.01,;-8.04,21.55,;-6.98,22.17,;-9.38,22.32,;-9.38,23.86,;-10.72,24.63,;-10.73,26.17,;-12.06,26.93,;-13.39,26.16,;-13.39,24.62,;-12.05,23.85,;-14.73,26.92,;-14.74,28.15,;-15.8,27.53,;-16.06,26.15,;-17.4,26.91,;-18.73,26.14,;-18.73,24.9,;-20.07,26.9,;-21.4,26.12,;-22.74,26.89,;-22.89,28.41,;-21.97,29.23,;-24.37,28.72,;-25.14,27.4,;-26.66,27.09,;-27.14,25.61,;-26.11,24.47,;-24.58,24.78,;-24.12,26.25,;-16.06,24.6,;-14.72,23.84,;-14.72,22.3,;-16.05,21.52,;-16.05,20.29,;-17.39,22.29,;-17.39,23.83,)|
CCN1\C(=C/C=C/C=C/C2=[N+](CC)c3cc(ccc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCNC(=O)CCc2ccc(cc2)S(=O)(=O)N(CC(=O)N\N=C2/C(=O)Nc3ccccc23)c2ccc(Cl)cc2)c2cc(ccc12)S(O)(=O)=O |c:9|
[O-]C(=O)C(F)(F)F.COc1ccc(c[nH+]1)-n1c(COCCOCCOCCOCCNC(=O)CCCCCNC(=O)c2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)nnc1N1CC(C1)Oc1ccc(F)cc1Cl |(1.33,2,;1.33,.77,;.27,.15,;2.67,,;3.74,.62,;3.74,-.62,;2.67,-1.23,;6.78,11.83,;7.64,10.94,;9.13,11.31,;10.2,10.2,;11.69,10.57,;12.12,12.04,;11.06,13.16,;9.56,12.79,;13.58,12.53,;14.83,11.64,;14.83,10.1,;16.17,9.34,;16.17,7.79,;17.51,7.03,;17.51,5.49,;18.85,4.72,;18.86,3.18,;20.19,2.41,;20.2,.87,;21.53,.1,;21.54,-1.44,;22.87,-2.21,;22.88,-3.75,;24.21,-4.51,;24.22,-6.06,;23.15,-6.67,;25.55,-6.82,;25.56,-8.36,;26.89,-9.13,;26.9,-10.67,;28.23,-11.44,;28.24,-12.98,;29.57,-13.75,;30.64,-13.13,;29.58,-15.29,;28.25,-16.06,;28.25,-17.6,;29.58,-18.37,;30.91,-17.6,;30.91,-16.06,;32.25,-18.36,;32.25,-19.39,;33.32,-17.75,;29.58,-19.91,;28.24,-20.68,;26.91,-19.91,;25.58,-20.68,;25.58,-22.22,;24.51,-22.84,;26.91,-22.99,;28.24,-22.22,;29.58,-22.99,;30.89,-22.22,;32.24,-22.99,;33.58,-22.22,;34.64,-22.84,;33.58,-20.68,;32.24,-19.91,;30.89,-20.68,;16.08,12.53,;15.6,13.99,;14.06,13.99,;13.15,15.24,;11.69,15.55,;12.05,17.05,;13.55,16.69,;11.26,18.36,;12,19.71,;13.54,19.74,;14.28,21.09,;13.49,22.41,;14.08,23.49,;11.95,22.38,;11.2,21.03,;9.97,21.01,)|
[O-]C(=O)C(F)(F)F.COc1ccc(c[nH+]1)-n1c(COCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCNC(=O)c2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)nnc1N1CC(C1)Oc1ccc(F)cc1Cl |(9.24,30.38,;9.24,29.14,;8.17,28.53,;10.57,28.37,;11.64,28.99,;11.64,27.76,;10.57,27.14,;-30.83,47.13,;-29.98,46.24,;-28.48,46.61,;-27.42,45.5,;-25.92,45.86,;-25.5,47.34,;-26.56,48.45,;-28.05,48.09,;-24.03,47.82,;-22.79,46.94,;-22.78,45.4,;-21.45,44.63,;-21.44,43.09,;-20.11,42.32,;-20.1,40.78,;-18.77,40.02,;-18.76,38.48,;-17.43,37.71,;-17.42,36.17,;-16.09,35.4,;-16.08,33.86,;-14.75,33.09,;-14.74,31.55,;-13.41,30.78,;-13.4,29.24,;-12.06,28.48,;-12.06,26.93,;-10.72,26.17,;-10.72,24.63,;-9.38,23.86,;-9.38,22.32,;-8.04,21.55,;-8.04,20.01,;-6.7,19.24,;-6.7,17.7,;-5.36,16.93,;-5.36,15.39,;-6.42,14.77,;-4.02,14.63,;-4.02,13.09,;-2.68,12.32,;-2.68,10.78,;-1.34,10.01,;-1.34,8.47,;-0,7.7,;1.06,8.32,;0,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;1.34,3.85,;1.34,5.39,;2.67,3.09,;2.68,2.06,;3.74,3.7,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;-21.54,47.83,;-22.02,49.29,;-23.56,49.29,;-24.47,50.53,;-25.93,50.85,;-25.57,52.35,;-24.07,51.98,;-26.36,53.66,;-25.62,55.01,;-24.08,55.04,;-23.33,56.39,;-24.13,57.71,;-23.54,58.79,;-25.67,57.68,;-26.41,56.33,;-27.65,56.31,)|
[O-]C(=O)C(F)(F)F.CCN1\C(=C/C=C/C=C/C2=[N+](CC)c3cc(ccc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCOCCOCCOCCOCc2nnc(N3CC(C3)Oc3ccc(F)cc3Cl)n2-c2ccc(OC)[nH+]c2)c2cc(ccc12)S(O)(=O)=O |c:15|
[O-]C(=O)C(F)(F)F.CCN1\C(=C/C=C/C=C/C2=[N+](CC)c3cc(ccc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCc2nnc(N3CC(C3)Oc3ccc(F)cc3Cl)n2-c2ccc(OC)[nH+]c2)c2cc(ccc12)S(O)(=O)=O |c:15|
Clc1ccc2c(c[nH]c2c1)C(=O)N1CCC2(CC1)OCc1ccccc21
Cc1c(C(=O)N2CCC3(CC2)OCc2ccccc32)c2ccccc2n1Cc1ccccc1
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCSc2ccccc12
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCSc2cccc(C)c12
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCSc2c(C)cccc12
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[S+]([O-])c2ccccc12
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[S@@+]([O-])c2ccccc12 |r|
CN1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2c(C)cccc12