1466 SMILES Strings for Neuropeptide Y receptor type 1

Compound Name
SMILES String
COc1ccc(cc1)N1CCN(CC1)C(c1nnnn1C1CCCC1)c1cccc(OC)c1OC
COc1ccccc1CN(Cc1nnnn1Cc1ccco1)Cc1cc2cc(C)ccc2[nH]c1=O
CCN(C(=O)c1ccc(cc1)C(C)(C)C)c1nnc(Cn2nnc3ccccc23)s1
CC(C)CC(N1CCN(CC1)c1ccccc1F)c1nnnn1C1CCCC1
CC(=O)OCC[N+](C)(C)C
CCCCCCn1c2CCCc2c(=N)c2CCCc12
CC(NC(=O)Nc1nnc(s1)C(F)(F)F)(C(F)(F)F)C(F)(F)F
COc1cccc(Oc2c[nH]nc2-c2ccc(O)cc2O)c1
COc1ccc(Oc2c[nH]nc2-c2ccc(O)cc2O)cc1
COc1ccc(Oc2c(C)[nH]nc2-c2ccc(O)cc2O)cc1
CCc1cc(-c2n[nH]cc2-c2ccc3OCOc3c2)c(O)cc1O
CCCCOc1cccc(OCCCC)c1C(=O)Nc1cc(C)on1
Cc1nn(-c2ccccc2)c2sc(cc12)C(O)=O
CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(cc2)S(=O)(=O)N(CC)CC)cc1
O=C(NC1CCCCC1)C(N(Cc1ccc2OCOc2c1)C(=O)c1cnsn1)c1ccncc1
CC(C)(C)n1nnnc1C(N(Cc1ccco1)Cc1ccccc1)c1ccc(cc1)C(F)(F)F
OC(=O)c1ccc(cc1)N(c1ccccc1)c1ccccc1
Cc1c(OCc2c(F)cccc2Cl)c(=O)ccn1-c1ncc(cc1Cl)C(F)(F)F
CCOC(=O)C(C=Nc1cc(C)nn1-c1ccc(Cl)cc1)C(=O)OCC |w:7.7|
CCC(C)(N(Cc1ccco1)C(=O)Cc1cccs1)C(=O)NC1CCCC1
Clc1ccc(Cn2cc(C(=O)c3ccco3)c3ccccc23)cc1
CCC(C)(N(Cc1ccco1)C(=O)Cc1cccs1)C(=O)NC1CCCCC1
O=C(NC1CCCCC1)C1(CCCCC1)N(Cc1ccco1)C(=O)c1cnccn1
Cc1cc(C(=O)CSc2nc3ccccc3[nH]2)c(C)n1CC1CCCO1
Cc1cccc(OCCNC(=O)c2ccc(Oc3ccc(cc3[N+]([O-])=O)C(F)(F)F)cc2)c1
Cc1ccc(C)c(SCc2noc(C(=O)NCC3CCCO3)c2C(O)=O)c1
CCCCNC(=O)c1onc(CSc2ccc(Cl)cc2)c1C(O)=O
Cc1ccc(cc1)C(=O)C[n+]1cc(-c2ccccc2)n2CCCCCc12
COc1ccc(cc1N(CC(O)CN(CC(C)C)CC(C)C)S(=O)(=O)c1ccccc1)[N+]([O-])=O
CCCCC(O)(CCCC)C(=O)NN(C(=O)OC)c1ccccc1
CCc1cccc(CC)c1NC(=O)C(NS(=O)(=O)c1cccs1)c1ccccc1
CC(C)(C)NC(=O)c1oc2ccccc2c1COc1ccccc1
[H][C@]12CN(C(=O)c3ccccc3)[C@@](Cc3ccc(F)cc3)(C(=O)OC)[C@@]1([H])c1cc(C(=O)N3CCCC3)n(Cc3ccc(nc3)C(F)(F)F)c1C2
Cc1ccc(COC(=O)c2nn(nc2N)-c2ccccc2)cc1
Cc1c(sc2nc(C)nc(N3CCCCC3)c12)C(=O)Nc1ccccc1C(F)(F)F
COc1ccc(cc1)C1N(N=C(N(C)N1C(C)=O)C(C)=O)c1ccc(Cl)cc1 |c:11|
CCN1\C(Sc2ccccc12)=C\c1sc(c[n+]1C)-c1ccccc1C
COc1ccc(cc1)N(C(=O)C1CCCCC1)S(=O)(=O)c1cccc2cccnc12
Cn1ccnc1C1CCCCN1Cc1nc(no1)-c1ccc2OCOc2c1
COc1ccc(cc1)C(=O)[C-](\N=[NH+]\c1cccc(c1)[N+]([O-])=O)C#N
CNCc1cc(Cl)cc(OC)c1OC(C)C
CC1=CC(C)(C)N(C(=O)CNC2CCCCC2)c2cc(C)ccc12 |t:1|
CC(C)(C)NCc1cc(Br)ccc1OC1CCCC1
COc1ccccc1N(CC(=O)NC1CCCC1)C(=O)c1oc(cc1C)C(C)(C)C
COc1ccc(cc1)-c1noc(CN2CCCCC2c2nccn2C)n1
Cc1cc(C)n(CCNCc2cn(nc2-c2ccc(F)cc2)-c2ccc(C)cc2)n1
CCOC(=O)C1(CCCc2ccccc2)CCN(CC1)C1CCSCC1
Cc1cc2cc(C)c(NCCNC(=O)c3cccc(F)c3)nc2cc1C
Oc1ccc(-c2n[nH]cc2-c2nc3ccccc3s2)c(O)c1
CCOC(=O)c1c(CSc2ccccc2)n(C)c2ccc(O)c(CN3CCOCC3)c12
COc1ccc(cc1)-n1c(c[n+]-2c1CCc1ccccc-21)-c1ccc(Cl)cc1
[H]C12CCC([H])(C1)C(C2)C(C)NC(=O)Cn1c(NCCO)nc2ccccc12 |TLB:9:7:6:3.2|
Clc1ccc(-c2cs\c(=[NH+]/c3ccccc3)n2Cc2ccco2)c(Cl)c1
Brc1ccc(cc1)-c1csc(N=CN2CCCC2)n1 |w:11.11|
Cc1ccc(c(C)c1)-n1c(c[n+]-2c1CCc1ccccc-21)-c1ccccc1 |(4.56,4.78,;5.04,6.24,;4.01,7.39,;4.49,8.85,;6,9.17,;7.02,8.03,;8.53,8.34,;6.55,6.56,;6.47,10.64,;5.57,11.88,;6.47,13.11,;7.93,12.65,;7.93,11.11,;9.26,10.34,;10.6,11.11,;10.6,12.65,;12,13.43,;12.01,15.03,;10.62,15.83,;9.24,15.02,;9.26,13.42,;4.03,11.88,;3.26,13.21,;1.72,13.21,;.95,11.88,;1.72,10.54,;3.26,10.54,)|
[#6]-[#6]-1-[#6]-[#6](-[#6])-[#6]\[#7+](-[#6]-1)=[#6]-1/[#6]C([#6])([#6])[#6]-[#6](=[#6]-1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1 |c:15|
COc1ccccc1-n1c2CCc3ccccc3-[n+]2cc1-c1ccccc1 |(9.56,5.73,;8.53,6.88,;7.02,6.56,;6.55,5.1,;5.04,4.78,;4.01,5.93,;4.49,7.39,;6,7.71,;6.47,9.17,;7.93,9.64,;9.26,8.87,;10.6,9.64,;10.6,11.18,;12,11.96,;12.01,13.57,;10.62,14.37,;9.24,13.56,;9.26,11.95,;7.93,11.18,;6.47,11.65,;5.57,10.41,;4.03,10.41,;3.26,11.75,;1.72,11.75,;.95,10.41,;1.72,9.08,;3.26,9.08,)|
[#6]C1([#6])[#6]-[#6](=[#6]\[#6](-[#6]1)=[#7+]-1/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1 |c:4|
Cc1cc(C(=O)CSc2nc3ccccc3c(=O)n2C)c(C)n1CC1CCCO1
COc1ccc(cc1)N(C)S(=O)(=O)c1cccc(c1)C(=O)NCC1CCCCC1
COc1ccc(cc1)N(C)S(=O)(=O)c1cccc(c1)C(=O)NC1CCC(C)CC1 |(16.42,7.7,;16.42,6.16,;15.08,5.39,;15.08,3.85,;13.75,3.08,;12.42,3.85,;12.42,5.39,;13.75,6.16,;11.08,3.08,;9.75,3.85,;11.08,1.54,;12.62,1.54,;9.54,1.54,;11.08,,;12.42,-.77,;12.42,-2.31,;11.08,-3.08,;9.75,-2.31,;9.75,-.77,;8.41,-3.08,;7.08,-2.31,;8.41,-4.62,;7.08,-5.39,;7.08,-6.93,;5.75,-7.7,;4.41,-6.93,;3.08,-7.7,;4.41,-5.39,;5.75,-4.62,)|
CC1OC(OC2C(O)C(O)COC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(CCC43C)C(O)=O)C2(C)CO)C(O)C(OC2OCC(OC(C)=O)C(OC(C)=O)C2O)C1O |t:28|
[H][C@@]12O[C@]1(C)[C@@H](C)[C@@]1([H])[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@]11C(=O)C=CC(=O)[C@H](O)C(C)=C[C@@H](C)CC=C[C@@]21[H]
CC(C)c1ccc(cc1)-c1nnn(Cc2nc3ccccc3s2)n1
Cc1onc(c1C(=O)Nc1sc2CCCc2c1C#N)-c1ccccc1Cl
O=C(CN(Cc1ccc2OCOc2c1)C(=O)CSc1nc2ccccc2o1)NC1CCCCC1
Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccccc3)ncnc12
OC(Cn1c2ccccc2n(Cc2ccc(Cl)cc2)c1=N)c1ccco1
Brc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1
COc1ccc(cc1OC)-c1nc(C#N)c(NC(C)c2ccccc2)o1
CC1CCN(CC1)c1nc(C)nc2c3ccccc3oc12
CC(C)COc1ccc(cc1)C(=O)OC1CC(C)(C)OCC1CN(C)C
Clc1ccc(cc1Cl)C1=Nn2c(SC1)nnc2-c1n[nH]c2CCCc12 |t:9|
COC(=O)c1ccc(CSc2nc3sc4CCCCc4c3c(=O)n2C)o1
Clc1ccc(cc1)-c1nnn(Cc2nc3ccccc3s2)n1
C(Sc1nnc(o1)-c1cccs1)c1csc(n1)-c1ccccc1
COc1ccc(cc1)-n1nc(C(=O)Nc2ccc3OCOc3c2)c2ccccc2c1=O
COc1cccc(c1)-c1nc(no1)-c1ccc(NC(=O)Cc2ccccc2OC)cc1
COC(=O)c1ccccc1NC(=O)Cn1c(nc2ccccc12)-c1nonc1N
C=CCNc1nc(nc2ccccc12)N1CCCC1
O=C(CSc1nc2ccccc2o1)c1ccc2OCCOc2c1
Clc1ccc(OCc2nc(C#N)c(o2)N2CCCCCC2)cc1
COc1ccc(cc1)-c1noc(COc2ccc(Cl)c(C)c2)n1
Cc1cccc(CSC2=NCCN2C(=O)c2ccc(Br)o2)c1 |t:8|
COc1ccc(cc1)-c1nnc2sc(nn12)C(C)N1C(=O)c2ccccc2C1=O
ClC1=CCC2C(C1)C(=O)N(CC1Cc3ccccc3CO1)C2=O |t:1|
CN(C)C(=O)C(CCN1CCC(CC1)(c2ccc(cc2)Cl)O)(c3ccccc3)c4ccccc4
Cc1ccccc1N1CCN(CCCOc2ccc3c(C)cc(=O)oc3c2)CC1
CCN(CC)CC(O)COc1ccc2n(c(C)c(C(C)=O)c2c1)-c1ccccc1
CCSc1nc2ccc(OC)cc2cc1C#N
OC(=O)CSc1nnc(o1)-c1ccc2OCOc2c1
COC(=O)C1=C(SC2(S1)C(C(=O)OC)=C(SC1=C2c2cccc(C)c2NC1(C)C)C(=O)OC)C(=O)OC |c:14,17,t:4|
Clc1ccc(OCCSc2nnnn2C2CCCCC2)cc1
CC(C)COC(=O)c1cccc2C(N=O)c3ccccc3-c12
Brc1ccc(COC(=O)CCc2nc(c(o2)-c2ccccc2)-c2ccccc2)cc1
CCOc1nc(SCCOc2ccc(Cl)cc2Cl)nc(n1)N(C)C
CN1CCN(CC1)c1ccccc1NC(=O)c1ccc(o1)-c1ccc(Cl)cc1Cl
Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
O=C(COc1ccccc1CNCc1ccccc1)Nc1ccccc1
Cc1cccc(NC(=S)NNC(=S)NCc2ccccc2)c1
CCCCCCCCCS(=O)(=O)N[N-][CH+]c1cccc(c1)[N+]([O-])=O
Cc1cccc(N2CCN(CCNC(=O)Cn3cccc3C(=O)c3ccccc3C)CC2)c1C
CCOc1ccc2nc(NC(=O)CS(=O)(=O)c3ccc(C)cc3)sc2c1
CCOc1ccc(cc1)-n1cc(C(=O)Nc2cccc(Cl)c2)c2cc(OC)c(OC)cc2c1=O
COc1cc(C=Nn2cnnc2)ccc1OCc1ccc(C)cc1 |w:6.6|
COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCN2CCCCC2)c(OC)c1
C(CCN1CCCCC1)COc1ccc(OCc2ccccc2)cc1
CC(NS(=O)(=O)c1cc(ccc1C)-c1nn2c(C)nnc2c2ccccc12)c1ccccc1
COc1ccc(cc1)-c1n[nH]c2C(=O)N(C(c12)c1ccc(OC)c(OC)c1)c1ccccc1
O=c1c2ccccc2nc2c3ccccc3c(NCCN3CCOCC3)nn12
COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)o1
Oc1cccc(c1)-c1nc2ccc3ccccc3c2c2CCCc12
O=P(CCCCCCCCCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
CC(C)Oc1ccc(cc1)C(=O)ON=C(C)c1ccc(C)c(C)c1 |w:13.13|
COc1ccc(Cn2c(\C=C\c3ccccc3)nc3ccccc23)cc1
CCC1=Nc2ccc(Br)cc2C(N1CC(=O)OC)c1ccccc1 |t:2|
CCN(CC)CC#CCC(C)(c1ccccc1)c1ccccc1
Clc1cccc(\C=C\C(=O)c2nc3ccccc3[nH]2)c1
CCCCNC(=O)c1onc(CSc2ccccc2F)c1C(O)=O
Clc1ccccc1-c1cc(COC(=O)Nc2ccccc2)no1
Cc1nc(sc1C(=O)CSc1ccc(Cl)cc1)-c1ccccc1
Clc1ccccc1CSc1nnc(\C=C\c2ccccc2)o1
Clc1ccc(CSc2cc3CCc4ccccc4-c3nn2)cc1Cl
Clc1ccc(NC(=O)c2csc(n2)-c2ccccc2)cc1
COc1ccccc1CCNCc1ccc(OC)c(OCc2ccccc2)c1
COC(=O)c1cc(Cl)c(NC(=O)c2ccc(cc2)C(C)(C)C)cc1OC
Cc1ccc(cc1)-c1cc(C(=O)Nc2ccc3OCCOc3c2)c2ccccc2n1
C\C(\C=C1/SC(=S)N(NC(=O)c2ccc(C)cc2)C1=O)=C/c1ccccc1
Cc1ccc(C)c(NS(=O)(=O)c2cc(ccc2C)C(=O)Nc2ccccc2-c2ccccc2)c1
Cc1ccc(C)c(NS(=O)(=O)c2cc(ccc2Cl)C(=O)Nc2ccccc2-c2ccccc2)c1
Cc1cc(Cl)c(OCCCNCc2ccccc2)c(Br)c1
Cc1ccc(NC(=S)NCc2ccc3OCOc3c2)cc1C
Cc1ccccc1\C=C\c1nc2ccccc2c(=O)n1CCc1ccccc1
O=C(\C=C\c1cccc2ccccc12)c1ccncc1
Clc1cccc(Cl)c1CSCC(=O)Nc1ccccc1-c1ccccc1
Clc1ccc(CSc2nc(ccc2C#N)-c2cccnc2)cc1Cl
Oc1c(Br)cc(Br)cc1C=Nc1cccc(NC(=O)c2ccco2)c1 |w:10.11|
Clc1ccc(cc1)C(=O)C(=C\c1ccco1)\N1C=CC=CC1=C(C#N)C#N |c:19,21|
CN(C)CCCSc1nc(nc2CCCc12)-c1ccccc1
Cc1ccc(NC(=S)NC(N)=Nc2nc(C)c3cc(C)ccc3n2)c(C)c1 |w:11.11|
CC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1-c1ccccc1
Cc1cccc(CSCCNC(=O)COc2ccc(Cl)cc2)c1
Cc1ccc(NC(=O)C(=O)NCCOc2ccc(Cl)cc2)c(C)c1
CCC(Oc1ccc2c(c1)occ(-c1ccccc1OC)c2=O)C(=O)OCc1ccccc1
CCOc1ccc(NC(=S)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
CN(C)CCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=S)Nc1cccc(C)c1
OC1(CCN(Cc2ccccc2)C2CCCCC12)c1ccccc1
Clc1ccc(CSCC(=O)NN=Cc2c(Cl)cccc2Cl)cc1 |w:11.10|
COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC |w:7.7|
CCCCOc1ccc(cc1)C1=NNC(=O)CC1 |t:12|
Brc1ccc(COc2ccccc2C(=O)NN=Cc2ccco2)cc1 |w:16.16|
CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nnc2c3ccccc3n(C(C)C)c2n1
Cc1nc2ccc(F)cc2cc1C(=O)Nc1ccc(Cl)c(Cl)c1
CC(C)OC(=O)C(\NC(=O)c1ccccc1)=C\c1ccc2n(C)c3ccccc3c2c1
[#6]-[#6]\[#6](-[#7]-[#6]-[#6]-[#6](-c1ccccc1)-c1ccccc1)=[#6]-1\[#6](=O)-[#7](-[#6])-[#6](=O)-[#7](-[#6])-[#6]-1=O
COc1cccc(c1)-c1ccc(C#N)c(SCC(=O)NCCc2ccc(Cl)cc2)n1
Cc1ccc(CCC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)o1
COC(=O)c1c(C)oc2ccc(cc12)N(C(=O)c1ccncc1)S(=O)(=O)c1ccc2ccccc2c1
Cc1cccc(c1C)-n1ccnc1SCC(=O)N1CCCc2ccccc12
Clc1ccccc1C=NNC(=S)NCCc1ccccc1 |w:8.9|
CCOc1ccc(Oc2c(C=NNC(C)=O)c(C)nn2-c2ccccc2)cc1 |w:11.11|
Nn1c(Cc2cccc3ccccc23)nnc1SCc1c(Cl)cccc1Cl
Clc1ccc(\C=C\C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)cc1
COC(=O)c1cc2occc2n1Cc1nc(oc1C)-c1ccccc1Cl
Nc1c2CCCCCCc2nc2sc3CCCCc3c12
CCCCC(=O)N\N=C\c1ccc(N2CCOCC2)c(c1)[N+]([O-])=O
Clc1ccc(CN2CCC(CC2)C(=O)N2CCN(CC2)C(c2ccccc2)c2ccccc2)cc1
CCc1n[nH]c(=S)n1N=Cc1cc(Br)c(OC)cc1OC |w:8.8|
CCc1cccc(CC)c1NC(=O)COC(=O)c1ccccc1-c1nc2ccccc2s1
CCCCCC(=O)NC(=S)Nc1ccc(Br)cc1C
CN(CCCCOc1ccc(C)cc1Br)Cc1ccccc1
COc1cc(C=NNC(N)=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 |w:6.6|
CCCCOc1nc2ccccc2c(=O)n1-c1ccccc1
C\C=C(\C)C(=O)O[C@H]1[C@H](Oc2ccc3ccc(=O)oc3c12)C(C)(C)OC(=O)C(\C)=C/C
O=C(COC(=O)c1ccc(cc1)-c1ccccc1)Nc1ccccc1-c1ccccc1
COc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)N1CCCCC1
CN(C)Cc1ccccc1Sc1cccc2ccccc12
CCCCCCNS(=O)(=O)c1ccc(NC(=O)C2CCCO2)cc1
CN1CCC(CC1)Oc1ccccc1Sc1ccccc1
Cc1noc(C)c1C(c1ccccc1)S(=O)(=O)c1ccc(C)cc1
COc1ccccc1OCCCCN1CCN(CC1)C(c1ccccc1)c1ccccc1
CN(C)Cc1c(O)ccc2oc(Cc3ccccc3)cc12
COc1ccc(cc1Cl)-n1nc2ccc(NS(C)(=O)=O)cc2n1
Oc1ccccc1Cn1c(nc2ccccc12)-c1ccccc1O
Oc1cccc(c1)-c1cc(no1)C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
CCC(C)C1C(C#N)C(=N)Oc2[nH]nc(c12)-c1ccccc1
O=C(Nc1ccncc1)c1ccc2C(=O)N(C3CCCCC3)C(=O)c2c1
CCn1c(SCC(=O)Nc2ccc3c(c2)oc2ccccc32)nnc1-c1ccc(N)cc1
CCn1nc(c(C(C#N)c2nc3ccccc3s2)c(Cl)c1=O)[N+]([O-])=O
CCOC(=O)C(Cc1ccccc1)C(=O)Nc1ccc(cc1)N(CC)CC
COCCN=c1scc(-c2cccs2)n1N=Cc1ccc(O)c(O)c1O |w:15.16,4.3|
CC(C)N=c1scc(-c2cccs2)n1N=Cc1ccc(O)c(O)c1O |w:14.15,3.2|
Fc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(Cl)cc1Cl
CC(C)c1ccc2=NC(=O)C(NNC(=O)c3cccc(c3)S(=O)(=O)Nc3cccc(Cl)c3)=c2c1 |c:33,t:6|
COc1ccccc1Oc1ccc(cc1[N+]([O-])=O)-c1cnc2ccccc2n1
CSc1nc(nn1C(=O)c1ccccc1Cl)-c1ccco1
CC(C)(C)NC(=O)C(N(C(=O)Cn1nnc(n1)-c1ccc(F)cc1)c1ccccc1F)c1ccc(O)cc1
Cc1ccccc1OCC(O)CN1CCN(CC(O)COc2ccccc2C)CC1
Cn1cc(c(n1)C(=O)Nc1ccc(cc1)C1CCCCC1)[N+]([O-])=O
CC1CC(C)CN(CCCNC(=O)c2cc3c(n2C)c2ccccc2[nH]c3=O)C1
CC(C)C1CCC(C)CC1OCC(O)CNC(C)c1ccccc1
COc1ccc(Nc2oc(\C=C3\SC(=S)N(CC4CCCO4)C3=O)nc2C#N)cc1
CCOc1ccc(NC(=S)NNC(=S)Nc2cccc(c2)C(F)(F)F)cc1
OC(CNC1Cc2ccccc2C1)COc1ccc(Cl)cc1
Clc1ccc(cc1)-[n+]1c([nH]c2nc3ccccc3nc12)-c1cccc(Br)c1
COCCc1ccc(OCC(O)CNC(C)C)cc1
CCN(CC)CC(O)Cn1c2ccccc2c2ccccc12
Oc1ccc(\C=C2/SC(=S)N(Nc3ccccc3)C2=O)cc1O
CCOC(=O)c1nc(Nc2ccc(Nc3ccccc3)cc2)c2ccccc2n1
Cc1cccc2c(N)c3CCCCc3nc12
[O-][N+](=O)c1cc(cc(c1NCCNC(=S)Nc1ccc(Cl)c(Cl)c1)[N+]([O-])=O)C(F)(F)F
Cc1cccc(c1)N1CCc2c1nc1ccccc1c2N
OC(=O)C1CC=CCC1C(=O)N1CCN(CC1)c1nc(-c2ccccc2)c2ccccc2n1 |c:5|
CC(=O)Nc1ccc(cc1)-c1cc2ccccc2o1
Clc1ccc(OCc2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)cc1
CCCc1cc(-c2n[nH]cc2-c2ccc(o2)C(=O)OCC)c(O)cc1O
CC(=O)c1c(C)[nH]c(C(=O)OCCCCN2C(=O)c3ccccc3C2=O)c1C
CCSc1nnc(NC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)s1
Cc1ccc(cc1)N1CCN(CC(O)COc2ccccc2CC=C)CC1
CN(Cc1ccccc1)C(=O)CCNC(=O)Cn1cnc2ccccc2c1=O
Clc1ccc(NC(=O)NCCCn2ccnc2)cc1
CCN(CC)S(=O)(=O)c1ccc2ncc(C(=O)NCCC3=CCCCC3)c(O)c2c1 |t:20|
CCOC(=O)c1ccc(cc1)-n1c2nc(C)[nH]c(=O)c2sc1=S
COc1ccc(NC(=O)c2c(OC)cccc2OC)c(OC)c1
Fc1c(F)c(F)c(C(=O)Nc2ccccc2Cl)c(F)c1F
c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl)Cl)O)O)Cl
COc1ccc(NC(=S)NC(NC(=O)c2cccc(Cl)c2)C(Cl)(Cl)Cl)c(c1)[N+]([O-])=O
COC(=O)c1ccc(NC(=O)CSc2nnc(C(C)NC(=O)c3ccccc3Cl)n2C)cc1
CC(=O)C(Nc1ccc(Cl)cc1Cl)=NNc1cccc(Cl)c1 |w:13.14|
OC(CC(=O)Nc1ccc(Cl)c(Cl)c1)(C(F)(F)F)C(F)(F)F
O=C(Nc1sc2CCCCc2c1-c1nc2ccccc2[nH]1)C1CC1
Cc1cccc(C)c1OCC(O)CNC(C)(C)C
[O-][N+](=O)c1ccc2nc(NC(NC(=O)c3ccccc3)(C(F)(F)F)C(F)(F)F)sc2c1
Clc1ccc(NN=C(C#N)C(=O)c2ccccc2)cc1 |w:6.5|
COc1ccc(Cn2cnc3c(NS(C)(=O)=O)c(C)c(C)cc23)cc1
Cc1cc2N(C(=O)CSC3=NCCS3)C(C)(C)c3ssc(=S)c3-c2cc1C |t:9|
Oc1c2CC=CCc2c(O)n1-c1ccc(NCCc2ccc(O)cc2)c(c1)[N+]([O-])=O |c:4|
Cc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc23)c(C)n1-c1ccc(Cl)cc1 |w:5.5|
Fc1ccc(Nc2c(nc3ccccn23)-c2ccco2)cc1
FC(F)S(=O)(=O)c1cccc(NC(=S)N2CCN(CC2)c2cccc(Cl)c2)c1
CCc1cc[n+](cc1)[C-](C(=S)Nc1cccc(C)c1)C(=O)c1ccc(C)c(c1)[N+]([O-])=O
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)NC(=O)CCl |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5|
Nc1c(c(CSc2nc3ccccc3[nH]2)nn1-c1ccc(Cl)cc1)-c1ccccc1
Cc1sc2cc3-c4cccc5cccc(-c3c(C(=O)c3ccccc3)[n+]2c1C)c45
CC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)OCc1cc(cc2COCOc12)[N+]([O-])=O
Fc1ccccc1NS(=O)(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1
Fc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)Nc1cc(ccc1Cl)S(=O)(=O)N1CCCCC1
COc1ccc(cc1)N1CCN(CC(O)COc2ccccc2[N+]([O-])=O)CC1
[O-][N+](=O)c1ccc(cc1)N1CCC2(CC1)OCC1O[N-][C+](C1CO2)C(=O)N\N=C\c1ccc(Cl)cc1
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc3nnc(s3)C3CC3)c2c1
[O-][N+](=O)c1cc(C=NNC(=O)c2cc(n[nH]2)-c2ccc3CCc4cccc2c34)ccc1Cl |w:7.7|
Cc1c([nH]c2ccc(cc12)[N+]([O-])=O)C(O)=O
COCCCNC(=O)c1cnc2ccc(cc2c1O)S(=O)(=O)N1CCc2ccccc12
CCOc1c(OC(C)=O)ccc(\C=C2/SC(=S)N(CC=C)C2=O)c1[N+]([O-])=O
[O-][N+](=O)c1cc(ccc1Cl)C(=O)Nc1ccccc1C(=O)N1CCCC1
CC1CCN(CC(O)COc2ccccc2C)CC1
[O-][N+](=O)c1cccc2c(ccnc12)N1CCOCC1
CC(C)OC(=O)C(C)Nc1n[nH]c(=S)[nH]c1=O
CC(SC(=S)N1CCCC1)C(O)=O
Cc1nc(O)c(N=Nc2ccccc2C(O)=O)n1-c1ccccc1 |w:6.5|
CC(Nc1ccccc1)c1cccnc1
Nc1cc(nn1Cc1ccccc1)-c1ccc(Br)cc1
NC(=O)c1ccc2nc(NC(=O)c3ccc(N)cc3)sc2c1
[O-][N+](=O)c1cnc(NC(=O)COc2ccc(Cl)cc2)s1
COc1ccc(cc1OC)-n1nnnc1SCC(=O)NCCc1ccccc1
Cc1ccc(cc1)C(=O)n1nc(-n2cccc2)c2c(C)cc(C)nc12
NNc1snc(Cl)c1C#N
CN(C)c1ccc(cc1)-[n+]1c(cc(cc1-c1ccccc1)-c1ccccc1)-c1ccccc1
O=C(\C=C\c1cn(nc1-c1cccnc1)-c1ccccc1)N1CCCC1
OC1(CS\C(=N/c2cccnc2)N1Cc1ccco1)c1ccc(OC(F)F)cc1
Fc1ccc2SCCC(=NNc3ccccn3)c2c1 |w:9.9|
FC(F)Oc1ccc(C=NNC(=O)c2cccc(c2)S(=O)(=O)N2CCOCC2)cc1
CCCOc1ccc(CN=Nc2ccc(cc2)C(O)=O)c(OCCC)c1 |w:9.8|
CCn1c2ccccc2c2cc(NC(=O)CN(C)CC(=O)Nc3ccc(cc3)N3CCOCC3)ccc12
COc1cc(cc(O)c1O)C(=S)N1CCN(CC1)c1ccccc1Cl
COc1ccc(COC(=O)c2ccc3c(c2)nc2CCCn2c3=O)cc1F
[O-][N+](=O)c1cccc(NN=C(C(=O)c2ccc(Br)cc2)C(=O)C(F)(F)F)c1 |w:9.8|
Oc1ccccc1C(=O)NN=Cc1cccc2cccnc12
COC(=O)C(=C\c1cn(C(C)=O)c2ccccc12)\[N+]([O-])=O
Cc1sc2nc(SCc3ccc(cc3)C(O)=O)n(Cc3ccco3)c(=O)c2c1C
OC(=O)c1ccc(OCc2cn3ccccc3n2)cc1
COCCCN1C(=S)S\C(=C\c2nc(C#N)c(Nc3ccc(C)cc3)o2)C1=O
COCCOC(=O)C(CC(O)=O)NCc1ccco1
C(Sc1nc2ncncc2[nH]1)c1ccccc1
Cc1ccc(Cl)cc1NC(=O)c1cc2ccccc2cc1O
Oc1cc2ccccc2cc1C(=O)Nc1cccc(c1)[N+]([O-])=O
COc1ccc(CN2C(=O)C(=CNc3ccccc3C(O)=O)c3ccccc3C2=O)cc1 |w:11.11|
CC(C)c1nnc(NC(=O)CCC(=O)Nc2ccc3cn[nH]c3c2)s1
COc1ccccc1NS(=O)(=O)c1cccc(c1)-n1c(O)c(C=Nc2ccccc2C(O)=O)c2ccccc2c1=O |w:23.25|
[O-][N+](=O)c1ccc(nc1)N1CCC(CC1)C(=O)c1ccc(F)cc1F
Nc1sc(cc1-c1n[nH]c(=S)n1C1CCCCC1)-c1ccccc1
Cc1c(c(nn1C)C(=O)Sc1ccc(Br)cc1)[N+]([O-])=O
NC(=S)C(=NNc1ccc(OC(F)(F)F)cc1)C#N |w:4.4|
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
c1ccccc1
c1ccccc1
c1ccccc1
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
c1ccccc1
c1ccccc1
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:56.59,55.56,31.32,8.17,73.74,20.21,93.94,wD:47.48,39.40,4.4,62.63,82.83,48.50,2.2,(38.36,6.07,;37.02,5.3,;37.02,3.76,;38.36,2.99,;35.69,2.99,;35.69,1.45,;37.02,.68,;38.36,1.45,;37.02,-.86,;35.69,-1.63,;35.69,-3.17,;34.36,-3.94,;34.36,-5.48,;35.69,-6.25,;35.69,-7.79,;37.02,-5.48,;37.02,-3.94,;38.36,-1.63,;39.69,-.86,;39.69,.68,;41.02,-1.63,;42.36,-.86,;41.02,-3.17,;42.36,-3.94,;43.76,-3.32,;44.8,-4.46,;44.03,-5.8,;42.52,-5.48,;34.36,3.76,;33.02,2.99,;34.36,5.3,;33.02,6.07,;32.03,4.89,;30.52,5.15,;29.53,3.97,;29.99,6.6,;33.02,7.61,;34.36,8.38,;32.03,8.79,;32.56,10.23,;34.08,10.5,;34.6,11.95,;36.12,12.22,;33.61,13.13,;31.57,11.41,;32.1,12.86,;30.05,11.15,;29.06,12.33,;29.59,13.77,;31.11,14.04,;28.6,14.95,;29.13,16.4,;27.55,12.06,;27.02,10.61,;26.56,13.24,;25.04,12.97,;24.51,11.52,;25.5,10.34,;23,11.26,;24.05,14.15,;24.58,15.6,;22.53,13.88,;21.54,15.06,;22.07,16.51,;21.08,17.69,;21.61,19.14,;20.62,20.32,;21.14,21.76,;20.15,22.94,;22.66,22.03,;20.03,14.8,;19.5,13.35,;19.04,15.97,;17.52,15.71,;16.99,14.26,;15.48,13.99,;14.95,12.55,;13.43,12.28,;15.94,11.37,;16.53,16.89,;17.06,18.33,;15.01,16.62,;14.02,17.8,;14.55,19.25,;13.56,20.43,;14.09,21.87,;13.1,23.05,;13.62,24.5,;12.63,25.68,;15.14,24.77,;12.51,17.53,;11.98,16.08,;11.52,18.71,;10,18.44,;9.47,17,;7.96,16.73,;6.97,17.91,;5.45,17.64,;4.92,16.19,;3.41,15.93,;5.91,15.02,;7.43,15.28,;9.01,19.62,;9.54,21.07,;7.49,19.36,)|
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CCC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
CCC(C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
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CCC(C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)CN)C(C)O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Oc1c(C2CC(Cc3ccccc23)c2ccc(cc2)-c2ccccc2)c(=O)oc2ccccc12
CCC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](COCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](C)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
CNCCC(Oc1ccccc1C)c1ccccc1
CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3ccccc23)C(=O)C1 |t:8|
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccc(OCCCNC(=O)CCCCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)N1Cc2ccccc2C1)C(=O)NCc1ccc(O)cc1
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@@H](c1ccc(OCCCNC(=O)CCCCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)N1Cc2ccccc2C1)C(=O)NCc1ccc(O)cc1
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1cccc(NCCCNc2c(NCCCCCCNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)c(=O)c2=O)c1)N1Cc2ccccc2C1)C(=O)NCc1ccc(O)cc1
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1cccc(NC(=O)CCCNC(=O)CCCCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c1)N1Cc2ccccc2C1)C(=O)NCc1ccc(O)cc1
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@@H](c1cccc(NC(=O)CCCNC(=O)CCCCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c1)N1Cc2ccccc2C1)C(=O)NCc1ccc(O)cc1
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccc(OCCCN2CCN(C(=O)CCNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)CC2)cc1)N1Cc2ccccc2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccc(OCCCNC2CCN(C(=O)CCCCCNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)CC2)cc1)N1Cc2ccccc2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccc(OCCCNC(=O)C[C@H](O)C[C@H](O)CCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)N1Cc2ccccc2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccc(CCCOCCOCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)N1Cc2ccccc2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@@H](c1ccc(CCCOCCOCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)N1Cc2ccccc2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccccc1)N1Cc2cccc(NC(=O)CCCNC(=O)CCCCCNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)c2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccccc1)N1Cc2cccc(OCCCNC(=O)CCCCCNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)c2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1cccc(N(C)CCCNC(=O)CCCCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c1)N1Cc2ccccc2C1)C(=O)NCc1ccc(O)cc1
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1cccc(OCCCNC(=O)CCCCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c1)N1Cc2ccccc2C1)C(=O)NCc1ccc(O)cc1
CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1cccc(NCCCNC(=O)[C@H](N)CCCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c1)N1Cc2ccccc2C1)C(=O)NCc1c(F)cc(O)cc1F
CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1cccc(NCCCNC(=O)CCOCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c1)N1Cc2ccccc2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccc(OCCCNC(=O)CCOCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)N1Cc2ccccc2C1)C(=O)NCc1ccc(O)cc1
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccc(OCCCNc2c(NCCNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)c(=O)c2=O)cc1)N1Cc2ccccc2C1)C(=O)NCc1ccc(O)cc1
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccc(OCCCNC(=O)CCOCCNC(=O)c2ccc(CNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)cc2)cc1)N1Cc2ccccc2C1)C(=O)NCc1ccc(O)cc1
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccc(OCCCNC(=O)[C@H]2CC[C@H](CNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)CC2)cc1)N1Cc2ccccc2C1)C(=O)NCc1ccc(O)cc1
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1cccc(NC(=O)CCCNC(=O)CCCCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c1)N1Cc2ccccc2C1)C(=O)NCc1ccc(O)cc1
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1cccc(NCCCNC(=O)CCOCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c1)N1Cc2ccccc2C1)C(=O)NCc1ccc(O)cc1
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1cccc(NCCCNC(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c1)N1Cc2ccccc2C1)C(=O)NCc1ccc(O)cc1
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1cccc(NCCCNC(=O)NOCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c1)N1Cc2ccccc2C1)C(=O)NCc1ccc(O)cc1
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1cccc(NCCCNC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c1)N1Cc2ccccc2C1)C(=O)NCc1ccc(O)cc1
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1cccc(NCCCNC(=O)[C@H](N)CCCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c1)N1Cc2ccccc2C1)C(=O)NCc1ccc(O)cc1
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1cccc(NCCCNC(=O)CCC(=O)NCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c1)N1Cc2ccccc2C1)C(=O)NCc1ccc(O)cc1
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1cccc(NCCCNC(=O)CCCCCNC(=O)NCCONC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c1)N1Cc2ccccc2C1)C(=O)NCc1ccc(O)cc1
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1cccc(NCCCNC(=O)CCCCCNC(=O)CN2CCC(NC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)CC2)c1)N1Cc2ccccc2C1)C(=O)NCc1ccc(O)cc1
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1cccc(NCCCNC(=O)C[C@H](O)C[C@H](O)CCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c1)N1Cc2ccccc2C1)C(=O)NCc1ccc(O)cc1
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1cccc(NCCCNC(=O)[C@@H](CO)NC(=O)CCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c1)N1Cc2ccccc2C1)C(=O)NCc1ccc(O)cc1
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1cccc(NC(=O)CCCNc2c(NCCCCCCNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)c(=O)c2=O)c1)N1Cc2ccccc2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@@H](c1cccc(NC(=O)CCCNc2c(NCCCCCCNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)c(=O)c2=O)c1)N1Cc2ccccc2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1cccc(NC(=O)CCCNC(=O)[C@@H](CO)NC(=O)CCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c1)N1Cc2ccccc2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@@H](c1cccc(NC(=O)CCCNC(=O)[C@@H](CO)NC(=O)CCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c1)N1Cc2ccccc2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccccc1)N1Cc2cccc(NCCCNC(=O)CCCCCNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)c2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccccc1)N1Cc2cccc(NCCCNc3c(NCCCCCCNC(=O)CN4CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC4)c(=O)c3=O)c2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccc(OCCCN2CCN(C3CCN(C(=O)CCCCCNC(=O)CN4CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC4)CC3)CC2)cc1)N1Cc2ccccc2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccc(OCCCNC(=O)CCCCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)N1Cc2ccccc2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccc(OCCCNc2c(NCCCCCCNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)c(=O)c2=O)cc1)N1Cc2ccccc2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccc(OCCCNC(=O)CC2NC(=O)[C@@H](CCCNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)NC2=O)cc1)N1Cc2ccccc2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccc(OCCCN2CCN(C(=O)CCCCCNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)CC2)cc1)N1Cc2ccccc2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccccc1)N1Cc2cccc(NCCCNC(=O)C[C@H]3NC(=O)[C@@H](CCCNC(=O)CN4CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC4)NC3=O)c2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccccc1)N1Cc2cccc(NCCCNC(=O)C[C@H](O)C[C@H](O)CCNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)c2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccccc1)N1Cc2cccc(NCCCNC(=O)CCC(=O)NCCNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)c2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccc(OCCCNC(=O)CCC(=O)NCCOCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)N1Cc2ccccc2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccc(OCCCNC(=O)CONC(=O)CCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)N1Cc2ccccc2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccc(OCCCNC(=O)NCCONC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)N1Cc2ccccc2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccc(OCCCNC(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)N1Cc2ccccc2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccc(OCCCNC(=O)CCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)N1Cc2ccccc2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccc(OCCCNC(=O)[C@@H](CO)NC(=O)CCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)N1Cc2ccccc2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccc(OCCCNC(=O)CCC(=O)NCCNC(=O)CCC(C(=O)O)N2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)N1Cc2ccccc2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccc(OCCCNC(=O)[C@@H](CC(N)=O)NC(=O)CCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)N1Cc2ccccc2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccc(OCCCNC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CO)NC(=O)CCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)N1Cc2ccccc2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccc(OCCCNC(=O)CC2NC(=O)[C@@H](CCNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)NC2=O)cc1)N1Cc2ccccc2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccc(OCCCNC(=O)C[C@H](O)C[C@H](O)CCNC(=O)CCC(=O)NCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)N1Cc2ccccc2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccc(OCCCNC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)CCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)N1Cc2ccccc2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccc(OCCCNC(=O)CCN(C)CCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)N1Cc2ccccc2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccc(OCCCN(C)CCCCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)N1Cc2ccccc2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccc(OCCCCNC(=O)CCCCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)N1Cc2ccccc2C1)C(=O)NCc1ccc(O)cc1
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccc(OCCNC(=O)CCCCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)N1Cc2ccccc2C1)C(=O)NCc1ccc(O)cc1
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccc(OCCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)N1Cc2ccccc2C1)C(=O)NCc1ccc(O)cc1
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)N1Cc2ccccc2C1)C(=O)NCc1ccc(O)cc1
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccccc1)N1Cc2ccccc2C1)C(=O)NCc1ccc(O)cc1
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1)C(=O)NCc1ccc(O)cc1
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccccc1)N1Cc2ccccc2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@@H](c1ccc(OCCCN)cc1)N1Cc2ccccc2C1)C(=O)NCc1c(F)cc(O)cc1F
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1cccc(NCCCN)c1)N1Cc2ccccc2C1)C(=O)NCc1ccc(O)cc1
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccc(OCCCN)cc1)N1Cc2ccccc2C1)C(=O)NCc1ccc(O)cc1
CCC(=O)NCCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@@H](c1ccc(OCCCN)cc1)N1Cc2ccccc2C1)C(=O)NCc1ccc(O)cc1
CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)N1Cc2cccc(NCCCN)c2C1)C(=O)NCc1c(F)cc(O)cc1F
CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1ccccc1)N1Cc2ccc(NCCCN)cc2C1)C(=O)NCc1c(F)cc(O)cc1F
CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@H](c1cccc(NCCCN)c1)N1Cc2ccccc2C1)C(=O)NCc1c(F)cc(O)cc1F
CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)[C@@H](c1cccc(NCCCN)c1)N1Cc2ccccc2C1)C(=O)NCc1c(F)cc(O)cc1F
CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)N1Cc2ccccc2C1)C(=O)NCc1c(F)cc(O)cc1F
N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)N1Cc2ccccc2C1)C(=O)NCc1ccc(O)cc1
N=C(N)NCCC[C@@H](NC(=O)[C@H](c1ccccc1)N1Cc2ccccc2C1)C(=O)NCc1c(F)cc(O)cc1F
N=C(N)NCCC[C@@H](NC(=O)[C@H](c1ccccc1)N1Cc2ccccc2C1)C(=O)NCc1ccc(O)cc1
N=C(N)NCCC[C@@H](NC(=O)[C@H](c1ccccc1)N1Cc2ccccc2C1=O)C(=O)NCc1ccc(O)cc1
N=C(N)NCCC[C@@H](NC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O)C(=O)NCc1ccc(O)cc1
N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)N1CCCCC1)C(=O)NCc1ccc(O)cc1
N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)N1CCC(C(F)(F)F)CC1)C(=O)NCc1ccc(O)cc1
CC1(C)CCN(C(C(=O)N[C@H](CCCNC(=N)N)C(=O)NCc2ccc(O)cc2)c2ccccc2)CC1
CC1(C)CCCN(C(C(=O)N[C@H](CCCNC(=N)N)C(=O)NCc2ccc(O)cc2)c2ccccc2)C1
N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)N1CCC(c2ccccc2)CC1)C(=O)NCc1ccc(O)cc1
CC(C)C1CCN(C(C(=O)N[C@H](CCCNC(=N)N)C(=O)NCc2ccc(O)cc2)c2ccccc2)CC1
CCCC1CCN([C@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)NCc2ccc(O)cc2)c2ccccc2)CC1
CCCC1CCN([C@@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)NCc2ccc(O)cc2)c2ccccc2)CC1
CCC1CCN(C(C(=O)N[C@H](CCCNC(=N)N)C(=O)NCc2ccc(O)cc2)c2ccccc2)CC1
CC(C)(C)C1CCN(C(C(=O)N[C@H](CCCNC(=N)N)C(=O)NCc2ccc(O)cc2)c2ccccc2)CC1
N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)N1CCC(C2CC2)CC1)C(=O)NCc1ccc(O)cc1
CC(C)CC1CCN(C(C(=O)N[C@H](CCCNC(=N)N)C(=O)NCc2ccc(O)cc2)c2ccccc2)CC1
N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)N1CCC(C2CCCCC2)CC1)C(=O)NCc1ccc(O)cc1
N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)N1CCC2(CCCC2)CC1)C(=O)NCc1ccc(O)cc1
N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)N1CCC2(CC1)CC2)C(=O)NCc1ccc(O)cc1
N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)N1CCC(c2ccccc2)CC1)C(=O)NCc1ccc(O)cc1
N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)N1CCC2(CCCCC2)CC1)C(=O)NCc1ccc(O)cc1
CC1(C)C2CN([C@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)NCc3ccc(O)cc3)c3ccccc3)CC21
CC1(C)C2CN([C@@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)NCc3ccc(O)cc3)c3ccccc3)CC21
N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)N1CCC2(CCC2)CC1)C(=O)NCc1ccc(O)cc1
N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)N1CCC2(CC1)CC(F)(F)C2)C(=O)NCc1ccc(O)cc1
CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)N1CCC(C(C)(C)C)CC1)C(=O)NCc1ccc(O)cc1
CCNC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)N1CCC(C(C)(C)C)CC1)C(=O)NCc1c(F)cc(O)cc1F
CC1=C(C(C(=C(N1)C)C(=O)OC)c2cccc(c2)NC(=O)NCCCN3CCC(CC3)c4cccc(c4)OC)C(=O)OC
COC(=O)C1=CNC(C)=C(C1c1cccc(N\C(NCCCN2CCC(CC2)c2cccc(OC)c2)=N\C#N)c1)C(=O)OC |c:8,t:4|
COC(=O)C1=CNC(C)=C(C1c1cccc(Nc2nnc(CN3CCC(CC3)c3cccc(OC)c3)o2)c1)C(=O)OC |c:8,t:4|
COC(=O)C1=CNC(C)=C(C1c1cccc(Nc2c(NCCCN3CCC(CC3)c3cccc(OC)c3)c(=O)c2=O)c1)C(=O)OC |c:8,t:4|
Cc1cccc2n(CCCC3CCN(CCCCN4CCCCC4)CC3)c(COc3ccc(Cl)cc3)nc12
CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3CO)sc3ccccc23)CC1
CN(C)C1CCN(CCc2c(COc3ccc(Cl)cc3Cl)sc3ccccc23)CC1
C[C@@H](NC(=O)C(CCCNC(N)=N)NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1
Oc1ccc2CN(CCCc2c1)C(=O)C(CCCNC(=N)NCCCc1ccccc1)NC(=O)Cc1ccc(cc1)-c1ccccc1
NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCCc2cc(O)ccc2C1
NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccccc1
NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1
NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ccccc12
NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)NCc1ccccc1
CC(NC(=O)C(CCCNC(N)=N)NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(O)cc1
Nc1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 |wU:12.12,wD:15.16,(-.51,-.5,;-.51,-2.04,;-1.84,-2.81,;-1.84,-4.36,;-.51,-5.13,;.84,-4.36,;.84,-2.81,;2.17,-2.03,;2.16,-.49,;2.58,-3.52,;3.52,-2.79,;4.85,-2.02,;6.18,-2.79,;7.51,-2.01,;8.85,-2.78,;8.85,-4.33,;10.19,-5.1,;11.53,-4.33,;12.87,-5.1,;14.2,-4.33,;14.19,-2.79,;15.53,-2.02,;16.87,-2.79,;18.2,-2.04,;19.52,-2.81,;19.51,-4.35,;18.18,-5.11,;16.86,-4.33,;15.53,-5.11,;7.51,-5.1,;6.18,-4.33,)|
CC\C=C/CCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1
CCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Clc1ccc(OCc2c(C(=O)CN3CCC(CC3)N3CCCCC3)c3ccccc3n2CCC[C@@H]2CCCNC2)cc1
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
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CC[C@H](C)[C@H](NC(=O)C1CNC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N1)NC(=O)[C@@H](N)Cc4ccc(O)cc4)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc5ccc(O)cc5)C(O)=O
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
CCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
CCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
CCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CSSC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
CCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
CCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
CCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Clc1ccc(OCc2c(C(=O)CN3CCC(CC3)N3CCCCC3)c3ccccc3n2CCC[C@H]2CCCNC2)cc1
Cn1c(COc2ccc(Cl)cc2)c(CN2CCCCC2)c2ccccc12
Cn1c(COc2ccc(Cl)cc2)c(CCN2CCCCC2)c2ccccc12
Clc1ccc(OCc2c(C(=O)CN3CCC(CC3)N3CCCCC3)c3ccccc3n2CCC2CCNCC2)cc1
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(-[#8])cc1 |r|
Clc1ccc(OCc2c(CN3CCC(CC3)N3CCCCC3)c3ccccc3n2CCN2CCCCC2)cc1
Cn1c(COc2ccc(Cl)cc2)c(C(=O)C(=O)N2CCC(CC2)N2CCCCC2)c2ccccc12
Cn1c(COc2ccc(Cl)cc2)c(CN2CCC(CC2)N2CCCCC2)c2ccccc12
Cn1c(COc2ccc(Cl)cc2Cl)c(CN2CCCCC2)c2ccccc12
Cn1c(COc2ccc(Cl)cc2)c(C(=O)CN2CCC(CC2)N2CCCCC2)c2ccccc12
Cn1c(COc2ccc(Cl)cc2)c(CCN2CCC(CC2)N2CCCCC2)c2ccccc12
Clc1ccc(OCc2nc3c(OCCC[C@H]4CCCNC4)cccc3n2CCC[C@@H]2CCCNC2)cc1
Clc1ccc(OCc2nc3c(OCCC4CCNCC4)cccc3n2CCCC2CCCNC2)cc1
Clc1ccc(OCc2nc3c(OCCC[C@@H]4CCCNC4)cccc3n2CCC[C@@H]2CCCNC2)cc1
Cc1ccc2n(CCCC3CCCNC3)c(COc3ccc(Cl)cc3)nc2c1
Cc1cccc2n(CCCC3CCCNC3)c(COc3ccc(Cl)cc3)nc12
Clc1ccc(OCc2nc3c(OCCC4CCCNC4)cccc3n2CCCC2CCCNC2)cc1
Clc1ccc(OCc2nc3c(OCCCN4CCCCC4)cccc3n2CCCC2CCCNC2)cc1
Clc1ccc(OCc2nc3c(OCCCC4CCCNC4)cccc3n2CCCC2CCCNC2)cc1
Clc1ccc(OCc2nc3ccccc3n2CCC2CCNCC2)cc1
Oc1cccc2n(CCCC3CCCNC3)c(COc3ccc(Cl)cc3)nc12
Clc1ccc(OCc2nc3c(OCCN4CCCCC4)cccc3n2CCCC2CCCNC2)cc1
Clc1ccc(OCc2nc3ccccc3n2CCCC2CCNCC2)cc1
Cc1cccc2nc(COc3ccc(Cl)cc3)n(CCCC3CCCNC3)c12
Clc1ccc(OCc2nc3ccccc3n2CCC2CCCNC2)cc1
Clc1ccc(OCc2nc3c(OCCC[C@@H]4CCCNC4)cccc3n2CCC[C@H]2CCCNC2)cc1
Clc1ccc(OCc2nc3c(OCCCC4CCCCN4)cccc3n2CCCC2CCCNC2)cc1
Clc1ccc(OCc2nc3c(OCCC[C@H]4CCCNC4)cccc3n2CCC[C@H]2CCCNC2)cc1
Clc1ccc(OCc2nc3c(OCCC4CCCCN4)cccc3n2CCCC2CCCNC2)cc1
Clc1ccc(OCc2nc3ccccc3n2CCCC2CCCCN2)cc1
Clc1ccc(OCc2nc3c(OCCCC4CCNCC4)cccc3n2CCCC2CCCNC2)cc1
Clc1ccc(OCc2nc3ccccc3n2CCN2CCCCC2)cc1
Clc1ccc(OCc2nc3ccccc3n2CCCC2CCCNC2)cc1
Clc1ccc(OCc2nc3ccccc3n2CCCN2CCCCC2)cc1
Clc1ccc(OCc2nc3ccccc3n2CCCCC2CCCNC2)cc1
Clc1ccc(OCc2nc3ccccc3n2CCC2CCCCN2)cc1
Cc1cccc2n(CCCC3CCN(CCN4CCCCC4)CC3)c(COc3ccc(Cl)cc3)nc12
Cc1cccc2n(CCCC3CCN(CCCC(N)=O)CC3)c(COc3ccc(Cl)cc3)nc12
Cc1cccc2n(CCCC3CCN(CC3)C(=O)CCN3CCCCC3)c(COc3ccc(Cl)cc3)nc12
CN1CCC(CCCn2c(COc3ccc(Cl)cc3)nc3c(C)cccc23)CC1
Cc1cccc2n(CCCC3CCN(CCCc4ccccc4)CC3)c(COc3ccc(Cl)cc3)nc12
CC(C)CCN1CCC(CCCn2c(COc3ccc(Cl)cc3)nc3c(C)cccc23)CC1
Cc1cccc2n(CCCC3CCN(CC(O)=O)CC3)c(COc3ccc(Cl)cc3)nc12
Cc1cccc2n(CCCC3CCN(CCc4ccccc4)CC3)c(COc3ccc(Cl)cc3)nc12
Cc1cccc2n(CCCC3CCN(CCCC(O)=O)CC3)c(COc3ccc(Cl)cc3)nc12
Cc1cccc2n(CCCC3CCN(CCCC(=O)N4CCCCC4)CC3)c(COc3ccc(Cl)cc3)nc12
CCOC(=O)CN1CCC(CCCn2c(COc3ccc(Cl)cc3)nc3c(C)cccc23)CC1
CCOC(=O)CCCN1CCC(CCCn2c(COc3ccc(Cl)cc3)nc3c(C)cccc23)CC1
Cc1cccc2n(CCCC3CCN(CCCN4CCCCC4)CC3)c(COc3ccc(Cl)cc3)nc12
Cc1cccc2n(CCCC3CCNCC3)c(COc3ccc(Cl)cc3)nc12
Cc1cccc2n(CCCC3CCN(CC(=O)N4CCCCC4)CC3)c(COc3ccc(Cl)cc3)nc12
Cc1cccc2n(CCCC3CCN(Cc4ccccc4)CC3)c(COc3ccc(Cl)cc3)nc12
CCCN1CCC(CCCn2c(COc3ccc(Cl)cc3)nc3c(C)cccc23)CC1
O=C(CN1CCC(CC1)n1c2ccccc2[nH]c1=O)Nc1ccc2C(=O)c3ccccc3-c2c1
CC[C@H]1CC[C@](CC1)(N1CCN(CC1)c1ccccc1)c1cccc(OCOC)c1 |wU:5.8,2.1,(9.31,-1.88,;7.97,-2.65,;7.97,-4.19,;9.31,-4.96,;9.31,-6.51,;7.97,-7.28,;6.65,-6.51,;6.65,-4.96,;9.31,-8.05,;10.62,-7.28,;11.96,-8.05,;11.96,-9.59,;10.62,-10.34,;9.29,-9.59,;13.29,-10.37,;14.61,-9.59,;15.95,-10.37,;15.95,-11.91,;14.6,-12.68,;13.27,-11.91,;6.64,-8.05,;6.64,-9.61,;5.29,-10.38,;3.96,-9.61,;3.96,-8.07,;2.63,-7.3,;1.29,-8.07,;-.04,-7.3,;-1.38,-8.07,;5.29,-7.28,)|
Clc1ccc(OCc2sc3ccccc3c2CN2CCCCC2)cc1
CN(C)C1CCN(CCc2c(sc3ccccc23)C(Oc2ccc(Cl)cc2Cl)c2ccccc2)CC1
CN(C)C1CCN(CCc2c(Cc3ccc(Cl)cc3Cl)sc3ccccc23)CC1
COC(c1sc2ccccc2c1CCN1CCC(CC1)N(C)C)c1ccc(Cl)cc1Cl
CN(C)C1CCN(CCc2c(COc3ccc(C)cc3)sc3ccccc23)CC1
CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3Br)sc3ccccc23)CC1
CN(C)C1CCN(CCc2c(COc3c(Br)cc(Br)cc3Br)sc3ccccc23)CC1
CN(C)C1CCN(CCc2c(\C=C\c3ccc(Cl)cc3Cl)sc3ccccc23)CC1
Clc1ccc(OCc2sc3ccccc3c2CCN2CCCCC2)cc1
CN(C)C1CCN(CCc2c(COc3ccc(cc3Br)C#N)sc3ccccc23)CC1
CN(C)C1CCN(CCc2c(COc3ccccc3Br)sc3ccccc23)CC1
CN(C)C1CCN(CCc2c(sc3ccccc23)C(C)(C)Oc2ccc(Cl)cc2Cl)CC1
CN(C)C1CCN(CCc2c(COc3ccc(cc3)-c3ccccc3)sc3ccccc23)CC1
CN(C)C1CCN(CCc2c(COc3ccc(C)cc3C(C)(C)C)sc3ccccc23)CC1
CC(CN1CCC(CC1)N(C)C)c1c(COc2ccc(Cl)cc2Cl)sc2ccccc12
CN(C)C1CCN(CCc2c(COc3ccccc3CC=C)sc3ccccc23)CC1
CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3C)sc3ccccc23)CC1
CN(C)C1CCN(CCc2c(COc3ccc(cc3)C(F)(F)F)sc3ccccc23)CC1
CN(C)C1CCN(CCc2c(COc3ccc(CO)cc3Br)sc3ccccc23)CC1
Clc1ccc(OCc2sc3ccccc3c2CCCN2CCCCC2)cc1
CN(C)C1CCN(CCc2c(C=Nc3ccc(Cl)cc3Cl)sc3ccccc23)CC1 |w:12.12|
CN(C)C1CCN(CCc2c(sc3ccccc23)-c2ccc(Cl)cc2Cl)CC1
CN(C)C1CCN(CCc2c(sc3ccccc23)C(O)c2ccc(Cl)cc2Cl)CC1
CNCc1cc(Br)ccc1OCc1sc2ccccc2c1CCN1CCC(CC1)N(C)C
CN(C)C1CCN(CCc2c(sc3ccccc23)C(=O)Nc2ccc(Cl)cc2Cl)CC1
CN(C)C1CCN(CCc2c(CCOc3ccc(Cl)cc3Cl)sc3ccccc23)CC1
CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3C(F)(F)F)sc3ccccc23)CC1
CN(C)Cc1cc(Br)ccc1OCc1sc2ccccc2c1CCN1CCC(CC1)N(C)C
CN(C)C1CCN(CCc2c(CN=Nc3ccc(Cl)cc3Cl)sc3ccccc23)CC1 |w:13.13|
CN(C)C1CCN(CCc2c(CNc3ccc(Cl)cc3Cl)sc3ccccc23)CC1
CN(C)C1CCN(CCc2c(COc3ccc(Cl)cc3)sc3ccccc23)CC1
CN(C)C1CCN(CCc2c(COc3ccc(C)cc3Br)sc3ccccc23)CC1
CN(C)C1CCN(CCc2c(COc3ccccc3I)sc3ccccc23)CC1
COCc1cc(Br)ccc1OCc1sc2ccccc2c1CCN1CCC(CC1)N(C)C
CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3C(N)=O)sc3ccccc23)CC1
CN(C)C1CCN(CCc2c(COc3ccccc3C)sc3ccccc23)CC1
CN(C)C1CCN(CCc2c(COc3ccccc3C=O)sc3ccccc23)CC1
CN(C)C1CCN(CCc2c(sc3ccccc23)C#Cc2ccc(Cl)cc2Cl)CC1
CC(Oc1ccc(Cl)cc1Cl)c1sc2ccccc2c1CCN1CCC(CC1)N(C)C
CN(C)C1CCN(CCc2c(COc3ccccc3)sc3ccccc23)CC1
CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3C#N)sc3ccccc23)CC1
CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3)sc3ccccc23)CC1
CN(C)C1CCN(CCc2c(COc3ccc(C)cc3C)sc3ccccc23)CC1
CN(C)C1CCN(CCc2c(COc3c(C)cc(C)cc3C)sc3ccccc23)CC1
CN(C)C1CCN(CCc2c(COc3ccccc3CO)sc3ccccc23)CC1
CN(C)C1CCN(CCc2c(CO)sc3ccccc23)CC1
CN(C)C1CCN(CCc2c(sc3ccccc23)C(=O)c2ccc(Cl)cc2Cl)CC1
C=CCCN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc23)CC1
C(COc1cccc2n(CCCC3CCN(CCC4CCCCC4)CC3)c(COc3ccccc3)nc12)CN1CCCCC1
C(COc1cccc2n(CCCC3CCN(CC4CCCCC4)CC3)c(COc3ccccc3)nc12)CN1CCCCC1
C(COc1cccc2n(CCCC3CCN(CCCc4ccccc4)CC3)c(COc3ccccc3)nc12)CN1CCCCC1
C=CCN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc23)CC1
C(COc1cccc2n(CCCC3CCN(CCCN4CCCCC4)CC3)c(COc3ccccc3)nc12)CN1CCCCC1
CN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc23)CC1
O=C(CCCN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc23)CC1)c1ccccc1
Oc1ccc(CCN2CCC(CCCn3c(COc4ccccc4)nc4c(OCCCN5CCCCC5)cccc34)CC2)cc1
CC(C)CCN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc23)CC1
CC(C)CN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc23)CC1
C(COc1cccc2n(CCCC3CCNCC3)c(COc3ccccc3)nc12)CN1CCCCC1
Clc1ccc(OCc2c(C(=O)CN3CCC(CC3)N3CCCCC3)c3ccccc3n2CCCC2CCCNC2)cc1
CC(C)N1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc23)CC1
C(COc1cccc2n(CCCC3CCN(CCc4ccccc4)CC3)c(COc3ccccc3)nc12)CN1CCCCC1
Ic1ccc(CCN2CCC(CCCn3c(COc4ccccc4)nc4c(OCCCN5CCCCC5)cccc34)CC2)cc1
C(COc1cccc2n(CCCC3CCN(C\C=C/c4ccccc4)CC3)c(COc3ccccc3)nc12)CN1CCCCC1
O=C(CCN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc23)CC1)c1ccccc1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(N=C(NC(C)C)Nc3ccc(O)cc3)C2=O)c1 |w:23.23|
COC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccc3)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3nncs3)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3nccs3)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3nc4ccccc4s3)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4[nH]ncc4c3)C2=O)c1
CNC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccc3)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc(cc3)-c3ccccc3)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4ncsc4c3)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4C(=O)N(C)C(=O)c4c3)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4sccc4c3)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc(cc3)N(C)C)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3OCC(NC(=O)Nc3ccccc3)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc(O)cc3)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccc3F)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4CCCc4c3)C2=O)c1
CC(C)(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccc3)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCCC(NC(=O)Nc3ccccc3)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4OCOc4c3)C2=O)c1
CC(C)CNC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccc3)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(N=C(N)Nc3ccc(O)cc3)C2=O)c1 |w:23.23|
CNC(Nc1ccccc1)=NC1CCc2ccccc2N(Cc2cccc(NC(=O)NC(C)C)c2)C1=O |w:10.11|
O=C(NC1CCc2ccccc2N(Cc2cccc(NC(=O)Oc3ccccc3)c2)C1=O)Nc1ccccc1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccc3)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4OCCOc4c3)C2=O)c1
O=C(NC1CC1)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccc3)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc(N)cc3)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2CCCCC(NC(=O)Nc3ccccc3)C2=O)c1
CC(C)NC(=O)Cc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccc3)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(N=C(NCCO)Nc3ccc(O)cc3)C2=O)c1 |w:23.23|
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)c3ccccc3)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3cnc4ccccc4c3)C2=O)c1
Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccc3)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc(F)cc3)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(COC(=O)Nc3ccccc3)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc(cc3)[N+]([O-])=O)C2=O)c1
CC(C)OC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccc3)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4C(=O)NC(=O)c4c3)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4ocnc4c3)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4[nH]ccc4c3)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3cc(F)cc(F)c3)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc(Cl)cc3)C2=O)c1
O=C(NC1CCc2ccccc2N(Cc2cccc(NC(=O)N3CCOCC3)c2)C1=O)Nc1ccccc1
CC(C)NC(=O)Nc1nc(CN2c3ccccc3OCC(NC(=O)Nc3ccc(F)cc3F)C2=O)cs1
NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccc3)C2=O)c1
COc1ccc(NC(=O)NC2CCc3ccccc3N(Cc3cccc(NC(=O)NC(C)C)c3)C2=O)cc1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(CNC(=O)Nc3ccccc3)C2=O)c1
O=C(NC1CCc2ccccc2N(Cc2cccc(NC(=O)Nc3ccccc3)c2)C1=O)Nc1ccccc1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(OC(=O)Nc3ccccc3)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccn3)C2=O)c1
CN(C(=O)OC(C)(C)C)c1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccc3)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Oc3ccccc3)C2=O)c1
CC(C)(C)OC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccc3)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccncc3)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4ccsc4c3)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3cccc(F)c3F)C2=O)c1
CNC(Nc1ccc(O)cc1)=NC1CCc2ccccc2N(Cc2cccc(NC(=O)NC(C)C)c2)C1=O |w:11.12|
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NS(=O)(=O)c3ccccc3)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4ncccc4c3)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4ccoc4c3)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc(F)cc3F)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4scnc4c3)C2=O)c1
CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccn[nH]3)C2=O)c1
COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)N1Cc2ccccc2C1=O
NCCCCNc1nc(N)c2cc(ccc2n1)-c1ccccc1
O=S(=O)(NC[C@H]1CC[C@H](CNCc2ccc3ccccc3c2)CC1)c1ccc2ccccc2c1 |wU:8.8,wD:5.4,(14.76,-4.11,;14.78,-5.65,;14.76,-7.18,;13.46,-4.87,;12.12,-5.62,;10.79,-4.85,;10.81,-3.3,;9.47,-2.51,;8.15,-3.28,;6.82,-2.49,;5.48,-3.25,;4.15,-2.49,;2.82,-3.25,;2.82,-4.79,;1.48,-5.55,;.15,-4.78,;-1.18,-5.55,;-2.5,-4.78,;-2.5,-3.23,;-1.18,-2.47,;.15,-3.23,;1.48,-2.47,;8.13,-4.83,;9.45,-5.6,;16.13,-4.9,;16.13,-3.36,;17.48,-2.61,;18.8,-3.4,;20.15,-2.65,;21.47,-3.44,;21.45,-4.99,;20.09,-5.74,;18.78,-4.94,;17.46,-5.68,)|
CCCCN(CCCC)CCCNc1nc(Nc2cccc(c2)C(F)(F)F)c2ccccc2n1
COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)N1C(=O)CC(CC1=O)C1CCCCC1
NC(=N)NCCCC(NC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)NCc1ccccc1
NC(=N)NCCCC(NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)NCc1ccccc1
NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1
NC(=N)NCCCC(NC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ccccc12
NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccc(O)cc1
NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](CO)c1ccccc1
NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC1CCc2cc(O)ccc12
C[C@H](NC(=O)C(CCCNC(N)=N)NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1
NC(=N)NCCCC(NC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)N1CCCc2ccccc2C1
NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)N1CCCc2ccccc2C1
NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccccn1
NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H]1CCc2ccccc12
NC(=N)NCCCC(NC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N1CCCc2ccccc2C1
NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCCc1ccccn1
NC(=N)NCCCC(NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCCc2ccccc2C1
NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CO)c1ccccc1
NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](C(N)=O)c1ccccc1
NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCCc2ccccc2C1
NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H]1CCc2ccccc12
CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccsc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
CC(C)C[C@H](NC[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@H](CN[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(C)C
CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O
CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(N)=O
CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
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CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC
CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCC(=O)NC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O
CCN(c1ccccc1)c1ccc(NC(=O)N(C)[C@H](C)[C@@H](O)c2ccccc2)cc1
C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
COc1ccc(CC(C)N(C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1cccc(Oc2ccccc2)c1
C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1
CC(Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1
CC(Cc1ccc(F)cc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1
CCC(Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1
C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2cccc(c2)[N+]([O-])=O)cc1
C[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1
C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1
C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(OCc2ccccc2)cc1
C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccc(C)c(C)c2)cc1
C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc2oc3ccccc3c2c1
CCn1c2ccccc2c2cc(NC(=O)N(C)[C@H](C)[C@@H](O)c3ccccc3)ccc12
CN(C(Cc1ccccc1)c1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1
C[C@H]([C@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=S)NCCCN2CCC(CC2)c2cccc(OC)c2)c1 |c:13,t:10|
COC(=O)C1N(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCN(CC2)C2CCCCC2)c1 |c:13,t:10|
COC(=O)C1N(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCC(CC2)c2cccc(OC)c2)c1 |c:13,t:10|
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCCN2CCC(CC2)c2ccccc2)=NC#N)c1 |w:39.42,c:13,t:10|
COC(=O)C1N(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCCN2CCC(CC2)c2ccccc2)=NC#N)c1 |w:39.42,c:13,t:10|
COC(=O)C1N(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=S)NCCCN2CCN(CC2)C2CCCCC2)c1 |c:13,t:10|
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCN(CC2)C2CCCCC2)c1 |c:13,t:10|
COC(=O)C1N(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCCN2CCC(CC2)C(C)(C)C)=NC#N)c1 |w:37.39,c:13,t:10|
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=S)NCCCN2CCN(CC2)C2CCCCC2)c1 |c:13,t:10|
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCC(CC2)c2cccc(OC)c2)c1 |c:13,t:10|
COC(=O)C1N(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=S)NCCCN2CCC(CC2)C(C)(C)C)c1 |c:13,t:10|
COC(=O)C1N(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=S)NCCCN2CCC(CC2)c2cccc(OC)c2)c1 |c:13,t:10|
CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccccc2)c1)C(=O)OC |c:5,t:8|
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCNCC2)c1 |c:13,t:10|
CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccc(OC)cc2)c1)C(=O)OC |c:5,t:8|
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCCCC2)c1 |c:13,t:10|
CCCCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccccc2OC)c1)C(=O)OC |c:7,t:10|
CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCC(CC2)c2ccccc2)c1)C(=O)OC |c:5,t:8|
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCC(CC2)c2cccc(O)c2)c1 |c:13,t:10|
CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccccc2O)c1)C(=O)OC |c:5,t:8|
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCC(CC2)c2cccc(c2)-c2ccccc2)c1 |c:13,t:10|
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCC(CC2)C2CCCCC2)c1 |c:13,t:10|
CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccccc2C)c1)C(=O)OC |c:5,t:8|
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccccc2OC)c1 |c:13,t:10|
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCC(CC2)c2ccccc2OC)c1 |c:13,t:10|
COC(=O)C1C(C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccccc2OC)c1 |c:16,t:13|
CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccc(C)cc2)c1)C(=O)OC |c:5,t:8|
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCC(CC2)c2ccccc2)c1 |c:13,t:10|
CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccc(Cl)c(Cl)c2)c1)C(=O)OC |c:5,t:8|
CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccccc2OC)c1)C(=O)OC |c:5,t:8|
COC(=O)C1=C(C)N=C(C)C(C#N)C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccccc2OC)c1 |c:4,t:7|
CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2ccc(Cl)cc2)c1)C(=O)OC |c:5,t:8|
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCCN2CCC(Cc3ccccc3)CC2)c1 |c:13,t:10|
CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(NC(=O)NCCCN2CCN(CC2)c2cccc(O)c2)c1)C(=O)OC |c:5,t:8|
COc1ccc2CCCC(Cc2c1)NCC1CCN(CCNS(=O)(=O)c2cccc3ccccc23)CC1
COc1ccc2CCCC(Cc2c1)NC1CCN(CCNS(=O)(=O)c2cccc3ccccc23)CC1
Cc1ccc2CCCC(Cc2c1)NCC1CCN(CCNS(=O)(=O)c2cccc3ccccc23)CC1
COc1ccc2CCCC(CNCC3CN(CCNS(=O)(=O)c4cccc5ccccc45)C3)Cc2c1
COc1ccc2CCCC(CNCCN3CCC(CNS(=O)(=O)c4cccc5ccccc45)CC3)Cc2c1
[O-][N+](=O)c1ccc2CCCC(Cc2c1)NCC1CCN(CCNS(=O)(=O)c2cccc3ccccc23)CC1
COc1ccc2CCCC(CNC3CCN(CCNS(=O)(=O)c4cccc5ccccc45)CC3)Cc2c1
COc1ccc2CCCC(Cc2c1)NCCN1CCC(CNS(=O)(=O)c2cccc3ccccc23)CC1
Clc1ccc2CCCC(Cc2c1)NCC1CCN(CCNS(=O)(=O)c2cccc3ccccc23)CC1
O=S(=O)(NC[C@@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1)c1cccc2ccccc12 |wU:5.4,8.8,(20.02,-8.52,;20.02,-6.98,;20.02,-5.43,;18.69,-6.2,;17.36,-6.99,;16.03,-6.22,;15.25,-4.89,;13.73,-4.87,;12.96,-6.2,;11.63,-5.43,;10.29,-6.2,;8.96,-5.43,;7.61,-6.2,;7.61,-7.75,;6.27,-8.52,;4.93,-7.72,;3.6,-8.52,;2.27,-7.75,;2.27,-6.2,;3.6,-5.43,;4.94,-6.2,;6.27,-5.41,;13.73,-7.54,;15.25,-7.54,;21.37,-6.2,;22.13,-7.54,;23.65,-7.54,;24.42,-6.23,;23.65,-4.9,;24.42,-3.58,;23.65,-2.25,;22.13,-2.27,;21.37,-3.59,;22.13,-4.9,)|
COc1cc2CCCC(Cc2cc1OC)NCC1CCN(CCNS(=O)(=O)c2cccc3ccccc23)CC1
COc1ccc2CCCC(CNCC3CCN(CCNS(=O)(=O)c4cccc5ccccc45)CC3)Cc2c1
COc1ccc2CCCC(Cc2c1)NCC1CCN(CC1)C(=O)Cn1c2cc(Cl)ccc2sc1=O
[O-][N+](=O)c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 |wU:14.14,wD:17.18,(-3.71,-.58,;-5.05,-1.36,;-6.38,-.59,;-5.04,-2.91,;-6.38,-3.68,;-6.38,-5.24,;-5.04,-6.01,;-3.71,-5.24,;-3.71,-3.68,;-2.38,-2.9,;-2.38,-1.36,;-1.96,-4.4,;-1.03,-3.67,;.3,-2.9,;1.64,-3.66,;2.97,-2.88,;4.31,-3.65,;4.31,-5.19,;5.64,-5.96,;6.98,-5.19,;8.32,-5.96,;9.66,-5.19,;9.64,-3.66,;10.99,-2.88,;12.33,-3.67,;13.65,-2.91,;14.97,-3.67,;14.97,-5.21,;13.64,-5.99,;12.31,-5.2,;10.99,-5.97,;2.98,-5.96,;1.64,-5.2,)|
O=S(=O)(NCCCCCCNCc1ccc2ccccc2c1)c1ccc2ccccc2c1
O=S(=O)(NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1)c1cccc2ccccc12 |wU:5.4,wD:8.8,(-1.14,-3.49,;-1.56,-2,;-1.56,-.45,;-.2,-2.77,;1.13,-2,;2.46,-2.76,;3.8,-1.97,;5.13,-2.74,;5.13,-4.29,;6.46,-5.06,;7.79,-4.29,;9.15,-5.06,;10.48,-4.29,;10.46,-2.76,;11.82,-1.99,;13.15,-2.77,;14.48,-2.01,;15.79,-2.77,;15.79,-4.31,;14.46,-5.08,;13.12,-4.3,;11.82,-5.07,;3.8,-5.06,;2.46,-4.3,;-2.89,-2.78,;-2.87,-4.31,;-4.2,-5.1,;-5.56,-4.33,;-5.56,-2.79,;-6.89,-2.02,;-6.89,-.5,;-5.56,.28,;-4.22,-.48,;-4.22,-2.02,)|
FC(F)(F)c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCc2ccc3ccccc3c2)CC1 |wU:15.15,wD:18.19,(-6.68,-.35,;-5.32,-1.12,;-3.83,-1.52,;-3.99,-.35,;-5.32,-2.67,;-6.66,-3.44,;-6.66,-4.99,;-5.32,-5.75,;-3.99,-4.98,;-3.99,-3.44,;-2.66,-2.65,;-2.24,-4.14,;-2.66,-1.11,;-1.3,-3.41,;.03,-2.64,;1.36,-3.41,;2.7,-2.63,;4.03,-3.4,;4.03,-4.94,;5.36,-5.71,;6.69,-4.94,;8.05,-5.71,;9.38,-4.94,;9.36,-3.41,;10.72,-2.64,;12.05,-3.41,;13.38,-2.65,;14.69,-3.41,;14.69,-4.96,;13.36,-5.73,;12.03,-4.96,;10.72,-5.71,;2.7,-5.71,;1.36,-4.96,)|
[O-][N+](=O)c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCc2ccc3ccccc3n2)CC1 |wU:14.14,wD:17.18,(3.83,-5.18,;2.48,-5.95,;1.15,-5.2,;2.5,-7.47,;1.17,-8.28,;1.17,-9.82,;2.5,-10.59,;3.83,-9.82,;3.83,-8.26,;5.16,-7.47,;5.56,-8.98,;5.16,-5.95,;6.49,-8.26,;7.82,-7.47,;9.17,-8.24,;10.48,-7.47,;11.83,-8.24,;11.83,-9.78,;13.17,-10.55,;14.5,-9.78,;15.83,-10.55,;17.16,-9.78,;17.16,-8.24,;18.49,-7.47,;19.83,-8.26,;21.15,-7.47,;22.48,-8.26,;22.47,-9.8,;21.14,-10.57,;19.82,-9.78,;18.49,-10.55,;10.5,-10.55,;9.17,-9.78,)|
OCC(Cc1ccc(Cl)cc1)NC[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3ccccc23)CC1 |wU:16.17,wD:13.13,(6.46,-5.19,;7.82,-4.42,;7.79,-2.88,;9.15,-2.1,;10.48,-2.88,;11.82,-2.1,;13.15,-2.86,;13.15,-4.42,;14.48,-5.19,;11.82,-5.19,;10.48,-4.42,;6.46,-2.1,;5.13,-2.88,;3.8,-2.11,;3.8,-.57,;2.46,.2,;1.13,-.58,;-.2,.19,;-1.54,-.58,;-2.89,.18,;-2.96,-1.27,;-2.89,1.72,;-4.22,-.61,;-4.22,-2.15,;-5.56,-2.92,;-6.89,-2.16,;-6.89,-.61,;-8.22,.14,;-8.22,1.68,;-6.89,2.46,;-5.56,1.7,;-5.56,.16,;1.13,-2.13,;2.46,-2.88,)|
O=S(=O)(NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1)c1ccc2ccccc2c1 |wU:5.4,wD:8.8,(-1.75,.27,;-1.73,-1.27,;-1.32,-2.77,;-.39,-2.04,;.94,-1.27,;2.28,-2.04,;3.61,-1.25,;4.94,-2.02,;4.94,-3.56,;6.29,-4.33,;7.62,-3.56,;8.96,-4.33,;10.3,-3.56,;10.29,-2.04,;11.63,-1.27,;12.96,-2.04,;14.29,-1.29,;15.62,-2.04,;15.6,-3.59,;14.27,-4.36,;12.95,-3.59,;11.63,-4.36,;3.61,-4.33,;2.28,-3.59,;-3.06,-2.07,;-3.06,-3.61,;-4.41,-4.38,;-5.74,-3.61,;-7.08,-4.38,;-8.41,-3.61,;-8.41,-2.07,;-7.08,-1.29,;-5.74,-2.07,;-4.41,-1.29,)|
[O-][N+](=O)c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCc2ccnc3ccccc23)CC1 |wU:14.14,wD:17.18,(-2.1,1.7,;-3.45,.9,;-4.77,1.68,;-3.45,-.64,;-4.77,-1.41,;-4.76,-2.95,;-3.45,-3.73,;-2.1,-2.95,;-2.1,-1.41,;-.76,-.62,;-.35,-2.11,;-.77,.93,;.58,-1.39,;1.92,-.62,;3.25,-1.39,;4.57,-.59,;5.92,-1.36,;5.92,-2.91,;7.26,-3.68,;8.59,-2.91,;9.94,-3.68,;11.27,-2.91,;11.25,-1.39,;12.6,-.62,;13.94,-1.39,;13.92,-2.91,;15.24,-3.68,;15.27,-5.2,;13.94,-5.97,;12.6,-5.22,;12.6,-3.68,;4.57,-3.68,;3.25,-2.93,)|
FC(F)(F)c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCc2cccc3ccccc23)CC1 |wU:15.15,wD:18.19,(-2.91,-.38,;-4.25,-1.15,;-5.58,-.41,;-2.75,-1.55,;-4.22,-2.7,;-5.56,-3.49,;-5.56,-5.03,;-4.22,-5.81,;-2.89,-5.03,;-2.89,-3.47,;-1.56,-2.7,;-1.16,-4.19,;-1.56,-1.15,;-.23,-3.47,;1.11,-2.7,;2.46,-3.44,;3.77,-2.67,;5.13,-3.44,;5.13,-4.99,;6.46,-5.76,;7.79,-4.99,;9.13,-5.76,;10.46,-4.99,;10.46,-3.44,;11.79,-2.67,;13.12,-3.47,;13.12,-4.99,;14.43,-5.76,;14.46,-7.28,;13.12,-8.05,;11.79,-7.28,;11.79,-5.76,;3.8,-5.76,;2.46,-4.99,)|
CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
Clc1ccc(cc1)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)C(=O)NNC(=O)c1cccs1 |wU:12.12,wD:15.19,(-1.89,-5.71,;-.54,-4.98,;.78,-5.79,;2.13,-5.07,;2.18,-3.54,;.87,-2.71,;-.48,-3.44,;3.53,-2.82,;2.77,-1.31,;4.81,-1.61,;4.84,-3.64,;6.2,-2.91,;7.51,-3.73,;8.87,-3.01,;10.17,-3.81,;10.12,-5.35,;8.77,-6.09,;7.45,-5.27,;11.43,-6.16,;11.38,-7.7,;12.78,-5.44,;14.09,-6.25,;15.45,-5.53,;15.49,-3.99,;16.75,-6.33,;16.87,-7.87,;18.36,-8.23,;19.15,-6.93,;18.17,-5.74,)|
O=C(NNC(=O)c1cc2ccccc2s1)[C@H]1CC[C@H](CNS(=O)(=O)c2cccs2)CC1 |wU:18.20,wD:15.16,(9.45,.83,;9.5,2.37,;10.85,3.09,;12.17,2.29,;13.53,3.01,;13.57,4.55,;14.84,2.21,;14.95,.67,;16.44,.3,;17.17,-1.06,;18.71,-1.1,;19.53,.23,;18.78,1.58,;17.24,1.61,;16.26,2.79,;8.19,3.19,;8.24,4.73,;6.95,5.53,;5.58,4.82,;4.28,5.64,;2.92,4.9,;1.62,5.71,;2.9,6.93,;.85,7.22,;.26,4.99,;.05,3.47,;-1.46,3.21,;-2.18,4.56,;-1.12,5.68,;5.54,3.26,;6.84,2.45,)|
Brc1ccc(cc1)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)C(=O)NNC(=O)c1cccs1 |wU:12.12,wD:15.19,(-1.88,-5.71,;-.53,-4.98,;.79,-5.79,;2.15,-5.07,;2.19,-3.54,;.89,-2.71,;-.48,-3.44,;3.54,-2.82,;2.78,-1.31,;4.83,-1.61,;4.85,-3.64,;6.21,-2.91,;7.52,-3.73,;8.87,-3.01,;10.18,-3.81,;10.13,-5.35,;8.78,-6.09,;7.46,-5.27,;11.43,-6.16,;11.39,-7.7,;12.79,-5.44,;14.09,-6.25,;15.45,-5.53,;15.49,-3.99,;16.77,-6.33,;16.87,-7.87,;18.36,-8.23,;19.18,-6.93,;18.19,-5.74,)|
Brc1ccc(cc1)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)C(=O)NNC(=O)c1cc2ccccc2s1 |wU:12.12,wD:15.19,(-3.85,-.38,;-2.5,.35,;-1.18,-.47,;.17,.26,;.22,1.79,;-1.09,2.61,;-2.44,1.89,;1.57,2.51,;.82,4.03,;2.85,3.72,;2.88,1.69,;4.25,2.42,;5.55,1.6,;6.91,2.32,;8.21,1.52,;8.16,-.02,;6.81,-.75,;5.49,.06,;9.47,-.84,;9.42,-2.36,;10.82,-.1,;12.14,-.92,;13.49,-.19,;13.54,1.35,;14.8,-1,;14.91,-2.53,;16.41,-2.9,;17.13,-4.25,;18.68,-4.3,;19.49,-2.99,;18.75,-1.63,;17.21,-1.59,;16.22,-.4,)|
CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)C(=O)NNC(=O)c1cc2ccccc2s1 |wU:20.20,wD:23.27,(-2.26,2.08,;-.96,1.26,;-1.02,-.26,;.4,2,;1.71,1.18,;3.06,1.9,;4.16,.81,;5.64,1.21,;3.74,-.68,;3.11,3.43,;1.8,4.26,;.45,3.54,;1.8,5.8,;3.12,6.58,;.45,6.57,;4.46,4.15,;5.74,5.36,;3.71,5.66,;5.77,3.33,;7.14,4.06,;8.44,3.24,;9.8,3.96,;11.1,3.16,;11.05,1.62,;9.7,.89,;8.38,1.7,;12.36,.81,;12.31,-.73,;13.71,1.53,;15.03,.72,;16.38,1.45,;16.43,2.98,;17.68,.65,;17.8,-.89,;19.29,-1.26,;20.02,-2.62,;21.57,-2.67,;22.37,-1.34,;21.64,.02,;20.09,.05,;19.11,1.23,)|
O=C(NNC(=O)c1cccs1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 |wU:14.15,wD:11.11,(10.48,-7.7,;10.53,-6.16,;11.88,-5.44,;13.18,-6.25,;14.54,-5.53,;14.58,-3.99,;15.86,-6.33,;15.96,-7.87,;17.45,-8.23,;18.27,-6.93,;17.28,-5.74,;9.22,-5.35,;9.27,-3.81,;7.96,-3.01,;6.61,-3.73,;5.3,-2.91,;3.94,-3.64,;2.64,-2.82,;1.87,-1.31,;3.92,-1.61,;1.28,-3.54,;1.24,-5.07,;-.12,-5.79,;-1.44,-4.98,;-1.39,-3.44,;-.02,-2.71,;6.55,-5.27,;7.87,-6.09,)|
O=C(NNC(=O)c1cccs1)[C@H]1CC[C@H](CNS(=O)(=O)c2cccs2)CC1 |wU:14.15,wD:11.11,(10.31,-7.7,;10.36,-6.17,;11.71,-5.44,;13.02,-6.25,;14.37,-5.53,;14.42,-3.99,;15.68,-6.33,;15.8,-7.87,;17.29,-8.23,;18.1,-6.93,;17.1,-5.75,;9.05,-5.35,;9.1,-3.81,;7.8,-3.01,;6.44,-3.73,;5.13,-2.92,;3.76,-3.64,;2.46,-2.82,;3.74,-1.61,;1.7,-1.31,;1.1,-3.54,;.89,-5.06,;-.62,-5.33,;-1.34,-3.97,;-.27,-2.85,;6.37,-5.27,;7.7,-6.09,)|
Cc1ccc(cc1)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)C(=O)NNC(=O)c1cccs1 |wU:12.12,wD:15.19,(-2.11,-5.71,;-.76,-4.98,;.56,-5.79,;1.91,-5.07,;1.96,-3.54,;.65,-2.71,;-.72,-3.44,;3.31,-2.82,;2.55,-1.31,;4.59,-1.61,;4.62,-3.64,;5.98,-2.91,;7.28,-3.73,;8.64,-3.01,;9.94,-3.81,;9.9,-5.35,;8.54,-6.09,;7.23,-5.27,;11.2,-6.16,;11.15,-7.7,;12.55,-5.44,;13.86,-6.25,;15.21,-5.53,;15.26,-3.99,;16.53,-6.33,;16.63,-7.87,;18.13,-8.23,;18.94,-6.93,;17.96,-5.74,)|
Clc1ccc(cc1)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)C(=O)NNC(=O)c1cc2ccccc2s1 |wU:12.12,wD:15.19,(-3.68,.26,;-2.31,.99,;-.99,.18,;.36,.9,;.4,2.43,;-.9,3.26,;-2.25,2.53,;1.76,3.15,;1,4.66,;3.04,4.36,;3.06,2.33,;4.43,3.05,;5.74,2.24,;7.1,2.96,;8.39,2.16,;8.35,.62,;7,-.12,;5.67,.7,;9.65,-.19,;9.61,-1.73,;11.01,.53,;12.32,-.28,;13.67,.44,;13.72,1.98,;14.98,-.36,;15.09,-1.9,;16.59,-2.26,;17.31,-3.62,;18.86,-3.67,;19.67,-2.34,;18.92,-.99,;17.4,-.96,;16.4,.23,)|
O=C(NNC(=O)c1cc2ccccc2s1)[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3cccnc23)CC1 |wU:18.20,wD:15.16,(10.69,-5.05,;10.74,-3.52,;12.09,-2.79,;13.41,-3.6,;14.76,-2.88,;14.81,-1.34,;16.07,-3.69,;16.18,-5.21,;17.68,-5.59,;18.4,-6.94,;19.96,-6.99,;20.76,-5.67,;20.03,-4.32,;18.49,-4.28,;17.49,-3.1,;9.43,-2.71,;9.48,-1.17,;8.18,-.36,;6.82,-1.08,;5.51,-.26,;4.14,-.99,;2.83,-.17,;4.12,1.04,;2.08,1.35,;1.48,-.89,;1.43,-2.43,;.08,-3.15,;-1.24,-2.33,;-1.18,-.79,;-2.47,.02,;-2.43,1.54,;-1.07,2.28,;.23,1.46,;.17,-.08,;6.75,-2.62,;8.08,-3.44,)|
O=C(NNC(=O)c1cccs1)[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3cccnc23)CC1 |wU:14.15,wD:11.11,(11.06,-8.14,;11.11,-6.61,;12.46,-5.88,;13.77,-6.68,;15.12,-5.96,;15.17,-4.42,;16.44,-6.77,;16.54,-8.29,;18.04,-8.66,;18.85,-7.35,;17.87,-6.19,;9.8,-5.79,;9.85,-4.25,;8.54,-3.44,;7.19,-4.16,;5.89,-3.34,;4.52,-4.07,;3.22,-3.25,;4.5,-2.04,;2.46,-1.75,;1.87,-3.97,;1.82,-5.51,;.47,-6.24,;-.86,-5.42,;-.81,-3.88,;-2.09,-3.06,;-2.04,-1.55,;-.69,-.82,;.61,-1.63,;.56,-3.16,;7.14,-5.7,;8.45,-6.51,)|
O=C(NNC(=O)c1cc2ccccc2s1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 |wU:18.20,wD:15.16,(14.14,-4.99,;14.19,-3.46,;15.54,-2.73,;16.84,-3.53,;18.2,-2.81,;18.24,-1.27,;19.5,-3.62,;19.62,-5.15,;21.11,-5.51,;21.85,-6.88,;23.4,-6.93,;24.21,-5.6,;23.47,-4.25,;21.93,-4.21,;20.94,-3.04,;12.88,-2.64,;12.93,-1.1,;11.62,-.29,;10.27,-1.01,;8.96,-.19,;7.6,-.92,;6.3,-.1,;5.53,1.4,;7.58,1.11,;4.94,-.82,;4.9,-2.36,;3.54,-3.09,;2.22,-2.27,;2.27,-.73,;3.64,-.01,;10.21,-2.55,;11.53,-3.37,)|
CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)C(=O)NNC(=O)c1cccs1 |wU:20.20,wD:23.27,(-2.77,-5.33,;-1.46,-6.14,;-1.52,-7.67,;-.11,-5.41,;1.21,-6.23,;2.57,-5.5,;3.65,-6.58,;5.14,-6.19,;3.25,-8.08,;2.61,-3.97,;1.31,-3.15,;-.06,-3.87,;1.29,-1.61,;2.62,-.82,;-.05,-.85,;3.96,-3.25,;5.25,-2.04,;3.2,-1.73,;5.27,-4.07,;6.63,-3.34,;7.94,-4.16,;9.29,-3.44,;10.6,-4.24,;10.55,-5.78,;9.2,-6.51,;7.88,-5.7,;11.86,-6.6,;11.81,-8.12,;13.21,-5.86,;14.51,-6.68,;15.87,-5.96,;15.91,-4.42,;17.19,-6.76,;17.29,-8.29,;18.78,-8.66,;19.6,-7.35,;18.61,-6.18,)|
Cc1ccc(cc1)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)C(=O)NNC(=O)c1cc2ccccc2s1 |wU:12.12,wD:15.19,(-2.29,-.98,;-.93,-.24,;.38,-1.06,;1.73,-.33,;1.78,1.19,;.47,2.02,;-.88,1.3,;3.13,1.91,;2.38,3.42,;4.42,3.12,;4.44,1.1,;5.81,1.82,;7.11,1,;8.47,1.73,;9.77,.92,;9.72,-.61,;8.37,-1.35,;7.05,-.54,;11.03,-1.43,;10.98,-2.97,;12.38,-.71,;13.7,-1.52,;15.05,-.79,;15.1,.75,;16.36,-1.59,;16.47,-3.13,;17.96,-3.5,;18.69,-4.86,;20.24,-4.91,;21.04,-3.58,;20.31,-2.22,;18.77,-2.19,;17.78,-1.01,)|
CCc1sc(CCc2cc(OCCCc3cccnc3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C
CCc1sc(CCc2cc(OCCCc3ccccc3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C
CCCCCCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1
CCCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1
CCc1sc(CCc2cc(OCC(C)(C)C)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C
CCc1sc(CCc2cc(OCc3ccccc3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C
CCc1sc(CCc2cc(OC3CCC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C
CCC(CC)Oc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1
CCc1sc(CCc2cc(OCC3(C)CC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C
CCc1sc(CCc2cc(OCCc3ccccc3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C
CCc1sc(CCc2cc(OC3CCOCC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C
CCCCCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1
CCc1sc(CCc2cc(OC(C)C)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C
CCc1sc(CCc2cc(cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)N2CCOCC2)nc1C
CCc1sc(CCc2cc(OC)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C
CCCCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1
CCCCCCCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1
CCc1sc(CCc2cc(OC3CCCCC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C
CCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1
CCc1sc(CCc2cc(OC3CCCC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C
CCc1sc(CCc2cc(OC(C)COC)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C
CC(=O)N1CCC(CNc2nc-3c(CCCc4ccc(F)cc-34)s2)CC1
CCCCC(=O)N1CCC(CNc2nc-3c(CCOc4ccc(F)cc-34)s2)CC1
CC(C)C(=O)N1CCC(CNc2nc-3c(CCOc4ccc(C)cc-34)s2)CC1
Cc1ccc2OCCc3sc(NCC4CCN(CC4)C(=O)[C@H]4CCCO4)nc3-c2c1
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#8])=O
CCC[C@H](NC(=O)[C@H](CCCN=C(/N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(N)CCCCC(N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCN=C(/N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(/N)N)C(=O)N[C@@H](Cc5ccc(O)cc5)C(N)=O)C(=O)N[C@@H](CCCN=C(/N)N)C(=O)N[C@@H](Cc6ccc(O)cc6)C(N)=O
CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:111.116,18.18,85.89,42.44,32.35,wD:3.2,74.77,67.71,56.60,7.7,37.38,100.104,(-6.32,-13.79,;-5,-13.01,;-3.66,-13.78,;-2.33,-13,;-2.33,-11.46,;-1,-10.69,;.33,-11.45,;-1,-9.14,;-2.34,-8.38,;-2.35,-6.84,;-3.69,-6.08,;-3.69,-4.53,;-2.36,-3.76,;-2.37,-2.22,;-1.02,-4.52,;.32,-8.36,;.31,-6.82,;-1.03,-6.06,;1.65,-6.05,;2.98,-6.81,;2.98,-8.36,;1.74,-9.26,;2.23,-10.72,;3.77,-10.72,;4.8,-11.86,;6.3,-11.54,;6.78,-10.07,;5.74,-8.93,;4.24,-9.25,;1.64,-4.51,;2.97,-3.73,;4.31,-4.48,;2.96,-2.18,;1.61,-1.43,;4.28,-1.41,;4.27,.14,;5.59,.92,;5.58,2.46,;4.24,3.21,;6.91,3.24,;6.89,4.78,;8.25,2.49,;9.59,3.25,;9.59,4.79,;10.94,5.55,;12.34,4.91,;13.37,6.05,;12.61,7.39,;13.1,8.86,;12.08,10,;10.57,9.7,;10.09,8.23,;11.11,7.08,;10.91,2.47,;10.9,.93,;12.25,3.23,;13.58,2.45,;13.57,.91,;12.23,.15,;12.22,-1.39,;10.88,-2.15,;9.55,-1.37,;8.22,-2.13,;9.56,.17,;14.92,3.21,;14.93,4.75,;16.25,2.43,;17.59,3.19,;18.92,2.41,;18.91,.87,;20.24,.09,;17.6,4.73,;16.27,5.51,;18.94,5.49,;20.26,4.71,;20.25,3.17,;21.58,2.39,;21.57,.85,;22.9,.07,;22.89,-1.47,;21.55,-2.23,;24.22,-2.25,;21.61,5.47,;21.62,7.01,;22.94,4.69,;24.27,5.45,;24.29,6.99,;25.63,7.75,;25.63,9.29,;26.97,10.05,;28.3,9.28,;29.64,10.04,;28.29,7.74,;26.95,6.97,;25.6,4.67,;26.94,5.43,;25.59,3.13,;-.99,-13.76,;.34,-12.99,;-.99,-15.31,;-2.31,-16.08,;-3.65,-15.31,;-4.98,-16.09,;-6.32,-15.32,;-7.65,-16.1,;-8.99,-15.34,;-8.99,-13.79,;-10.31,-16.11,;-2.31,-17.62,;-.97,-18.38,;-3.64,-18.4,;-3.63,-19.94,;-2.3,-20.71,;-2.29,-22.24,;-.95,-23,;-.95,-24.54,;-2.28,-25.32,;-2.27,-26.86,;-3.62,-24.55,;-3.62,-23.02,;-4.96,-20.71,;-4.95,-22.25,;-6.3,-19.95,)|
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCNC2CCN(CC2)c2ccccc2OC)=NC#N)c1 |w:41.44,c:13,t:10|
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCNC2CCN(CC2)c2ccccc2O)c1 |c:13,t:10|
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCNC2CCN(CC2)c2ccccc2OC)c1 |c:13,t:10|
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCNC2CCN(CC2)c2ccccc2O)=NC#N)c1 |w:40.43,c:13,t:10|
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCNC2CCN(CC2)c2cccc(Cl)c2)c1 |c:13,t:10|
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCNC2CCN(CC2)c2ccccc2SC)=NC#N)c1 |w:41.44,c:13,t:10|
COC(=O)C1=C(C)[N-]C(C)=C(C1c1cccc(NC([N-]CCNC2CCN(CC2)c2ccccc2[N+]([O-])=O)=[NH+]C#N)c1)C(=[OH+])OC |w:38.41,c:4,9|
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCNC2CCN(CC2)c2ccccc2C)=NC#N)c1 |w:40.43,c:13,t:10|
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCNC2CCN(CC2)c2ccccc2)c1 |c:13,t:10|
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCNC2CCN(CC2)c2ccccc2C(F)(F)F)c1 |c:13,t:10|
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCNC2CCN(CC2)c2cccc(Cl)c2)=NC#N)c1 |w:40.43,c:13,t:10|
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCNC2CCN(CC2)c2ccccc2SC)c1 |c:13,t:10|
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCNC2CCN(CC2)c2ccccc2C#N)=NC#N)c1 |w:41.44,c:13,t:10|
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCNC2CCN(CC2)c2ccccc2C#N)c1 |c:13,t:10|
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCNC2CCN(CC2)c2ccccc2OC(F)(F)F)c1 |c:13,t:10|
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCNC2CCN(CC2)c2ccccc2)=NC#N)c1 |w:39.42,c:13,t:10|
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCNC2CCN(CC2)c2ccccc2OC(F)(F)F)=NC#N)c1 |w:44.47,c:13,t:10|
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCCN2CCN(CC2)c2cccc(OC)c2)=NC#N)c1 |w:41.44,c:13,t:10|
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(=O)NCCNC2CCN(CC2)c2ccccc2C)c1 |c:13,t:10|
COC(=O)C1=C(C)[N-]C(C)=C(C1c1cccc(NC(=O)NCCNC2CCN(CC2)c2ccccc2[N+]([O-])=O)c1)C(=[OH+])OC |c:4,9|
COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1cccc(NC(NCCNC2CCN(CC2)c2ccccc2C(F)(F)F)=NC#N)c1 |w:43.46,c:13,t:10|
CCC[C@H](NC(=O)[C@H](CCCN=C(/N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(/N)N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CCCN=C(/N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(/N)N)C(=O)N[C@@H](Cc6ccc(O)cc6)C(=O)N[C@@H](Cc7c[nH]c8ccccc78)C(=O)N[C@@H](CCCN=C(/N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(/N)N)C(=O)N[C@@H](Cc9ccc(O)cc9)C(N)=O
CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:99.104,3.3,18.18,73.77,66.69,41.43,wD:110.115,7.7,84.88,55.59,32.35,36.39,(.45,-20.37,;.5,-18.83,;-.81,-18.01,;-.76,-16.47,;.6,-15.75,;1.91,-16.56,;1.86,-18.1,;3.26,-15.83,;3.31,-14.29,;2.01,-13.48,;2.06,-11.94,;.74,-11.13,;.79,-9.59,;2.16,-8.86,;-.51,-8.78,;4.57,-16.65,;5.93,-15.92,;5.98,-14.38,;7.24,-16.73,;7.19,-18.27,;5.83,-19,;4.44,-18.35,;3.38,-19.47,;4.11,-20.83,;3.6,-22.29,;4.61,-23.46,;6.13,-23.19,;6.64,-21.73,;5.64,-20.55,;8.6,-16,;8.56,-14.47,;7.22,-13.75,;9.86,-13.67,;11.2,-14.39,;9.82,-12.14,;11.11,-11.35,;11.07,-9.82,;9.73,-9.1,;12.37,-9.03,;12.33,-7.5,;13.71,-9.75,;15.05,-8.98,;15.05,-7.44,;16.38,-6.67,;17.79,-7.28,;18.82,-6.12,;18.04,-4.78,;18.5,-3.31,;17.46,-2.17,;15.95,-2.49,;15.48,-3.97,;16.52,-5.12,;16.38,-9.75,;16.38,-11.29,;17.72,-8.98,;19.05,-9.75,;19.05,-11.29,;20.38,-12.06,;20.38,-13.6,;21.72,-14.37,;21.72,-15.91,;20.38,-16.68,;23.05,-16.68,;20.38,-8.98,;20.38,-7.44,;21.72,-9.75,;23.05,-8.98,;23.05,-7.44,;21.72,-6.67,;21.72,-5.13,;24.39,-9.75,;24.39,-11.29,;25.72,-8.98,;25.72,-7.44,;24.39,-6.67,;24.39,-5.13,;23.05,-4.36,;23.05,-2.82,;21.72,-2.05,;20.38,-2.82,;21.72,-.51,;27.05,-6.67,;28.39,-7.44,;27.05,-5.13,;28.39,-4.36,;29.72,-5.13,;31.05,-4.36,;31.05,-2.96,;32.27,-2.26,;33.47,-2.96,;34.81,-2.19,;33.47,-4.36,;32.26,-5.06,;28.39,-2.82,;29.72,-2.05,;27.05,-2.05,;-2.07,-15.66,;-2.02,-14.12,;-3.43,-16.39,;-3.48,-17.93,;-2.17,-18.74,;-2.22,-20.28,;-.91,-21.09,;-.96,-22.63,;.35,-23.44,;1.71,-22.72,;.3,-24.98,;-4.83,-18.66,;-6.14,-17.84,;-4.88,-20.19,;-6.24,-20.92,;-7.55,-20.11,;-8.91,-20.84,;-8.95,-22.24,;-10.19,-22.9,;-11.37,-22.16,;-12.74,-22.89,;-11.34,-20.76,;-10.1,-20.1,;-6.29,-22.46,;-7.65,-23.19,;-4.98,-23.27,)|
CCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:88.92,56.58,wD:99.103,81.85,70.74,33.34,44.45,3.3,18.18,7.14,(1.08,-23.2,;1.08,-21.66,;2.42,-20.89,;2.42,-19.35,;1.08,-18.58,;1.08,-17.04,;2.42,-16.27,;-.25,-16.27,;-1.58,-17.04,;-2.92,-16.27,;-4.25,-17.04,;-5.59,-16.27,;-6.92,-17.04,;-6.92,-18.58,;-8.25,-16.27,;-.25,-14.73,;1.08,-13.96,;2.42,-14.73,;1.08,-12.42,;2.42,-11.65,;-.25,-11.65,;-1.58,-12.42,;-1.74,-13.96,;-3.25,-14.29,;-4.03,-12.96,;-5.54,-12.63,;-6.02,-11.17,;-4.99,-10.02,;-3.48,-10.33,;-2.99,-11.79,;3.75,-18.58,;3.75,-17.04,;5.08,-19.35,;5.08,-20.89,;3.75,-21.66,;3.75,-23.2,;2.42,-23.97,;2.42,-25.51,;1.08,-26.28,;-.25,-25.51,;1.08,-27.82,;6.42,-21.66,;7.75,-20.89,;6.42,-23.2,;7.75,-23.97,;7.75,-25.51,;6.42,-26.28,;5.21,-25.59,;4,-26.3,;4.01,-27.69,;2.67,-28.46,;5.22,-28.39,;6.42,-27.68,;9.09,-23.2,;9.09,-21.66,;10.42,-23.97,;11.75,-23.2,;11.75,-21.66,;13.09,-20.89,;14.49,-21.5,;15.53,-20.35,;14.76,-19.01,;15.23,-17.54,;14.19,-16.39,;12.67,-16.71,;12.2,-18.19,;13.24,-19.34,;13.09,-23.97,;13.09,-25.51,;14.42,-23.2,;15.76,-23.97,;15.76,-25.51,;14.42,-26.28,;14.42,-27.82,;13.09,-28.59,;11.75,-27.82,;11.75,-26.28,;10.42,-28.59,;17.09,-23.2,;17.09,-21.66,;18.42,-23.97,;19.76,-23.2,;21.09,-23.97,;22.43,-23.2,;23.76,-23.97,;19.76,-21.66,;21.09,-20.89,;18.42,-20.89,;18.42,-19.35,;17.09,-18.58,;17.09,-17.04,;15.76,-16.27,;15.76,-14.73,;14.42,-13.96,;13.09,-14.73,;14.42,-12.42,;19.76,-18.58,;21.09,-19.35,;19.76,-17.04,;21.09,-16.27,;22.43,-17.04,;23.76,-16.27,;23.75,-14.86,;24.96,-14.16,;26.17,-14.86,;27.51,-14.09,;26.18,-16.26,;24.97,-16.96,;21.09,-14.73,;22.43,-13.96,;19.76,-13.96,)|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCC3c4ccccc4-c5ccccc35)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc6ccc(O)cc6)C(N)=O
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C3CCCC(N)C3)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc4ccc(O)cc4)C(N)=O |w:41,42,45,47|
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CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c3ccccc3N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc4ccc(O)cc4)C(N)=O
CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O
CN(C)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCNC[C@H]3F)c3ccccc3c2c1
CN1CCN(CC1)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCNC[C@H]3F)c3ccccc3c2c1
CN(C)CCN(C)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCNC[C@H]3F)c3ccccc3c2c1
CCN1CCCC1CNC(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCNC[C@H]3F)c3ccccc3c2c1 |w:6.7|
CN1CCN(CC1)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCN(C)C[C@H]3F)c3ccccc3c2c1
CN1CCN(CC1)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(CC3CCCNC3)c3ccccc3c2c1 |w:23.24|
CN1CCC(Cn2c3ccccc3c3cc(cc(Oc4ccc(Cl)cc4)c23)C(=O)N2CCN(C)CC2)CC1
F[C@H]1CNCC[C@H]1Cn1c2ccccc2c2cc(cc(Oc3ccc(Cl)cc3)c12)C(=O)N1CCN(CC(F)(F)F)CC1
F[C@H]1CNCC[C@H]1Cn1c2ccccc2c2cc(cc(Oc3ccc(Cl)cc3)c12)C(=O)N1CCn2ccnc2C1
CN1CCN(CC1)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(CCCN3CCCCC3)c3ccccc3c2c1
CN1CCN(CC1)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCN(C)C[C@@H]3F)c3ccccc3c2c1
CN(C)CCNC(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCNC[C@H]3F)c3ccccc3c2c1
CN(C)C1CCN(C1)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCNC[C@H]3F)c3ccccc3c2c1 |w:3.2|
CN1CCN(CC1)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(CC3=C(F)CNCC3)c3ccccc3c2c1 |c:25|
CN1CCN(CC1)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCN(C[C@@H]3F)C3CC3)c3ccccc3c2c1
F[C@H]1CNCC[C@H]1Cn1c2ccccc2c2cc(cc(Oc3ccc(Cl)cc3)c12)C(=O)N1CCc2nc[nH]c2C1
CN(C)C(=O)CN1CCC(Cn2c3ccccc3c3cc(cc(Oc4ccc(Cl)cc4)c23)C(=O)N2CCN(C)CC2)CC1
CN1CCN(CC1)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCNC[C@@H]3F)c3ccccc3c2c1
F[C@@H]1CNCC[C@H]1Cn1c2ccccc2c2cc(cc(Oc3ccc(Cl)cc3)c12)C(=O)N1CCN(CC1)C1CC1
OCCN1CCN(CC1)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCNC[C@@H]3F)c3ccccc3c2c1
CN1CCN(CC1)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(CC3CCNCC3)c3ccccc3c2c1
CN1CCCC1CCNC(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCNC[C@H]3F)c3ccccc3c2c1 |w:5.6|
OC1CCN(CC1)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCNC[C@@H]3F)c3ccccc3c2c1
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CS)C(N)=O
CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O
CC(C)C[C@H](NC(=O)[C@H](CS)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O
CSc1ncccc1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc4ccc(O)cc4)C(N)=O
FC(F)(F)c1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
O=C1OC2(CCN(CC2)c2nc3cc(ccc3[nH]2)-c2ccccc2)c2ccccc12
COC(=O)c1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
Clc1cc2nc([nH]c2cc1Cl)N1CCC2(CC1)OC(=O)c1ccccc21
Clc1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
Cc1nnc(o1)-c1ccc2[nH]c(nc2c1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:18.24,wD:15.17,(6.6,-22.73,;6.06,-24.16,;6.9,-25.45,;5.93,-26.65,;4.5,-26.1,;4.57,-24.56,;3.21,-26.94,;3.29,-28.48,;2.01,-29.31,;.64,-28.62,;-.79,-29.17,;-1.76,-27.97,;-.92,-26.69,;.57,-27.08,;1.85,-26.25,;-3.29,-28.05,;-4.13,-26.75,;-5.67,-26.83,;-6.38,-28.2,;-5.54,-29.5,;-3.99,-29.42,;-7.08,-29.58,;-8.61,-29.34,;-9.69,-30.43,;-8.85,-27.81,;-10.14,-26.97,;-10.06,-25.43,;-8.67,-24.73,;-7.38,-25.57,;-7.47,-27.12,)|
Cn1nnc(n1)-c1ccc2[nH]c(nc2c1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:18.24,wD:15.17,(29.77,-38.49,;29.22,-39.92,;30.06,-41.21,;29.1,-42.41,;27.66,-41.87,;27.74,-40.33,;26.37,-42.71,;26.46,-44.24,;25.17,-45.08,;23.81,-44.38,;22.38,-44.93,;21.41,-43.73,;22.25,-42.45,;23.73,-42.85,;25.01,-42.02,;19.87,-43.81,;19.03,-42.51,;17.49,-42.6,;16.79,-43.97,;17.63,-45.26,;19.17,-45.19,;16.08,-45.34,;14.56,-45.1,;13.47,-46.19,;14.32,-43.57,;13.03,-42.73,;13.1,-41.19,;14.49,-40.49,;15.78,-41.34,;15.7,-42.88,)|
Cc1nc(no1)-c1ccc2[nH]c(nc2c1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:18.24,wD:15.17,(20.48,-8.99,;19.93,-10.43,;18.44,-10.83,;18.37,-12.37,;19.8,-12.91,;20.77,-11.72,;17.08,-13.21,;17.16,-14.75,;15.88,-15.58,;14.52,-14.88,;13.08,-15.44,;12.11,-14.24,;12.96,-12.95,;14.44,-13.35,;15.72,-12.52,;10.58,-14.32,;9.74,-13.01,;8.2,-13.1,;7.49,-14.47,;8.33,-15.77,;9.88,-15.69,;6.79,-15.85,;5.26,-15.61,;4.18,-16.7,;5.02,-14.08,;3.73,-13.24,;3.81,-11.7,;5.2,-10.99,;6.49,-11.84,;6.41,-13.38,)|
[NH3+]C(NC(=O)CCCn1cc(nn1)-c1ccc(cc1)-c1cn(CCCC(=O)NC([NH3+])=NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:30.32,64.70|
[NH3+]C(NC(=O)CCCn1cc(COCCOCCOCCOCCOCc2cn(CCCC(=O)NC([NH3+])=NCCC[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)C(=O)NCc3ccc(O)cc3)nn2)nn1)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:73.78,37.37|
[NH3+]C(NC(=O)COCCOCCOCC(=O)NC([NH3+])=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:51.54,19.19|
[NH3+]C(NC(=O)CCCn1cc(nn1)-c1ccccc1)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:19.21|
[NH3+]C(NC(=O)c1ccc(Cn2cc(C[NH+](Cc3cn(Cc4ccc(cc4)C(=O)NC([NH3+])=NCCC[C@@H](NC(=O)C(c4ccccc4)c4ccccc4)C(=O)NCc4ccc(O)cc4)nn3)Cc3cn(Cc4ccc(cc4)C(=O)NC([NH3+])=NCCC[C@@H](NC(=O)C(c4ccccc4)c4ccccc4)C(=O)NCc4ccc(O)cc4)nn3)nn2)cc1)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:31.32,119.131,81.87|
CCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:7.7|
CCOC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:8.8|
CCCNC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:6.6|
COC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:7.7|
CC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:6.6|
CCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:8.8|
CCOC(=O)CNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:12.12|
C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cc(ccn1)C#N |r,c:3|
O=C(Nc1cnc(cn1)-c1ccccc1)N1CCC2(CC1)OC(=O)c1ccccc21
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Nc1ccc(cc1)S(=O)(=O)c1cc(N)c2ncccc2c1N
Cc1cc(c([N+]([O-])=O)c2cccnc12)S(=O)(=O)c1ccccc1
Nc1ccc(cc1)S(=O)(=O)c1cc(N)c2ncccc2c1
Nc1cc(c([N+]([O-])=O)c2cccnc12)S(=O)(=O)c1cccc(Cl)c1
Nc1ccc(cc1)S(=O)(=O)c1cc(N)c2ncccc2c1[N+]([O-])=O
COc1ccc(cc1)S(=O)(=O)c1cc(N)c2ncccc2c1[N+]([O-])=O
Nc1cc(c([N+]([O-])=O)c2cccnc12)S(=O)(=O)c1ccccc1Cl
CC(C)c1ccccc1S(=O)(=O)c1cc(N)c2ncccc2c1[N+]([O-])=O
Cc1ccc(cc1)S(=O)(=O)c1cc(N)c2ncccc2c1[N+]([O-])=O
CNc1cc(c([N+]([O-])=O)c2cccnc12)S(=O)(=O)c1ccccc1
Nc1cc(c([N+]([O-])=O)c2cccnc12)S(=O)(=O)c1ccc(Cl)cc1
Nc1ccc(cc1)S(=O)c1cc(N)c2ncccc2c1[N+]([O-])=O
Nc1cc(c([N+]([O-])=O)c2cccnc12)S(=O)(=O)c1ccccc1Br
Nc1ccc(cc1)S(=O)(=O)c1ccc2ncccc2c1[N+]([O-])=O
Nc1cc(c([N+]([O-])=O)c2cccnc12)S(=O)(=O)c1ccccc1F
Nc1ccc(Sc2cc(N)c3ncccc3c2[N+]([O-])=O)cc1
CCc1ccccc1S(=O)(=O)c1cc(N)c2ncccc2c1[N+]([O-])=O
Nc1cc(c([N+]([O-])=O)c2cccnc12)S(=O)(=O)c1ccccc1
Nc1cc(NS(=O)(=O)c2ccccc2)c([N+]([O-])=O)c2cccnc12
Cc1ccccc1S(=O)(=O)c1cc(N)c2ncccc2c1[N+]([O-])=O
CS(=O)(=O)c1cc(N)c2ncccc2c1[N+]([O-])=O
CCNc1cc(cc(CCc2nc(C)c(CC)o2)n1)N1CCOCC1
CCc1oc(CCc2cc(cc(NC)n2)N2CCOCC2)nc1C
CCCNc1cc(cc(CCc2nc(C)c(CC)o2)n1)N1CCOCC1
CCc1oc(CCc2cc(cc(NC(C)C)n2)N2CCOCC2)nc1C
CCc1oc(CCc2cc(cc(NCCOC)n2)N2CCOCC2)nc1C
CCc1oc(CCc2cc(cc(NCC#N)n2)N2CCOCC2)nc1C
CCc1oc(CCc2cc(cc(NCCC#N)n2)N2CCOCC2)nc1C
CCOC(=O)CNc1cc(cc(CCc2nc(C)c(CC)o2)n1)N1CCOCC1
CCc1oc(CCc2cc(cc(NC(C)=O)n2)N2CCOCC2)nc1C
CCc1oc(CCc2cc(cc(NCC(F)(F)F)n2)N2CCOCC2)nc1C
CCc1oc(SCc2cc(cc(NCC#N)n2)N2CCOCC2)nc1C
Cc1nc(SCc2cc(cc(NCC#N)n2)N2CCOCC2)oc1C
Cc1nc(OCc2cc(cc(NCC#N)n2)N2CCOCC2)oc1C
Cc1nc(SCc2cc(cc(NCC#N)n2)N2CCOCC2)n(C)c1C
Cc1nc(SCc2cc(cc(NCC#N)n2)N2CCOCC2)sc1C
CCc1sc(CCc2cc(cc(NC(C)c3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)N2CCOCC2)nc1C
COc1ccc(cc1)[C@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)C(F)F |r|
COc1ccc(cc1)[C@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)C(F)(F)F |r|
C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)c1ccc(F)cc1 |r|
C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)c1ccc(Cl)cc1 |r|
C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)c1ccc(C)cc1 |r|
COc1cccc(c1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1 |r|
COc1ccccc1[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1 |r|
C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)c1ccccc1 |r|
COc1ccc(CN[C@@H]2CC[C@@H](C(=O)N3CCC(CC3)(C(=O)N3CCCC3)c3ccccc3)C(C)(C)C2)cc1 |r|
COc1ccc(cc1)[C@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1 |r|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N(C)C)c2ccccc2)C(C)(C)C1 |r|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCCC2)c2ccccc2)C(C)(C)C1 |r|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1 |r|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(N2CCCCC2)c2ccccc2)C(C)(C)C1 |r|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(N2CCCNC2=O)c2ccccc2)C(C)(C)C1 |r|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(N2CCCOC2=O)c2ccccc2)C(C)(C)C1 |r|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(N2CCCCC2=O)c2ccccc2)C(C)(C)C1 |r|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)C2CCC(CC2)(N(C)C(C)=O)c2ccccc2)C(C)(C)C1 |r,wU:11.11,8.9,wD:14.15,(18.3,-47.67,;16.96,-48.43,;15.63,-47.66,;14.29,-48.42,;12.97,-47.65,;12.98,-46.1,;14.31,-45.34,;15.64,-46.11,;11.65,-45.33,;10.32,-46.09,;11.66,-43.79,;10.33,-43.01,;10.34,-41.47,;9,-40.69,;7.67,-41.46,;6.34,-40.69,;5,-41.46,;6.34,-39.15,;5.01,-38.38,;5.01,-36.83,;6.34,-36.05,;7.68,-36.83,;7.68,-38.38,;7.66,-35.25,;7.62,-33.72,;9.01,-36,;10.32,-35.2,;9.04,-37.53,;5,-35.31,;4.97,-33.76,;3.63,-33.02,;2.3,-33.8,;2.32,-35.34,;3.66,-36.1,;7.67,-43,;6.33,-42.23,;6.89,-44.32,;8.99,-43.77,)|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)C2CCC(CC2)(NC(C)=O)c2ccccc2)C(C)(C)C1 |r|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)C2CCC(CC2)(c2nnc(C)s2)c2ccccc2)C(C)(C)C1 |r,wU:11.11,8.9,wD:14.15,(48.69,-28.06,;47.35,-28.83,;46.02,-28.05,;44.68,-28.82,;43.35,-28.04,;43.37,-26.5,;44.69,-25.74,;46.02,-26.51,;42.04,-25.72,;40.71,-26.49,;42.05,-24.18,;40.72,-23.41,;40.73,-21.86,;39.39,-21.08,;38.06,-21.86,;36.73,-21.09,;35.39,-21.85,;36.73,-19.55,;35.4,-18.78,;35.4,-17.23,;36.73,-16.45,;38.07,-17.23,;38.07,-18.78,;38.05,-15.65,;38.18,-14.12,;39.67,-13.77,;40.47,-15.08,;42.01,-15.21,;39.47,-16.25,;35.38,-15.7,;35.36,-14.16,;34.02,-13.42,;32.69,-14.2,;32.71,-15.74,;34.05,-16.5,;38.06,-23.4,;36.72,-22.62,;37.28,-24.72,;39.38,-24.17,)|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2nnc(C)o2)c2ccccc2)C(C)(C)C1 |r|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2nnco2)c2ccccc2)C(C)(C)C1 |r|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2ccc(Cl)nc2)C(C)(C)C1 |r|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2ccc(OC)nc2)C(C)(C)C1 |r|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2cccnc2)C(C)(C)C1 |r|
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2ccccc2)C(C)(C)C1 |r|
Cc1nc(SCc2cc(cc(NCc3ccc(F)nc3)n2)N2CCOCC2)oc1C
Cc1nc(SCc2cc(cc(NCc3cccnc3F)n2)N2CCOCC2)oc1C
Cc1nc(SCc2cc(cc(NCc3ccnc(F)c3)n2)N2CCOCC2)oc1C
Cc1nc(SCc2cc(cc(NCc3cccc(F)n3)n2)N2CCOCC2)oc1C
COCc1cccc(CNc2cc(cc(CSc3nc(C)c(C)o3)n2)N2CCOCC2)n1
Cc1nc(SCc2cc(cc(NCc3cccc(COCCF)n3)n2)N2CCOCC2)oc1C
Cc1nc(SCc2cc(cc(NCc3cccc(CF)n3)n2)N2CCOCC2)oc1C
Cc1nc(SCc2cc(cc(NCc3cccc(OCCF)n3)n2)N2CCOCC2)oc1C
Cc1nc(SCc2cc(cc(NCc3cccc(C)n3)n2)N2CCOCC2)oc1C
Cc1nc(SCc2cc(cc(NCc3cccc(F)n3)n2)N2CCSCC2)oc1C
Cc1nc(SCc2cc(cc(NCc3cccc(C)n3)n2)N2CCSCC2)oc1C
Cc1nc(SCc2cc(cc(NCc3cccc(F)n3)n2)N2CCS(=O)(=O)CC2)oc1C
Cc1nc(SCc2cc(cc(NCc3cccc(C)n3)n2)N2CCS(=O)(=O)CC2)oc1C
CCc1oc(SCc2cc(cc(NCc3cccc(C)n3)n2)N2CCOCC2)nc1C
Cc1cccc(CNc2cc(cc(CSc3nc4CCCCc4o3)n2)N2CCOCC2)n1
Cc1nc(SCc2cc(cc(NCc3cccc(C)n3)n2)N2CCOCC2)sc1C
Cc1nc(SCc2cc(cc(NCc3cccc(C)n3)n2)N2CCOCC2)sc1CF
Cc1sc(SCc2cc(cc(NCc3cccc(C)n3)n2)N2CCOCC2)nc1CF
CCc1sc(SCc2cc(cc(NCc3cccc(C)n3)n2)N2CCOCC2)nc1CF
Fc1ccccc1-c1cnc(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)c2cnccc32)nc1 |r,wU:17.21,wD:14.14,(31.68,5.18,;31.69,3.64,;33.02,2.88,;33.03,1.33,;31.69,.56,;30.36,1.33,;30.36,2.87,;29.03,3.64,;27.69,2.87,;26.36,3.64,;26.37,5.18,;25.04,5.95,;23.7,5.18,;22.37,5.95,;23.7,3.64,;22.37,2.86,;22.37,1.32,;23.7,.56,;25.03,1.32,;25.03,2.86,;24.62,-.69,;23.72,-1.95,;24.2,-3.41,;22.24,-1.48,;20.9,-2.25,;19.56,-1.48,;19.57,.06,;20.9,.83,;22.23,.07,;27.69,5.95,;29.02,5.19,)|
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#8])=O |r|
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#8])=O |r|
[H][C@]1(CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(N)=O |r,c:65,158,171,211,225,t:60,62,153,155,166,168,209,220,222|
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#8])=O |r|
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](-[#8])=O)-[#6]-[#6]-[#7](-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](-[#8])=O)-[#6]-[#6]-[#7](-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](-[#8])=O)-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#8])=O |r|
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#8])=O |r|
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#8])=O |r|
C(Cc1ccc(cc1)N=C1NCCS1)Nc1nc2ccccc2s1 |w:8.8|
Cc1cccc2sc(NCCc3ccc(cc3)N=C3NCCS3)nc12 |w:17.17|
COc1cccc2sc(NCCc3ccc(cc3)N=C3NCCS3)nc12 |w:18.18|
Cc1ccc2nc(NCCc3ccc(cc3)N=C3NCCS3)sc2c1 |w:16.16|
COc1ccc2nc(NCCc3ccc(cc3)N=C3NCCS3)sc2c1 |w:17.17|
Fc1ccc2nc(NCCc3ccc(cc3)N=C3NCCS3)sc2c1 |w:16.16|
Clc1ccc2nc(NCCc3ccc(cc3)N=C3NCCS3)sc2c1 |w:16.16|
[O-][N+](=O)c1ccc2nc(NCCc3ccc(cc3)N=C3NCCS3)sc2c1 |w:18.18|
CS(=O)(=O)c1ccc2nc(NCCc3ccc(cc3)N=C3NCCS3)sc2c1 |w:19.19|
Clc1cc2nc(NCCc3ccc(cc3)N=C3NCCS3)sc2cc1Cl |w:15.15|
C(Cc1ccc(cc1)N=C1NCCCS1)Nc1nc2ccccc2s1 |w:8.8|
Cc1ccc2nc(NCCc3ccc(cc3)N=C3NCCCS3)sc2c1 |w:16.16|
COc1ccc2nc(NCCc3ccc(cc3)N=C3NCCCS3)sc2c1 |w:17.17|
Fc1ccc2nc(NCCc3ccc(cc3)N=C3NCCCS3)sc2c1 |w:16.16|
Clc1ccc2nc(NCCc3ccc(cc3)N=C3NCCCS3)sc2c1 |w:16.16|
[O-][N+](=O)c1ccc2nc(NCCc3ccc(cc3)N=C3NCCCS3)sc2c1 |w:18.18|
CS(=O)(=O)c1ccc2nc(NCCc3ccc(cc3)N=C3NCCCS3)sc2c1 |w:19.19|
Clc1cc2nc(NCCc3ccc(cc3)N=C3NCCCS3)sc2cc1Cl |w:15.15|
C[C@@H]1CSC(N1)=Nc1ccc(CCNc2nc3ccccc3s2)cc1 |r,w:6.7|
CC[C@@H]1CSC(N1)=Nc1ccc(CCNc2nc3ccccc3s2)cc1 |r,w:7.8|
CCCC1CSC(N1)=Nc1ccc(CCNc2nc3ccccc3s2)cc1 |w:8.9|
CCCCC1CSC(N1)=Nc1ccc(CCNc2nc3ccccc3s2)cc1 |w:9.10|
CC(C)C[C@@H]1CSC(N1)=Nc1ccc(CCNc2nc3ccccc3s2)cc1 |r,w:9.10|
C(Cc1ccc(cc1)N=C1N[C@@H](CS1)c1ccccc1)Nc1nc2ccccc2s1 |r,w:8.8|
COC1CNC(S1)=Nc1ccc(CCNc2nc3ccccc3s2)cc1 |w:7.8|
CC1CCSC(N1)=Nc1ccc(CCNc2nc3ccccc3s2)cc1 |w:7.8|
CC(C)C1CCSC(N1)=Nc1ccc(CCNc2nc3ccccc3s2)cc1 |w:9.10|
CC(C)CC1CCSC(N1)=Nc1ccc(CCNc2nc3ccccc3s2)cc1 |w:10.11|
C(Cc1ccc(cc1)N=C1NC(CCc2ccccc2)CCS1)Nc1nc2ccccc2s1 |w:8.8|
C(Cc1ccc(cc1)N=C1NC(CCS1)C1CCCCC1)Nc1nc2ccccc2s1 |w:8.8|
C(Cc1ccc(cc1)N=C1NC(CCS1)c1ccccc1)Nc1nc2ccccc2s1 |w:8.8|
COc1ccc(cc1)C1CCSC(N1)=Nc1ccc(CCNc2nc3ccccc3s2)cc1 |w:14.16|
Clc1ccc(cc1)C1CCSC(N1)=Nc1ccc(CCNc2nc3ccccc3s2)cc1 |w:13.15|
Clc1cccc(c1)C1CCSC(N1)=Nc1ccc(CCNc2nc3ccccc3s2)cc1 |w:13.15|
Clc1ccccc1C1CCSC(N1)=Nc1ccc(CCNc2nc3ccccc3s2)cc1 |w:13.15|
C(Cc1ccc(cc1)N=C1N[C@@H](CCS1)c1ccccc1)Nc1nc2ccccc2s1 |r,w:8.8|
C(Cc1ccc(cc1)N=C1N[C@H](CCS1)c1ccccc1)Nc1nc2ccccc2s1 |r,w:8.8|
CO\C(O)=C1\C(C(C(=O)OC)=C(C)N=C1C)c1cccc(N\C(NC#N)=N\CCCN2CCC(CC2)C(C)(C)C)c1 |c:13,t:10|
CC(=NOC(=O)Nc1ccccc1)c1cccc(c1)-c1cccs1 |w:2.2|
CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:29.29|
CCCCCCCCCCCCCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:20.20|
NC(NC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:24.28|
NC(NC(=O)COCCOCCOCC(=O)NCCNC(=O)C1=C2C=Cc3cccc4CC=C(C=C1)C2c34)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:38.42,c:22,24,34,t:32|
NC(NC(=O)CCCCCCC(=O)NCCC(=O)OCc1ccccc1)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:26.27|
COC(=O)CCCCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:15.15|
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:30.30|
COC(=O)CCNC(=O)CCCCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:20.20|
NC(NC(=O)CCCn1cc(CO)nn1)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:15.16|
NCc1cn(CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1 |r,w:13.13|
NC(NC(=O)CCC(=O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:21.22|
NC(NC(=O)CCCCCCC(=O)NCCC(O)=O)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:19.19|
NC(=O)CCNC(=O)CCCCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:19.19|
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6](=[#7])-[#7]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(-[#8])cc1 |r|
C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
COc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(C)nc23)c(Cl)c1 |(28.08,-21.34,;29.62,-21.32,;30.38,-19.98,;29.6,-18.65,;30.35,-17.31,;29.57,-15.98,;31.89,-17.31,;32.64,-15.97,;31.74,-14.71,;30.2,-14.71,;32.65,-13.46,;34.12,-13.94,;35.45,-13.17,;35.44,-11.63,;36.78,-10.86,;38.11,-11.63,;39.44,-10.86,;40.77,-11.64,;40.76,-13.17,;42.08,-13.95,;43.42,-13.2,;43.43,-11.66,;42.11,-10.87,;36.78,-13.94,;36.79,-15.49,;38.12,-16.26,;35.45,-16.26,;34.12,-15.49,;32.68,-18.62,;34.22,-18.59,;31.93,-19.96,)|
COc1cc(Cl)c(-c2c(C)nn3c(NCCNCC(F)F)cc(C)nc23)c(Cl)c1 |(41.2,-48.94,;42.74,-48.92,;43.49,-47.58,;42.71,-46.25,;43.46,-44.91,;42.69,-43.58,;45,-44.9,;45.76,-43.56,;44.85,-42.31,;43.31,-42.31,;45.76,-41.06,;47.23,-41.54,;48.56,-40.77,;48.56,-39.23,;49.89,-38.46,;51.22,-39.22,;52.56,-38.45,;53.88,-39.23,;55.22,-38.47,;55.23,-36.93,;56.55,-39.24,;49.9,-41.53,;49.9,-43.08,;51.24,-43.85,;48.56,-43.86,;47.23,-43.09,;45.79,-46.21,;47.33,-46.19,;45.04,-47.56,)|
COc1cc(Cl)c(-c2c(C)nn3c(NCCNCCF)cc(C)nc23)c(Cl)c1 |(22.02,-50.44,;23.56,-50.42,;24.32,-49.08,;23.54,-47.75,;24.29,-46.41,;23.51,-45.08,;25.83,-46.4,;26.59,-45.06,;25.68,-43.81,;24.14,-43.81,;26.59,-42.56,;28.06,-43.04,;29.39,-42.27,;29.38,-40.73,;30.72,-39.96,;32.05,-40.73,;33.38,-39.95,;34.71,-40.73,;36.05,-39.97,;36.06,-38.43,;30.72,-43.04,;30.73,-44.59,;32.06,-45.35,;29.39,-45.36,;28.06,-44.59,;26.62,-47.72,;28.16,-47.69,;25.87,-49.06,)|
COc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCCCC4F)cc(C)nc23)c(Cl)c1 |(6.22,-49.39,;7.76,-49.38,;8.52,-48.03,;7.73,-46.71,;8.49,-45.37,;7.71,-44.04,;10.02,-45.36,;10.78,-44.02,;9.87,-42.77,;8.33,-42.76,;10.78,-41.52,;12.26,-42,;13.58,-41.23,;13.58,-39.69,;14.91,-38.92,;16.25,-39.68,;17.58,-38.91,;18.91,-39.69,;18.89,-41.23,;20.21,-42.01,;21.55,-41.25,;21.57,-39.71,;20.24,-38.93,;20.25,-37.39,;14.92,-41.99,;14.92,-43.54,;16.26,-44.31,;13.59,-44.32,;12.25,-43.54,;10.81,-46.67,;12.35,-46.65,;10.06,-48.01,)|
COc1cc(Cl)c(-c2c(C)nn3c(NCC(C)(C)NC4CCOCC4)cc(C)nc23)c(Cl)c1 |(-12.37,-47.14,;-10.82,-47.12,;-10.07,-45.78,;-10.85,-44.45,;-10.09,-43.11,;-10.87,-41.78,;-8.56,-43.11,;-7.8,-41.76,;-8.71,-40.51,;-10.25,-40.51,;-7.8,-39.26,;-6.33,-39.74,;-5,-38.97,;-5,-37.43,;-3.67,-36.66,;-2.33,-37.43,;-3.11,-38.76,;-1.57,-38.76,;-1,-36.66,;.33,-37.43,;.31,-38.97,;1.63,-39.75,;2.97,-39,;2.99,-37.46,;1.66,-36.67,;-3.66,-39.74,;-3.66,-41.29,;-2.32,-42.06,;-4.99,-42.06,;-6.33,-41.29,;-7.77,-44.42,;-6.23,-44.39,;-8.52,-45.76,)|
COc1cc(Cl)c(-c2c(C)nn3c(NCC(C)NC4CCOCC4)cc(C)nc23)c(Cl)c1 |(34.35,-35.54,;35.89,-35.52,;36.65,-34.18,;35.86,-32.85,;36.62,-31.51,;35.84,-30.19,;38.16,-31.51,;38.91,-30.17,;38.01,-28.91,;36.47,-28.91,;38.92,-27.66,;40.39,-28.14,;41.72,-27.38,;41.71,-25.84,;43.04,-25.06,;44.38,-25.83,;44.38,-27.37,;45.71,-25.06,;47.04,-25.84,;47.02,-27.38,;48.34,-28.16,;49.69,-27.4,;49.7,-25.86,;48.37,-25.07,;43.05,-28.14,;43.06,-29.69,;44.39,-30.46,;41.72,-30.46,;40.39,-29.69,;38.94,-32.82,;40.48,-32.8,;38.2,-34.16,)|
CCCOc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(C)nc23)c(Cl)c1 |(5.54,-21.28,;7.08,-21.27,;7.87,-22.59,;9.41,-22.57,;10.16,-21.23,;9.38,-19.9,;10.14,-18.56,;9.36,-17.24,;11.67,-18.56,;12.43,-17.22,;11.52,-15.96,;9.98,-15.96,;12.43,-14.71,;13.9,-15.19,;15.23,-14.43,;15.23,-12.89,;16.56,-12.11,;17.9,-12.88,;19.23,-12.11,;20.56,-12.89,;20.54,-14.43,;21.86,-15.21,;23.2,-14.45,;23.22,-12.91,;21.89,-12.12,;16.57,-15.19,;16.57,-16.74,;17.91,-17.51,;15.24,-17.51,;13.9,-16.74,;12.46,-19.87,;14,-19.85,;11.71,-21.21,)|
CCOc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(C)nc23)c(Cl)c1 |(-10.58,-34.36,;-9.79,-35.68,;-8.25,-35.66,;-7.5,-34.32,;-8.28,-32.99,;-7.53,-31.65,;-8.3,-30.33,;-5.99,-31.65,;-5.23,-30.31,;-6.14,-29.05,;-7.68,-29.05,;-5.23,-27.8,;-3.76,-28.28,;-2.43,-27.52,;-2.43,-25.98,;-1.1,-25.2,;.23,-25.97,;1.57,-25.2,;2.89,-25.98,;2.88,-27.52,;4.2,-28.3,;5.54,-27.54,;5.56,-26,;4.23,-25.21,;-1.1,-28.28,;-1.09,-29.83,;.25,-30.6,;-2.43,-30.6,;-3.76,-29.83,;-5.2,-32.96,;-3.66,-32.94,;-5.95,-34.3,)|
Cc1nn2c(NCCNC3CCOCC3)cc(C)nc2c1-c1c(Cl)cccc1Cl |(6.47,-15.43,;8.01,-15.43,;8.93,-14.18,;10.4,-14.66,;11.73,-13.89,;11.72,-12.35,;13.05,-11.58,;14.39,-12.34,;15.72,-11.57,;17.05,-12.35,;17.03,-13.89,;18.35,-14.67,;19.7,-13.92,;19.71,-12.37,;18.38,-11.59,;13.06,-14.65,;13.07,-16.2,;14.4,-16.97,;11.73,-16.98,;10.39,-16.21,;8.92,-16.68,;8.16,-18.02,;6.63,-18.03,;5.85,-16.7,;5.87,-19.37,;6.66,-20.7,;8.2,-20.68,;8.95,-19.33,;10.49,-19.31,)|
Cc1nn2c(NCCNC3CCCC3)cc(C)nc2c1-c1c(Cl)cccc1Cl |(-9.32,-14.84,;-7.78,-14.84,;-6.87,-13.59,;-5.4,-14.07,;-4.07,-13.31,;-4.08,-11.77,;-2.74,-10.99,;-1.41,-11.76,;-.08,-10.99,;1.12,-11.96,;1.04,-13.49,;2.48,-14.04,;3.45,-12.84,;2.61,-11.55,;-2.74,-14.07,;-2.73,-15.62,;-1.4,-16.39,;-4.07,-16.39,;-5.4,-15.62,;-6.87,-16.1,;-7.63,-17.44,;-9.17,-17.44,;-9.95,-16.12,;-9.92,-18.78,;-9.14,-20.11,;-7.59,-20.09,;-6.84,-18.75,;-5.3,-18.73,)|
Cc1nn2c(NCCNC3CCCC3)cc(C)nc2c1-c1c(C)cc(C)cc1C |(25.6,-3.01,;27.14,-3.01,;28.05,-1.76,;29.52,-2.24,;30.85,-1.48,;30.85,.06,;32.18,.84,;33.51,.07,;34.85,.84,;36.1,-.05,;36.11,-1.58,;37.58,-2.05,;38.47,-.79,;37.56,.45,;32.19,-2.24,;32.19,-3.79,;33.53,-4.56,;30.85,-4.56,;29.52,-3.79,;28.05,-4.27,;27.29,-5.61,;25.75,-5.61,;24.98,-4.29,;25,-6.95,;25.78,-8.28,;25.03,-9.62,;27.33,-8.26,;28.08,-6.92,;29.62,-6.9,)|
COc1ccc(CCNCCNc2cc(C)nc3c(c(C)nn23)-c2c(C)cc(C)cc2C)cc1 |(23.86,-.34,;22.53,-1.12,;21.19,-.35,;19.86,-1.13,;18.52,-.36,;18.53,1.18,;17.19,1.94,;15.86,1.17,;14.52,1.94,;13.19,1.17,;11.86,1.93,;10.52,1.16,;10.53,-.38,;11.86,-1.14,;11.87,-2.69,;13.2,-3.46,;10.53,-3.47,;9.2,-2.7,;7.72,-3.17,;6.82,-1.92,;5.28,-1.92,;7.73,-.67,;9.2,-1.15,;6.97,-4.51,;5.43,-4.52,;4.65,-3.19,;4.68,-5.86,;5.46,-7.19,;4.7,-8.53,;7.01,-7.17,;7.76,-5.82,;9.3,-5.8,;19.85,1.95,;21.18,1.19,)|
Cc1nn2c(NCCN)cc(C)nc2c1-c1c(C)cc(C)cc1C |(-6.18,-.74,;-4.64,-.74,;-3.73,.51,;-2.26,.03,;-.93,.79,;-.93,2.33,;.4,3.11,;1.73,2.34,;3.07,3.11,;.41,.03,;.41,-1.52,;1.75,-2.29,;-.93,-2.29,;-2.26,-1.52,;-3.73,-2,;-4.49,-3.34,;-6.03,-3.34,;-6.8,-2.01,;-6.78,-4.68,;-6,-6.01,;-6.75,-7.35,;-4.45,-5.99,;-3.7,-4.65,;-2.16,-4.63,)|
Cc1cc(C=Cc2cc3CCCN4CCCc(c2)c34)cc(C)[n+]1CCCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:4.3,33.37|
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(-[#6]-[#7]-[#6](-[#7])=O)cc1 |r|
NCCCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:11.11|
NCCCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:11.11|
NCCCCNC(=O)N(CCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)C(N)=N |r|
Cc1cc(C=Cc2cc3CCCN4CCCc(c2)c34)cc(C)[n+]1CCCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:33.37,4.3|
Cc1cc(C=Cc2cc3CCCN4CCCc(c2)c34)cc(C)[n+]1CCNC(=O)CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:4.3,36.40|
Cc1cc(C=Cc2cc3CCCN4CCCc(c2)c34)cc(C)[n+]1CCCNC(=O)CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:37.41,4.3|
Cc1cc(C=Cc2cc3CCCN4CCCc(c2)c34)cc(C)[n+]1CCOCCOCCOCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:39.43,4.3|
Cc1ccc(C=Cc2cc3CCCN4CCCc(c2)c34)c(C)[n+]1CCOCCOCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:35.39,5.4|
Cc1cc(C=Cc2cc3CCCN4CCCc(c2)c34)cc(C)[n+]1CCCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:33.37,4.3|
CN(C)c1ccc(\C=C\C=Cc2cc(C)[n+](CCCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)C(=O)NCc3ccc(O)cc3)c(C)c2)cc1 |r,w:26.26,10.10|
CN(C)c1ccc(\C=C\C=Cc2cc(C)[n+](CCOCCOCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)C(=O)NCc3ccc(O)cc3)c(C)c2)cc1 |r,w:10.10,28.28|
CN(C)c1ccc(\C=C\C=Cc2cc(C)[n+](CCCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)C(=O)NCc3ccc(O)cc3)c(C)c2)cc1 |r,w:26.26,10.10|
CN1\C(=C/C=Cc2cc(C)[n+](CCOCCOCCNC(=O)CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)C(=O)NCc3ccc(O)cc3)c(C)c2)C(C)(C)c2c1ccc1ccccc21 |r,w:5.5,30.30|
CN1\C(=C/C=Cc2cc(C)[n+](CCOCCOCCNC(=O)CCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)C(=O)NCc3ccc(O)cc3)c(C)c2)C(C)(C)c2c1ccc1ccccc21 |r,w:31.31,5.5|
CN1\C(=C\C=Cc2cc(C)[n+](CCOCCOCCNC(=O)CCCCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)C(=O)NCc3ccc(O)cc3)c(C)c2)C(C)(C)c2c1ccc1ccccc21 |r,w:33.33,5.5|
CN(C)c1ccc(C=CC=Cc2sc3ccccc3[n+]2CCCC(=O)NCCNC(=O)CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 |r,w:8.8,39.41,10.10|
CN(C)c1ccc(C=CC=Cc2sc3ccccc3[n+]2CCCC(=O)NCCCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)cc1 |r,w:8.8,36.38,10.10|
Cc1cc(C=Cc2cc3CCCN4CCCc(c2)c34)cc(C)[n+]1CCN(CCNC(=O)CCCCC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:86.93,4.3|
Cc1cc(C=Cc2cc3CCCN4CCCc(c2)c34)cc(C)[n+]1CCN(CCNC(=O)CCCCCCC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:4.3,90.97|
Cc1cc(C=Cc2cc3CCCN4CCCc(c2)c34)cc(C)[n+]1CCN(CCNC(=O)CCCNC(=O)CCCC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCNC(=O)CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:96.103,4.3|
C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1ccc(=O)n(c1)C(F)F |r,c:3|
COc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1OC
COc1ccc(C)cc1S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1 |r,wU:14.14,wD:17.21,(38.95,-3.6,;37.61,-2.84,;36.28,-3.62,;36.3,-5.16,;34.96,-5.95,;33.62,-5.18,;32.29,-5.96,;33.61,-3.64,;34.95,-2.87,;34.94,-1.33,;36.48,-1.32,;35.7,.01,;33.6,-.57,;33.59,.98,;32.25,1.74,;30.92,.96,;29.58,1.72,;29.58,3.26,;30.9,4.05,;32.24,3.28,;28.23,4.02,;26.91,3.24,;25.54,3.83,;24.55,2.71,;25.3,1.43,;24.71,-.06,;23.22,-.47,;21.99,.44,;21.93,2.03,;20.53,2.52,;20.26,3.98,;21.39,4.95,;22.79,4.45,;23.06,3,;26.76,1.75,)|
O=S(=O)(NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1)c1cccs1 |r,wU:5.4,wD:8.11,(42.05,-18.71,;40.51,-18.69,;41.3,-17.37,;39.18,-17.9,;39.2,-16.36,;37.88,-15.57,;36.53,-16.33,;35.21,-15.54,;35.23,-14,;36.57,-13.24,;37.9,-14.03,;33.9,-13.22,;32.56,-13.98,;31.2,-13.36,;30.19,-14.46,;30.93,-15.76,;30.31,-17.24,;28.81,-17.62,;27.6,-16.69,;27.56,-15.09,;26.18,-14.58,;25.93,-13.12,;27.07,-12.17,;28.47,-12.69,;28.71,-14.15,;32.39,-15.46,;40.49,-20.23,;41.73,-21.16,;41.24,-22.62,;39.69,-22.6,;39.24,-21.12,)|
CS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1 |r,wU:6.5,wD:9.12,(30.35,-14.16,;30.37,-12.61,;31.92,-12.63,;31.16,-11.28,;29.04,-11.82,;29.06,-10.28,;27.73,-9.49,;26.38,-10.24,;25.06,-9.46,;25.08,-7.91,;26.42,-7.14,;27.75,-7.94,;23.75,-7.13,;22.4,-7.89,;21.04,-7.26,;20.02,-8.37,;20.76,-9.68,;20.14,-11.16,;18.63,-11.54,;17.42,-10.61,;17.38,-9,;15.99,-8.49,;15.74,-7.02,;16.89,-6.07,;18.29,-6.59,;18.53,-8.06,;22.23,-9.38,)|
CCS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc-2c(CCSc3ccccc-23)s1 |r,wU:7.6,wD:10.13,(6.6,-30,;5.27,-29.21,;5.29,-27.67,;6.84,-27.69,;6.08,-26.34,;3.97,-26.88,;3.99,-25.34,;2.66,-24.55,;1.31,-25.3,;-.01,-24.52,;.01,-22.97,;1.35,-22.21,;2.68,-23,;-1.32,-22.19,;-2.66,-22.95,;-4.03,-22.33,;-5.04,-23.43,;-4.3,-24.74,;-4.92,-26.21,;-6.42,-26.6,;-7.64,-25.66,;-7.67,-24.07,;-9.06,-23.55,;-9.31,-22.09,;-8.16,-21.14,;-6.77,-21.66,;-6.52,-23.12,;-2.83,-24.44,)|
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CN(C1CCN(CC1)C(C)=O)C(=O)N[C@H]1CC[C@@H](CC1)c1cc(F)cc(F)c1 |wU:14.14,wD:17.21,(3.32,-35.53,;3.32,-37.07,;4.66,-37.84,;4.65,-39.37,;5.97,-40.14,;7.31,-39.38,;7.31,-37.84,;5.98,-37.06,;8.64,-40.15,;9.98,-39.39,;8.64,-41.69,;1.99,-37.84,;1.99,-39.38,;.66,-37.07,;-.68,-37.84,;-.67,-39.38,;-2.01,-40.14,;-3.35,-39.37,;-3.34,-37.83,;-2.01,-37.06,;-4.68,-40.13,;-4.69,-41.67,;-6.02,-42.43,;-6.02,-43.97,;-7.36,-41.66,;-7.35,-40.12,;-8.68,-39.34,;-6.01,-39.35,)|
CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c2ccccc12 |r,wU:27.28,wD:29.33,(8.76,1.15,;7.67,.06,;6.19,.46,;7.28,1.55,;8.07,-1.42,;6.98,-2.51,;6.59,-4,;8.07,-3.6,;5.5,-2.11,;5.1,-.63,;3.61,-.23,;2.52,-1.32,;1.03,-.92,;.56,.55,;-.98,.55,;-1.46,-.92,;-.21,-1.82,;-.21,-3.36,;-1.55,-4.13,;-2.88,-3.36,;-4.21,-4.13,;-4.21,-5.67,;-2.88,-6.44,;-1.55,-5.67,;-2.07,1.64,;-1.67,3.12,;-3.56,1.24,;-4.65,2.33,;-6.19,2.33,;-6.19,3.87,;-4.65,3.87,;-7.28,4.96,;-6.88,6.44,;-8.76,4.56,;2.92,-2.8,;1.83,-3.89,;2.23,-5.38,;3.72,-5.78,;4.81,-4.69,;4.41,-3.2,)|
Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
CN([C@H]1CC[C@]2(CC1)OC(=O)c1ccncc21)C(=O)Nc1cnc(cn1)-c1ccccc1 |r,wU:2.1,5.8,(11.2,-3.59,;11.2,-5.13,;9.87,-5.9,;9.87,-7.44,;8.53,-8.21,;7.19,-7.43,;7.2,-5.9,;8.53,-5.13,;7.27,-8.97,;5.83,-9.52,;5.42,-11.01,;4.86,-8.32,;3.32,-8.23,;2.62,-6.86,;3.47,-5.56,;5.01,-5.65,;5.7,-7.03,;12.53,-5.9,;12.53,-7.44,;13.86,-5.13,;15.2,-5.9,;16.52,-5.13,;17.85,-5.89,;17.86,-7.44,;16.52,-8.21,;15.19,-7.44,;19.19,-8.21,;19.19,-9.75,;20.52,-10.51,;21.85,-9.74,;21.84,-8.2,;20.51,-7.44,)|
CCOc1cccc(c1)[C@]1([C@H]2C[C@H](C)C[C@@H]12)N1CCN(CC1)c1ccccc1 |r|
C[C@H]1C[C@H]2[C@@H](C1)[C@@]2(N1CCN(CC1)c1ccccc1)c1ccccc1 |r|
COc1ccccc1[C@]1([C@H]2C[C@H](C)C[C@@H]12)N1CCN(CC1)c1ccccc1 |r|
COc1cccc(c1)[C@]1([C@H]2C[C@H](C)C[C@@H]12)N1CCN(CC1)c1ccccc1 |r|
C[C@H]1C[C@H]2[C@@H](C1)[C@@]2(N1CCN(CC1)c1ccccc1)c1cccc(N)c1 |r|
C[C@H]1C[C@H]2[C@@H](C1)[C@@]2(N1CCN(CC1)c1ccccc1)c1cccc(Cl)c1 |r|
C[C@H]1C[C@H]2[C@@H](C1)[C@@]2(N1CCN(CC1)c1ccccc1)c1ccc(C)cc1 |r|
C[C@H]1C[C@H]2[C@@H](C1)[C@@]2(N1CCN(CC1)c1ccccc1)c1ccc(O)cc1 |r|
COc1ccc(cc1)[C@]1([C@H]2C[C@H](C)C[C@@H]12)N1CCN(CC1)c1ccccc1 |r|
C[C@H]1C[C@H]2[C@@H](C1)[C@@]2(N1CCN(CC1)c1ccccc1)c1ccc(F)cc1 |r|
CCOc1cccc(c1)[C@]1(CC[C@H](C)CC1)N1CCN(CC1)c1ccccc1 |r,wU:9.17,12.13,(15.93,-8.14,;17.42,-8.55,;18.51,-7.46,;18.12,-5.97,;16.61,-5.56,;16.22,-4.06,;17.33,-2.97,;18.82,-3.39,;19.22,-4.88,;19.93,-2.3,;21.25,-1.54,;21.25,,;19.93,.78,;19.93,2.32,;18.6,,;18.6,-1.54,;21.01,-3.39,;20.6,-4.87,;21.68,-5.96,;23.16,-5.57,;23.57,-4.09,;22.49,-3,;23.92,-6.9,;23.15,-8.22,;23.91,-9.54,;25.44,-9.55,;26.21,-8.22,;25.44,-6.9,)|
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#6]-[#6]-c1ccc(-[#8])cc1 |r|
N[C@H]1CCCC[C@@H]1NC(=O)c1c2N[C@@H]3CCCC[C@H]3Nc2c2C(=O)c3ccccc3-c3ncnc1c23
CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
CC(C)(C)C(=O)Nc1ccc(N2CCN(CC2)C(=O)c2ccccc2)c(Cl)c1
COc1cccnc1C(=O)N1CCN(CC1)c1ccc(NC(=O)C(C)(C)c2ccccc2)cc1Cl
FC(F)(F)c1ccc(Nc2nc(cs2)-c2ccccn2)cc1
CC(C)(C(=O)Nc1ccc(N2CCC3(CCN(CC4CC4)C3)CC2)c(Cl)c1)c1nccc(n1)C(F)(F)F
CN1CCN(CC1)C1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2C[C@@H]1CCN(C)C[C@@H]1F
Clc1ccc(O[C@@H]2CCC(=O)c3c2n(CCCN2CCCCC2)c2ccccc32)cc1
Clc1ccc(O[C@@H]2CC(N3CCCCC3)C(=O)c3c2n(CCCN2CCCCC2)c2ccccc32)cc1
CN1CCN(CC1)[C@H]1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2CC1CCNCC1
Clc1ccc(O[C@@H]2CC(N3CCOCC3)C(=O)c3c2n(CCCN2CCCCC2)c2ccccc32)cc1
CN1CCC(Cn2c3[C@@H](CC(N4CCN(C)CC4)C(=O)c3c3ccccc23)Oc2ccc(Cl)cc2)CC1
CN1CCN(CC1)C1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2C
OCCN1CCN(CC1)C1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2CC1CCNCC1
FC1(F)CCN(CC1)C1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2CC1CCNCC1
CC1CCN(CC1)[C@@H]1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2CC1CCNCC1
CN1CCN(CC1)C1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2C[C@H]1CCNC[C@@H]1F
CN1CCN(CC1)C1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2CCCN1CCCCC1
Clc1ccc(O[C@@H]2CC(N3CCNCC3)C(=O)c3c2n(CCCN2CCCCC2)c2ccccc32)cc1
CN1CCN(CC1)C1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2C[C@H]1CCN(C)C[C@@H]1F
CN1CCN(CC1=O)C1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2CC1CCNCC1
CC1(F)CCN(CC1)C1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2CC1CCNCC1
CC1CCN(CC1)C1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2CCCN1CCCCC1
CN1CCN(CC1)C1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2C[C@@H]1CCNC[C@@H]1F
CNC1CCC(Cn2c3[C@@H](CC(N4CCN(C)CC4)C(=O)c3c3ccccc23)Oc2ccc(Cl)cc2)CC1 |wU:9.31,(11.22,-42.16,;12.24,-43.31,;13.75,-42.99,;14.23,-41.53,;15.74,-41.22,;16.76,-42.37,;18.26,-42.05,;18.74,-40.58,;20.21,-40.11,;21.55,-40.89,;22.9,-40.11,;22.9,-38.56,;24.24,-37.79,;25.57,-38.58,;26.9,-37.82,;26.91,-36.28,;28.25,-35.52,;25.58,-35.5,;24.24,-36.26,;21.55,-37.77,;21.56,-36.23,;20.21,-38.55,;18.74,-38.07,;18.11,-36.67,;16.58,-36.5,;15.67,-37.75,;16.29,-39.16,;17.83,-39.33,;21.54,-42.43,;22.78,-43.33,;22.61,-44.86,;23.85,-45.77,;25.26,-45.15,;26.5,-46.05,;25.42,-43.61,;24.18,-42.71,;16.29,-43.83,;14.78,-44.14,)|
CN1CCN(CC1)[C@@H]1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2CC1CCNCC1
CC1CCN(CC1)[C@H]1C[C@@H](Oc2ccc(Cl)cc2)c2c(C1=O)c1ccccc1n2CC1CCNCC1
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O |wU:82.92,74.81,8.12,4.4,30.31,53.61,16.23,wD:93.101,39.52,62.69,102.104,34.35,(24.84,-22.59,;25.32,-21.13,;24.29,-19.98,;24.77,-18.52,;23.74,-17.37,;24.22,-15.91,;25.72,-15.59,;26.75,-16.74,;26.2,-14.13,;27.71,-13.81,;28.74,-14.96,;30.24,-14.64,;28.26,-16.42,;25.17,-12.98,;25.65,-11.52,;27.16,-11.2,;24.62,-10.37,;25.1,-8.91,;26.61,-8.59,;27.75,-9.62,;29.09,-8.86,;28.77,-7.35,;27.24,-7.19,;23.12,-10.69,;22.09,-9.54,;22.57,-8.08,;20.58,-9.86,;19.55,-8.72,;18.04,-9.03,;17.57,-10.5,;17.02,-7.89,;15.51,-8.2,;14.48,-7.06,;14.96,-5.59,;12.97,-7.38,;12.5,-8.84,;11.95,-6.23,;10.44,-6.55,;9.96,-8.01,;9.41,-5.4,;7.9,-5.72,;7.42,-7.18,;8.32,-8.42,;7.42,-9.66,;5.97,-9.19,;4.63,-9.96,;3.3,-9.19,;3.3,-7.65,;4.63,-6.88,;5.97,-7.65,;9.89,-3.94,;8.86,-2.79,;7.35,-3.11,;9.34,-1.33,;10.85,-1.01,;11.32,.45,;12.83,.77,;13.31,2.24,;13.86,-.37,;8.31,-.18,;8.79,1.28,;10.3,1.6,;7.76,2.43,;6.25,2.11,;5.22,3.26,;3.72,2.94,;5.7,4.72,;8.24,3.89,;9.75,4.21,;10.77,3.06,;10.22,5.67,;11.73,5.99,;12.21,7.46,;11.18,8.6,;13.72,7.77,;14.74,6.63,;16.25,6.94,;17.28,5.8,;16.73,8.41,;14.19,9.24,;13.17,10.38,;11.66,10.07,;13.64,11.85,;15.15,12.17,;15.63,13.63,;17.14,13.95,;17.61,15.41,;19.12,15.73,;19.6,17.19,;20.15,14.58,;12.62,12.99,;13.09,14.46,;14.6,14.78,;12.07,15.6,;10.56,15.29,;9.53,16.43,;8.02,16.11,;7,17.26,;7.55,14.65,;12.54,17.07,;11.52,18.21,;10.01,17.9,;11.99,19.68,;11.09,20.93,;12,22.17,;13.46,21.69,;14.71,22.59,;13.46,20.15,;17.49,-6.42,;19,-6.11,;16.47,-5.28,;22.23,-17.69,;21.75,-19.16,;21.2,-16.55,)|
CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)COCCOCCNC(=O)[C@H](CCCCNC(=O)COCC(=O)NCCOCCOCC(=O)NCC(=O)NC1=CC=C(C=C1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(N)=O |r,c:73,75,95,98,100,126,188,231,t:71,92,124,183,185,226,228|
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6]-[#7](-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#6](-[#7])=O)-[#6]-[#6]-1)-[#6](-[#8])=O |r|
CCOc1cccc(c1)C1(C2CC(C)CC12)N1CCN(CC1)c1cccnn1 |(21.7,-21.74,;20.21,-21.34,;19.12,-22.44,;17.64,-22.05,;17.23,-20.55,;15.72,-20.16,;14.64,-21.26,;15.05,-22.75,;16.55,-23.15,;13.96,-23.85,;12.46,-24.16,;10.92,-24.17,;10.45,-22.71,;8.98,-22.23,;11.69,-21.8,;12.94,-22.71,;14.36,-25.33,;13.27,-26.41,;13.66,-27.89,;15.14,-28.3,;16.23,-27.21,;15.84,-25.72,;15.53,-29.78,;17.02,-30.18,;17.42,-31.67,;16.32,-32.76,;14.84,-32.35,;14.44,-30.87,)|
CCOc1cccc(c1)C1(C2CC(C)CC12)N1CCN(CC1)c1ncncn1 |(27.99,-16.3,;26.5,-15.91,;25.41,-17.01,;23.93,-16.61,;23.52,-15.12,;22.01,-14.73,;20.93,-15.83,;21.34,-17.32,;22.84,-17.71,;20.25,-18.42,;18.75,-18.73,;17.21,-18.74,;16.74,-17.28,;15.27,-16.8,;17.98,-16.37,;19.23,-17.28,;20.65,-19.9,;19.56,-20.98,;19.95,-22.46,;21.43,-22.86,;22.52,-21.78,;22.13,-20.29,;21.82,-24.35,;20.73,-25.43,;21.12,-26.92,;22.6,-27.33,;23.7,-26.23,;23.3,-24.75,)|
CCOc1cccc(c1)C1(C2CC(C)CC12)N1CCN(CC1)c1ccccc1N |(71.32,-17.42,;69.83,-17.03,;68.74,-18.13,;67.25,-17.74,;66.85,-16.24,;65.34,-15.85,;64.26,-16.95,;64.67,-18.44,;66.17,-18.84,;63.58,-19.54,;62.08,-19.85,;60.54,-19.86,;60.07,-18.4,;58.6,-17.92,;61.31,-17.49,;62.56,-18.4,;63.98,-21.02,;62.89,-22.1,;63.28,-23.58,;64.76,-23.99,;65.85,-22.9,;65.46,-21.41,;65.15,-25.47,;64.06,-26.55,;64.45,-28.04,;65.93,-28.45,;67.03,-27.35,;66.63,-25.87,;67.72,-24.78,)|
CCOc1cccc(c1)C1(C2CC(C)CC12)N1CCN(CC1)c1ncccn1 |(48.35,-14.55,;46.86,-14.16,;45.77,-15.26,;44.29,-14.87,;43.88,-13.37,;42.37,-12.98,;41.29,-14.08,;41.7,-15.57,;43.2,-15.97,;40.61,-16.67,;39.11,-16.98,;37.57,-16.99,;37.1,-15.53,;35.63,-15.05,;38.34,-14.62,;39.59,-15.53,;41.01,-18.15,;39.92,-19.23,;40.31,-20.71,;41.79,-21.11,;42.88,-20.03,;42.49,-18.54,;42.18,-22.6,;41.09,-23.68,;41.48,-25.17,;42.96,-25.58,;44.06,-24.48,;43.66,-23,)|
CCOc1cccc(c1)C1(C2CC(C)CC12)N1CCN(CC1)c1ccccn1
CCOc1cccc(c1)C1(C2CC(C)CC12)N1CCN(CC1)c1cnccn1 |(16.59,-16.93,;15.1,-16.54,;14.02,-17.64,;12.53,-17.24,;12.12,-15.75,;10.62,-15.36,;9.53,-16.46,;9.94,-17.95,;11.44,-18.34,;8.86,-19.05,;7.36,-19.36,;5.81,-19.37,;5.34,-17.9,;3.88,-17.43,;6.58,-17,;7.83,-17.9,;9.25,-20.53,;8.16,-21.61,;8.55,-23.09,;10.03,-23.49,;11.12,-22.41,;10.73,-20.92,;10.43,-24.98,;9.33,-26.06,;9.72,-27.55,;11.21,-27.95,;12.31,-26.86,;11.91,-25.38,)|
CCOc1cccc(c1)C1(C2CC(C)CC12)N1CCN(CC1)c1ccc(Cl)nn1 |(20.43,-20.88,;18.94,-20.49,;17.86,-21.59,;16.37,-21.19,;15.96,-19.7,;14.45,-19.31,;13.37,-20.41,;13.78,-21.9,;15.28,-22.29,;12.69,-23,;11.19,-23.31,;9.65,-23.32,;9.18,-21.85,;7.71,-21.38,;10.42,-20.95,;11.67,-21.85,;13.09,-24.48,;12,-25.56,;12.39,-27.04,;13.87,-27.45,;14.96,-26.36,;14.57,-24.87,;14.26,-28.93,;15.75,-29.34,;16.14,-30.83,;15.05,-31.91,;15.44,-33.4,;13.56,-31.51,;13.17,-30.02,)|
CCOc1cccc(c1)C1(C2CC(C)CC12)N1CCNCC1 |(49.56,-3.76,;48.07,-3.37,;46.98,-4.47,;45.49,-4.08,;45.09,-2.58,;43.58,-2.19,;42.5,-3.29,;42.91,-4.78,;44.41,-5.18,;41.82,-5.88,;40.32,-6.19,;38.78,-6.2,;38.31,-4.74,;36.84,-4.26,;39.55,-3.83,;40.8,-4.74,;42.22,-7.36,;41.13,-8.44,;41.52,-9.92,;43,-10.33,;44.09,-9.24,;43.7,-7.75,)|
CCOc1cccc(c1)C1(C2CC(C)CC12)N1CCN(Cc2ccccc2)CC1 |(33.81,-2.78,;32.32,-2.39,;31.23,-3.49,;29.74,-3.1,;29.33,-1.6,;27.83,-1.21,;26.75,-2.31,;27.16,-3.8,;28.66,-4.2,;26.07,-4.9,;24.57,-5.21,;23.03,-5.22,;22.56,-3.76,;21.09,-3.28,;23.8,-2.85,;25.05,-3.76,;26.47,-6.38,;25.38,-7.46,;25.77,-8.94,;27.25,-9.34,;27.64,-10.83,;26.55,-11.92,;25.06,-11.51,;23.97,-12.59,;24.36,-14.08,;25.85,-14.48,;26.94,-13.4,;28.34,-8.26,;27.95,-6.77,)|
CCOc1cccc(c1)C1(C2CC(C)CC12)N1CCN(CC1)c1cccc(OC)n1 |(46.32,-30.8,;44.83,-30.41,;43.75,-31.5,;42.26,-31.11,;41.85,-29.62,;40.34,-29.23,;39.26,-30.33,;39.67,-31.81,;41.17,-32.21,;38.58,-32.91,;37.09,-33.23,;35.54,-33.24,;35.07,-31.77,;33.61,-31.3,;36.31,-30.86,;37.56,-31.77,;38.98,-34.39,;37.89,-35.48,;38.28,-36.95,;39.76,-37.36,;40.85,-36.28,;40.46,-34.79,;40.16,-38.84,;39.06,-39.93,;39.45,-41.42,;40.94,-41.82,;42.03,-40.73,;43.52,-41.13,;43.92,-42.62,;41.64,-39.24,)|
CCOc1cccc(c1)C1(C2CC(C)CC12)N1CCN(CC1)c1ccncc1
CCOc1cccc(c1)C1(C2CC(C)CC12)N1CCN(CC1)c1cncnc1 |(74.92,-16.64,;73.43,-16.25,;72.34,-17.35,;70.85,-16.96,;70.44,-15.46,;68.94,-15.07,;67.86,-16.17,;68.27,-17.66,;69.76,-18.06,;67.18,-18.76,;65.68,-19.07,;64.14,-19.08,;63.67,-17.62,;62.2,-17.14,;64.91,-16.71,;66.16,-17.62,;67.57,-20.24,;66.49,-21.32,;66.88,-22.8,;68.36,-23.21,;69.45,-22.12,;69.05,-20.63,;68.75,-24.69,;67.65,-25.77,;68.04,-27.26,;69.53,-27.67,;70.63,-26.57,;70.23,-25.09,)|
CCOc1cccc(c1)C1(C2CC(C)CC12)N1CCN(CC1)c1cccnc1 |(21.2,-22.5,;19.71,-22.11,;18.62,-23.21,;17.13,-22.82,;16.73,-21.32,;15.22,-20.93,;14.14,-22.03,;14.55,-23.52,;16.05,-23.92,;13.46,-24.62,;11.96,-24.93,;10.42,-24.94,;9.95,-23.48,;8.48,-23,;11.19,-22.57,;12.44,-23.48,;13.86,-26.1,;12.77,-27.18,;13.16,-28.66,;14.64,-29.07,;15.73,-27.98,;15.34,-26.49,;15.03,-30.55,;13.94,-31.64,;14.33,-33.13,;15.81,-33.53,;16.91,-32.45,;16.52,-30.96,)|
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[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#7])=O |r|
C[C@@H](O)[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
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[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#7]-[#6](-[#7])=[#7]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(-[#8])cc1 |r,w:18.18|
CCC(=O)NCCN(CCNC(=O)c1ccc(cc1)C(=O)NCCOCCOCCNC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)c1ccc(cc1)C(=O)NCCOCCOCCNC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r|
NCCC(=O)NCCNC(=O)CCC(=O)NCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:24.24|
NCCOCCOCCNC(=O)CCC(=O)NCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:25.25|
[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6](-c2ccccc2)-c2ccccc2)cc1 |r|
NCCCOCCOCCOCCNC(=O)CCC(=O)NCCNC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r|
NC(NC(=O)CCCCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:48.51,16.16|
NCCN(CCNC(=O)c1ccc(cc1)C(=O)NCCCCNC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)c1ccc(cc1)C(=O)NCCCCNC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r|
NCCN(CCNC(=O)CCCC(=O)NCCOCCOCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCC(=O)NCCOCCOCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:29.29,86.89|
NCCN(CCNC(=O)c1ccc(cc1)C(=O)NCCOCCOCCNC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)c1ccc(cc1)C(=O)NCCOCCOCCNC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r|
NCCN(CCNC(=O)CCCCC(=O)NCCCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCCC(=O)NCCCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:26.26,80.83|
[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6](-c2ccccc2)-c2ccccc2)cc1 |r|
NCCN(CCNC(=O)CCC(=O)NCCCCCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCC(=O)NCCCCCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:26.26,80.83|
NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:28.28,84.87|
NCCOCCOCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:15.15|
NCCN(CCNC(=O)CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:17.17,62.65|
[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6](-c2ccccc2)-c2ccccc2)cc1 |r|
NCCCCCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:13.13|
NCCOCCOCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:15.15|
NCCCOCCOCCOCCNC(=O)CCC(=O)NCCNC(=O)NC(N)=NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:29.29|
NCCOCCOCCNC(=O)CCC(=O)NCCNC(=O)NC(N)=NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:25.25|
NCCC(=O)NCCNC(=O)CCC(=O)NCCNC(=O)CCC(=O)NCCNC(=O)NC(N)=NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:34.34|
NCCNC(=O)CCC(=O)NCCNC(=O)CCC(=O)NCCNC(=O)NC(N)=NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:29.29|
NCCC(=O)NCCNC(=O)CCC(=O)NCCNC(=O)NC(N)=NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:24.24|
NCCNC(=O)CCC(=O)NCCNC(=O)NC(N)=NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:19.19|
NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)NC(=N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1)CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)NC(N)=NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:88.91|
NCCC(=O)NCCNC(=O)CCC(=O)NCCNC(=O)CCC(=O)NCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:34.34|
NCCNC(=O)CCC(=O)NCCNC(=O)CCC(=O)NCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:29.29|
[#7]-[#6]-[#6]-[#7]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6](-c2ccccc2)-c2ccccc2)cc1 |r|
[#7]-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-c2ccccc2)-c2ccccc2)cc1)-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-c2ccccc2)-c2ccccc2)cc1 |r|
NCCNC(=O)CCC(=O)NCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:19.19|
NCCN(CCNC(=O)CCC(=O)NCCCCCCNC(=O)NC(=N)NCCC[C@H](NC(=O)CC1(CC(=O)N2CCN(CC2)C2c3ccccc3NC(=O)c3ccccc23)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O)CCNC(=O)CCC(=O)NCCCCCCNC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r|
NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1)CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:88.91|
[#7]-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-c2ccccc2)-c2ccccc2)cc1)-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-c2ccccc2)-c2ccccc2)cc1 |r|
NCCCCCCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:13.13|
NCCN(CCNC(=O)c1ccc(cc1)C(=O)NCCOCCOCCNC(=O)NC(=N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)CCNC(=O)c1ccc(cc1)C(=O)NCCOCCOCCNC(=O)NC(=N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r|
NCCCCCCNC(=O)NC(N)=NCCC[C@H](NC(=O)CC1(CC(=O)N2CCN(CC2)C2c3ccccc3NC(=O)c3ccccc23)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O |r,w:13.13|
NCCCCNC(=O)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r|
NCCOCCOCCNC(=O)NC(N)=NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1 |r,w:15.15|
NCCOCCOCCNC(=O)NC(N)=NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:15.15|
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]C1([#6]-[#6](=O)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6]-2-c3ccccc3-[#7]-[#6](=O)-c3ccccc-23)[#6]-[#6]-[#6]-[#6]1)-[#6](=O)-[#7]-[#6]-[#6]-n1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O |r|
[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(-[#8])cc1 |r|
CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)O[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
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CN[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)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 |r|
CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]1CSCC(=O)N[C@@H](CCCNC(=O)CSC[C@H](NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
CC(=O)NCCNC(=O)N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1
CC(=O)NCCCNC(=O)N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1
CCC(=O)NCCCNC(=O)N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1
NC(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)=NC(=O)NCCNC(=O)CF
NC(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)=NC(=O)NCCNC(=O)C(F)F
NC(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)=NC(=O)NCCNC(=O)C(F)(F)F
NC(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)=NC(=O)NCCNC(=O)CCl
NC(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)=NC(=O)NCCNC(=O)CBr
NCC(=O)NCCNC(=O)N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1
NC(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)=NC(=O)NCCNC(=O)CO
NC(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)=NC(=O)NCCNC(=O)C=C
NC(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)=NC(=O)NCCNC(=O)CCCl
NC(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)=NC(=O)NCCNC(=O)CCBr
CC(C)C(=O)NCCNC(=O)N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1
CC(C)(C)C(=O)NCCNC(=O)N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1
NC(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)=NC(=O)NCCNC(=O)C1CC1
NC(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)=NC(=O)NCCNC(=O)C1CCC1
NC(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)=NC(=O)NCCNC(=O)C1CCCC1
NC(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)=NC(=O)NCCNC(=O)C1CCCCC1
NC(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)=NC(=O)NCCNC(=O)CC1CCCCC1
NC(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)=NC(=O)NCCNC(=O)c1ccccc1
NC(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)=NC(=O)NCCNC(=O)c1ccc(F)cc1
NC(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)=NC(=O)NCCNC(=O)Cc1ccccc1
NC(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)=NC(=O)NCCNC(=O)C(c1ccccc1)c1ccccc1
CN(C)c1ccc(C=CC=Cc2cc(C)[n+](CCNC(=O)N=C(N)NCCC[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)C(=O)NCc3ccc(O)cc3)c(C)c2)cc1
CC[C@H](C)[C@H](NC(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)NCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)NC(=O)NCCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCNC(=N)NC(=O)NCCCCNC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)NC(=O)NCCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCNC(=N)NC(=O)NCCCCNC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)NC(=O)NCCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCNC(=N)NC(=O)NCCCCNC(=O)CCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)NC(=O)NCCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCNC(=N)NC(=O)NCCCCNC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
NCCCCNC(=O)NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCNC(=N)NC(=O)NCCCCNC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)NC(=O)NCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CCCNC(=N)NC(=O)NCCCNC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
NCCCNC(=O)NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCNC(=N)NC(=O)NCCCNC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)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(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)[C@H](CCC(O)=O)NC(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=O)[C@H](CCC(O)=O)NC(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)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(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)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(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)[C@H](CCC(O)=O)NC(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)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(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)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(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Cc1ccccc1OCC(=O)Nc1cc(cn(C)c1=O)C(=O)N1CCCC1
CC(C)C[C@H](NC(=O)[C@@H]1CCCNC(N)=NC(=O)NCCCCNC(=O)C[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
CC(C)C[C@H](NC(=O)[C@@H]1CCCNC(N)=NC(=O)NCCCCNC(=O)C[C@@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
CC(C)C[C@H](NC(=O)[C@@H]1CCCNC(N)=NC(=O)NCCCCNC(=O)[C@@H](N)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
CC(C)C[C@H](NC(=O)[C@@H]1CCCNC(N)=NC(=O)NCCCCNC(=O)[C@H](N)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
CC(C)C[C@H](NC(=O)[C@@H]1CCCNC(N)=NC(=O)NCCNC(=O)CC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
CC(C)C[C@H](NC(=O)[C@@H]1CCCNC(N)=NC(=O)NCCCCNC(=O)[C@@H](CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)NC(=O)CCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
CCC(=O)N[C@H]1CC(=O)NCCCCNC(=O)N=C(N)NCCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
CCC(=O)N[C@@H]1CC(=O)NCCCCNC(=O)N=C(N)NCCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
CCC(=O)N[C@H]1CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=NC(=O)NCCCCNC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
CCC(=O)N[C@@H]1CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=NC(=O)NCCCCNC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
CCC(=O)N[C@H]1CCC(=O)NCCNC(=O)N=C(N)NCCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
CCC(=O)NCCCC(=O)N[C@@H]1CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=NC(=O)NCCCCNC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O