241 SMILES Strings for Insulin-degrading enzyme

Compound Name
SMILES String
NC(=N)NCCC[C@H]1NC(=O)\C=C\C(=O)NC(CCCCCC(=O)C(Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@@H](CC2CCCCC2)CC1=O)C(N)=O |r,t:11|
NC(=N)NCCC[C@@H]1NC(=O)\C=C\C(=O)NC(CCCCCC(=O)C(Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)CC1=O)C(N)=O |r,t:11|
NC(=O)[C@@H]1CCCCCC(=O)C(Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)CC(=O)[C@H](CC2CCCCC2)NC(=O)\C=C\C(=O)N1 |r,t:56|
NC(=O)[C@H]1CCCCCC(=O)C(Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)CC(=O)[C@H](CC2CCCCC2)NC(=O)\C=C\C(=O)N1 |r,t:56|
NC(=O)[C@H]1CCCCCC(=O)CNC(=O)[C@H](CC2CCCCC2)CC(=O)[C@H](CC2CCCCC2)NC(=O)\C=C\C(=O)N1 |r,t:39|
NC(=O)[C@@H]1CCCCCC(=O)CNC(=O)[C@H](CC2CCCCC2)CC(=O)[C@H](CC2CCCCC2)NC(=O)\C=C\C(=O)N1 |r,t:39|
NC(=O)[C@H]1CCCCCC(=O)C(Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)CC(=O)[C@H](CC2CC2)NC(=O)\C=C\C(=O)N1 |r,t:53|
NC(=O)[C@@H]1CCCCCC(=O)C(Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)CC(=O)[C@H](CC2CC2)NC(=O)\C=C\C(=O)N1 |r,t:53|
NC(=C)CC[C@@H]1NC(=O)\C=C\C(=O)N[C@H](CCCCCC(=O)C(Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)CC1=O)C(N)=O |r,t:9|
NC(=C)CC[C@@H]1NC(=O)\C=C\C(=O)N[C@@H](CCCCCC(=O)C(Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)CC1=O)C(N)=O |r,t:9|
CCOC(=O)N1CCN(CC1)c1ncnc2c3cc(OC)ccc3[nH]c12
Clc1ccc2[nH]c3c(NCCCN4CCOCC4)ncnc3c2c1
Nc1c2CCCCCc2nc2ccn(-c3ccccc3)c(=O)c12
Cc1cccc(c1)-c1nnc(SCc2nc3ccccc3[nH]2)n1Cc1ccco1
CCCn1c(Nc2nc3ccccc3n2C)nc2ccccc12
Clc1cccc(c1)-c1nnc(SCc2nc3ccccc3[nH]2)n1Cc1ccco1
O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cccc(c1)-c1nnc2CCCCCn12
COc1ccc(cc1)-c1nnc(Nc2nc3c(OC)cccc3s2)o1
COC(=O)C1=C(C)N=c2sc(=Cc3ccoc3)c(=O)n2C1c1ccccc1 |c:4,t:7|
Cc1cc(C)c2c(n1)sn(CC(=O)NCCCN1CCOCC1)c2=O
CC1Cc2ccccc2N1C(=O)c1ccc(CNc2c(N3CCC(C)CC3)c(=O)c2=O)cc1
CCOC(=O)C1C(C(C#N)=C(NC1=O)SCC(N)=O)c1ccccc1OCC |c:9|
[H]C12CC3([H])CC(CC(O)=O)(C1)CC(C2)(C3)n1ncc(Nc2cc(C)cc(C)c2)c(Cl)c1=O |TLB:16:13:11:3.5.2,15:13:11:3.5.2,THB:2:3:12:1.11.14,15:3:11:13.12.14|
COc1cc(C=Nn2c(O)csc2=S)ccc1O |w:6.6|
[H]C12CC3([H])CC(CC(O)=O)(C1)CC(C2)(C3)n1ncc(Nc2ccc(C)c(C)c2)c(Cl)c1=O |TLB:16:13:11:3.5.2,15:13:11:3.5.2,THB:2:3:12:1.11.14,15:3:11:13.12.14|
CC1C=CCc2c(O)n(c(O)c12)-c1cccc(c1)C(=O)N1CCN(CC1)c1cccc(C)c1C |c:2|
COc1ccc2[nH]c3c(NCc4ccco4)ncnc3c2c1
CC(=Nc1cccc(C)c1)c1sc2ccccc2c1O |w:2.2|
Cc1c(-n2cc(cc(C#N)c2=O)C(=O)c2cc(Cl)ccc2O)c(=O)n(-c2ccccc2)n1C |(4.37,-1.92,;5.84,-2.39,;7.08,-1.49,;7.08,.05,;8.41,.82,;8.41,2.36,;7.08,3.13,;5.75,2.36,;4.41,3.13,;3.08,3.9,;5.75,.82,;4.41,.05,;9.75,3.13,;11.08,2.36,;9.75,4.67,;8.41,5.44,;8.41,6.98,;7.08,7.75,;9.75,7.75,;11.08,6.98,;11.08,5.44,;12.42,4.67,;8.33,-2.39,;9.79,-1.92,;7.85,-3.86,;8.76,-5.1,;8.13,-6.51,;9.04,-7.75,;10.57,-7.59,;11.19,-6.19,;10.29,-4.94,;6.31,-3.86,;5.41,-5.1,)|
CN(C)C=Cc1oc(=O)c(NC(=O)c2ccccc2)cc1C(C)=O |w:4.4|
Fc1ccc(NC=C2SC(=O)c3ccccc23)cc1 |w:6.5|
CCN1C(=S)S\C(=C/c2cc(C)n(C)c2C)C1=O
S=C(Nc1nc2ccccc2n1CCOc1ccccc1)Nc1ccccc1
COc1ccc(cc1)-n1c(C)cc(\C=C2/SC(=S)N(Cc3ccco3)C2=O)c1C
Cc1ccc(NC2=NC(=O)C(S2)=Cc2cn(C)c3ccccc23)cc1C |w:12.13,t:6|
CC(=O)Nc1cc(N=Cc2ccc(O)cc2O)c(Cl)cc1Cl |w:7.6|
CSC1=NSC2=NC(=O)\C(=C\c3coc4ccc(O)cc4c3=O)C(=N)N12 |t:2,5|
Fc1ccc(cc1)C(=O)N1C(=S)NC(=O)\C1=C/c1ccccc1
Oc1n(-c2ccccc2)c(=O)c2c([nH]n(-c3ccccc3)c12)C(=O)c1ccccc1
[#6]-[#6]-[#7](-[#6]-[#6])-c1ccc(\[#6]=[#6](\c2nnnn2-c2ccccc2)-c2nnnn2-c2ccccc2)cc1
Cc1c(NC(=O)C(=C\c2ccc(o2)-c2ccc(Cl)cc2)\C#N)c(=O)n(-c2ccccc2)n1C
[H]C12CCC([H])(C1)C1C2C(=O)N(C1=O)c1ccc(Cl)c(c1)C(=O)N1CCN(CC1)c1ccccc1OC |TLB:9:8:6:2.3,THB:12:7:6:2.3|
CN1CCCC1=CC=C1SC(S)=NC1=O |w:8.9,6.7,c:12|
Oc1n(-c2ccccc2Cl)c(=O)c2c([nH]n(-c3ccccc3)c12)C(=O)c1ccccc1 |(8.13,-2.3,;8.61,-.83,;7.7,.41,;6.16,.41,;5.39,-.92,;3.85,-.92,;3.08,.41,;3.85,1.75,;5.39,1.75,;6.16,3.08,;8.61,1.66,;8.13,3.12,;10.07,1.18,;11.53,1.65,;12.43,.41,;11.53,-.83,;12.01,-2.29,;10.98,-3.44,;11.46,-4.9,;12.96,-5.22,;13.99,-4.07,;13.51,-2.61,;10.07,-.36,;12.01,3.12,;10.98,4.26,;13.51,3.44,;14.54,2.29,;16.05,2.61,;16.53,4.07,;15.5,5.22,;13.99,4.9,)|
COc1ccc(cc1)C(=O)c1sc2nc(ccc2c1N)-c1ccccc1
O=C1NC(=O)C(=Cc2ccc(o2)N2CCCCC2)C(=O)N1c1ccc2OCOc2c1 |w:6.6|
COc1ccc(NC2=NC(=O)C(S2)=Cc2ccc(O)c(OC)c2)cc1 |w:13.14,t:7|
CCN(CC)c1ccc(\C=C2/CCC(C=NNC(=O)c3ccc(=O)n(C)c3)=C2N2CCOCC2)cc1 |c:27|
Oc1c(C=CC=Nc2ccccc2)c(=O)[nH]c(=O)n1-c1ccccc1 |w:6.6,3.2|
CN(C)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)cc1
[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]1-[#6]=[#6]-[#6]=[#6]\[#6]-1=[#6]\[#6]=[#6](\C#N)C#N |c:7,9|
Cc1cccc(c1)N=Cc1[nH]c2ccc(Br)c(Cl)c2c1O |w:7.7|
Cc1cccc(Nc2nc(N)c(C#N)c(CC#N)c2C#N)c1
CCOc1ccccc1-n1c(SCC(=O)N2CCCc3ccccc23)nnc1-c1cccnc1 |(12.91,-1.97,;11.76,-.94,;10.3,-1.42,;9.98,-2.93,;11.12,-3.96,;10.8,-5.46,;9.34,-5.94,;8.2,-4.91,;8.52,-3.4,;7.37,-2.37,;7.53,-.84,;8.87,-.07,;8.87,1.47,;10.2,2.24,;11.53,1.47,;10.2,3.78,;8.87,4.55,;8.87,6.09,;10.2,6.86,;11.53,6.09,;12.91,6.91,;14.3,6.12,;14.3,4.52,;12.91,3.73,;11.53,4.55,;6.12,-.21,;5.09,-1.36,;5.86,-2.69,;5.24,-4.1,;3.71,-4.26,;3.08,-5.67,;3.99,-6.91,;5.52,-6.75,;6.14,-5.35,)|
Cc1ccc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)cc1C
CCN(CC)C(=O)c1ccc(\C=C\c2c[nH]c3ccccc23)[n+](C)c1
O=C1NC(=O)C(=Cc2ccc(o2)N2CCCC2)C(=O)N1c1ccc2OCOc2c1 |w:6.6|
COc1ccc(cc1)C1CC(=NN1c1ccc(C=O)cc1)c1cccs1 |c:11|
Cc1ccc(C=NNC(=O)C(NC(=O)c2ccccc2)C=Nc2nccc(C)n2)cc1 |w:21.22,6.6|
CN(C)c1ccc(\C=C2/SC(=O)N(CCc3nnc(N)s3)C2=O)cc1
Oc1c(\C=c2/sc3nc4ccccc4n3c2=O)cc(cc1[N+]([O-])=O)[N+]([O-])=O
CCCN1C(=S)N\C(=C/c2ccc(cc2)N2CCOCC2)C1=O
O=C(NCCC1=CCCCC1)Nc1ccc2nsnc2c1 |t:5|
[H]C12CC3([H])CC(CC(O)=O)(C1)CC(C2)(C3)n1ncc(NCc2ccc(F)cc2Cl)c(Cl)c1=O |TLB:15:13:11:3.5.2,16:13:11:3.5.2,THB:15:3:11:13.12.14,2:3:12:1.11.14|
Clc1ccc2c(ccnc2c1)N1CCN(CC1)C(=O)c1ccco1
N=C1N2N=C(SC2=NC(=O)\C1=C\c1coc2ccccc2c1=O)c1ccncc1 |c:3,7|
NC(=O)C(=C\c1ccc(o1)N1CCCCC1)\C#N
COc1cc(\C=C2\SC(=S)N(C2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1O
COc1cc(\C=C2/SC(=N)N(C2=O)c2ccc(F)cc2)ccc1O
CCN(CC)c1ccc(\C=C(\C#N)C(=O)NC(C)C)o1
O=C(NCC1CCCO1)C(=C\c1ccc(o1)N1CCOCC1)\C#N
CCN1C(=S)O\C(=C/C=C2/CCCN2C)C1=O
[#6]-[#6]-[#7]-1-[#6](-[#16]-c2ccccc-12)=[#6]\[#6]=[#6](\[#6](-[#6])=O)-[#6](-[#6])=O |w:11.13|
Cc1cc(C)c2c(n1)sn(CC(=O)Nc1ccc(Br)c(C)c1)c2=O
CN(C)c1ccc(C=CC(=O)c2c(O)c3ccccc3oc2=O)cc1 |w:7.6|
CCN(CC)C(=O)Cn1cc(C(=O)C(=O)N2CCC(=CC2)c2ccccc2)c2ccccc12 |c:18|
CCN1C(=S)S\C(=C/C=C2/Sc3ccccc3N2CCO)C1=O
FC(F)(F)c1cccc(NC(=O)c2csc(n2)-c2ccncc2)c1
COc1ccc(cc1)N=Cc1oc2ccc3ccccc3c2c1O |w:8.8|
Cc1cccc(c1)C(=O)Nc1ccnc(n1)-c1cccnc1
Cc1cccc(c1)C(=O)Nc1ccnc(n1)-c1ccncc1
CCN1\C(Sc2ccccc12)=C\c1cc[n+](CCCS([O-])(=O)=O)c2ccccc12
COc1cc(ccc1O)-c1cc(=O)c2ccccc2o1
COc1ccc2c(Cl)c(sc2c1)C(=O)NNC1=CC(=O)CCC1 |t:18|
CC(=O)c1cccc(OCC(=O)N2CCN(CC2)c2ccc(cn2)C(F)(F)F)c1
CC(C)(C)NC(=O)NC(=O)CN1CCN(CC1)c1cccc(Cl)c1
Clc1c(sc2ccccc12)C(=O)NNC1=CC(=O)CCC1 |t:16|
CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)c1c(C)c(nc2ccccc12)-c1cccc(Cl)c1
O=c1n(sc2ccccc12)-c1cc(ccc1N1CCOCC1)S(=O)(=O)N1CCOCC1
Cc1ccc(cc1S(=O)(=O)N1CCCCC1)-n1sc2ccccc2c1=O
Oc1c(O)c(=O)[nH]c2ccccc12
CCOc1ccc(cc1)N1C(=O)S\C(=C/c2ccc(O)c(OC)c2)C1=O
[H]C12CC3([H])CC(CC(O)=O)(C1)CC(C2)(C3)n1ncc(NCc2ccccc2Cl)c(Cl)c1=O |THB:2:3:12:1.11.14,14:13:5:1.11.2,14:1:5:13.12.15|
CS(=O)(=O)Oc1ccc2C(=O)\C(Oc2c1)=C\C=C\c1ccccc1
COc1ccc(cc1)N=C(C)c1sc2ccccc2c1O |w:8.8|
CC(=O)N(C(C)=O)c1nc(cn1N=Cc1ccccc1)-c1ccccc1 |w:12.12|
Cn1c2ccccc2c2cc(\C=C(/NC(=O)c3ccccc3)C(=O)NCC(O)=O)ccc12
CCN(CC)c1ccc(\C=C2/C(=O)NC(=S)N(C)C2=O)o1
[#6]=[#6]-[#6]-[#7]-1-[#6]=[#6]\[#6](=[#6]\[#6]=[#6](\C#N)C#N)-[#6]=[#6]-1 |c:4,14|
Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(o2)N2CCOCC2)C1=O |w:14.15|
O=C(NC1CCCCC1)C(=C\c1ccc(o1)N1CCOCC1)\C#N
COc1cc(OC)c(\C=C2/Oc3cc(OS(C)(=O)=O)ccc3C2=O)cc1OC
Cc1cc(C=C2SC(S)=NC2=O)cc(C)c1O |w:4.3,c:8|
CCOC(=O)C(=CC1=CC(=CN(C)C)C(=O)O1)C(C)=O |w:10.10,6.6,t:7|
Cc1cccc(n1)-n1c(O)c(C=Nc2ccccc2-c2n[nH]c(=S)[nH]c2=O)c2ccccc2c1=O |w:12.13|
OC(=O)c1cccc(c1)-c1ccc(CN=Nc2ccc(cc2)[N+]([O-])=O)o1 |w:15.16|
Cc1ccc(-c2cc([nH]n2)C(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ncccn2)c(O)c1C
COc1cccc(CN=Nc2ncnc3c4cc(C)ccc4[nH]c23)c1OC |w:9.9|
O=C1Nc2ccccc2C1=Cc1cnc([nH]1)-c1ccccc1 |w:10.12|
Clc1ccc2c(ccnc2c1)N1CCN(CC1)C(=O)C1CCC1
CCN(CC)c1ccc(C=C2C(=O)NC(=S)N(C2=O)c2ccc(OC)cc2OC)o1 |w:9.8|
CC(C)(C)C(=O)N1CCN(CC1)c1ccnc2cc(Cl)ccc12
CCOc1cc(Br)cc(C=C2SC(Nc3ccccc3)=NC2=O)c1O |w:9.8,c:20|
CN(C)c1ccc(\C=C2/SC(=NC2=O)N2CCCCC2)cc1 |c:10|
CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc(-c3ccc(Oc4ccccc4)cc3)c(c2)C(=O)NCc2ccccc2)OC1(C)C
Cc1ccc(o1)C(=O)\C=C\c1cc(Br)cc(Br)c1O
CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCC(O)CNC(C)(C)C)cc12
CCOC(=O)N1CCN(CC1)c1ccnc2cc(Cl)ccc12
Oc1ccc(\C=C(\C#N)C(=O)NCc2ccc(Cl)cc2)cc1O
Brc1cccc(c1)C(=O)Nc1cccc(c1)C(=O)NN=Cc1cccnc1
[H]C12CC([H])(C=C1)C1C2C(=O)N(C1=O)c1cccc(c1)C(=O)N1CCN(CC1)c1cccc(C)c1C |c:5,TLB:12:7:2:6.5,THB:9:8:2:6.5|
OC(=O)c1ccccc1NS(=O)(=O)c1cccc(c1)-n1sc2ccccc2c1=O
Cc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccc(C)cc3)cc2)no1 |w:19.19|
CC(Oc1ccc2c3CCCCc3c(=O)oc2c1C)C(=O)NCc1ccncc1
Cc1c(CCC(=O)NCCCn2ccnc2)c(=O)oc2cc3oc4CCCCc4c3cc12
CC(Oc1ccc2c3CCCCc3c(=O)oc2c1)C(=O)NCc1ccncc1
CC(OC(=O)C(=C\c1ccc(cc1)N(C)C)\C#N)C(=O)N(C)Cc1ccccc1
CS(=O)(=O)c1ccc(N)c(SSc2cc(ccc2N)S(C)(=O)=O)c1
CCCCCN(C(=O)CCC(=O)OCC(=O)c1ccc(CCC)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O
CC(OC(=O)C(=C\c1ccc(cc1)N(C)C)\C#N)C(=O)N(C)c1ccccc1
CCc1sc(cc1C)C(=O)Nc1cccc(c1)-n1cnnn1
Clc1cccc(CSc2ccc(cn2)S(=O)(=O)N2CCCC2)c1
COc1cccc(NC(=O)COC(=O)\C=C\c2c(C)nn(c2C)-c2ccccc2)c1
OC(=O)c1cccc(c1)-n1sc2ccccc2c1=O
CC1CCN(CC1)c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)NC1CC1
[O-][n+]1ccc(cc1)C(=O)OCC(=O)N(CC=C)c1nc(cs1)-c1ccccc1
COc1cc(\C=C2/SC(=S)N(NC(C)=O)C2=O)ccc1OC(=O)c1ccco1
NC(=O)C1CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC(=O)NC(=O)\C=C\C(=O)N1 |r,t:47|
CCNC(=O)C1CCCNNC(=O)\C=C/C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@H](Cc2ccc(cc2)C(=O)c2ccccc2)C(=O)NCCCCN1 |r,c:13|
NC(=O)CC[C@@H]1NC(=O)\C=C/C(=O)NNCCCCC(NCCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC1=O)C(=O)COCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 |r,c:9|
NC(=O)CC[C@@H]1NC(=O)\C=C\C(=O)N[C@@H](CCCCNC(=O)CNC(=O)[C@H](CC2CCCCC2)NC1=O)C(N)=O |r,t:9|
NC(=N)NCCC[C@@H]1NC(=O)\C=C\C(=O)N[C@@H](CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC1=O)C(N)=O |r,t:11|
NC(=O)[C@@H]1CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC(=O)C[C@@H](O)[C@H](CC2CCCCC2)NC(=O)\C=C\C(=O)N1 |r,t:59|
NC(=O)[C@@H]1CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC(=O)C[C@@H](O)[C@H](CC2CCCCC2)NC(=O)\C=C\C(=O)N1 |r,w:57.60,t:59|
NC(=O)[C@@H]1CCCCNC(=O)CNC(=O)[C@H](CC2CCCCC2)NC(=O)C[C@@H](O)[C@H](CC2CCCCC2)NC(=O)\C=C\C(=O)N1 |r,t:42|
NC(=O)[C@@H]1CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CC2CC2)NC(=O)\C=C\C(=O)N1 |r,t:53|
NC(=O)CC[C@@H]1NC(=O)\C=C\C(=O)N[C@@H](CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC1=O)C(N)=O |r,t:9|
NC(=O)CC[C@@H]1NC(=O)OC2CCC(N2)OC(=O)N[C@@H](CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC1=O)C(N)=O |r|
NC(=O)CC[C@@H]1NC(=O)\C=C\C(=O)N[C@@H](CCCCNC(=O)C(Cc2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC1=O)C(N)=O |r,t:9|
NC(=O)CC[C@@H]1NC(=O)\C=C\C(=O)N[C@@H](CCCCNC(=O)C(Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC1=O)C(N)=O |r,t:9|
NC(=O)CC[C@@H]1NC(=O)\C=C\C(=O)N[C@@H](CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)C(Cc2ccccc2)NC1=O)C(N)=O |r,t:9|
CCCCC1NC(=O)[C@H](CCC(N)=O)NC(=O)\C=C\C(=O)N[C@@H](CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC1=O)C(N)=O |r,t:17|
CC(C)CC1NC(=O)[C@H](CCC(N)=O)NC(=O)\C=C\C(=O)N[C@@H](CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC1=O)C(N)=O |r,t:17|
CC(C)C(=O)N[C@H](Cc1ccc(cc1)C(=O)c1ccccc1)C(=O)NCCCC[C@H](NC(=O)\C=C\C(=O)N[C@@H](CCC(N)=O)C(N)=O)C(N)=O |r|
C[C@@H]1NC(=O)\C=C\C(=O)NC(CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC1=O)C(N)=O |r,t:5|
C[C@H]1NC(=O)\C=C\C(=O)NC(CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC1=O)C(N)=O |r,t:5|
NC(=O)C1CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC(=O)C(CO)NC(=O)\C=C\C(=O)N1 |r,t:50|
CC1(C)NC(=O)\C=C\C(=O)NC(CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC1=O)C(N)=O |r,t:6|
NC(=O)C1CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC(=O)CNC(=O)\C=C\C(=O)N1 |r,t:48|
NC(=O)C1CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC(=O)C(Cc2ccccc2)NC(=O)\C=C\C(=O)N1 |r,t:56|
NCCCC[C@@H]1NC(=O)\C=C\C(=O)NC(CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC1=O)C(N)=O |r,t:9|
NC(=O)C1CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC(=O)C(CCC(O)=O)NC(=O)\C=C\C(=O)N1 |r,t:53|
NC(=O)CC[C@@H]1NC(=O)\C=C/C(=O)NNCCCCC(NCCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC1=O)C(N)=O |r,c:9|
NC(=O)CC[C@@H]1NC(=O)\C=C/C(=O)NNCCCC(NCCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC1=O)C(N)=O |r,c:9|
NC(=O)CC[C@@H]1NC(=O)\C=C/C(=O)NNCCCCC(NCCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC1=O)C(O)=O |r,c:9|
NC(=O)CC[C@@H]1NC(=O)\C=C/C(=O)NNCCCCC(NCCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC1=O)C(=O)COCCOCCOOc1ccc2c(Oc3cc(O)ccc3C22OC(=O)c3ccccc23)c1 |r,c:9|
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCC(O)=O)C(=O)NCC(=O)NCC(=O)NCC(=O)N2CCC[C@@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(O)=O)C(=O)N1)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CS)C(=O)NCC(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(=O)NCC(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(=O)NCC(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCC(O)=O)C(=O)NCC(=O)NCC(=O)NCC(=O)N2CCC[C@@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(O)=O)C(=O)N1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(=O)NCC(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCC(O)=O)C(=O)NCC(=O)N2CCC[C@@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(O)=O)C(=O)N1)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CS)C(=O)NCC(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(=O)NCC(=O)N2CCC[C@@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(O)=O)C(=O)N1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(=O)NCC(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CS)C(=O)NCC(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
[H][C@]1(NC(=O)[C@@H](CCCN)NC(=O)[C@H](CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](Cc2ccccc2)NC1=O)NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CSC(=N1)[C@@H](N)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC |r,c:88|
c1ccc2cc(ccc2c1)C[C@H](CC(=O)NO)n3cc(nn3)CNC(=O)c4ccc(cc4)F
ONC(=O)C[C@@H](Cc1ccc2ccccc2c1)N1NNC(CNC(=O)c2ccc(F)cc2)=C1 |r,c:34|
c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
[H][C@@]12C[C@@]3([H])C(C(=O)c4c(O)cccc4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCN1CCCC1)=C(O)[C@H]2N(C)C |t:19,37|
COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[nH]2)c1C
O=c1n([se]c2ccccc12)-c1ccccc1
NCCCC[C@@H]1NC(=O)\C=C\C(=O)N[C@@H](CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC1=O)C(N)=O |r,t:9|
COC(=O)NC[C@@H](Cc1cc2ccccc2nc1)c3ccc(cc3)OCCCCCc4ccc(cc4)NC(=O)[C@H](C5CCCCC5)N6CCC[C@@H](C6=O)N
Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CSCC#N)OC)SC2)C(=O)O
CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C[N@](CCCc2ccccc2)CC(=O)O
NC(N)=NCCC[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r,wU:7.7,45.48,11.11,wD:31.32,(15.26,-7.72,;16.62,-8.43,;17.92,-7.6,;16.69,-9.97,;15.39,-10.79,;15.46,-12.33,;14.16,-13.16,;14.24,-14.7,;12.94,-15.53,;11.61,-14.76,;11.61,-13.22,;10.27,-15.53,;10.27,-17.07,;8.94,-17.84,;7.6,-17.07,;8.94,-19.38,;7.6,-20.16,;8.97,-14.76,;8.94,-13.22,;7.58,-12.47,;7.55,-10.93,;8.87,-10.13,;8.84,-8.59,;10.15,-7.8,;11.51,-8.53,;11.55,-10.08,;10.22,-10.88,;10.26,-12.42,;15.6,-15.4,;15.66,-16.95,;16.9,-14.58,;18.26,-15.29,;18.34,-16.83,;19.7,-17.53,;21.15,-17.03,;22.08,-18.26,;21.2,-19.52,;21.54,-21.02,;20.42,-22.07,;18.95,-21.62,;18.6,-20.12,;19.73,-19.07,;19.56,-14.46,;19.49,-12.92,;20.92,-15.17,;22.22,-14.34,;22.16,-12.8,;23.45,-11.98,;23.38,-10.44,;22.02,-9.73,;24.68,-9.61,;23.58,-15.05,;24.88,-14.22,;23.66,-16.59,)|
O=C(CCCc1cn(c2ccccc12)S(=O)(=O)c1cccs1)NCCCn1ccnc1
O=C(CCCc1c[nH]c2ccccc12)NCCCn1ccnc1
O=C(CCCc1cn(C(=O)c2cccs2)c2ccccc12)NCCCn1ccnc1
CS(=O)(=O)n1cc(CCCC(=O)NCCCn2ccnc2)c2ccccc12
O=C(CCCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1)NCCCn1ccnc1
Fc1ccccc1S(=O)(=O)n1cc(CCCC(=O)NCCCn2ccnc2)c2ccccc12
Fc1cccc(c1)S(=O)(=O)n1cc(CCCC(=O)NCCCn2ccnc2)c2ccccc12
Fc1ccc(cc1)S(=O)(=O)n1cc(CCCC(=O)NCCCn2ccnc2)c2ccccc12
O=C(CCCc1cn(c2ccccc12)S(=O)(=O)c1ccsc1)NCCCn1ccnc1
Cn1cnc(c1)S(=O)(=O)n1cc(CCCC(=O)NCCCn2ccnc2)c2ccccc12
O=C(CCCc1cn(c2ccccc12)S(=O)(=O)c1cccnc1)NCCCn1ccnc1
O=C(CCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1)NCCCn1ccnc1
O=C(CCCCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1)NCCCn1ccnc1
O=C(CCCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1)NCCCCn1ccnc1
CN(CCCn1ccnc1)C(=O)CCCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1
O=C(NCCCn1ccnc1)NCCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1
N[C@@H](Cc1cn(c2ccccc12)S(=O)(=O)c1ccccc1)C(=O)NCCCn1ccnc1 |r|
O=C(CCCC1C(=O)Nc2ccccc12)NCCCn1ccnc1
O=C(CCCc1cc2ccccc2n1S(=O)(=O)c1ccccc1)NCCCn1ccnc1
O=C(CCCc1nn(c2ccccc12)S(=O)(=O)c1ccccc1)NCCCn1ccnc1
c1ccc(cc1)C2=NNC(=S)N2CCC[C@@H](C(=O)O)N(Cc3c[nH]cn3)Cc4c[nH]cn4
OC(=O)[C@H](CCn1c(n[nH]c1=S)-c1ccccc1)N(Cc1c[nH]cn1)Cc1c[nH]cn1 |r|
c1ccc(cc1)C2=NNC(=S)N2CCC[C@@H](C(=O)O)N(Cc3ccccn3)Cc4ccccn4
Cc1[nH]cnc1CN(Cc1c[nH]cn1)[C@@H](CCCn1c(n[nH]c1=S)-c1ccccc1)C(O)=O |r|
OC(=O)[C@H](CCCn1c(n[nH]c1=S)-c1ccc2ccccc2c1)N(Cc1c[nH]cn1)Cc1c[nH]cn1 |r|
CC[C@@H](C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@@H](CC(O)=O)NC(=O)CC[C@@H](NC(=O)[C@@H](CCCN=C(N)N)NC1=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NO |r,wU:8.8,39.56,71.75,wD:29.31,19.20,4.3,2.2,43.45,57.59,82.86,(26.91,-23.81,;25.59,-23.02,;25.62,-21.49,;26.96,-20.73,;24.29,-20.69,;24.33,-19.15,;25.67,-18.41,;26.99,-19.19,;25.69,-16.86,;24.37,-16.07,;23.02,-16.83,;21.71,-16.03,;20.37,-16.78,;20.34,-18.32,;21.66,-19.11,;23,-18.36,;27.04,-16.12,;28.35,-16.9,;28.34,-18.45,;29.7,-16.16,;31.02,-16.95,;32.36,-16.2,;33.6,-17.12,;34.86,-16.23,;34.4,-14.77,;32.94,-14.55,;29.73,-14.62,;28.4,-13.82,;27.06,-14.58,;28.43,-12.29,;29.77,-11.54,;29.8,-10,;31.15,-9.25,;28.48,-9.21,;27.11,-11.5,;16.32,-19.03,;15,-18.24,;16.3,-20.57,;17.62,-21.36,;17.6,-22.9,;18.91,-23.69,;20.27,-22.94,;20.28,-21.4,;21.58,-23.73,;21.56,-25.27,;20.22,-26.02,;20.19,-27.56,;18.85,-28.31,;18.83,-29.84,;20.14,-30.63,;17.47,-30.59,;22.93,-22.98,;22.95,-21.44,;21.63,-20.65,;16.25,-23.65,;16.23,-25.19,;14.93,-22.86,;13.59,-23.6,;13.6,-25.16,;12.25,-25.91,;10.87,-25.31,;9.83,-26.44,;10.57,-27.78,;10.08,-29.24,;11.09,-30.39,;12.6,-30.1,;13.11,-28.64,;12.09,-27.48,;12.26,-22.81,;12.28,-21.28,;10.92,-23.57,;9.6,-22.77,;9.63,-21.23,;8.3,-20.44,;8.33,-18.9,;7.01,-18.11,;7.03,-16.58,;8.37,-15.83,;5.7,-15.78,;8.25,-23.52,;8.23,-25.06,;6.93,-22.73,;5.59,-23.48,;5.57,-25.02,;4.22,-25.77,;2.91,-24.98,;1.55,-25.73,;1.53,-27.27,;.19,-28.02,;.16,-29.56,;1.48,-30.34,;2.84,-29.6,;2.86,-28.05,;4.2,-27.31,;4.26,-22.69,;4.29,-21.15,;2.92,-23.44,;1.6,-22.65,)|
CC(=O)N[C@@H](CCC(=O)NCCNc1cccc2c(cccc12)S(O)(=O)=O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N([C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NO)C(=O)c1ccccc1 |r|
[#7]-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#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]-c1ccc2ccccc2c1)-[#6](=O)-[#7]-[#8] |r|
N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NO |r,wU:10.9,35.36,wD:1.0,24.25,(4.44,-15.99,;5.76,-15.2,;5.74,-13.65,;7.07,-12.86,;7.04,-11.33,;5.7,-10.58,;8.36,-10.54,;7.11,-15.95,;7.14,-17.49,;8.43,-15.16,;9.78,-15.91,;9.8,-17.45,;11.15,-18.2,;12.55,-17.55,;13.59,-18.68,;12.85,-20.03,;13.34,-21.48,;12.33,-22.64,;10.81,-22.34,;10.32,-20.89,;11.34,-19.72,;11.11,-15.11,;11.08,-13.58,;12.45,-15.87,;13.77,-15.08,;13.75,-13.54,;15.07,-12.75,;15.05,-11.2,;16.37,-10.41,;16.35,-8.88,;15,-8.12,;17.67,-8.09,;15.12,-15.82,;15.14,-17.36,;16.44,-15.03,;17.78,-15.78,;17.8,-17.32,;19.14,-18.06,;20.45,-17.28,;21.8,-18.02,;21.82,-19.56,;23.16,-20.3,;23.18,-21.83,;21.86,-22.63,;20.52,-21.87,;20.5,-20.34,;19.16,-19.6,;19.1,-14.99,;20.44,-15.74,;19.08,-13.46,;20.39,-12.67,)|
[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](=O)-[#7]-[#8])-[#6]-c1ccc2ccccc2c1)-[#6](=O)-[#8]-[#6]-[#6]=[#6] |r|
NC(N)=NCCC[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)[C@@H](O)C(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r,wU:7.7,46.49,11.10,23.25,wD:32.33,(39.49,-27.52,;40.85,-28.23,;42.15,-27.4,;40.92,-29.77,;39.62,-30.59,;39.69,-32.13,;38.39,-32.96,;38.47,-34.5,;37.17,-35.33,;35.84,-34.56,;35.84,-33.02,;34.5,-35.33,;33.2,-34.56,;33.17,-33.02,;31.81,-32.27,;31.78,-30.73,;33.1,-29.93,;33.07,-28.39,;34.38,-27.6,;35.74,-28.33,;35.78,-29.87,;34.45,-30.68,;34.49,-32.22,;34.5,-36.87,;35.83,-37.64,;33.17,-37.64,;31.83,-36.87,;33.17,-39.18,;31.83,-39.96,;39.83,-35.2,;39.89,-36.74,;41.13,-34.38,;42.49,-35.09,;42.56,-36.63,;43.93,-37.33,;45.38,-36.83,;46.31,-38.06,;45.43,-39.32,;45.77,-40.82,;44.65,-41.87,;43.18,-41.42,;42.83,-39.92,;43.96,-38.87,;43.79,-34.26,;43.72,-32.72,;45.15,-34.97,;46.45,-34.14,;46.39,-32.6,;47.68,-31.78,;47.61,-30.24,;46.25,-29.52,;48.91,-29.41,;47.81,-34.85,;49.11,-34.02,;47.89,-36.39,)|
NC(N)=NCCC[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)[C@H](O)C(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r,wU:7.7,46.49,11.10,wD:32.33,23.25,(13.82,-27.05,;15.18,-27.77,;16.48,-26.94,;15.24,-29.3,;13.95,-30.13,;14.02,-31.67,;12.72,-32.49,;12.79,-34.03,;11.5,-34.86,;10.17,-34.09,;10.17,-32.55,;8.83,-34.87,;7.53,-34.09,;7.5,-32.55,;6.14,-31.8,;6.11,-30.26,;7.43,-29.47,;7.4,-27.93,;8.71,-27.13,;10.07,-27.87,;10.11,-29.41,;8.78,-30.21,;8.82,-31.75,;8.83,-36.41,;10.16,-37.18,;7.49,-37.17,;6.16,-36.41,;7.49,-38.72,;6.16,-39.49,;14.16,-34.74,;14.22,-36.28,;15.45,-33.91,;16.82,-34.62,;16.89,-36.16,;18.25,-36.87,;19.71,-36.36,;20.64,-37.59,;19.75,-38.85,;20.1,-40.35,;18.98,-41.4,;17.51,-40.96,;17.16,-39.45,;18.28,-38.41,;18.12,-33.79,;18.04,-32.26,;19.48,-34.51,;20.78,-33.67,;20.71,-32.14,;22.01,-31.31,;21.94,-29.77,;20.57,-29.06,;23.24,-28.94,;22.14,-34.38,;23.44,-33.56,;22.22,-35.92,)|
[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](=O)-[#7]-[#8])-[#6]-c1ccc2ccccc2c1)-[#6](=O)-[#8]-[#6]-[#6]=[#6] |r|
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#6@H](-[#8])-[#6](=O)-[#7]-[#8])-[#6](-[#7])=O |r|
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](=O)-[#7]-[#8])-[#6]-c1ccc2ccccc2c1)-[#6](-[#7])=O |r|
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](=O)-[#7]-[#8])-[#6]-c1ccc2ccccc2c1)-[#6](-[#7])=O |r|
[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#6@@H](-[#8])-[#6](=O)-[#7]-[#8])-[#6](-[#7])=O |r|
NC(N)=NCCC[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)[C@@H](O)C(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:7.7,11.10,23.25,wD:32.33,(30.16,-40.23,;31.52,-40.94,;32.82,-40.11,;31.59,-42.48,;30.3,-43.3,;30.36,-44.84,;29.07,-45.67,;29.14,-47.21,;27.84,-48.04,;26.51,-47.27,;26.51,-45.73,;25.18,-48.04,;23.87,-47.27,;23.84,-45.73,;22.48,-44.98,;22.46,-43.44,;23.77,-42.64,;23.74,-41.1,;25.06,-40.31,;26.42,-41.04,;26.45,-42.59,;25.13,-43.39,;25.16,-44.93,;25.18,-49.58,;26.5,-50.35,;23.84,-50.35,;22.5,-49.58,;23.84,-51.89,;22.5,-52.67,;30.5,-47.91,;30.57,-49.45,;31.8,-47.09,;33.16,-47.8,;33.24,-49.34,;34.6,-50.04,;36.05,-49.54,;36.98,-50.77,;36.1,-52.03,;36.45,-53.53,;35.32,-54.58,;33.85,-54.13,;33.5,-52.63,;34.63,-51.58,;34.46,-46.97,;35.83,-47.68,;34.39,-45.43,)|
[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc2ccccc2c1)-[#6@H](-[#8])-[#6](=O)-[#7]-[#8])-[#6](-[#7])=O |r|
NC(N)=NCCC[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)[C@H](O)C(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:7.7,11.10,wD:32.33,23.25,(34.92,-22.98,;36.29,-23.69,;37.59,-22.86,;36.35,-25.23,;35.06,-26.05,;35.13,-27.59,;33.83,-28.42,;33.9,-29.96,;32.6,-30.79,;31.28,-30.02,;31.28,-28.48,;29.94,-30.79,;28.63,-30.02,;28.6,-28.48,;27.25,-27.73,;27.22,-26.19,;28.54,-25.39,;28.5,-23.85,;29.82,-23.06,;31.18,-23.79,;31.22,-25.33,;29.89,-26.14,;29.92,-27.68,;29.94,-32.33,;31.27,-33.1,;28.6,-33.1,;27.27,-32.33,;28.6,-34.64,;27.27,-35.42,;35.26,-30.66,;35.33,-32.2,;36.56,-29.84,;37.93,-30.55,;38,-32.09,;39.36,-32.79,;40.81,-32.29,;41.74,-33.52,;40.86,-34.78,;41.21,-36.28,;40.09,-37.33,;38.62,-36.88,;38.27,-35.38,;39.39,-34.33,;39.23,-29.72,;40.59,-30.43,;39.15,-28.18,)|
[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](=O)-[#7]-[#8])-[#6]-c1ccc2ccccc2c1)-[#6](-[#7])=O |r|
NC(N)=NCCC[C@H](NC(=O)[C@H](CC(=O)NO)Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r,wU:7.7,45.48,wD:31.32,11.11,(30.28,-3.68,;31.64,-4.4,;32.94,-3.57,;31.71,-5.93,;30.42,-6.76,;30.48,-8.3,;29.18,-9.12,;29.26,-10.66,;27.96,-11.49,;26.63,-10.72,;26.63,-9.18,;25.29,-11.5,;25.29,-13.04,;23.96,-13.81,;22.62,-13.04,;23.96,-15.35,;22.62,-16.12,;23.99,-10.72,;23.96,-9.18,;22.6,-8.43,;22.57,-6.89,;23.89,-6.1,;23.86,-4.56,;25.17,-3.76,;26.53,-4.5,;26.57,-6.04,;25.25,-6.84,;25.28,-8.38,;30.62,-11.37,;30.69,-12.91,;31.92,-10.54,;33.28,-11.25,;33.36,-12.79,;34.72,-13.5,;36.17,-12.99,;37.1,-14.22,;36.22,-15.48,;36.57,-16.99,;35.44,-18.03,;33.97,-17.59,;33.62,-16.09,;34.75,-15.04,;34.58,-10.43,;34.51,-8.89,;35.95,-11.14,;37.24,-10.3,;37.18,-8.77,;38.48,-7.94,;38.4,-6.4,;37.04,-5.69,;39.7,-5.57,;38.61,-11.02,;39.9,-10.19,;38.68,-12.55,)|
[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](=O)-[#7]-[#8])-[#6]-c1ccc2ccccc2c1)-[#6](-[#7])=O |r|
CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)[C@H](CC(=O)NO)Cc1ccc2ccccc2c1 |r,wU:4.3,27.28,37.38,wD:13.12,(33.53,-12.27,;33.55,-13.81,;32.23,-14.6,;34.89,-14.56,;36.21,-13.77,;36.19,-12.23,;37.52,-11.44,;37.5,-9.9,;36.15,-9.14,;38.82,-9.11,;37.56,-14.53,;37.58,-16.07,;38.88,-13.74,;40.23,-14.49,;40.25,-16.03,;41.5,-16.94,;42.97,-16.48,;43.86,-17.74,;42.94,-18.98,;43.25,-20.49,;42.1,-21.52,;40.64,-21.02,;40.32,-19.52,;41.48,-18.49,;41.56,-13.7,;41.54,-12.16,;42.9,-14.45,;44.23,-13.67,;44.21,-12.12,;45.53,-11.33,;45.52,-9.79,;44.17,-9.03,;42.85,-9.82,;42.88,-11.37,;41.5,-9.08,;45.57,-14.42,;45.6,-15.96,;46.89,-13.63,;48.24,-14.37,;48.26,-15.91,;46.94,-16.7,;49.6,-16.66,;49.63,-18.2,;46.87,-12.09,;48.19,-11.3,;49.53,-12.05,;50.84,-11.27,;50.82,-9.72,;52.13,-8.93,;52.1,-7.39,;50.74,-6.65,;49.44,-7.45,;49.47,-8.98,;48.16,-9.77,)|
COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN(CC(O)=O)Cc1ccccc1 |r|
COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN(CCc1ccccc1)CC(O)=O |r|
COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN(CCCc1ccccc1)CC(O)=O |r|
CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN(CC(O)=O)Cc1ccccc1 |r|
COC(=O)[C@H](Cc1ccccc1)NC(=O)CN(CC(O)=O)Cc1ccccc1 |r|
COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN(CC(O)=O)C(=O)c1ccccc1 |r|
CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN(CCCc1ccccc1)CC(=O)OC |r|