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Tc-43
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Nav1.7_VSD4_NonAnionic_Designs_8I5G

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chemistry
biology
drug-discovery
molecular-docking
protein-ligand-complex
pocket-conditioned
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Nav1.7_VSD4_NonAnionic_Designs_8I5G / designs.csv
Tc-43's picture
Tc-43
Nav1.7 VSD4 non-anionic de novo designs (459, GA-II, 8I5G)
9f3dfb4 verified
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155 kB
design_id,smiles,vina_score,ligand_efficiency,formal_charge,is_anionic,n_acidic_groups,has_sulfonamide,mw,clogp,tpsa,hbd,hba,rotb,fsp3,qed,heavy_atoms,n_contact_residues,contact_residues,murcko_scaffold
57_8I5G_II260818113747873600327a,Nc1ncn(Cc2ccnc3c(Cc4noc(C5CC=CC5)n4)cccc23)c(=O)n1,-14.5,0.483,0,0,0,0,401.43,2.22,125.6,1,9,5,0.238,0.505,30,18,GLN1541;GLU1545;TYR1548;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(Cc3noc(C4CC=CC4)n3)cccc12
57_8I5G_II260818113747873600446a,CC1(C(=O)Cc2cccc3c(Cn4cnc(N)nc4=O)ccnc23)CCC(=O)O1,-14.5,0.5,0,0,0,0,393.4,1.02,130.1,1,9,5,0.3,0.636,29,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=C1CCC(C(=O)Cc2cccc3c(Cn4cncnc4=O)ccnc23)O1
57_8I5G_II260818113747873600463a,Nc1ncn(Cc2ccnc3c(C[NH+]4CCCC45CCC5)cccc23)c(=O)n1,-14.2,0.507,1,0,0,0,377.47,0.92,91.1,2,6,4,0.429,0.706,28,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C[NH+]3CCCC34CCC4)cccc12
57_8I5G_II260818113747873600702a,CC(C)C(CC1CCC1)[NH2+]c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.2,0.49,1,0,0,0,393.52,2.23,103.3,2,6,7,0.455,0.599,29,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c([NH2+]CCC3CCC3)cccc12
57_8I5G_II260818113747873600935a,CCCc1ncc(CO)c(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)n1,-14.5,0.483,0,0,0,0,403.45,1.72,132.7,2,9,6,0.238,0.497,30,19,GLN1541;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccncn3)cccc12
57_8I5G_II260818113747873600956a,CC1(C)CC1c1nnc(Cc2cccc3c(Cn4cnc(N)nc4=O)ccnc23)o1,-14.1,0.47,0,0,0,0,403.45,2.3,125.6,1,9,5,0.333,0.538,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(Cc3nnc(C4CC4)o3)cccc12
57_8I5G_II260818113747873601769a,Nc1ncn(Cc2ccnc3c(C[NH+]4CCC4c4cccs4)cccc23)c(=O)n1,-14.4,0.497,1,0,0,0,405.51,1.41,91.1,2,7,5,0.238,0.524,29,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C[NH+]3CCC3c3cccs3)cccc12
57_8I5G_II260818113747873601949a,Nc1ncn(Cc2ccnc3c(-c4cccc(C[NH2+]C5CC5)c4)cccc23)c(=O)n1,-15.0,0.5,1,0,0,0,399.48,1.71,103.3,2,6,6,0.217,0.514,30,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cccc(C[NH2+]C4CC4)c3)cccc12
57_8I5G_II260818113747873602020a,Nc1ncn(Cc2ccnc3c(-c4cnn(CC5CCCC5)c4)cccc23)c(=O)n1,-14.5,0.483,0,0,0,0,401.47,2.87,104.5,1,8,5,0.318,0.551,30,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cnn(CC4CCCC4)c3)cccc12
57_8I5G_II260818113747873602024a,Nc1ncn(Cc2ccnc3c(C(=O)C4CC(=O)N(C5CC5)C4)cccc23)c(=O)n1,-14.1,0.47,0,0,0,0,404.43,1.01,124.1,1,8,5,0.333,0.629,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=C(c1cccc2c(Cn3cncnc3=O)ccnc12)C1CC(=O)N(C2CC2)C1
57_8I5G_II260818113747873602152a,Nc1ncn(Cc2ccnc3c(Cc4ccnn4C4CCCC4)cccc23)c(=O)n1,-14.5,0.483,0,0,0,0,401.47,2.72,104.5,1,8,5,0.318,0.551,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(Cc3ccnn3C3CCCC3)cccc12
57_8I5G_II260818113747873602341a,Nc1ncn(Cc2ccnc3c(-c4cc(C5CCC[NH2+]5)ccn4)cccc23)c(=O)n1,-14.7,0.49,1,0,0,0,400.47,1.28,116.2,2,7,4,0.227,0.533,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cc(C4CCC[NH2+]4)ccn3)cccc12
57_8I5G_II260818113747873602480a,CC(C)C([NH2+]C1CCOCC1)c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.5,0.483,1,0,0,0,409.51,1.26,112.5,2,7,6,0.455,0.634,30,19,GLN1541;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C[NH2+]C3CCOCC3)cccc12
57_8I5G_II260818113747873602508a,Nc1ncn(Cc2ccnc3c(-c4ccc(C(O)C5CC5)cc4)cccc23)c(=O)n1,-14.0,0.467,0,0,0,0,399.45,2.93,106.9,2,7,5,0.217,0.534,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccc(CC4CC4)cc3)cccc12
57_8I5G_II260818113747873602583a,Nc1ncn(Cc2ccnc3c(-c4ccnc(C5CCCO5)n4)cccc23)c(=O)n1,-14.4,0.48,0,0,0,0,401.43,2.13,121.7,1,9,4,0.238,0.552,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccnc(C4CCCO4)n3)cccc12
57_8I5G_II260818113747873602694b,Nc1ncn(Cc2ccnc3c(C4CC5CC4C4C(C(=O)[O-])C54)cccc23)c(=O)n1,-14.0,0.467,-1,1,1,0,402.43,0.55,126.8,1,8,4,0.409,0.675,30,17,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C3CC4CC3C3CC43)cccc12
57_8I5G_II260818113747873602925a,Nc1ncn(Cc2ccnc3c(C4CCCC(C(F)(F)F)C4)cccc23)c(=O)n1,-14.0,0.483,0,0,0,0,403.41,3.65,86.7,1,6,3,0.4,0.721,29,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C3CCCCC3)cccc12
57_8I5G_II260818113747873602991a,CC(C)NC(=O)NC(C)Cc1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.1,0.486,0,0,0,0,395.47,1.46,127.8,3,7,6,0.35,0.58,29,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;THR1601;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2ccccc12
57_8I5G_II260818113747873603162a,CC12CC(CN1C(=O)NCc1cccc3c(Cn4cnc(N)nc4=O)ccnc13)C2,-14.1,0.47,0,0,0,0,405.46,1.51,119.0,2,7,4,0.381,0.679,30,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;THR1601;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=C(NCc1cccc2c(Cn3cncnc3=O)ccnc12)N1CC2CC1C2
57_8I5G_II260818113747873603887a,Nc1ncn(Cc2ccnc3c(CC[NH+]4Cc5ccccc5C4)cccc23)c(=O)n1,-14.2,0.473,1,0,0,0,399.48,0.96,91.1,2,6,5,0.217,0.522,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC[NH+]3Cc4ccccc4C3)cccc12
57_8I5G_II260818113747873604103a,CCOc1ccc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c(CC)c1,-14.6,0.487,0,0,0,0,401.47,3.45,95.9,1,7,6,0.217,0.532,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccccc3)cccc12
57_8I5G_II260818113747873604119a,C=CCC1(c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)CCCC1,-14.2,0.526,0,0,0,0,361.45,3.2,86.7,1,6,5,0.333,0.705,27,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C3CCCC3)cccc12
57_8I5G_II260818113747873604127a,Nc1ncn(Cc2ccnc3c(C45CCC(C4)c4ccccc45)cccc23)c(=O)n1,-15.1,0.503,0,0,0,0,395.47,3.38,86.7,1,6,3,0.25,0.575,30,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C34CCC(C3)c3ccccc34)cccc12
57_8I5G_II260818113747873604270a,Nc1ncn(Cc2ccnc3c(Cc4ccnc([NH2+]C5CC5)c4)cccc23)c(=O)n1,-14.2,0.473,1,0,0,0,400.47,1.16,116.2,2,7,6,0.227,0.502,30,20,GLN1541;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(Cc3ccnc([NH2+]C4CC4)c3)cccc12
57_8I5G_II260818113747873604448a,CC(C)NC(=O)Cc1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.1,0.542,0,0,0,0,352.4,0.88,115.8,2,7,5,0.278,0.704,26,18,GLN1541;GLU1545;TYR1548;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2ccccc12
57_8I5G_II260818113747873604547a,CC(C)n1nc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)cc1N,-14.0,0.5,0,0,0,0,376.42,1.84,130.5,2,9,4,0.211,0.555,28,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cc[nH]n3)cccc12
57_8I5G_II260818113747873604809a,CC[NH+](c1cccc2c(Cn3cnc(N)nc3=O)ccnc12)C1CC2CCC1C2,-14.6,0.503,1,0,0,0,391.5,1.54,91.1,2,6,5,0.455,0.688,29,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c([NH2+]C3CC4CCC3C4)cccc12
57_8I5G_II260818113747873605025a,Cc1cc(C)c(C)c(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c1C,-14.1,0.486,0,0,0,0,385.47,3.72,86.7,1,6,3,0.217,0.581,29,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccccc3)cccc12
57_8I5G_II260818113747873605106a,CC(CO)[NH2+]C(c1cccc2c(Cn3cnc(N)nc3=O)ccnc12)C(C)C,-14.5,0.518,1,0,0,0,383.48,0.46,123.5,3,7,7,0.4,0.544,28,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2ccccc12
57_8I5G_II260818113747873605297a,COc1ccc2c(c1-c1cccc3c(Cn4cnc(N)nc4=O)ccnc13)CCC2,-15.3,0.51,0,0,0,0,399.45,2.98,95.9,1,7,4,0.217,0.567,30,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cccc4c3CCC4)cccc12
57_8I5G_II260818113747873605307a,CC(C)CC1CC(c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)C[NH+](C)C1,-14.1,0.47,1,0,0,0,407.54,1.48,91.1,2,6,5,0.478,0.669,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C3CCC[NH2+]C3)cccc12
57_8I5G_II260818113747873605386a,Nc1ncn(Cc2ccnc3c(-c4ccc(OC5CCC5)cn4)cccc23)c(=O)n1,-14.0,0.467,0,0,0,0,400.44,2.81,108.8,1,8,5,0.227,0.549,30,17,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccc(OC4CCC4)cn3)cccc12
57_8I5G_II260818113747873605536a,CC1[NH2+]Cc2ncnc(-c3cccc4c(Cn5cnc(N)nc5=O)ccnc34)c21,-14.1,0.486,1,0,0,0,387.43,0.41,129.1,2,8,3,0.2,0.521,29,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ncnc4c3C[NH2+]C4)cccc12
57_8I5G_II260818113747873605870a,CC(C)OC1C[NH2+]CCC1c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.1,0.486,1,0,0,0,395.49,0.66,112.5,2,7,5,0.429,0.656,29,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C3CC[NH2+]CC3)cccc12
57_8I5G_II260818113747873606467a,CCCc1nc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)sc1CC,-14.0,0.483,0,0,0,0,406.52,3.46,99.6,1,8,6,0.286,0.526,29,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3nccs3)cccc12
57_8I5G_II260818113747873606886a,CCCCC(c1ccccn1)c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.1,0.47,0,0,0,0,400.49,3.53,99.6,1,7,7,0.261,0.509,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(Cc3ccccn3)cccc12
57_8I5G_II260818113747873607067a,CC(C)(C)C1CC[NH2+]C(c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)C1,-14.4,0.497,1,0,0,0,393.52,1.88,103.3,2,6,3,0.455,0.707,29,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C3CCCC[NH2+]3)cccc12
57_8I5G_II260818113747873607573a,CCCc1cccc(Cc2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c1,-14.2,0.49,0,0,0,0,385.47,3.36,86.7,1,6,6,0.217,0.55,29,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;THR1601;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(Cc3ccccc3)cccc12
57_8I5G_II260818113747873607859a,Nc1ncn(Cc2ccnc3c([NH2+]C4CC5CCCC(C4)C5[NH3+])cccc23)c(=O)n1,-14.4,0.48,2,0,0,0,407.52,0.2,130.9,3,6,4,0.455,0.532,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c([NH2+]C3CC4CCCC(C4)C3)cccc12
57_8I5G_II260818113747873608272a,CC#CC(O)(c1cccc2c(Cn3cnc(N)nc3=O)ccnc12)C1CCCCC1,-14.1,0.47,0,0,0,0,403.49,2.61,106.9,2,7,4,0.391,0.649,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC3CCCCC3)cccc12
57_8I5G_II260818113747873608401a,CCc1nn(C)c(CC)c1-c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.6,0.503,0,0,0,0,389.46,2.34,104.5,1,8,5,0.286,0.562,29,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cn[nH]c3)cccc12
57_8I5G_II260818113747873608573a,CCc1cc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c(Br)c(CC)n1,-15.1,0.503,0,0,0,0,465.36,3.77,99.6,1,7,5,0.227,0.482,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccncc3)cccc12
57_8I5G_II260818113747873608603a,Nc1ncn(Cc2ccnc3c(CC4CC5CCC4C5)cccc23)c(=O)n1,-14.5,0.537,0,0,0,0,361.45,2.8,86.7,1,6,4,0.429,0.772,27,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC3CC4CCC3C4)cccc12
57_8I5G_II260818113747873608854a,Nc1ncn(Cc2ccnc3c(C(=O)C4CC5(CC[NH2+]CC5)C4)cccc23)c(=O)n1,-14.7,0.49,1,0,0,0,405.48,0.75,120.4,2,7,4,0.409,0.618,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=C(c1cccc2c(Cn3cncnc3=O)ccnc12)C1CC2(CC[NH2+]CC2)C1
57_8I5G_II260818113747873608859a,Nc1ncn(Cc2ccnc3c(C(C4CC(F)C4)C4CC(F)C4)cccc23)c(=O)n1,-14.2,0.473,0,0,0,0,411.46,3.4,86.7,1,6,5,0.455,0.695,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C(C3CCC3)C3CCC3)cccc12
57_8I5G_II260818113747873609045a,CC(C)(C)c1cc(N)cc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c1,-15.0,0.5,0,0,0,0,400.49,3.36,112.7,2,7,3,0.217,0.51,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccccc3)cccc12
57_8I5G_II260818113747873609045b,CC(C)(C)c1cc(N)cc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c1,-14.9,0.497,0,0,0,0,400.49,3.36,112.7,2,7,3,0.217,0.51,30,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccccc3)cccc12
57_8I5G_II260818113747873609091a,Cc1nc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)nc(C2CC2)c1Cl,-14.2,0.473,0,0,0,0,419.88,3.11,112.5,1,8,4,0.238,0.54,30,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3nccc(C4CC4)n3)cccc12
57_8I5G_II260818113747873609374a,Nc1ncn(Cc2ccnc3c(-c4ncnc5c4CCC5)cccc23)c(=O)n1,-14.0,0.5,0,0,0,0,371.4,1.76,112.5,1,8,3,0.2,0.584,28,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ncnc4c3CCC4)cccc12
57_8I5G_II260818113747873609585a,C#CCC1C[NH2+]C(c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)C1,-14.2,0.526,1,0,0,0,361.43,0.46,103.3,2,6,4,0.3,0.657,27,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C3CCC[NH2+]3)cccc12
57_8I5G_II260818113747873609745a,Nc1ncn(Cc2ccnc3c(C(c4cccs4)C4CC(O)C4)cccc23)c(=O)n1,-15.1,0.503,0,0,0,0,419.51,2.78,106.9,2,8,5,0.273,0.515,30,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C(c3cccs3)C3CCC3)cccc12
57_8I5G_II260818113747873610365a,Cc1ccc(CCCc2cccc3c(Cn4cnc(N)nc4=O)ccnc23)cc1C,-14.9,0.497,0,0,0,0,399.5,3.61,86.7,1,6,6,0.25,0.535,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CCCc3ccccc3)cccc12
57_8I5G_II260818113747873610674a,CCC(C)(CC)C(=O)c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.1,0.522,0,0,0,0,365.44,2.83,103.8,1,7,6,0.35,0.674,27,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2ccccc12
57_8I5G_II260818113747873610816a,NC(=O)C(Cc1cccc2c(Cn3cnc(N)nc3=O)ccnc12)C1CCCCC1,-14.5,0.483,0,0,0,0,406.49,2.04,129.8,2,7,6,0.409,0.644,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CCC3CCCCC3)cccc12
57_8I5G_II260818113747873611264a,Nc1ncn(Cc2ccnc3c(Cc4ccnn4CC4CC4)cccc23)c(=O)n1,-14.6,0.503,0,0,0,0,387.45,2.01,104.5,1,8,6,0.286,0.543,29,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(Cc3ccnn3CC3CC3)cccc12
57_8I5G_II260818113747873611297a,Nc1ncn(Cc2ccnc3c(-c4ccc(C5CCCCO5)o4)cccc23)c(=O)n1,-14.3,0.477,0,0,0,0,403.44,3.32,109.1,1,8,4,0.273,0.557,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccc(C4CCCCO4)o3)cccc12
57_8I5G_II260818113747873611382a,CCC(=O)C(c1cccc2c(Cn3cnc(N)nc3=O)ccnc12)C(C)CC,-14.0,0.5,0,0,0,0,379.46,2.93,103.8,1,7,7,0.381,0.677,28,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2ccccc12
57_8I5G_II260818113747873611451a,Nc1ncn(Cc2ccnc3c(-c4nc(C5CC[NH2+]CC5)co4)cccc23)c(=O)n1,-14.4,0.48,1,0,0,0,404.45,0.91,129.3,2,8,4,0.286,0.517,30,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;THR1601;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3nc(C4CC[NH2+]CC4)co3)cccc12
57_8I5G_II260818113747873611782a,CC1(C)Cc2ccc(-c3cccc4c(Cn5cnc(N)nc5=O)ccnc34)cc2O1,-14.1,0.47,0,0,0,0,399.45,3.2,95.9,1,7,3,0.217,0.568,30,17,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccc4c(c3)OCC4)cccc12
57_8I5G_II260818113747873611999a,Nc1ncn(Cc2ccnc3c(-c4ccc(C[NH2+]C5CC5)o4)cccc23)c(=O)n1,-14.3,0.493,1,0,0,0,389.44,1.3,116.4,2,7,6,0.238,0.513,29,19,GLU1545;TYR1548;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;THR1601;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccc(C[NH2+]C4CC4)o3)cccc12
57_8I5G_II260818113747873612129a,Cc1nn(CC2CC2)c(C)c1-c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.5,0.483,0,0,0,0,401.47,2.71,104.5,1,8,5,0.318,0.551,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cnn(CC4CC4)c3)cccc12
57_8I5G_II260818113747873612220a,CC1(C)C(O)CC1Oc1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.1,0.522,0,0,0,0,367.41,1.36,116.1,2,8,4,0.368,0.715,27,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(OC3CCC3)cccc12
57_8I5G_II260818113747873612258a,COc1ncc(C(C)C)cc1-c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.6,0.487,0,0,0,0,402.46,3.01,108.8,1,8,5,0.227,0.546,30,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cccnc3)cccc12
57_8I5G_II260818113747873612285a,Nc1ncn(Cc2ccnc3c(CC#CCN4CCNC4=O)cccc23)c(=O)n1,-14.2,0.49,0,0,0,0,389.42,0.39,119.0,2,7,4,0.25,0.623,29,19,GLN1541;GLU1545;TYR1548;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;THR1601;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=C1NCCN1CC#CCc1cccc2c(Cn3cncnc3=O)ccnc12
57_8I5G_II260818113747873612390a,CCC(C)c1cccc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c1,-15.0,0.517,0,0,0,0,385.47,4.0,86.7,1,6,5,0.217,0.561,29,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccccc3)cccc12
57_8I5G_II260818113747873612615a,COC1CCC(CCc2cccc3c(Cn4cnc(N)nc4=O)ccnc23)CC1,-14.0,0.483,0,0,0,0,393.49,2.95,95.9,1,7,6,0.455,0.692,29,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CCC3CCCCC3)cccc12
57_8I5G_II260818113747873612637a,Nc1ncn(Cc2ccnc3c(Cc4cccc(C5CC5)n4)cccc23)c(=O)n1,-14.1,0.486,0,0,0,0,384.44,2.68,99.6,1,7,5,0.227,0.568,29,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(Cc3cccc(C4CC4)n3)cccc12
57_8I5G_II260818113747873612656a,CC(NC(=O)NCc1cccc2c(Cn3cnc(N)nc3=O)ccnc12)C1CCC1,-14.1,0.47,0,0,0,0,407.48,1.8,127.8,3,7,6,0.381,0.572,30,19,GLN1541;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=C(NCc1cccc2c(Cn3cncnc3=O)ccnc12)NCC1CCC1
57_8I5G_II260818113747873612813a,C#CC[NH+]1CCCCC1c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.5,0.518,1,0,0,0,375.46,0.56,91.1,2,6,4,0.333,0.65,28,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C3CCCC[NH2+]3)cccc12
57_8I5G_II260818113747873613079a,CC1(C)C2CCC(C2)C1CCc1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.6,0.487,0,0,0,0,403.53,3.82,86.7,1,6,5,0.5,0.7,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CCC3CC4CCC3C4)cccc12
57_8I5G_II260818113747873613671a,CCC([NH2+]c1cccc2c(Cn3cnc(N)nc3=O)ccnc12)C1CC1C,-14.4,0.533,1,0,0,0,365.46,1.45,103.3,2,6,6,0.4,0.644,27,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c([NH2+]CC3CC3)cccc12
57_8I5G_II260818113747873614496a,Cc1noc(C)c1C(C)[NH2+]Cc1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.2,0.473,1,0,0,0,406.47,1.25,129.3,2,8,6,0.286,0.493,30,20,GLN1541;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C[NH2+]Cc3cnoc3)cccc12
57_8I5G_II260818113747873614512a,CC([NH2+]C1CCCC1)C(=O)c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.0,0.483,1,0,0,0,393.47,0.89,120.4,2,7,6,0.381,0.6,29,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=C(C[NH2+]C1CCCC1)c1cccc2c(Cn3cncnc3=O)ccnc12
57_8I5G_II260818113747873614644a,CCC(=O)c1[nH]c(C)c(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c1C,-14.7,0.49,0,0,0,0,402.46,3.02,119.5,2,7,5,0.227,0.495,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cc[nH]c3)cccc12
57_8I5G_II260818113747873614685a,CCc1cc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)cc(CC)n1,-14.6,0.503,0,0,0,0,386.46,3.0,99.6,1,7,5,0.227,0.566,29,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccncc3)cccc12
57_8I5G_II260818113747873614856a,Nc1ncn(Cc2ccnc3c(-c4cc(C5CCC5)c(Cl)nn4)cccc23)c(=O)n1,-14.6,0.487,0,0,0,0,419.88,3.19,112.5,1,8,4,0.238,0.54,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cc(C4CCC4)cnn3)cccc12
57_8I5G_II260818113747873615235a,Nc1ncn(Cc2ccnc3c(C4(c5ccc([O-])cc5)CCC4)cccc23)c(=O)n1,-14.9,0.497,-1,1,0,0,398.45,2.36,109.7,1,7,4,0.217,0.565,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C3(c4ccccc4)CCC3)cccc12
57_8I5G_II260818113747873615409a,CC(C)Cc1csc(N)c1-c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.0,0.483,0,0,0,0,406.52,3.33,112.7,2,8,5,0.238,0.526,29,20,GLN1541;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccsc3)cccc12
57_8I5G_II260818113747873615430a,Nc1ncn(Cc2ccnc3c([NH2+]C4CCCC5(C4)OCCO5)cccc23)c(=O)n1,-14.2,0.473,1,0,0,0,409.47,0.7,121.8,2,8,4,0.429,0.608,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c([NH2+]C3CCCC4(C3)OCCO4)cccc12
57_8I5G_II260818113747873615652a,CC(C)(C)Cc1csc(N)c1-c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.0,0.467,0,0,0,0,420.54,3.72,112.7,2,8,4,0.273,0.52,30,20,GLN1541;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccsc3)cccc12
57_8I5G_II260818113747873615769a,Nc1ncn(Cc2ccnc3c(OCC4(C(F)(F)F)CCCC4)cccc23)c(=O)n1,-14.0,0.467,0,0,0,0,419.41,3.32,95.9,1,7,5,0.4,0.682,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(OCC3CCCC3)cccc12
57_8I5G_II260818113747873615889a,Nc1ncn(Cc2ccnc3c(C(=O)C4(O)CC5CCC4C5)cccc23)c(=O)n1,-14.1,0.486,0,0,0,0,391.43,1.55,124.0,2,8,4,0.381,0.647,29,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=C(c1cccc2c(Cn3cncnc3=O)ccnc12)C1CC2CCC1C2
57_8I5G_II260818113747873616068a,CCCCC(CC(=O)[O-])c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.4,0.514,-1,1,1,0,380.43,1.23,126.8,1,8,8,0.35,0.622,28,20,GLN1541;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2ccccc12
57_8I5G_II260818113747873616257a,CC([NH2+]CC1CCCC1)c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.3,0.511,1,0,0,0,379.49,1.63,103.3,2,6,6,0.429,0.677,28,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C[NH2+]CC3CCCC3)cccc12
57_8I5G_II260818113747873616318a,CCC(C)c1cc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)on1,-14.1,0.504,0,0,0,0,376.42,2.99,112.7,1,8,5,0.25,0.569,28,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccno3)cccc12
57_8I5G_II260818113747873616388a,Nc1ncn(Cc2ccnc3c(-c4ccc(CC5CC5)cc4)cccc23)c(=O)n1,-14.5,0.5,0,0,0,0,383.46,3.44,86.7,1,6,5,0.217,0.57,29,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccc(CC4CC4)cc3)cccc12
57_8I5G_II260818113747873616535a,Nc1ncn(Cc2ccnc3c(-c4ccc(CC5CC5)c(F)c4)cccc23)c(=O)n1,-14.0,0.467,0,0,0,0,401.45,3.58,86.7,1,6,5,0.217,0.552,30,17,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccc(CC4CC4)cc3)cccc12
57_8I5G_II260818113747873616866a,CC(Cc1cccc2c(Cn3cnc(N)nc3=O)ccnc12)NC(=O)C1CC1,-14.1,0.504,0,0,0,0,378.44,1.27,115.8,2,7,6,0.35,0.667,28,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;THR1601;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=C(NCCc1cccc2c(Cn3cncnc3=O)ccnc12)C1CC1
57_8I5G_II260818113747873616990a,Nc1ncn(Cc2ccnc3c(CC4CCC5(CCC5)CC4)cccc23)c(=O)n1,-14.5,0.5,0,0,0,0,389.5,3.72,86.7,1,6,4,0.478,0.735,29,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC3CCC4(CCC4)CC3)cccc12
57_8I5G_II260818113747873617227a,Nc1ncn(Cc2ccnc3c(CCC4CC=CCC4)cccc23)c(=O)n1,-14.1,0.522,0,0,0,0,361.45,3.11,86.7,1,6,5,0.333,0.706,27,19,GLN1541;GLU1545;TYR1548;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CCC3CC=CCC3)cccc12
57_8I5G_II260818113747873617651a,Nc1ncn(Cc2ccnc3c(C4(C[NH2+]C5CC5)CCCCC4)cccc23)c(=O)n1,-14.5,0.483,1,0,0,0,405.53,1.74,103.3,2,6,6,0.478,0.65,30,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C3(C[NH2+]C4CC4)CCCCC3)cccc12
57_8I5G_II260818113747873617668a,Nc1ncn(Cc2ccnc3c(C4(c5cccnc5)CCC4)cccc23)c(=O)n1,-14.5,0.5,0,0,0,0,384.44,2.68,99.6,1,7,4,0.227,0.581,29,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C3(c4cccnc4)CCC3)cccc12
57_8I5G_II260818113747873617798a,Cc1nn(C(C)C)c(C)c1-c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.0,0.483,0,0,0,0,389.46,2.88,104.5,1,8,4,0.286,0.575,29,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cn[nH]c3)cccc12
57_8I5G_II260818113747873617806a,Nc1ncn(Cc2ccnc3c(C(C(=O)[O-])C4CCCCC4)cccc23)c(=O)n1,-14.7,0.507,-1,1,1,0,392.44,1.23,126.8,1,8,5,0.381,0.692,29,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC3CCCCC3)cccc12
57_8I5G_II260818113747873617967a,Nc1ncn(Cc2ccnc3c(CNC(=O)C4CC=CC4)cccc23)c(=O)n1,-14.5,0.518,0,0,0,0,376.42,1.4,115.8,2,7,5,0.25,0.65,28,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=C(NCc1cccc2c(Cn3cncnc3=O)ccnc12)C1CC=CC1
57_8I5G_II260818113747873618346a,Nc1ncn(Cc2ccnc3c(CC45CCC(F)(CC4)CC5)cccc23)c(=O)n1,-14.3,0.493,0,0,0,0,393.47,3.42,86.7,1,6,4,0.455,0.734,29,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC34CCC(CC3)CC4)cccc12
57_8I5G_II260818113747873618708a,Nc1ncn(Cc2ccnc3c(-c4ccnc(CC5CC5)n4)cccc23)c(=O)n1,-14.3,0.493,0,0,0,0,385.43,2.23,112.5,1,8,5,0.238,0.56,29,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccnc(CC4CC4)n3)cccc12
57_8I5G_II260818113747873618709a,CCCC1CC(c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)CCO1,-14.0,0.5,0,0,0,0,379.46,2.88,95.9,1,7,5,0.429,0.732,28,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C3CCOCC3)cccc12
57_8I5G_II260818113747873618856a,Cc1[nH]c(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c(C)c1C,-14.2,0.526,0,0,0,0,360.42,2.74,102.5,2,6,3,0.2,0.585,27,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccc[nH]3)cccc12
57_8I5G_II260818113747873618930a,C=C1C=C(C)CC(C)(C)C1Cc1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.9,0.497,0,0,0,0,401.51,3.91,86.7,1,6,4,0.333,0.716,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,C=C1C=CCCC1Cc1cccc2c(Cn3cncnc3=O)ccnc12
57_8I5G_II260818113747873619025a,Nc1ncn(Cc2ccnc3c(CCC4=CCCCC4)cccc23)c(=O)n1,-14.4,0.533,0,0,0,0,361.45,3.25,86.7,1,6,5,0.333,0.705,27,18,GLN1541;GLU1545;TYR1548;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CCC3=CCCCC3)cccc12
57_8I5G_II260818113747873619035a,Cc1cc(CCc2cccc3c(Cn4cnc(N)nc4=O)ccnc23)cn(C)c1=O,-14.3,0.477,0,0,0,0,402.46,1.61,108.7,1,8,5,0.227,0.543,30,19,GLN1541;GLU1545;TYR1548;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ccc(CCc2cccc3c(Cn4cncnc4=O)ccnc23)c[nH]1
57_8I5G_II260818113747873619699a,Cc1cnc([NH2+]C(C)C)nc1-c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.4,0.48,1,0,0,0,403.47,1.19,129.1,2,8,5,0.238,0.512,30,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccncn3)cccc12
57_8I5G_II260818113747873619754a,CCC(Cc1cccc2c(Cn3cnc(N)nc3=O)ccnc12)c1ccc([O-])cc1,-15.3,0.51,-1,1,0,0,400.46,2.63,109.8,1,7,6,0.217,0.533,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CCc3ccccc3)cccc12
57_8I5G_II260818113747873620029a,Cc1ccc([NH2+]C(C)C)cc1-c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-15.2,0.507,1,0,0,0,401.49,2.4,103.3,2,6,5,0.217,0.5,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccccc3)cccc12
57_8I5G_II260818113747873620417a,Nc1ncn(Cc2ccnc3c(C4CCC[NH+](CC5CCO5)C4)cccc23)c(=O)n1,-14.0,0.467,1,0,0,0,407.5,0.37,100.4,2,7,5,0.455,0.634,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C3CCC[NH+](CC4CCO4)C3)cccc12
57_8I5G_II260818113747873621030a,CC[NH+](CCC1CC1)Cc1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.1,0.504,1,0,0,0,379.49,1.02,91.1,2,6,8,0.429,0.61,28,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C[NH2+]CCC3CC3)cccc12
57_8I5G_II260818113747873621055a,CC(C)(C)c1ccc(N)c(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c1,-15.1,0.503,0,0,0,0,400.49,3.36,112.7,2,7,3,0.217,0.51,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccccc3)cccc12
57_8I5G_II260818113747873621055b,CC(C)(C)c1ccc(N)c(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c1,-15.1,0.503,0,0,0,0,400.49,3.36,112.7,2,7,3,0.217,0.51,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccccc3)cccc12
57_8I5G_II260818113747873621167a,CCc1cc(CC)cc(Cc2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c1,-14.1,0.47,0,0,0,0,399.5,3.53,86.7,1,6,6,0.25,0.536,30,19,GLN1541;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(Cc3ccccc3)cccc12
57_8I5G_II260818113747873621419a,Cc1[nH]c(=O)c(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)cc1C(C)C,-14.4,0.48,0,0,0,0,402.46,2.6,119.5,2,7,4,0.227,0.541,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1[nH]cccc1-c1cccc2c(Cn3cncnc3=O)ccnc12
57_8I5G_II260818113747873621522a,CCCC(C(=O)NCC(C)C)c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.0,0.467,0,0,0,0,408.51,2.47,115.8,2,7,8,0.409,0.591,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2ccccc12
57_8I5G_II260818113747873621801a,CCC1(Cc2cccc3c(Cn4cnc(N)nc4=O)ccnc23)CCCC1,-14.4,0.533,0,0,0,0,363.47,3.33,86.7,1,6,5,0.429,0.751,27,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC3CCCC3)cccc12
57_8I5G_II260818113747873622168a,CC(C)c1[nH]cnc1-c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.0,0.519,0,0,0,0,361.41,2.33,115.4,2,7,4,0.211,0.576,27,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3c[nH]cn3)cccc12
57_8I5G_II260818113747873622454a,Cc1cc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)nc(C(C)(C)C)n1,-14.8,0.493,0,0,0,0,401.47,2.88,112.5,1,8,3,0.273,0.561,30,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccncn3)cccc12
57_8I5G_II260818113747873622454b,Cc1cc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)nc(C(C)(C)C)n1,-14.3,0.477,0,0,0,0,401.47,2.88,112.5,1,8,3,0.273,0.561,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccncn3)cccc12
57_8I5G_II260818113747873622460a,Nc1ncn(Cc2ccnc3c(-c4cccc(C5CCCO5)c4)cccc23)c(=O)n1,-14.4,0.48,0,0,0,0,399.45,3.34,95.9,1,7,4,0.217,0.565,30,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cccc(C4CCCO4)c3)cccc12
57_8I5G_II260818113747873622594a,CCCCn1[nH]c(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)cc1=O,-14.8,0.51,0,0,0,0,391.44,1.77,124.5,2,8,6,0.25,0.516,29,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1cc(-c2cccc3c(Cn4cncnc4=O)ccnc23)[nH][nH]1
57_8I5G_II260818113747873622603a,CC[NH+]1CCC(C(C)c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)CC1,-14.2,0.49,1,0,0,0,393.52,1.24,91.1,2,6,5,0.455,0.68,29,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC3CC[NH2+]CC3)cccc12
57_8I5G_II260818113747873622712a,CC1(Cc2cccc3c(Cn4cnc(N)nc4=O)ccnc23)CCCc2ccoc21,-14.4,0.48,0,0,0,0,401.47,3.25,99.8,1,7,4,0.304,0.563,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC3CCCc4ccoc43)cccc12
57_8I5G_II260818113747873623514a,Cc1nnc(C2CCC[NH+]2c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)o1,-14.0,0.467,1,0,0,0,405.44,0.56,130.1,2,9,4,0.3,0.504,30,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;THR1601;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c([NH+]3CCCC3c3nnco3)cccc12
57_8I5G_II260818113747873623628a,Nc1ncn(Cc2ccnc3c(-c4n[nH]c(C5CCCCC5)n4)cccc23)c(=O)n1,-14.3,0.477,0,0,0,0,402.46,2.65,128.3,2,8,4,0.333,0.537,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3n[nH]c(C4CCCCC4)n3)cccc12
57_8I5G_II260818113747873623800a,Nc1ncn(Cc2ccnc3c(C4[NH2+]CCC5(O)CCCCC45)cccc23)c(=O)n1,-14.8,0.493,1,0,0,0,407.5,0.75,123.5,3,7,3,0.455,0.589,30,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C3[NH2+]CCC4CCCCC43)cccc12
57_8I5G_II260818113747873624152a,Cc1nc(C(C)C)nc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c1Br,-14.4,0.48,0,0,0,0,466.34,3.47,112.5,1,8,4,0.238,0.49,30,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccncn3)cccc12
57_8I5G_II260818113747873624584a,Nc1ncn(Cc2ccnc3c(CC4C5CC6C4C6C5C(=O)[O-])cccc23)c(=O)n1,-15.7,0.523,-1,1,1,0,402.43,0.24,126.8,1,8,5,0.409,0.647,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC3C4CC5C(C4)C35)cccc12
57_8I5G_II260818113747873624694a,Nc1ncn(Cc2ccnc3c(-c4cccc(CC5CCC5)c4)cccc23)c(=O)n1,-15.7,0.523,0,0,0,0,397.48,3.83,86.7,1,6,5,0.25,0.553,30,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cccc(CC4CCC4)c3)cccc12
57_8I5G_II260818113747873624745b,CC(C)(C)c1cc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)ccc1N,-14.4,0.48,0,0,0,0,400.49,3.36,112.7,2,7,3,0.217,0.51,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccccc3)cccc12
57_8I5G_II260818113747873624760a,Nc1ncn(Cc2ccnc3c(C[NH2+]C4(C5CCC5)CC4)cccc23)c(=O)n1,-14.4,0.514,1,0,0,0,377.47,1.21,103.3,2,6,6,0.429,0.672,28,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C[NH2+]C3(C4CCC4)CC3)cccc12
57_8I5G_II260818113747873624968a,Nc1ncn(Cc2ccnc3c(-c4[nH]nc5c4CCC4(CC4)C5)cccc23)c(=O)n1,-14.4,0.48,0,0,0,0,399.46,2.48,115.4,2,7,3,0.318,0.547,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3[nH]nc4c3CCC3(CC3)C4)cccc12
57_8I5G_II260818113747873625346a,Nc1ncn(Cc2ccnc3c(Cc4cc(C5CCOC5)no4)cccc23)c(=O)n1,-14.0,0.467,0,0,0,0,404.43,1.9,122.0,1,9,5,0.286,0.535,30,18,GLU1545;TYR1548;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(Cc3cc(C4CCOC4)no3)cccc12
57_8I5G_II260818113747873625833a,Nc1ncn(Cc2ccnc3c(C4(CCC(=O)[O-])CCCC4)cccc23)c(=O)n1,-14.1,0.486,-1,1,1,0,392.44,1.16,126.8,1,8,6,0.381,0.667,29,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C3CCCC3)cccc12
57_8I5G_II260818113747873625872a,CC1(C)OCC(CC(=O)c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)O1,-14.1,0.486,0,0,0,0,395.42,1.54,122.2,1,9,5,0.35,0.646,29,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=C(CC1COCO1)c1cccc2c(Cn3cncnc3=O)ccnc12
57_8I5G_II260818113747873626270a,Nc1ncn(Cc2ccnc3c(-c4noc(C5CCCCC5)n4)cccc23)c(=O)n1,-14.0,0.467,0,0,0,0,403.45,2.91,125.6,1,9,4,0.333,0.551,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3noc(C4CCCCC4)n3)cccc12
57_8I5G_II260818113747873626309a,CC(c1nc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)no1)C1CCC1,-14.6,0.487,0,0,0,0,403.45,2.77,125.6,1,9,5,0.333,0.539,30,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3noc(CC4CCC4)n3)cccc12
57_8I5G_II260818113747873626892a,Nc1ncn(Cc2ccnc3c(CC4(O)CCCCC4)cccc23)c(=O)n1,-14.0,0.519,0,0,0,0,365.44,2.05,106.9,2,7,4,0.4,0.733,27,17,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC3CCCCC3)cccc12
57_8I5G_II260818113747873626953a,CCC1(C)C[NH+](C)CC(Cc2cccc3c(Cn4cnc(N)nc4=O)ccnc23)O1,-14.0,0.467,1,0,0,0,409.51,0.44,100.4,2,7,5,0.455,0.634,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC3C[NH2+]CCO3)cccc12
57_8I5G_II260818113747873626965a,CC(C)n1cc(Br)c(C(=O)c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)n1,-14.0,0.467,0,0,0,0,468.32,2.59,121.6,1,9,5,0.2,0.447,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=C(c1cc[nH]n1)c1cccc2c(Cn3cncnc3=O)ccnc12
57_8I5G_II260818113747873627094a,Nc1ncn(Cc2ccnc3c(C4CC[NH+](C(CF)CF)CC4)cccc23)c(=O)n1,-14.0,0.467,1,0,0,0,415.47,0.89,91.1,2,6,6,0.429,0.624,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C3CC[NH2+]CC3)cccc12
57_8I5G_II260818113747873627426a,Nc1ncn(Cc2ccnc3c(C[NH+]4CCc5[nH]ccc5C4)cccc23)c(=O)n1,-14.0,0.483,1,0,0,0,388.46,0.29,106.9,3,6,4,0.238,0.466,29,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C[NH+]3CCc4[nH]ccc4C3)cccc12
57_8I5G_II260818113747873627762a,Nc1ncn(Cc2ccnc3c(-c4cccc5c4CCCC5)cccc23)c(=O)n1,-14.4,0.497,0,0,0,0,383.46,3.36,86.7,1,6,3,0.217,0.586,29,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cccc4c3CCCC4)cccc12
57_8I5G_II260818113747873628064a,Nc1ncn(Cc2ccnc3c(CCC4CCCC5CCC[NH+]54)cccc23)c(=O)n1,-14.6,0.487,1,0,0,0,405.53,1.35,91.1,2,6,5,0.478,0.669,30,18,GLN1541;GLU1545;TYR1548;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CCC3CCCC4CCC[NH+]43)cccc12
57_8I5G_II260818113747873628064b,Nc1ncn(Cc2ccnc3c(CCC4CCCC5CCC[NH+]54)cccc23)c(=O)n1,-14.5,0.483,1,0,0,0,405.53,1.35,91.1,2,6,5,0.478,0.669,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CCC3CCCC4CCC[NH+]43)cccc12
57_8I5G_II260818113747873628140a,Nc1ncn(Cc2ccnc3c(-c4nc(C5CCCCC5)co4)cccc23)c(=O)n1,-14.2,0.473,0,0,0,0,402.46,3.52,112.7,1,8,4,0.318,0.555,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3nc(C4CCCCC4)co3)cccc12
57_8I5G_II260818113747873628177a,CC(C)Sc1ncccc1Cc1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.5,0.483,0,0,0,0,418.53,3.3,99.6,1,8,6,0.227,0.48,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(Cc3cccnc3)cccc12
57_8I5G_II260818113747873628206a,CC1CCC(C)[NH+]1Cc1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.2,0.526,1,0,0,0,365.46,0.77,91.1,2,6,4,0.4,0.713,27,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C[NH+]3CCCC3)cccc12
57_8I5G_II260818113747873628807a,C[NH+](C)C(Cc1cccc2c(Cn3cnc(N)nc3=O)ccnc12)c1cccnc1,-14.5,0.483,1,0,0,0,402.48,0.64,104.0,2,7,6,0.227,0.491,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CCc3cccnc3)cccc12
57_8I5G_II260818113747873628878a,Nc1ncn(Cc2ccnc3c(C4(C5CCCCC5)CC4)cccc23)c(=O)n1,-14.3,0.511,0,0,0,0,375.48,3.43,86.7,1,6,4,0.455,0.755,28,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C3(C4CCCCC4)CC3)cccc12
57_8I5G_II260818113747873629353a,CCc1nn(C)c(C(=O)c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c1Cl,-14.0,0.467,0,0,0,0,423.86,2.0,121.6,1,9,5,0.2,0.487,30,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;THR1601;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=C(c1ccn[nH]1)c1cccc2c(Cn3cncnc3=O)ccnc12
57_8I5G_II260818113747873629576a,Nc1ncn(Cc2ccnc3c(CNC(=O)CC4CCOC4)cccc23)c(=O)n1,-14.3,0.493,0,0,0,0,394.44,0.86,125.0,2,8,6,0.35,0.635,29,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=C(CC1CCOC1)NCc1cccc2c(Cn3cncnc3=O)ccnc12
57_8I5G_II260818113747873629577a,Nc1ncn(Cc2ccnc3c(C(=O)NOC4CCC4)cccc23)c(=O)n1,-14.0,0.519,0,0,0,0,366.38,1.03,125.0,2,8,5,0.278,0.646,27,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=C(NOC1CCC1)c1cccc2c(Cn3cncnc3=O)ccnc12
57_8I5G_II260818113747873629641a,CCOc1cc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)ncc1CC,-14.1,0.47,0,0,0,0,402.46,2.84,108.8,1,8,6,0.227,0.528,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccccn3)cccc12
57_8I5G_II260818113747873629713a,CC(C)CC(c1ncccn1)c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.4,0.48,0,0,0,0,401.47,2.79,112.5,1,8,6,0.273,0.528,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(Cc3ncccn3)cccc12
57_8I5G_II260818113747873629729a,Nc1ncn(Cc2ccnc3c(C[NH+]4CC5CCC4CC5)cccc23)c(=O)n1,-14.4,0.514,1,0,0,0,377.47,0.77,91.1,2,6,4,0.429,0.701,28,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C[NH+]3CC4CCC3CC4)cccc12
57_8I5G_II260818113747873629992a,Nc1ncn(Cc2ccnc3c(-c4ncnc(N5CCCC5)n4)cccc23)c(=O)n1,-14.5,0.483,0,0,0,0,401.43,1.27,128.6,1,10,4,0.25,0.537,30,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ncnc(N4CCCC4)n3)cccc12
57_8I5G_II260818113747873630045a,C=CCC1C=C(C)CC(c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)[NH2+]1,-14.4,0.497,1,0,0,0,389.48,1.72,103.3,2,6,5,0.273,0.647,29,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C3CC=CC[NH2+]3)cccc12
57_8I5G_II260818113747873630308a,CC1(C)CC(O)CC(C)(Cc2cccc3c(Cn4cnc(N)nc4=O)ccnc23)C1,-14.4,0.48,0,0,0,0,407.52,2.94,106.9,2,7,4,0.478,0.689,30,19,GLN1541;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC3CCCCC3)cccc12
57_8I5G_II260818113747873630604a,CC1(CNC(=O)c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)CCCC1,-14.2,0.49,0,0,0,0,392.46,2.13,115.8,2,7,5,0.381,0.687,29,20,GLN1541;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;THR1601;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=C(NCC1CCCC1)c1cccc2c(Cn3cncnc3=O)ccnc12
57_8I5G_II260818113747873631015a,Nc1ncn(Cc2ccnc3c(-c4cc5c(n4C4CC4)CCC5)cccc23)c(=O)n1,-14.1,0.47,0,0,0,0,398.47,3.11,91.6,1,7,4,0.304,0.57,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cc4c(n3C3CC3)CCC4)cccc12
57_8I5G_II260818113747873631225a,Nc1ncn(Cc2ccnc3c(C(=O)CC4CC5CCC(C4)[NH2+]5)cccc23)c(=O)n1,-14.0,0.467,1,0,0,0,405.48,0.89,120.4,2,7,5,0.409,0.609,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=C(CC1CC2CCC(C1)[NH2+]2)c1cccc2c(Cn3cncnc3=O)ccnc12
57_8I5G_II260818113747873631385a,CCC1CC=CCC1[NH2+]c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.5,0.518,1,0,0,0,377.47,1.76,103.3,2,6,5,0.333,0.521,28,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c([NH2+]C3CC=CCC3)cccc12
57_8I5G_II260818113747873631418a,CCc1nn(C)c(N)c1-c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.2,0.507,0,0,0,0,376.42,1.36,130.5,2,9,4,0.211,0.55,28,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cn[nH]c3)cccc12
57_8I5G_II260818113747873631560a,CC(C)C1CCC(OCc2cccc3c(Cn4cnc(N)nc4=O)ccnc23)CC1,-14.3,0.477,0,0,0,0,407.52,3.55,95.9,1,7,6,0.478,0.671,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(COC3CCCCC3)cccc12
57_8I5G_II260818113747873631569a,C=CCC(C(=O)NC(C)(C)C)c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.3,0.477,0,0,0,0,406.49,2.39,115.8,2,7,6,0.318,0.607,30,20,GLU1545;TYR1548;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;THR1601;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2ccccc12
57_8I5G_II260818113747873632039a,Nc1ncn(Cc2ccnc3c(CCC4C(=O)CCCC4=O)cccc23)c(=O)n1,-14.3,0.493,0,0,0,0,391.43,1.69,120.8,1,8,5,0.333,0.657,29,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=C1CCCC(=O)C1CCc1cccc2c(Cn3cncnc3=O)ccnc12
57_8I5G_II260818113747873632085a,CCc1c(Cl)nc(NC)nc1-c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.0,0.467,0,0,0,0,422.88,2.53,124.5,2,9,5,0.2,0.47,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccncn3)cccc12
57_8I5G_II260818113747873632375a,CCc1nc(Cc2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c(C)s1,-14.3,0.511,0,0,0,0,392.49,2.74,99.6,1,8,5,0.25,0.561,28,20,GLN1541;THR1544;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(Cc3cscn3)cccc12
57_8I5G_II260818113747873632584a,CC(C)Oc1cc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)n(C)n1,-14.3,0.493,0,0,0,0,391.44,2.0,113.7,1,9,5,0.25,0.553,29,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccn[nH]3)cccc12
57_8I5G_II260818113747873632588a,Nc1ncn(Cc2ccnc3c(C(=O)NCCC4CC4)cccc23)c(=O)n1,-14.5,0.537,0,0,0,0,364.41,1.35,115.8,2,7,6,0.316,0.682,27,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=C(NCCC1CC1)c1cccc2c(Cn3cncnc3=O)ccnc12
57_8I5G_II260818113747873632804a,CC1CCCC([NH2+]Cc2cccc3c(Cn4cnc(N)nc4=O)ccnc23)C1C,-14.2,0.49,1,0,0,0,393.52,1.71,103.3,2,6,5,0.455,0.687,29,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C[NH2+]C3CCCCC3)cccc12
57_8I5G_II260818113747873632972a,Cn1nc2c(c1-c1cccc3c(Cn4cnc(N)nc4=O)ccnc13)CCC2,-14.2,0.507,0,0,0,0,373.42,1.71,104.5,1,8,3,0.25,0.586,28,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3[nH]nc4c3CCC4)cccc12
57_8I5G_II260818113747873633113a,CCC(CC)c1cc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)ccn1,-15.1,0.503,0,0,0,0,400.49,3.78,99.6,1,7,6,0.261,0.529,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccncc3)cccc12
57_8I5G_II260818113747873633264a,CCCn1c(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)nc(C)c1C,-14.0,0.483,0,0,0,0,389.46,2.71,104.5,1,8,5,0.286,0.563,29,18,GLN1541;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ncc[nH]3)cccc12
57_8I5G_II260818113747873633619a,C=CCC1(c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)CCCCC1,-14.5,0.518,0,0,0,0,375.48,3.6,86.7,1,6,5,0.364,0.689,28,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C3CCCCC3)cccc12
57_8I5G_II260818113747873633794a,C=C1C(O)CC(OCC)CC1c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.5,0.483,0,0,0,0,407.47,2.02,116.1,2,8,5,0.364,0.622,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,C=C1CCCCC1c1cccc2c(Cn3cncnc3=O)ccnc12
57_8I5G_II260818113747873633801a,CCCCn1nc(CC)nc1-c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.5,0.483,0,0,0,0,404.48,2.44,117.4,1,9,7,0.333,0.503,30,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ncn[nH]3)cccc12
57_8I5G_II260818113747873634018a,Nc1ncn(Cc2ccnc3c(C(=O)CC(=O)C4CCOCC4)cccc23)c(=O)n1,-14.2,0.473,0,0,0,0,407.43,1.39,130.1,1,9,6,0.333,0.479,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=C(CC(=O)C1CCOCC1)c1cccc2c(Cn3cncnc3=O)ccnc12
57_8I5G_II260818113747873634087a,CCC(Cc1cccc2c(Cn3cnc(N)nc3=O)ccnc12)[NH+]1CCCCC1,-15.0,0.517,1,0,0,0,393.52,1.21,91.1,2,6,6,0.455,0.657,29,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;THR1601;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC[NH+]3CCCCC3)cccc12
57_8I5G_II260818113747873634313a,Nc1ncn(Cc2ccnc3c(CC4(c5cccnc5)CCC4)cccc23)c(=O)n1,-14.5,0.483,0,0,0,0,398.47,2.88,99.6,1,7,5,0.261,0.555,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC3(c4cccnc4)CCC3)cccc12
57_8I5G_II260818113747873634534a,Nc1ncn(Cc2ccnc3c(-c4cc(C5CCCC5)n[nH]4)cccc23)c(=O)n1,-14.2,0.49,0,0,0,0,387.45,2.86,115.4,2,7,4,0.286,0.556,29,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cc(C4CCCC4)n[nH]3)cccc12
57_8I5G_II260818113747873634791b,Nc1ncn(Cc2ccnc3c(CNC(=O)C4CCCCC4)cccc23)c(=O)n1,-14.1,0.486,0,0,0,0,392.46,2.01,115.8,2,7,5,0.381,0.686,29,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=C(NCc1cccc2c(Cn3cncnc3=O)ccnc12)C1CCCCC1
57_8I5G_II260818113747873634849a,Nc1ncn(Cc2ccnc3c(CCc4cn5c(n4)CCCC5)cccc23)c(=O)n1,-14.0,0.467,0,0,0,0,401.47,2.13,104.5,1,8,5,0.318,0.549,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CCc3cn4c(n3)CCCC4)cccc12
57_8I5G_II260818113747873634942a,Nc1ncn(Cc2ccnc3c(-c4ccc(=O)n(CC5CC5)c4)cccc23)c(=O)n1,-14.3,0.477,0,0,0,0,400.44,2.06,108.7,1,8,5,0.227,0.549,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ccc(-c2cccc3c(Cn4cncnc4=O)ccnc23)cn1CC1CC1
57_8I5G_II260818113747873635024a,Nc1ncn(Cc2ccnc3c(-c4oc(C5CC5)nc4C(F)F)cccc23)c(=O)n1,-14.5,0.483,0,0,0,0,410.38,3.29,112.7,1,8,5,0.25,0.537,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cnc(C4CC4)o3)cccc12
57_8I5G_II260818113747873635329a,CC=CC1C(C(=O)c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)C1(C)C,-15.3,0.528,0,0,0,0,389.46,2.85,103.8,1,7,5,0.318,0.531,29,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=C(c1cccc2c(Cn3cncnc3=O)ccnc12)C1CC1
57_8I5G_II260818113747873635329b,CC=CC1C(C(=O)c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)C1(C)C,-15.2,0.524,0,0,0,0,389.46,2.85,103.8,1,7,5,0.318,0.531,29,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=C(c1cccc2c(Cn3cncnc3=O)ccnc12)C1CC1
57_8I5G_II260818113747873635453a,CCc1nc(C2(c3cccc4c(Cn5cnc(N)nc5=O)ccnc34)CCC2)no1,-14.5,0.483,0,0,0,0,403.45,2.23,125.6,1,9,5,0.333,0.538,30,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C3(c4ncon4)CCC3)cccc12
57_8I5G_II260818113747873635478a,Nc1ncn(Cc2ccnc3c(C(=O)NCCC4CC(=O)C4)cccc23)c(=O)n1,-14.1,0.486,0,0,0,0,392.42,0.92,132.9,2,8,6,0.3,0.637,29,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=C1CC(CCNC(=O)c2cccc3c(Cn4cncnc4=O)ccnc23)C1
57_8I5G_II260818113747873635618a,Nc1ncn(Cc2ccnc3c(C4COCCC4[NH2+]C4CC4)cccc23)c(=O)n1,-14.5,0.5,1,0,0,0,393.47,0.42,112.5,2,7,5,0.429,0.649,29,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C3COCCC3[NH2+]C3CC3)cccc12
57_8I5G_II260818113747873635769a,Nc1ncn(Cc2ccnc3c(C(=O)C4CCCC(F)(F)C4)cccc23)c(=O)n1,-14.0,0.483,0,0,0,0,399.4,2.83,103.8,1,7,4,0.35,0.677,29,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=C(c1cccc2c(Cn3cncnc3=O)ccnc12)C1CCCCC1
57_8I5G_II260818113747873635935a,CC(C)c1cc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)nn1C(C)C,-14.8,0.493,0,0,0,0,403.49,3.38,104.5,1,8,5,0.318,0.548,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cc[nH]n3)cccc12
57_8I5G_II260818113747873635935b,CC(C)c1cc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)nn1C(C)C,-14.3,0.477,0,0,0,0,403.49,3.38,104.5,1,8,5,0.318,0.548,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cc[nH]n3)cccc12
57_8I5G_II260818113747873635950a,Nc1ncn(Cc2ccnc3c(-c4nc(CCC5CC5)no4)cccc23)c(=O)n1,-14.2,0.49,0,0,0,0,389.42,2.21,125.6,1,9,6,0.3,0.532,29,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3nc(CCC4CC4)no3)cccc12
57_8I5G_II260818113747873635966a,CC(C)(C)[NH2+]C(CO)c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.2,0.526,1,0,0,0,369.45,0.21,123.5,3,7,5,0.368,0.591,27,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2ccccc12
57_8I5G_II260818113747873636122a,Cc1ccnc(C2CC2Cc2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c1,-14.0,0.467,0,0,0,0,398.47,2.87,99.6,1,7,5,0.261,0.555,30,21,GLN1541;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;THR1601;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC3CC3c3ccccn3)cccc12
57_8I5G_II260818113747873636129a,CCc1n[nH]c(=O)c(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c1CC,-14.0,0.467,0,0,0,0,403.45,1.69,132.4,2,8,5,0.238,0.518,30,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1[nH]nccc1-c1cccc2c(Cn3cncnc3=O)ccnc12
57_8I5G_II260818113747873636175a,Nc1ncn(Cc2ccnc3c(CC4(C(F)(F)F)CCCC4)cccc23)c(=O)n1,-14.1,0.486,0,0,0,0,403.41,3.48,86.7,1,6,4,0.4,0.721,29,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC3CCCC3)cccc12
57_8I5G_II260818113747873636700a,CCCn1nc(C)nc1-c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.0,0.5,0,0,0,0,376.42,1.79,117.4,1,9,5,0.263,0.564,28,19,GLN1541;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ncn[nH]3)cccc12
57_8I5G_II260818113747873636819a,Nc1ncn(Cc2ccnc3c(-c4cccc(CCC5CC5)c4)cccc23)c(=O)n1,-15.1,0.503,0,0,0,0,397.48,3.83,86.7,1,6,6,0.25,0.534,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cccc(CCC4CC4)c3)cccc12
57_8I5G_II260818113747873636830a,CCn1nc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c2c1CCOC2,-14.8,0.493,0,0,0,0,403.45,1.77,113.7,1,9,4,0.286,0.552,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3n[nH]c4c3COCC4)cccc12
57_8I5G_II260818113747873636960a,Nc1ncn(Cc2ccnc3c(-c4cc(CCC5CCC5)on4)cccc23)c(=O)n1,-14.5,0.483,0,0,0,0,402.46,3.2,112.7,1,8,6,0.318,0.527,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;THR1601;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cc(CCC4CCC4)on3)cccc12
57_8I5G_II260818113747873637215a,CCc1c(C)cccc1Cc1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.0,0.483,0,0,0,0,385.47,3.28,86.7,1,6,5,0.217,0.57,29,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(Cc3ccccc3)cccc12
57_8I5G_II260818113747873637314a,COc1cc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)cc(C(C)C)c1,-15.1,0.503,0,0,0,0,401.47,3.62,95.9,1,7,5,0.217,0.549,30,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccccc3)cccc12
57_8I5G_II260818113747873637404a,CCCC(C(=O)C(=O)NCC)c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.0,0.467,0,0,0,0,408.46,1.41,132.9,2,8,8,0.333,0.538,30,19,GLN1541;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2ccccc12
57_8I5G_II260818113747873637522a,Cc1cnc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)n1CC1CC1,-14.2,0.49,0,0,0,0,387.45,2.4,104.5,1,8,5,0.286,0.564,29,19,GLN1541;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3nccn3CC3CC3)cccc12
57_8I5G_II260818113747873637590a,Nc1ncn(Cc2ccnc3c([NH+]4CCCC4c4ncco4)cccc23)c(=O)n1,-14.3,0.493,1,0,0,0,390.43,0.86,117.2,2,8,4,0.25,0.531,29,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c([NH+]3CCCC3c3ncco3)cccc12
57_8I5G_II260818113747873637928a,Nc1ncn(Cc2ccnc3c(-c4cc(C5CCOC5)ncn4)cccc23)c(=O)n1,-14.3,0.477,0,0,0,0,401.43,1.78,121.7,1,9,4,0.238,0.549,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cc(C4CCOC4)ncn3)cccc12
57_8I5G_II260818113747873638433a,CC(c1cncs1)[NH+](C)Cc1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.0,0.483,1,0,0,0,408.51,1.05,104.0,2,8,6,0.25,0.494,29,17,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C[NH2+]Cc3cncs3)cccc12
57_8I5G_II260818113747873638514a,COc1ccc(C(C)C)cc1-c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.5,0.483,0,0,0,0,401.47,3.62,95.9,1,7,5,0.217,0.549,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccccc3)cccc12
57_8I5G_II260818113747873638524a,Nc1ncn(Cc2ccnc3c(Cc4ncc(C5CCCC5)s4)cccc23)c(=O)n1,-14.0,0.467,0,0,0,0,418.53,3.52,99.6,1,8,5,0.318,0.532,30,18,GLU1545;TYR1548;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;THR1601;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(Cc3ncc(C4CCCC4)s3)cccc12
57_8I5G_II260818113747873638922a,Nc1ncn(Cc2ccnc3c([NH+]4CCCC4c4ccccc4)cccc23)c(=O)n1,-14.4,0.48,1,0,0,0,399.48,1.87,91.1,2,6,4,0.217,0.547,30,19,GLN1541;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c([NH+]3CCCC3c3ccccc3)cccc12
57_8I5G_II260818113747873639202a,Nc1ncn(Cc2ccnc3c(-c4cc(C5CCC5)[nH]n4)cccc23)c(=O)n1,-14.0,0.5,0,0,0,0,373.42,2.47,115.4,2,7,4,0.25,0.568,28,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cc(C4CCC4)[nH]n3)cccc12
57_8I5G_II260818113747873639318a,Nc1ncn(Cc2ccnc3c(C[NH2+]C4CCCc5[nH]ncc54)cccc23)c(=O)n1,-14.7,0.49,1,0,0,0,403.47,0.68,132.0,3,7,5,0.286,0.449,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C[NH2+]C3CCCc4[nH]ncc43)cccc12
57_8I5G_II260818113747873639359a,Nc1ncn(Cc2ccnc3c(C(CC4CC4)c4nccs4)cccc23)c(=O)n1,-14.6,0.503,0,0,0,0,404.5,3.21,99.6,1,8,6,0.286,0.53,29,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C(CC3CC3)c3nccs3)cccc12
57_8I5G_II260818113747873639422a,Nc1ncn(Cc2ccnc3c(C4CCCC[NH+]4CC4CCC4)cccc23)c(=O)n1,-14.6,0.487,1,0,0,0,405.53,1.73,91.1,2,6,5,0.478,0.675,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C3CCCC[NH+]3CC3CCC3)cccc12
57_8I5G_II260818113747873639539a,CC(C)CC(CC(=O)[O-])c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.8,0.529,-1,1,1,0,380.43,1.09,126.8,1,8,7,0.35,0.65,28,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2ccccc12
57_8I5G_II260818113747873639631a,CCC(NC(=O)C(C)(C)C)c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-15.1,0.521,0,0,0,0,394.48,2.43,115.8,2,7,5,0.381,0.687,29,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2ccccc12
57_8I5G_II260818113747873639838a,Nc1ncn(Cc2ccnc3c(-c4cccc(C5CC([NH3+])C5)c4)cccc23)c(=O)n1,-15.2,0.507,1,0,0,0,399.48,1.97,114.3,2,6,4,0.217,0.544,30,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cccc(C4CCC4)c3)cccc12
57_8I5G_II260818113747873639979a,Nc1ncn(Cc2ccnc3c(C(CO)CCc4ccccc4)cccc23)c(=O)n1,-14.2,0.473,0,0,0,0,401.47,2.53,106.9,2,7,7,0.217,0.493,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CCCc3ccccc3)cccc12
57_8I5G_II260818113747873640055a,Nc1ncn(Cc2ccnc3c(C4CCC[NH+]4c4cccnn4)cccc23)c(=O)n1,-14.4,0.48,1,0,0,0,401.45,0.66,116.9,2,8,4,0.238,0.516,30,19,GLN1541;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C3CCC[NH+]3c3cccnn3)cccc12
57_8I5G_II260818113747873640328a,Nc1ncn(Cc2ccnc3c(-c4c5c(nn4CCF)CCC5)cccc23)c(=O)n1,-14.8,0.493,0,0,0,0,405.44,2.14,104.5,1,8,5,0.286,0.545,30,20,THR1544;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3[nH]nc4c3CCC4)cccc12
57_8I5G_II260818113747873640378a,Cc1nc(C(C)C)c(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)s1,-14.1,0.504,0,0,0,0,392.49,3.37,99.6,1,8,4,0.25,0.571,28,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cncs3)cccc12
57_8I5G_II260818113747873640694a,Nc1ncn(Cc2ccnc3c(-c4ccc(OCC5CC5)cn4)cccc23)c(=O)n1,-14.0,0.467,0,0,0,0,400.44,2.67,108.8,1,8,6,0.227,0.53,30,17,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccc(OCC4CC4)cn3)cccc12
57_8I5G_II260818113747873640696a,Cn1nc(C2CCC2)cc1-c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.0,0.483,0,0,0,0,387.45,2.48,104.5,1,8,4,0.286,0.577,29,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cc(C4CCC4)n[nH]3)cccc12
57_8I5G_II260818113747873640945a,Nc1ncn(Cc2ccnc3c(-c4cccc(OCC5CC5)n4)cccc23)c(=O)n1,-14.8,0.493,0,0,0,0,400.44,2.67,108.8,1,8,6,0.227,0.53,30,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cccc(OCC4CC4)n3)cccc12
57_8I5G_II260818113747873641046a,CC(C)c1nc(Cc2cccc3c(Cn4cnc(N)nc4=O)ccnc23)n(C)n1,-14.1,0.486,0,0,0,0,390.45,1.66,117.4,1,9,5,0.3,0.55,29,19,GLN1541;THR1544;GLU1545;TYR1548;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(Cc3ncn[nH]3)cccc12
57_8I5G_II260818113747873641149a,CC1=CC(c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)C(C(C)C)CC1,-14.4,0.497,0,0,0,0,389.5,3.91,86.7,1,6,4,0.391,0.684,29,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C3C=CCCC3)cccc12
57_8I5G_II260818113747873641482a,Nc1ncn(Cc2ccnc3c(C(=O)C45CC(C6CC64)C4CC45)cccc23)c(=O)n1,-14.0,0.467,0,0,0,0,399.45,2.29,103.8,1,7,4,0.435,0.675,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=C(c1cccc2c(Cn3cncnc3=O)ccnc12)C12CC(C3CC31)C1CC12
57_8I5G_II260818113747873641485a,CCCCn1cccc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c1=O,-14.5,0.483,0,0,0,0,402.46,2.45,108.7,1,8,6,0.227,0.531,30,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1[nH]cccc1-c1cccc2c(Cn3cncnc3=O)ccnc12
57_8I5G_II260818113747873641565a,CC(C)[NH2+]C(Cc1cccc2c(Cn3cnc(N)nc3=O)ccnc12)C(C)C,-15.1,0.539,1,0,0,0,381.5,1.36,103.3,2,6,7,0.429,0.643,28,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2ccccc12
57_8I5G_II260818113747873642165a,COCc1cc(OC)nc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)n1,-14.1,0.47,0,0,0,0,405.42,1.43,130.9,1,10,6,0.2,0.506,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ncccn3)cccc12
57_8I5G_II260818113747873642323a,C#CCC1(C(=O)c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)CCCCC1,-14.1,0.47,0,0,0,0,401.47,2.97,103.8,1,7,5,0.348,0.521,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=C(c1cccc2c(Cn3cncnc3=O)ccnc12)C1CCCCC1
57_8I5G_II260818113747873642421a,Cc1cc(CCCc2cccc3c(Cn4cnc(N)nc4=O)ccnc23)ccc1F,-14.0,0.467,0,0,0,0,403.46,3.44,86.7,1,6,6,0.217,0.533,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CCCc3ccccc3)cccc12
57_8I5G_II260818113747873642428a,CCC(NC(=O)c1cccc2c(Cn3cnc(N)nc3=O)ccnc12)C1CCOC1,-14.4,0.48,0,0,0,0,408.46,1.36,125.0,2,8,6,0.381,0.631,30,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=C(NCC1CCOC1)c1cccc2c(Cn3cncnc3=O)ccnc12
57_8I5G_II260818113747873642478a,Cc1c(C)c(C)c(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c([O-])c1C,-14.1,0.47,-1,1,0,0,400.46,2.79,109.8,1,7,3,0.217,0.566,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccccc3)cccc12
57_8I5G_II260818113747873642478b,Cc1c(C)c(C)c(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c([O-])c1C,-14.0,0.467,-1,1,0,0,400.46,2.79,109.8,1,7,3,0.217,0.566,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccccc3)cccc12
57_8I5G_II260818113747873642801a,Cc1nc(C2CCCC2)sc1-c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.2,0.473,0,0,0,0,418.53,3.91,99.6,1,8,4,0.318,0.539,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cnc(C4CCCC4)s3)cccc12
57_8I5G_II260818113747873642970a,CC(C)C1Cc2[nH]nc(-c3cccc4c(Cn5cnc(N)nc5=O)ccnc34)c2C1,-15.3,0.51,0,0,0,0,401.47,2.58,115.4,2,7,4,0.318,0.543,30,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3n[nH]c4c3CCC4)cccc12
57_8I5G_II260818113747873643323a,Nc1ncn(Cc2ccnc3c(CCc4ccc5c(c4)CCC5)cccc23)c(=O)n1,-14.7,0.49,0,0,0,0,397.48,3.09,86.7,1,6,5,0.25,0.559,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CCc3ccc4c(c3)CCC4)cccc12
57_8I5G_II260818113747873643477a,CC1(C)C2CC=C(Cc3cccc4c(Cn5cnc(N)nc5=O)ccnc34)C1C2,-14.9,0.514,0,0,0,0,387.49,3.35,86.7,1,6,4,0.391,0.694,29,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC3=CCC4CC3C4)cccc12
57_8I5G_II260818113747873643704a,Nc1ncn(Cc2ccnc3c(CC45CCC(C4)C4CC45)cccc23)c(=O)n1,-14.2,0.507,0,0,0,0,373.46,2.8,86.7,1,6,4,0.455,0.76,28,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC34CCC(C3)C3CC34)cccc12
57_8I5G_II260818113747873644259a,CCc1c(C(F)(F)F)noc1-c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.2,0.473,0,0,0,0,416.36,3.05,112.7,1,8,4,0.211,0.544,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccno3)cccc12
57_8I5G_II260818113747873644259b,CCc1c(C(F)(F)F)noc1-c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.0,0.467,0,0,0,0,416.36,3.05,112.7,1,8,4,0.211,0.544,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccno3)cccc12
57_8I5G_II260818113747873644264a,Nc1ncn(Cc2ccnc3c(CCc4ccc(C5CC5)cc4)cccc23)c(=O)n1,-14.1,0.47,0,0,0,0,397.48,3.48,86.7,1,6,6,0.25,0.538,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CCc3ccc(C4CC4)cc3)cccc12
57_8I5G_II260818113747873644760a,Cc1cc(OC2CC2)cc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c1,-15.0,0.5,0,0,0,0,399.45,3.33,95.9,1,7,5,0.217,0.553,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cccc(OC4CC4)c3)cccc12
57_8I5G_II260818113747873644917a,CCC(Cc1cccc2c(Cn3cnc(N)nc3=O)ccnc12)C(C)=O,-14.7,0.565,0,0,0,0,351.41,1.97,103.8,1,7,6,0.316,0.728,26,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2ccccc12
57_8I5G_II260818113747873644958a,Nc1ncn(Cc2ccnc3c(C4CCC[NH+]4CC4CCCC4)cccc23)c(=O)n1,-14.7,0.49,1,0,0,0,405.53,1.73,91.1,2,6,5,0.478,0.675,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C3CCC[NH+]3CC3CCCC3)cccc12
57_8I5G_II260818113747873644998a,Nc1ncn(Cc2ccnc3c(C(=O)N4OC5C=CC4C5)cccc23)c(=O)n1,-14.2,0.507,0,0,0,0,376.38,0.9,116.2,1,8,3,0.211,0.675,28,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=C(c1cccc2c(Cn3cncnc3=O)ccnc12)N1OC2C=CC1C2
57_8I5G_II260818113747873645009a,Nc1ncn(Cc2ccnc3c(-c4ccnc(C5CCCC5)n4)cccc23)c(=O)n1,-14.8,0.493,0,0,0,0,399.46,2.93,112.5,1,8,4,0.273,0.561,30,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccnc(C4CCCC4)n3)cccc12
57_8I5G_II260818113747873645167a,CCCc1ccc(C(O)c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)cc1,-14.8,0.493,0,0,0,0,401.47,2.85,106.9,2,7,6,0.217,0.514,30,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(Cc3ccccc3)cccc12
57_8I5G_II260818113747873645271a,Nc1ncn(Cc2ccnc3c(CC4CC4c4c[nH]cn4)cccc23)c(=O)n1,-14.2,0.507,0,0,0,0,373.42,1.89,115.4,2,7,5,0.25,0.552,28,19,GLU1545;TYR1548;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;THR1601;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC3CC3c3c[nH]cn3)cccc12
57_8I5G_II260818113747873645331a,Nc1ncn(Cc2ccnc3c(C(=O)NCC4=CCCCC4)cccc23)c(=O)n1,-14.4,0.497,0,0,0,0,390.45,2.05,115.8,2,7,5,0.286,0.644,29,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=C(NCC1=CCCCC1)c1cccc2c(Cn3cncnc3=O)ccnc12
57_8I5G_II260818113747873645571a,CC(C)CC(c1nccs1)c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.5,0.5,0,0,0,0,406.52,3.45,99.6,1,8,6,0.286,0.526,29,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(Cc3nccs3)cccc12
57_8I5G_II260818113747873645571b,CC(C)CC(c1nccs1)c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.4,0.497,0,0,0,0,406.52,3.45,99.6,1,8,6,0.286,0.526,29,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(Cc3nccs3)cccc12
57_8I5G_II260818113747873645738a,COc1ncc(C2CC2)nc1-c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.6,0.487,0,0,0,0,401.43,2.16,121.7,1,9,5,0.238,0.54,30,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cncc(C4CC4)n3)cccc12
57_8I5G_II260818113747873645738b,COc1ncc(C2CC2)nc1-c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.4,0.48,0,0,0,0,401.43,2.16,121.7,1,9,5,0.238,0.54,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cncc(C4CC4)n3)cccc12
57_8I5G_II260818113747873645898a,COC(=O)C1CC(=O)CCC1c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.2,0.473,0,0,0,0,407.43,1.44,130.1,1,9,4,0.333,0.643,30,18,TYR1548;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=C1CCC(c2cccc3c(Cn4cncnc4=O)ccnc23)CC1
57_8I5G_II260818113747873646045a,CC1(C)CC(CC(=O)c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)C(=O)O1,-14.3,0.477,0,0,0,0,407.43,1.73,130.1,1,9,5,0.333,0.5,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=C(CC1CCOC1=O)c1cccc2c(Cn3cncnc3=O)ccnc12
57_8I5G_II260818113747873646171a,Nc1ncn(Cc2ccnc3c([NH2+]C4CCN(c5nccs5)C4)cccc23)c(=O)n1,-14.0,0.467,1,0,0,0,421.51,0.75,119.4,2,9,5,0.25,0.456,30,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;THR1601;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c([NH2+]C3CCN(c4nccs4)C3)cccc12
57_8I5G_II260818113747873646224a,Nc1ncn(Cc2ccnc3c(-c4nc(=O)c5c([nH]4)CCCC5)cccc23)c(=O)n1,-14.1,0.47,0,0,0,0,401.43,1.45,132.4,2,8,3,0.238,0.531,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1nc(-c2cccc3c(Cn4cncnc4=O)ccnc23)[nH]c2c1CCCC2
57_8I5G_II260818113747873646521a,CC(C)[NH2+]c1cc(Cl)nc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)n1,-14.2,0.473,1,0,0,0,423.89,1.53,129.1,2,8,5,0.2,0.465,30,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ncccn3)cccc12
57_8I5G_II260818113747873646558a,Nc1ncn(Cc2ccnc3c(-c4cccc5c4CC(CO)C5)cccc23)c(=O)n1,-14.9,0.497,0,0,0,0,399.45,2.19,106.9,2,7,4,0.217,0.545,30,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cccc4c3CCC4)cccc12
57_8I5G_II260818113747873646563a,CCC1(C(=O)c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)CCCC1,-14.5,0.518,0,0,0,0,377.45,2.97,103.8,1,7,5,0.381,0.686,28,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=C(c1cccc2c(Cn3cncnc3=O)ccnc12)C1CCCC1
57_8I5G_II260818113747873646939a,CC(C)(C)c1nccc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)n1,-14.6,0.503,0,0,0,0,387.45,2.57,112.5,1,8,3,0.238,0.575,29,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccncn3)cccc12
57_8I5G_II260818113747873646939b,CC(C)(C)c1nccc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)n1,-14.5,0.5,0,0,0,0,387.45,2.57,112.5,1,8,3,0.238,0.575,29,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccncn3)cccc12
57_8I5G_II260818113747873647247b,Nc1ncn(Cc2ccnc3c(-c4nc(CC[NH2+]C5CC5)c[nH]4)cccc23)c(=O)n1,-14.2,0.473,1,0,0,0,403.47,0.48,132.0,3,7,7,0.286,0.411,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3nc(CC[NH2+]C4CC4)c[nH]3)cccc12
57_8I5G_II260818113747873647247c,Nc1ncn(Cc2ccnc3c(-c4nc(CC[NH2+]C5CC5)c[nH]4)cccc23)c(=O)n1,-14.1,0.47,1,0,0,0,403.47,0.48,132.0,3,7,7,0.286,0.411,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3nc(CC[NH2+]C4CC4)c[nH]3)cccc12
57_8I5G_II260818113747873648093a,Nc1ncn(Cc2ccnc3c(CCC(=O)N4CCC(=O)CC4)cccc23)c(=O)n1,-14.3,0.477,0,0,0,0,406.45,0.94,124.1,1,8,5,0.333,0.669,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=C1CCN(C(=O)CCc2cccc3c(Cn4cncnc4=O)ccnc23)CC1
57_8I5G_II260818113747873648171a,Nc1ncn(Cc2ccnc3c(COC(C(F)(F)F)C(F)(F)F)cccc23)c(=O)n1,-14.5,0.483,0,0,0,0,433.31,2.83,95.9,1,7,5,0.294,0.622,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;THR1601;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2ccccc12
57_8I5G_II260818113747873648252a,CCc1c(C)cc(C)cc1-c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.3,0.493,0,0,0,0,385.47,3.66,86.7,1,6,4,0.217,0.579,29,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccccc3)cccc12
57_8I5G_II260818113747873648695a,Nc1ncn(Cc2ccnc3c(C4CCc5c(F)cccc5C4)cccc23)c(=O)n1,-14.0,0.467,0,0,0,0,401.45,3.23,86.7,1,6,3,0.217,0.57,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C3CCc4ccccc4C3)cccc12
57_8I5G_II260818113747873648721a,Nc1ncn(Cc2ccnc3c(CC4CC4c4ccc(Cl)cc4)cccc23)c(=O)n1,-14.2,0.473,0,0,0,0,417.9,3.82,86.7,1,6,5,0.217,0.533,30,18,GLU1545;TYR1548;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;THR1601;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC3CC3c3ccccc3)cccc12
57_8I5G_II260818113747873648759a,Nc1ncn(Cc2ccnc3c(CC4Cc5cccc(Cl)c5C4)cccc23)c(=O)n1,-14.4,0.48,0,0,0,0,417.9,3.43,86.7,1,6,4,0.217,0.549,30,17,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC3Cc4ccccc4C3)cccc12
57_8I5G_II260818113747873648839a,CCOCC(c1cccc2c(Cn3cnc(N)nc3=O)ccnc12)C1CC[NH2+]CC1,-14.3,0.477,1,0,0,0,409.51,0.91,112.5,2,7,7,0.455,0.6,30,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC3CC[NH2+]CC3)cccc12
57_8I5G_II260818113747873648874a,Nc1ncn(Cc2ccnc3c(-c4c[nH]c(C5CCC[NH2+]C5)n4)cccc23)c(=O)n1,-14.4,0.48,1,0,0,0,403.47,0.65,132.0,3,7,4,0.286,0.458,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3c[nH]c(C4CCC[NH2+]C4)n3)cccc12
57_8I5G_II260818113747873648926a,CCC1Cc2cc(-c3cccc4c(Cn5cnc(N)nc5=O)ccnc34)ccc2O1,-14.1,0.47,0,0,0,0,399.45,3.2,95.9,1,7,4,0.217,0.566,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccc4c(c3)CCO4)cccc12
57_8I5G_II260818113747873649076a,Nc1ncn(Cc2ccnc3c(-c4ccc([NH2+]C5CCC5)nc4)cccc23)c(=O)n1,-14.0,0.467,1,0,0,0,400.47,1.63,116.2,2,7,5,0.227,0.526,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccc([NH2+]C4CCC4)nc3)cccc12
57_8I5G_II260818113747873649511a,CCc1ccc(Cc2cccc3c(Cn4cnc(N)nc4=O)ccnc23)cc1C[NH3+],-14.0,0.467,1,0,0,0,401.49,1.71,114.3,2,6,6,0.217,0.51,30,19,GLN1541;THR1544;GLU1545;TYR1548;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(Cc3ccccc3)cccc12
57_8I5G_II260818113747873649545a,CCCn1nc(CC)cc1-c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.4,0.497,0,0,0,0,389.46,2.65,104.5,1,8,6,0.286,0.544,29,19,GLN1541;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccn[nH]3)cccc12
57_8I5G_II260818113747873649737b,CCc1cc(CC)c(F)c(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c1,-15.0,0.5,0,0,0,0,403.46,3.75,86.7,1,6,5,0.217,0.548,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccccc3)cccc12
57_8I5G_II260818113747873649865a,CC1CCc2ncnc(-c3cccc4c(Cn5cnc(N)nc5=O)ccnc34)c21,-14.2,0.49,0,0,0,0,385.43,2.32,112.5,1,8,3,0.238,0.576,29,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ncnc4c3CCC4)cccc12
57_8I5G_II260818113747873649898a,Nc1ncn(Cc2ccnc3c(C(=O)NC4CCC(=O)CC4)cccc23)c(=O)n1,-14.0,0.483,0,0,0,0,392.42,1.06,132.9,2,8,4,0.3,0.678,29,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=C1CCC(NC(=O)c2cccc3c(Cn4cncnc4=O)ccnc23)CC1
57_8I5G_II260818113747873649921a,Nc1ncn(Cc2ccnc3c(CCc4n[nH]c(C5CCC5)n4)cccc23)c(=O)n1,-14.3,0.477,0,0,0,0,402.46,1.99,128.3,2,8,6,0.333,0.505,30,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;THR1601;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CCc3n[nH]c(C4CCC4)n3)cccc12
57_8I5G_II260818113747873650316a,Nc1ncn(Cc2ccnc3c([NH2+]C4CCCCC4C(F)(F)F)cccc23)c(=O)n1,-14.1,0.47,1,0,0,0,419.43,2.13,103.3,2,6,4,0.4,0.631,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c([NH2+]C3CCCCC3)cccc12
57_8I5G_II260818113747873650369a,Nc1ncn(Cc2ccnc3c(-c4c(C5CC5)n[nH]c4C4CC4)cccc23)c(=O)n1,-14.5,0.483,0,0,0,0,399.46,2.96,115.4,2,7,5,0.318,0.533,30,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3c(C4CC4)n[nH]c3C3CC3)cccc12
57_8I5G_II260818113747873650515a,CC(C)c1cccc(CCc2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c1,-14.2,0.473,0,0,0,0,399.5,3.73,86.7,1,6,6,0.25,0.534,30,19,GLN1541;GLU1545;TYR1548;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;THR1601;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CCc3ccccc3)cccc12
57_8I5G_II260818113747873650704a,Cc1csc(C(c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)C2CC2)n1,-14.0,0.483,0,0,0,0,404.5,3.12,99.6,1,8,5,0.286,0.549,29,18,GLU1545;TYR1548;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C(c3nccs3)C3CC3)cccc12
57_8I5G_II260818113747873650708a,CC(C)c1n[nH]cc1-c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.1,0.522,0,0,0,0,361.41,2.33,115.4,2,7,4,0.211,0.576,27,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cn[nH]c3)cccc12
57_8I5G_II260818113747873650985a,Nc1ncn(Cc2ccnc3c(CNC(=O)CC4CCOCC4)cccc23)c(=O)n1,-14.7,0.49,0,0,0,0,408.46,1.25,125.0,2,8,6,0.381,0.629,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=C(CC1CCOCC1)NCc1cccc2c(Cn3cncnc3=O)ccnc12
57_8I5G_II260818113747873651068a,Nc1ncn(Cc2ccnc3c(CC[NH+]4CCCC5CCCC54)cccc23)c(=O)n1,-14.2,0.473,1,0,0,0,405.53,1.21,91.1,2,6,5,0.478,0.666,30,20,GLN1541;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC[NH+]3CCCC4CCCC43)cccc12
57_8I5G_II260818113747873651122a,Nc1ncn(Cc2ccnc3c(-c4noc(C=C5CCC5)n4)cccc23)c(=O)n1,-14.2,0.49,0,0,0,0,387.4,2.43,125.6,1,9,4,0.2,0.566,29,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3noc(C=C4CCC4)n3)cccc12
57_8I5G_II260818113747873651574a,Nc1ncn(Cc2ccnc3c(C(=O)C4CC5C[NH2+]CC5C4)cccc23)c(=O)n1,-14.2,0.49,1,0,0,0,391.46,0.22,120.4,2,7,4,0.381,0.614,29,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=C(c1cccc2c(Cn3cncnc3=O)ccnc12)C1CC2C[NH2+]CC2C1
57_8I5G_II260818113747873651775a,Nc1ncn(Cc2ccnc3c(-c4cccc(C5CCC[NH2+]5)n4)cccc23)c(=O)n1,-14.3,0.477,1,0,0,0,400.47,1.28,116.2,2,7,4,0.227,0.533,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cccc(C4CCC[NH2+]4)n3)cccc12
57_8I5G_II260818113747873651835a,Nc1ncn(Cc2ccnc3c(CN4C(=O)C5CCC4C(O)C5)cccc23)c(=O)n1,-14.6,0.487,0,0,0,0,406.45,0.69,127.2,2,8,4,0.381,0.652,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=C1C2CCC(CC2)N1Cc1cccc2c(Cn3cncnc3=O)ccnc12
57_8I5G_II260818113747873652244a,CC(C)c1nc(CO)n(C)c1-c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.2,0.473,0,0,0,0,405.46,1.83,124.7,2,9,5,0.286,0.519,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cnc[nH]3)cccc12
57_8I5G_II260818113747873652497a,Cc1ccccc1CC(C)(O)c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.3,0.477,0,0,0,0,401.47,2.58,106.9,2,7,5,0.217,0.532,30,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CCc3ccccc3)cccc12
57_8I5G_II260818113747873652644a,CC(C)[NH2+]C(c1cccc2c(Cn3cnc(N)nc3=O)ccnc12)C1CC(O)C1,-14.1,0.486,1,0,0,0,395.49,0.6,123.5,3,7,6,0.429,0.562,29,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC3CCC3)cccc12
57_8I5G_II260818113747873652644b,CC(C)[NH2+]C(c1cccc2c(Cn3cnc(N)nc3=O)ccnc12)C1CC(O)C1,-14.0,0.483,1,0,0,0,395.49,0.6,123.5,3,7,6,0.429,0.562,29,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC3CCC3)cccc12
57_8I5G_II260818113747873652696a,Cc1cc(CC(C)C)cc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c1,-15.0,0.5,0,0,0,0,399.5,3.99,86.7,1,6,5,0.25,0.548,30,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccccc3)cccc12
57_8I5G_II260818113747873652702a,Nc1ncn(Cc2ccnc3c(-c4cc(C5CCCCC5)on4)cccc23)c(=O)n1,-14.2,0.473,0,0,0,0,402.46,3.52,112.7,1,8,4,0.318,0.555,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cc(C4CCCCC4)on3)cccc12
57_8I5G_II260818113747873652708a,Nc1ncn(Cc2ccnc3c(-c4c(N)sc5c4CCC5)cccc23)c(=O)n1,-14.4,0.514,0,0,0,0,390.47,2.62,112.7,2,8,3,0.2,0.556,28,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3csc4c3CCC4)cccc12
57_8I5G_II260818113747873652768a,CCOc1ccc(C)cc1Cc1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.5,0.483,0,0,0,0,401.47,3.11,95.9,1,7,6,0.217,0.533,30,19,GLN1541;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(Cc3ccccc3)cccc12
57_8I5G_II260818113747873652824a,C[NH+](c1cccc2c(Cn3cnc(N)nc3=O)ccnc12)C1CC2CCC1C2,-14.1,0.504,1,0,0,0,377.47,1.15,91.1,2,6,4,0.429,0.712,28,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c([NH2+]C3CC4CCC3C4)cccc12
57_8I5G_II260818113747873652916b,CCCC(c1cccc2c(Cn3cnc(N)nc3=O)ccnc12)C1CCCC[NH2+]1,-14.2,0.49,1,0,0,0,393.52,1.82,103.3,2,6,6,0.455,0.665,29,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC3CCCC[NH2+]3)cccc12
57_8I5G_II260818113747873653185b,Cc1[nH]c(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c(C)c1CC(C)C,-14.6,0.487,0,0,0,0,402.5,3.63,102.5,2,6,5,0.304,0.531,30,17,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccc[nH]3)cccc12
57_8I5G_II260818113747873653284a,Nc1ncn(Cc2ccnc3c(C4CC(=O)N(C5CCCC5)C4)cccc23)c(=O)n1,-14.2,0.473,0,0,0,0,404.47,2.08,107.0,1,7,4,0.409,0.713,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=C1CC(c2cccc3c(Cn4cncnc4=O)ccnc23)CN1C1CCCC1
57_8I5G_II260818113747873653296a,C[NH+]1C2CCC1CC(CCc1cccc3c(Cn4cnc(N)nc4=O)ccnc13)C2,-14.2,0.473,1,0,0,0,405.53,1.21,91.1,2,6,5,0.478,0.666,30,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;THR1601;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CCC3CC4CCC(C3)[NH2+]4)cccc12
57_8I5G_II260818113747873653431a,CCC1CCCC1=NNC(=O)c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.3,0.477,0,0,0,0,405.46,2.11,128.1,2,8,5,0.333,0.626,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=C(NN=C1CCCC1)c1cccc2c(Cn3cncnc3=O)ccnc12
57_8I5G_II260818113747873653483a,CC(C)CC(c1ccccn1)c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-16.2,0.54,0,0,0,0,400.49,3.39,99.6,1,7,6,0.261,0.532,30,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(Cc3ccccn3)cccc12
57_8I5G_II260818113747873653623a,CC(C)C(c1ccccc1F)c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.4,0.48,0,0,0,0,403.46,3.74,86.7,1,6,5,0.217,0.548,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(Cc3ccccc3)cccc12
57_8I5G_II260818113747873654173a,Nc1ncn(Cc2ccnc3c(C4CCC(c5ccccc5)C4)cccc23)c(=O)n1,-14.5,0.483,0,0,0,0,397.48,3.87,86.7,1,6,4,0.25,0.565,30,17,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C3CCC(c4ccccc4)C3)cccc12
57_8I5G_II260818113747873654428a,CC1CCC[NH+]1CCCCCc1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.0,0.467,1,0,0,0,407.54,1.6,91.1,2,6,8,0.478,0.554,30,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CCCCC[NH+]3CCCC3)cccc12
57_8I5G_II260818113747873654446a,CC(C)(C)c1ccnc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c1,-14.0,0.483,0,0,0,0,386.46,3.18,99.6,1,7,3,0.227,0.58,29,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccccn3)cccc12
57_8I5G_II260818113747873654499a,Nc1ncn(Cc2ccnc3c(C4CCCC5CCCC54)cccc23)c(=O)n1,-14.1,0.504,0,0,0,0,375.48,3.5,86.7,1,6,3,0.455,0.757,28,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C3CCCC4CCCC43)cccc12
57_8I5G_II260818113747873654732a,Nc1ncn(Cc2ccnc3c(C(=O)NCC4CC5C=CC4C5)cccc23)c(=O)n1,-14.2,0.473,0,0,0,0,402.46,1.76,115.8,2,7,5,0.318,0.628,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=C(NCC1CC2C=CC1C2)c1cccc2c(Cn3cncnc3=O)ccnc12
57_8I5G_II260818113747873654790a,Nc1ncn(Cc2ccnc3c(CNC(=O)CC4CCCCO4)cccc23)c(=O)n1,-14.4,0.48,0,0,0,0,408.46,1.39,125.0,2,8,6,0.381,0.631,30,18,GLU1545;TYR1548;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;THR1601;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=C(CC1CCCCO1)NCc1cccc2c(Cn3cncnc3=O)ccnc12
57_8I5G_II260818113747873654790b,Nc1ncn(Cc2ccnc3c(CNC(=O)CC4CCCCO4)cccc23)c(=O)n1,-14.4,0.48,0,0,0,0,408.46,1.39,125.0,2,8,6,0.381,0.631,30,19,GLU1545;TYR1548;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;THR1601;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=C(CC1CCCCO1)NCc1cccc2c(Cn3cncnc3=O)ccnc12
57_8I5G_II260818113747873655327a,Cc1nc(C2CCCO2)[nH]c1-c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-15.0,0.5,0,0,0,0,403.45,2.37,124.6,2,8,4,0.286,0.536,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cnc(C4CCCO4)[nH]3)cccc12
57_8I5G_II260818113747873655469a,C#CC[NH+](Cc1cccc2c(Cn3cnc(N)nc3=O)ccnc12)C1CCCCC1,-14.3,0.477,1,0,0,0,403.51,1.17,91.1,2,6,6,0.391,0.603,30,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C[NH2+]C3CCCCC3)cccc12
57_8I5G_II260818113747873655767a,Nc1ncn(Cc2ccnc3c(C(=O)C4CC5CC4CCC5O)cccc23)c(=O)n1,-14.6,0.487,0,0,0,0,405.46,1.8,124.0,2,8,4,0.409,0.634,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=C(c1cccc2c(Cn3cncnc3=O)ccnc12)C1CC2CCCC1C2
57_8I5G_II260818113747873656116a,Nc1ncn(Cc2ccnc3c(-c4cncc5c4CCCC5[NH3+])cccc23)c(=O)n1,-15.5,0.517,1,0,0,0,400.47,1.5,127.2,2,7,3,0.227,0.536,30,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cncc4c3CCCC4)cccc12
57_8I5G_II260818113747873656121a,Nc1ncn(Cc2ccnc3c(CC4(c5cccs5)CCCC4)cccc23)c(=O)n1,-14.6,0.487,0,0,0,0,417.54,3.93,86.7,1,7,5,0.304,0.532,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC3(c4cccs4)CCCC3)cccc12
57_8I5G_II260818113747873656123a,Nc1ncn(Cc2ccnc3c(-c4csc(C5CC[NH2+]CC5)n4)cccc23)c(=O)n1,-14.2,0.473,1,0,0,0,420.52,1.38,116.2,2,8,4,0.286,0.515,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3csc(C4CC[NH2+]CC4)n3)cccc12
57_8I5G_II260818113747873656161a,CCCCCc1c(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)o[nH]c1=O,-14.7,0.49,0,0,0,0,406.45,2.5,132.7,2,8,7,0.286,0.451,30,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1cc(-c2cccc3c(Cn4cncnc4=O)ccnc23)o[nH]1
57_8I5G_II260818113747873656218a,Nc1ncn(Cc2ccnc3c(CC4(O)CCCc5occc54)cccc23)c(=O)n1,-14.5,0.483,0,0,0,0,403.44,2.18,120.1,2,8,4,0.273,0.536,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC3CCCc4occc43)cccc12
57_8I5G_II260818113747873656629a,Nc1ncn(Cc2ccnc3c([NH2+]C4CCCC4C4CCCC4)cccc23)c(=O)n1,-14.5,0.483,1,0,0,0,405.53,2.37,103.3,2,6,5,0.478,0.634,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c([NH2+]C3CCCC3C3CCCC3)cccc12
57_8I5G_II260818113747873656734a,Nc1ncn(Cc2ccnc3c(C4CCCC4n4cccn4)cccc23)c(=O)n1,-14.4,0.497,0,0,0,0,387.45,2.52,104.5,1,8,4,0.286,0.577,29,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C3CCCC3n3cccn3)cccc12
57_8I5G_II260818113747873656837a,CCC(c1nc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)no1)[NH+](C)C,-14.2,0.473,1,0,0,0,407.46,0.46,130.1,2,9,6,0.3,0.471,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ncon3)cccc12
57_8I5G_II260818113747873656846a,CCC(C)(CC)c1noc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)n1,-14.1,0.47,0,0,0,0,405.46,2.94,125.6,1,9,6,0.333,0.519,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ncno3)cccc12
57_8I5G_II260818113747873656864a,CCc1cc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c(CC)s1,-14.0,0.5,0,0,0,0,391.5,3.67,86.7,1,7,5,0.238,0.561,28,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccsc3)cccc12
57_8I5G_II260818113747873656865a,Nc1ncn(Cc2ccnc3c(C[NH+]4CCCC4c4cc[nH]n4)cccc23)c(=O)n1,-14.3,0.477,1,0,0,0,403.47,0.46,119.8,3,7,5,0.286,0.445,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C[NH+]3CCCC3c3cc[nH]n3)cccc12
57_8I5G_II260818113747873656875a,C=CC1OCCC1CNC(=O)c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.2,0.473,0,0,0,0,406.45,1.14,125.0,2,8,6,0.286,0.588,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=C(NCC1CCOC1)c1cccc2c(Cn3cncnc3=O)ccnc12
57_8I5G_II260818113747873656958a,Nc1ncn(Cc2ccnc3c(-c4cccc(C5CCC5)c4)cccc23)c(=O)n1,-14.9,0.514,0,0,0,0,383.46,3.75,86.7,1,6,4,0.217,0.58,29,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cccc(C4CCC4)c3)cccc12
57_8I5G_II260818113747873656974a,Cc1cc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)cc(C(C)C)c1,-14.6,0.503,0,0,0,0,385.47,3.92,86.7,1,6,4,0.217,0.575,29,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccccc3)cccc12
57_8I5G_II260818113747873657233a,CC1(C)C(=O)C2(c3cccc4c(Cn5cnc(N)nc5=O)ccnc34)C=CC1CC2,-14.0,0.467,0,0,0,0,401.47,2.63,103.8,1,7,3,0.348,0.677,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=C1CC2C=CC1(c1cccc3c(Cn4cncnc4=O)ccnc13)CC2
57_8I5G_II260818113747873657629a,Nc1ncn(Cc2ccnc3c(CCC(=O)C4CC5CCC4C5)cccc23)c(=O)n1,-14.4,0.48,0,0,0,0,403.49,2.75,103.8,1,7,6,0.435,0.679,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=C(CCc1cccc2c(Cn3cncnc3=O)ccnc12)C1CC2CCC1C2
57_8I5G_II260818113747873657853a,CC1CC=CCC1[NH2+]c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.6,0.541,1,0,0,0,363.45,1.37,103.3,2,6,4,0.3,0.538,27,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c([NH2+]C3CC=CCC3)cccc12
57_8I5G_II260818113747873658055a,Nc1ncn(Cc2ccnc3c(CNC(=O)C4CC5CCC4O5)cccc23)c(=O)n1,-14.1,0.47,0,0,0,0,406.45,1.0,125.0,2,8,5,0.381,0.647,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;THR1601;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=C(NCc1cccc2c(Cn3cncnc3=O)ccnc12)C1CC2CCC1O2
57_8I5G_II260818113747873658163a,Nc1ncn(Cc2ccnc3c(-c4ccn(C5CCCC5)c4)cccc23)c(=O)n1,-14.5,0.5,0,0,0,0,386.46,3.4,91.6,1,7,4,0.273,0.58,29,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccn(C4CCCC4)c3)cccc12
57_8I5G_II260818113747873658169a,CC(C)N1CC(Cc2cccc3c(Cn4cnc(N)nc4=O)ccnc23)CC1=O,-14.1,0.486,0,0,0,0,392.46,1.62,107.0,1,7,5,0.381,0.707,29,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=C1CC(Cc2cccc3c(Cn4cncnc4=O)ccnc23)CN1
57_8I5G_II260818113747873658314a,Nc1ncn(Cc2ccnc3c(-c4cccc(C5CCC5)c4[O-])cccc23)c(=O)n1,-15.1,0.503,-1,1,0,0,398.45,2.83,109.7,1,7,4,0.217,0.566,30,17,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cccc(C4CCC4)c3)cccc12
57_8I5G_II260818113747873658374a,CCC(CC)n1ncc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c1C,-14.1,0.47,0,0,0,0,403.49,3.35,104.5,1,8,6,0.318,0.529,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cn[nH]c3)cccc12
57_8I5G_II260818113747873658474a,Nc1ncn(Cc2ccnc3c(C(=O)NCC4C=CCC4)cccc23)c(=O)n1,-14.5,0.518,0,0,0,0,376.42,1.51,115.8,2,7,5,0.25,0.652,28,17,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=C(NCC1C=CCC1)c1cccc2c(Cn3cncnc3=O)ccnc12
57_8I5G_II260818113747873658523a,Nc1ncn(Cc2ccnc3c(-c4ncoc4C4CC4)cccc23)c(=O)n1,-14.0,0.519,0,0,0,0,360.38,2.35,112.7,1,8,4,0.211,0.594,27,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ncoc3C3CC3)cccc12
57_8I5G_II260818113747873659121a,Nc1ncn(Cc2ccnc3c(-c4ccnn4CC4CCOC4)cccc23)c(=O)n1,-14.0,0.467,0,0,0,0,403.45,1.72,113.7,1,9,5,0.286,0.54,30,19,GLN1541;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccnn3CC3CCOC3)cccc12
57_8I5G_II260818113747873659249a,CCCc1nc(C)cc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)n1,-14.3,0.493,0,0,0,0,387.45,2.53,112.5,1,8,5,0.238,0.56,29,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccncn3)cccc12
57_8I5G_II260818113747873659309a,CC(C)Cc1cccc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c1[O-],-15.1,0.503,-1,1,0,0,400.46,2.76,109.8,1,7,5,0.217,0.552,30,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccccc3)cccc12
57_8I5G_II260818113747873659385a,CCCCC(c1cccc2c(Cn3cnc(N)nc3=O)ccnc12)C1CCCC[NH2+]1,-14.1,0.47,1,0,0,0,407.54,2.21,103.3,2,6,7,0.478,0.625,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC3CCCC[NH2+]3)cccc12
57_8I5G_II260818113747873659646a,Nc1ncn(Cc2ccnc3c(C(CC4CCCCC4)C(=O)[O-])cccc23)c(=O)n1,-14.5,0.483,-1,1,1,0,406.47,1.62,126.8,1,8,6,0.409,0.659,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CCC3CCCCC3)cccc12
57_8I5G_II260818113747873659662a,CC(C)CCCNC(=O)c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.3,0.511,0,0,0,0,380.45,1.98,115.8,2,7,7,0.35,0.606,28,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2ccccc12
57_8I5G_II260818113747873659846a,Nc1ncn(Cc2ccnc3c(-c4cccc(SCC5CC5)c4)cccc23)c(=O)n1,-14.5,0.483,0,0,0,0,415.52,3.99,86.7,1,7,6,0.217,0.479,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;THR1601;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cccc(SCC4CC4)c3)cccc12
57_8I5G_II260818113747873659862a,COCc1c(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)n[nH]c1C,-14.0,0.5,0,0,0,0,377.41,1.66,124.6,2,8,5,0.211,0.542,28,20,GLN1541;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cc[nH]n3)cccc12
57_8I5G_II260818113747873660212a,CCC1CCC(O)C(c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)[NH2+]1,-14.0,0.5,1,0,0,0,381.46,0.35,123.5,3,7,4,0.4,0.599,28,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C3CCCC[NH2+]3)cccc12
57_8I5G_II260818113747873660397a,Nc1ncn(Cc2ccnc3c(-c4nc(C5CCCCC5)cs4)cccc23)c(=O)n1,-14.1,0.47,0,0,0,0,418.53,3.99,99.6,1,8,4,0.318,0.538,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3nc(C4CCCCC4)cs3)cccc12
57_8I5G_II260818113747873660472a,Cc1cc(C(C)[NH2+]c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)cs1,-14.1,0.504,1,0,0,0,393.5,2.14,103.3,2,7,5,0.2,0.506,28,20,GLN1541;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c([NH2+]Cc3ccsc3)cccc12
57_8I5G_II260818113747873660532a,C[NH+](C)C(Cc1cccc2c(Cn3cnc(N)nc3=O)ccnc12)c1ccccn1,-14.7,0.49,1,0,0,0,402.48,0.64,104.0,2,7,6,0.227,0.491,30,19,GLN1541;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CCc3ccccn3)cccc12
57_8I5G_II260818113747873660625a,Nc1ncn(Cc2ccnc3c(-c4cc(C5CCOCC5)on4)cccc23)c(=O)n1,-14.1,0.47,0,0,0,0,404.43,2.37,122.0,1,9,4,0.286,0.55,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cc(C4CCOCC4)on3)cccc12
57_8I5G_II260818113747873660691a,CC1CCc2[nH]nc(-c3cccc4c(Cn5cnc(N)nc5=O)ccnc34)c2C1,-14.2,0.49,0,0,0,0,387.45,2.33,115.4,2,7,3,0.286,0.557,29,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3n[nH]c4c3CCCC4)cccc12
57_8I5G_II260818113747873660850a,COC(C)c1nccc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)n1,-14.1,0.486,0,0,0,0,389.42,1.98,121.7,1,9,5,0.2,0.55,29,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccncn3)cccc12
57_8I5G_II260818113747873661020a,Nc1ncn(Cc2ccnc3c([NH2+]C4C5CCC4CC5)cccc23)c(=O)n1,-14.4,0.533,1,0,0,0,363.45,1.2,103.3,2,6,4,0.4,0.678,27,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c([NH2+]C3C4CCC3CC4)cccc12
57_8I5G_II260818113747873661020b,Nc1ncn(Cc2ccnc3c([NH2+]C4C5CCC4CC5)cccc23)c(=O)n1,-14.3,0.53,1,0,0,0,363.45,1.2,103.3,2,6,4,0.4,0.678,27,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c([NH2+]C3C4CCC3CC4)cccc12
57_8I5G_II260818113747873661605a,Nc1cnc2c(c1)CC(c1cccc3c(Cn4cnc(N)nc4=O)ccnc13)CC2,-14.1,0.47,0,0,0,0,399.46,2.07,125.6,2,8,3,0.227,0.54,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C3CCc4ncccc4C3)cccc12
57_8I5G_II260818113747873661726a,Nc1ncn(Cc2ccnc3c([NH2+]C4CC4C4CCCCC4)cccc23)c(=O)n1,-14.1,0.486,1,0,0,0,391.5,1.98,103.3,2,6,5,0.455,0.647,29,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;THR1601;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c([NH2+]C3CC3C3CCCCC3)cccc12
57_8I5G_II260818113747873661900a,CCC1C[NH2+]CCC1Cc1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.7,0.525,1,0,0,0,379.49,0.97,103.3,2,6,5,0.429,0.687,28,19,GLN1541;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC3CC[NH2+]CC3)cccc12
57_8I5G_II260818113747873662313a,CCc1ccc(CC)c(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c1,-14.8,0.51,0,0,0,0,385.47,3.61,86.7,1,6,5,0.217,0.567,29,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccccc3)cccc12
57_8I5G_II260818113747873662380a,Nc1ncn(Cc2ccnc3c(C(=O)C4CCCc5[nH]ncc54)cccc23)c(=O)n1,-14.0,0.467,0,0,0,0,401.43,1.84,132.4,2,8,4,0.238,0.499,30,20,GLN1541;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=C(c1cccc2c(Cn3cncnc3=O)ccnc12)C1CCCc2[nH]ncc21
57_8I5G_II260818113747873662586a,CCN(CC)c1c(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c1=O,-14.4,0.514,0,0,0,0,376.42,1.57,107.0,1,8,6,0.25,0.544,28,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1cc1-c1cccc2c(Cn3cncnc3=O)ccnc12
57_8I5G_II260818113747873663079a,CC(C)c1nc(N)sc1-c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.1,0.504,0,0,0,0,393.48,2.65,125.6,2,9,4,0.211,0.546,28,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cncs3)cccc12
57_8I5G_II260818113747873663485a,CCCc1nc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c(CCC)s1,-14.5,0.483,0,0,0,0,420.54,3.85,99.6,1,8,7,0.318,0.487,30,21,GLN1541;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cscn3)cccc12
57_8I5G_II260818113747873663714a,Cc1cc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c(C)n1CC(C)C,-14.1,0.47,0,0,0,0,402.5,3.56,91.6,1,7,5,0.304,0.551,30,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cc[nH]c3)cccc12
57_8I5G_II260818113747873663724a,Nc1ncn(Cc2ccnc3c(-c4c(C5CC5)[nH]cnc4=O)cccc23)c(=O)n1,-14.0,0.483,0,0,0,0,387.4,1.44,132.4,2,8,4,0.2,0.541,29,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1nc[nH]c(C2CC2)c1-c1cccc2c(Cn3cncnc3=O)ccnc12
57_8I5G_II260818113747873663735a,Nc1ncn(Cc2ccnc3c(CC4CCCC(C(F)(F)F)C4)cccc23)c(=O)n1,-14.0,0.467,0,0,0,0,417.44,3.73,86.7,1,6,4,0.429,0.699,30,19,GLN1541;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC3CCCCC3)cccc12
57_8I5G_II260818113747873663761a,Nc1ncn(Cc2ccnc3c(C45CC4C[NH+](CC4CC4)C5)cccc23)c(=O)n1,-14.1,0.486,1,0,0,0,389.48,0.38,91.1,2,6,5,0.455,0.659,29,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C34CC3C[NH+](CC3CC3)C4)cccc12
57_8I5G_II260818113747873664068a,CCCCc1nc(C)oc1-c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.0,0.483,0,0,0,0,390.45,3.12,112.7,1,8,6,0.286,0.538,29,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cnco3)cccc12
57_8I5G_II260818113747873664199a,CC(=O)Cn1nc(C)c(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c1C,-14.7,0.49,0,0,0,0,403.45,1.89,121.6,1,9,5,0.238,0.54,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cn[nH]c3)cccc12
57_8I5G_II260818113747873664483a,Nc1ncn(Cc2ccnc3c(-c4nc(C5CCCCC5)no4)cccc23)c(=O)n1,-14.3,0.477,0,0,0,0,403.45,2.91,125.6,1,9,4,0.333,0.551,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3nc(C4CCCCC4)no3)cccc12
57_8I5G_II260818113747873664523a,Cc1ccc(C(CC(C)C)c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)o1,-15.3,0.51,0,0,0,0,403.49,3.9,99.8,1,7,6,0.304,0.524,30,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(Cc3ccco3)cccc12
57_8I5G_II260818113747873664657a,C#CCNC(=O)C(CC(C)C)c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.4,0.48,0,0,0,0,404.47,1.7,115.8,2,7,7,0.318,0.579,30,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2ccccc12
57_8I5G_II260818113747873664746a,Cc1nc(C(C)(F)F)[nH]c1-c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.3,0.493,0,0,0,0,397.39,2.63,115.4,2,7,4,0.211,0.547,29,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cnc[nH]3)cccc12
57_8I5G_II260818113747873664867a,CSc1nnc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c(C)c1C,-14.0,0.483,0,0,0,0,405.49,2.61,112.5,1,9,4,0.2,0.516,29,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cccnn3)cccc12
57_8I5G_II260818113747873664925a,CCCc1oc(=O)cc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c1C,-15.0,0.5,0,0,0,0,403.44,2.7,116.9,1,8,5,0.227,0.544,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1cc(-c2cccc3c(Cn4cncnc4=O)ccnc23)cco1
57_8I5G_II260818113747873664929a,Nc1ncn(Cc2ccnc3c(C[NH+]4CCCCC45CC5)cccc23)c(=O)n1,-14.4,0.514,1,0,0,0,377.47,0.92,91.1,2,6,4,0.429,0.706,28,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C[NH+]3CCCCC34CC4)cccc12
57_8I5G_II260818113747873665448a,COc1ccc2c(c1)C(Cc1cccc3c(Cn4cnc(N)nc4=O)ccnc13)C2,-14.8,0.493,0,0,0,0,399.45,2.71,95.9,1,7,5,0.217,0.554,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC3Cc4ccccc43)cccc12
57_8I5G_II260818113747873665513a,C[NH2+]CCC(c1ccccn1)c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-15.1,0.503,1,0,0,0,402.48,0.93,116.2,2,7,7,0.227,0.475,30,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(Cc3ccccn3)cccc12
57_8I5G_II260818113747873665556a,Cc1cc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c(C)n1CC1CC1,-14.5,0.483,0,0,0,0,400.49,3.31,91.6,1,7,5,0.304,0.555,30,17,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccn(CC4CC4)c3)cccc12
57_8I5G_II260818113747873665789a,Nc1ncn(Cc2ccnc3c(CC4(O)Cc5ccccc5C4)cccc23)c(=O)n1,-14.5,0.483,0,0,0,0,399.45,1.89,106.9,2,7,4,0.217,0.543,30,19,GLN1541;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC3Cc4ccccc4C3)cccc12
57_8I5G_II260818113747873665985a,Nc1ncn(Cc2ccnc3c(CC4C[NH+]5CCC4CC5)cccc23)c(=O)n1,-14.7,0.525,1,0,0,0,377.47,0.28,91.1,2,6,4,0.429,0.682,28,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC3C[NH+]4CCC3CC4)cccc12
57_8I5G_II260818113747873666058a,Nc1ncn(Cc2ccnc3c(-c4cc(C5CCCC5)ncn4)cccc23)c(=O)n1,-14.7,0.49,0,0,0,0,399.46,2.93,112.5,1,8,4,0.273,0.561,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cc(C4CCCC4)ncn3)cccc12
57_8I5G_II260818113747873666142a,CC(C)Cc1cccnc1-c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.0,0.483,0,0,0,0,386.46,3.08,99.6,1,7,5,0.227,0.566,29,19,GLN1541;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccccn3)cccc12
57_8I5G_II260818113747873666190a,Nc1ncn(Cc2ccnc3c(C4CC4Cc4ccccc4)cccc23)c(=O)n1,-14.1,0.486,0,0,0,0,383.46,3.16,86.7,1,6,5,0.217,0.572,29,18,GLN1541;GLU1545;TYR1548;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C3CC3Cc3ccccc3)cccc12
57_8I5G_II260818113747873666343a,Cc1c(CC(F)(F)F)n[nH]c1-c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.1,0.47,0,0,0,0,415.38,2.62,115.4,2,7,4,0.211,0.529,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccn[nH]3)cccc12
57_8I5G_II260818113747873666538a,CCc1c(C)nc(C)nc1-c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.4,0.497,0,0,0,0,387.45,2.45,112.5,1,8,4,0.238,0.572,29,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccncn3)cccc12
57_8I5G_II260818113747873666785a,Cc1nc(N(C)C)nc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c1C,-14.5,0.483,0,0,0,0,402.46,1.96,115.7,1,9,4,0.238,0.551,30,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccncn3)cccc12
57_8I5G_II260818113747873666974a,C=C1C2CC3CCC2C(Oc2cccc4c(Cn5cnc(N)nc5=O)ccnc24)C13,-15.6,0.52,0,0,0,0,401.47,2.8,95.9,1,7,4,0.391,0.676,30,19,GLN1541;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,C=C1C2CC3CCC2C(Oc2cccc4c(Cn5cncnc5=O)ccnc24)C13
57_8I5G_II260818113747873667048a,CC(C)c1occc1-c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.0,0.519,0,0,0,0,361.41,3.2,99.8,1,7,4,0.2,0.599,27,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccoc3)cccc12
57_8I5G_II260818113747873667100a,Nc1ncn(Cc2ccnc3c(CC4CCC5[NH2+]CCC5O4)cccc23)c(=O)n1,-14.2,0.49,1,0,0,0,393.47,0.24,112.5,2,7,4,0.429,0.657,29,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC3CCC4[NH2+]CCC4O3)cccc12
57_8I5G_II260818113747873667137a,Nc1ncn(Cc2ccnc3c(-c4cncc(C5CCC[NH2+]5)n4)cccc23)c(=O)n1,-14.4,0.48,1,0,0,0,401.45,0.67,129.1,2,8,4,0.238,0.514,30,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;THR1601;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cncc(C4CCC[NH2+]4)n3)cccc12
57_8I5G_II260818113747873667244a,Nc1ncn(Cc2ccnc3c(CC4CCCCC4[NH3+])cccc23)c(=O)n1,-14.1,0.522,1,0,0,0,365.46,1.16,114.3,2,6,4,0.4,0.72,27,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC3CCCCC3)cccc12
57_8I5G_II260818113747873667260a,Cc1[nH]nc(C(C)C)c1-c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.1,0.504,0,0,0,0,375.44,2.64,115.4,2,7,4,0.25,0.566,28,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cn[nH]c3)cccc12
57_8I5G_II260818113747873667268a,Nc1ncn(Cc2ccnc3c(C(=O)NCC4=CCCC4)cccc23)c(=O)n1,-14.6,0.521,0,0,0,0,376.42,1.66,115.8,2,7,5,0.25,0.654,28,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=C(NCC1=CCCC1)c1cccc2c(Cn3cncnc3=O)ccnc12
57_8I5G_II260818113747873667368a,Nc1ncn(Cc2ccnc3c(CC45CCC=CC4CCC5)cccc23)c(=O)n1,-14.1,0.486,0,0,0,0,387.49,3.5,86.7,1,6,4,0.391,0.693,29,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC34CCC=CC3CCC4)cccc12
57_8I5G_II260818113747873667368b,Nc1ncn(Cc2ccnc3c(CC45CCC=CC4CCC5)cccc23)c(=O)n1,-14.1,0.486,0,0,0,0,387.49,3.5,86.7,1,6,4,0.391,0.693,29,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC34CCC=CC3CCC4)cccc12
57_8I5G_II260818113747873667472a,Cc1oc(C=CC(C)C)nc1-c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.3,0.477,0,0,0,0,402.46,3.45,112.7,1,8,5,0.227,0.544,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cocn3)cccc12
57_8I5G_II260818113747873667962a,CC1CCc2c1nn(C)c2-c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.4,0.497,0,0,0,0,387.45,2.27,104.5,1,8,3,0.286,0.578,29,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3[nH]nc4c3CCC4)cccc12
57_8I5G_II260818113747873668046a,Nc1ncn(Cc2ccnc3c(-c4ccc(C5CCCCC5)[nH]4)cccc23)c(=O)n1,-15.5,0.517,0,0,0,0,400.49,3.86,102.5,2,6,4,0.304,0.541,30,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccc(C4CCCCC4)[nH]3)cccc12
57_8I5G_II260818113747873668153a,Cc1cc2c(c(-c3cccc4c(Cn5cnc(N)nc5=O)ccnc34)c1)OC(C)C2,-15.3,0.51,0,0,0,0,399.45,3.12,95.9,1,7,3,0.217,0.569,30,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cccc4c3OCC4)cccc12
57_8I5G_II260818113747873668168a,CC(c1cccc2c(Cn3cnc(N)nc3=O)ccnc12)C1OC2(C)CCCC1O2,-14.2,0.473,0,0,0,0,407.47,2.6,105.2,1,8,4,0.455,0.709,30,20,GLN1541;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC3OC4CCCC3O4)cccc12
57_8I5G_II260818113747873668733a,CC(C)C(c1ccc(F)cc1)c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.6,0.487,0,0,0,0,403.46,3.74,86.7,1,6,5,0.217,0.548,30,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(Cc3ccccc3)cccc12
57_8I5G_II260818113747873668748a,Nc1ncn(Cc2ccnc3c(-c4nc([O-])c5n4CCC5)cccc23)c(=O)n1,-14.0,0.5,-1,1,0,0,374.38,0.7,127.6,1,9,3,0.211,0.559,28,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ncc4n3CCC4)cccc12
57_8I5G_II260818113747873668894a,CC(C(=O)Cc1cccc2c(Cn3cnc(N)nc3=O)ccnc12)c1ncco1,-14.6,0.503,0,0,0,0,390.4,1.72,129.8,1,9,6,0.2,0.527,29,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=C(Cc1ncco1)Cc1cccc2c(Cn3cncnc3=O)ccnc12
57_8I5G_II260818113747873669014a,Nc1ncn(Cc2ccnc3c(CC4C5C[NH+](C6CCC6)CC45)cccc23)c(=O)n1,-15.0,0.5,1,0,0,0,403.51,0.67,91.1,2,6,5,0.478,0.654,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC3C4C[NH+](C5CCC5)CC34)cccc12
57_8I5G_II260818113747873669221a,Nc1ncn(Cc2ccnc3c(-c4noc(CC5C=CCC5)n4)cccc23)c(=O)n1,-14.4,0.48,0,0,0,0,401.43,2.38,125.6,1,9,5,0.238,0.505,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3noc(CC4C=CCC4)n3)cccc12
57_8I5G_II260818113747873669683a,CC(C)(C)[NH+]1CCC(c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)C1,-14.0,0.5,1,0,0,0,379.49,0.99,91.1,2,6,3,0.429,0.708,28,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C3CC[NH2+]C3)cccc12
57_8I5G_II260818113747873669742a,Nc1ncn(Cc2ccnc3c(C(=O)C[NH+]4CC5CCC(C5)C4)cccc23)c(=O)n1,-14.0,0.467,1,0,0,0,405.48,0.31,108.2,2,7,5,0.409,0.592,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;THR1601;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=C(C[NH+]1CC2CCC(C2)C1)c1cccc2c(Cn3cncnc3=O)ccnc12
57_8I5G_II260818113747873670124a,Nc1ncn(Cc2ccnc3c(Cc4nnc(C5CCCC5)o4)cccc23)c(=O)n1,-14.4,0.48,0,0,0,0,403.45,2.45,125.6,1,9,5,0.333,0.538,30,18,GLU1545;TYR1548;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;THR1601;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(Cc3nnc(C4CCCC4)o3)cccc12
57_8I5G_II260818113747873670522a,Cc1ccccc1CC(C)[NH2+]c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-15.1,0.503,1,0,0,0,401.49,1.95,103.3,2,6,6,0.217,0.481,30,17,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c([NH2+]CCc3ccccc3)cccc12
57_8I5G_II260818113747873670783a,Nc1ncn(Cc2ccnc3c(Cn4cc(C5CCCC5)nn4)cccc23)c(=O)n1,-14.6,0.487,0,0,0,0,402.46,2.11,117.4,1,9,5,0.333,0.543,30,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(Cn3cc(C4CCCC4)nn3)cccc12
57_8I5G_II260818113747873670783b,Nc1ncn(Cc2ccnc3c(Cn4cc(C5CCCC5)nn4)cccc23)c(=O)n1,-14.2,0.473,0,0,0,0,402.46,2.11,117.4,1,9,5,0.333,0.543,30,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(Cn3cc(C4CCCC4)nn3)cccc12
57_8I5G_II260818113747873670847a,Cc1nc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c(C2CCC2)[nH]1,-14.6,0.503,0,0,0,0,387.45,2.78,115.4,2,7,4,0.286,0.556,29,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3nc[nH]c3C3CCC3)cccc12
57_8I5G_II260818113747873670889a,Nc1ncn(Cc2ccnc3c(C[NH2+]C4CCc5sc(Cl)cc54)cccc23)c(=O)n1,-14.1,0.47,1,0,0,0,439.95,2.28,103.3,2,7,5,0.238,0.496,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C[NH2+]C3CCc4sccc43)cccc12
57_8I5G_II260818113747873671803a,CC1C[NH2+]CC1Cc1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.2,0.546,1,0,0,0,351.43,0.19,103.3,2,6,4,0.368,0.698,26,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC3CC[NH2+]C3)cccc12
57_8I5G_II260818113747873671864a,CCOC1CCCC1c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.3,0.53,0,0,0,0,365.44,2.49,95.9,1,7,5,0.4,0.746,27,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C3CCCC3)cccc12
57_8I5G_II260818113747873671930a,CCCC1CCCC(C[NH3+])(c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)C1,-14.0,0.467,1,0,0,0,407.54,2.29,114.3,2,6,6,0.478,0.651,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C3CCCCC3)cccc12
57_8I5G_II260818113747873672002a,CC(C)Oc1oc([O-])c(Cl)c1-c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.0,0.467,-1,1,0,0,426.84,2.59,132.1,1,9,5,0.2,0.515,30,20,GLN1541;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccoc3)cccc12
57_8I5G_II260818113747873672233a,CC([NH2+]c1cccc2c(Cn3cnc(N)nc3=O)ccnc12)c1nc(C2CC2)cs1,-14.0,0.467,1,0,0,0,420.52,2.11,116.2,2,8,6,0.286,0.462,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;THR1601;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c([NH2+]Cc3nc(C4CC4)cs3)cccc12
57_8I5G_II260818113747873672388a,Nc1ncn(Cc2ccnc3c(CC4(c5ccc(F)cc5)CC4)cccc23)c(=O)n1,-14.0,0.467,0,0,0,0,401.45,3.23,86.7,1,6,5,0.217,0.555,30,19,GLN1541;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC3(c4ccccc4)CC3)cccc12
57_8I5G_II260818113747873672522b,CCCc1onc(C)c1-c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.0,0.5,0,0,0,0,376.42,2.73,112.7,1,8,5,0.25,0.57,28,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cnoc3)cccc12
57_8I5G_II260818113747873672753a,Nc1ncn(Cc2ccnc3c(CC4CC4c4ccc(F)cc4)cccc23)c(=O)n1,-14.2,0.473,0,0,0,0,401.45,3.3,86.7,1,6,5,0.217,0.554,30,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;THR1601;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CC3CC3c3ccccc3)cccc12
57_8I5G_II260818113747873672781a,Cc1[nH]c(=O)c(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c2c1CCC2,-14.4,0.48,0,0,0,0,400.44,1.97,119.5,2,7,3,0.227,0.543,30,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1[nH]cc2c(c1-c1cccc3c(Cn4cncnc4=O)ccnc13)CCC2
57_8I5G_II260818113747873672893a,Cc1c(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)nnn1CC1CCC1,-14.2,0.473,0,0,0,0,402.46,2.18,117.4,1,9,5,0.333,0.544,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cn(CC4CCC4)nn3)cccc12
57_8I5G_II260818113747873673096a,C[NH+]1CC2CC=C(Oc3cccc4c(Cn5cnc(N)nc5=O)ccnc34)C(C2)C1,-14.0,0.467,1,0,0,0,405.48,0.63,100.4,2,7,4,0.364,0.661,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(OC3=CCC4C[NH2+]CC3C4)cccc12
57_8I5G_II260818113747873673272a,Cc1cc(C[NH+](C)C)cc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c1,-15.0,0.5,1,0,0,0,401.49,1.44,91.1,2,6,5,0.217,0.528,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccccc3)cccc12
57_8I5G_II260818113747873673434a,Nc1ncn(Cc2ccnc3c(C(=O)C45CCCC(C[NH2+]4)C5)cccc23)c(=O)n1,-14.1,0.486,1,0,0,0,391.46,0.51,120.4,2,7,4,0.381,0.625,29,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=C(c1cccc2c(Cn3cncnc3=O)ccnc12)C12CCCC(C[NH2+]1)C2
57_8I5G_II260818113747873674056a,Nc1ncn(Cc2ccnc3c(Cc4ccc(C5CC5)[nH]4)cccc23)c(=O)n1,-14.8,0.529,0,0,0,0,372.43,2.61,102.5,2,6,5,0.238,0.561,28,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;THR1601;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(Cc3ccc(C4CC4)[nH]3)cccc12
57_8I5G_II260818113747873674056b,Nc1ncn(Cc2ccnc3c(Cc4ccc(C5CC5)[nH]4)cccc23)c(=O)n1,-14.4,0.514,0,0,0,0,372.43,2.61,102.5,2,6,5,0.238,0.561,28,18,GLU1545;TYR1548;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;THR1601;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(Cc3ccc(C4CC4)[nH]3)cccc12
57_8I5G_II260818113747873674056c,Nc1ncn(Cc2ccnc3c(Cc4ccc(C5CC5)[nH]4)cccc23)c(=O)n1,-14.3,0.511,0,0,0,0,372.43,2.61,102.5,2,6,5,0.238,0.561,28,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(Cc3ccc(C4CC4)[nH]3)cccc12
57_8I5G_II260818113747873674101a,CC1CCCC(O)C1[NH2+]c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.2,0.507,1,0,0,0,381.46,0.56,123.5,3,7,4,0.4,0.568,28,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c([NH2+]C3CCCCC3)cccc12
57_8I5G_II260818113747873674134a,CC(C)(O)c1cccc(Cc2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c1,-14.3,0.477,0,0,0,0,401.47,2.64,106.9,2,7,5,0.217,0.532,30,18,GLU1545;TYR1548;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(Cc3ccccc3)cccc12
57_8I5G_II260818113747873674181a,COC1CC([NH2+]c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)C1(C)C,-14.5,0.518,1,0,0,0,381.46,0.83,112.5,2,7,5,0.4,0.633,28,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c([NH2+]C3CCC3)cccc12
57_8I5G_II260818113747873674195a,Cc1ccc(C(O)Cc2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c(C)c1,-14.2,0.473,0,0,0,0,401.47,2.71,106.9,2,7,5,0.217,0.532,30,19,GLN1541;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(CCc3ccccc3)cccc12
57_8I5G_II260818113747873674231a,Nc1ncn(Cc2ccnc3c(C(=O)N4CC(F)(C5CC5)C4)cccc23)c(=O)n1,-14.0,0.483,0,0,0,0,394.41,1.39,107.0,1,7,4,0.35,0.717,29,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=C(c1cccc2c(Cn3cncnc3=O)ccnc12)N1CC(C2CC2)C1
57_8I5G_II260818113747873674267a,Cc1nc(C2CC2)ccc1-c1cccc2c(Cn3cnc(N)nc3=O)ccnc12,-14.0,0.483,0,0,0,0,384.44,3.06,99.6,1,7,4,0.227,0.58,29,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccc(C4CC4)nc3)cccc12
57_8I5G_II260818113747873674367a,C[NH+]1CCc2c(sc(N)c2-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)C1,-14.4,0.48,1,0,0,0,420.52,0.7,117.1,3,8,3,0.238,0.449,30,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3csc4c3CC[NH2+]C4)cccc12
57_8I5G_II260818113747873674415a,Nc1ncn(Cc2ccnc3c(C[NH2+]C4CCCC4)cccc23)c(=O)n1,-14.0,0.538,1,0,0,0,351.43,0.82,103.3,2,6,5,0.368,0.708,26,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C[NH2+]C3CCCC3)cccc12
57_8I5G_II260818113747873674734a,CCCCc1nc(C)cc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)n1,-14.1,0.47,0,0,0,0,401.47,2.93,112.5,1,8,6,0.273,0.528,30,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;THR1601;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccncn3)cccc12
57_8I5G_II260818113747873674917a,CC(C)[NH+](Cc1cccc2c(Cn3cnc(N)nc3=O)ccnc12)c1ccccn1,-14.2,0.473,1,0,0,0,402.48,1.34,104.0,2,7,6,0.227,0.504,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C[NH2+]c3ccccn3)cccc12
57_8I5G_II260818113747873675185a,Nc1ncn(Cc2ccnc3c(C4C5=C(CC=CC5)CCC4O)cccc23)c(=O)n1,-14.0,0.467,0,0,0,0,401.47,2.7,106.9,2,7,3,0.304,0.654,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C3CCCC4=C3CC=CC4)cccc12
57_8I5G_II260818113747873675318a,Nc1ncn(Cc2ccnc3c(C[NH2+]CC#CC4CC4)cccc23)c(=O)n1,-14.1,0.522,1,0,0,0,361.43,0.29,103.3,2,6,5,0.3,0.502,27,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(C[NH2+]CC#CC3CC3)cccc12
57_8I5G_II260818113747873675542a,Nc1ncn(Cc2ccnc3c([NH2+]C4C5CC6CC(C5)CC4C6)cccc23)c(=O)n1,-14.0,0.467,1,0,0,0,403.51,1.84,103.3,2,6,4,0.478,0.647,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c([NH2+]C3C4CC5CC(C4)CC3C5)cccc12
57_8I5G_II260818113747873675563a,CC1CCc2cccc(-c3cccc4c(Cn5cnc(N)nc5=O)ccnc34)c2C1,-14.4,0.48,0,0,0,0,397.48,3.61,86.7,1,6,3,0.25,0.571,30,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cccc4c3CCCC4)cccc12
57_8I5G_II260818113747873675585a,Nc1ncn(Cc2ccnc3c(C(=O)C(=O)NCC4CCC4)cccc23)c(=O)n1,-14.1,0.486,0,0,0,0,392.42,0.92,132.9,2,8,6,0.3,0.471,29,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=C(NCC1CCC1)C(=O)c1cccc2c(Cn3cncnc3=O)ccnc12
57_8I5G_II260818113747873675776a,Nc1ncn(Cc2ccnc3c(-c4ccoc4C4CC4)cccc23)c(=O)n1,-14.3,0.53,0,0,0,0,359.39,2.95,99.8,1,7,4,0.2,0.601,27,18,TYR1548;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccoc3C3CC3)cccc12
57_8I5G_II260818113747873675807a,Nc1ncn(Cc2ccnc3c(OC4CCC([NH3+])CC4)cccc23)c(=O)n1,-14.1,0.522,1,0,0,0,367.43,0.75,123.6,2,7,4,0.368,0.701,27,18,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(OC3CCCCC3)cccc12
57_8I5G_II260818113747873675823a,Nc1ncn(Cc2ccnc3c(C(=O)N4CCC5COCC5C4)cccc23)c(=O)n1,-14.0,0.467,0,0,0,0,406.45,0.93,116.2,1,8,3,0.381,0.688,30,19,TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;PHE1594;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=C(c1cccc2c(Cn3cncnc3=O)ccnc12)N1CCC2COCC2C1
57_8I5G_II260818113747873675901a,Nc1ncn(Cc2ccnc3c(-c4ncccc4[NH2+]C4CCC4)cccc23)c(=O)n1,-14.0,0.467,1,0,0,0,400.47,1.63,116.2,2,7,5,0.227,0.526,30,19,GLN1541;GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ncccc3[NH2+]C3CCC3)cccc12
57_8I5G_II260818113747873675971a,Nc1ncn(Cc2ccnc3c(-c4cc(C5CC[NH2+]CC5)ns4)cccc23)c(=O)n1,-14.0,0.467,1,0,0,0,420.52,1.38,116.2,2,8,4,0.286,0.515,30,20,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;THR1601;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3cc(C4CC[NH2+]CC4)ns3)cccc12
57_8I5G_II260818113747873676033a,CCCc1cc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)cc(C)n1,-14.3,0.493,0,0,0,0,386.46,3.14,99.6,1,7,5,0.227,0.566,29,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccncc3)cccc12
57_8I5G_II260818113747873676137a,CC([NH2+]c1cccc2c(Cn3cnc(N)nc3=O)ccnc12)C1Cc2ccccc21,-14.1,0.47,1,0,0,0,399.48,1.74,103.3,2,6,5,0.217,0.498,30,18,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c([NH2+]CC3Cc4ccccc43)cccc12
57_8I5G_II260818113747873676350a,Nc1ncn(Cc2ccnc3c(CC(=O)NC4CCCCC4F)cccc23)c(=O)n1,-14.3,0.477,0,0,0,0,410.45,1.76,115.8,2,7,5,0.381,0.662,30,18,GLU1545;TYR1548;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;THR1601;PHE1609;ARG1613;ALA1615;ARG1616;ARG1619,O=C(Cc1cccc2c(Cn3cncnc3=O)ccnc12)NC1CCCCC1
57_8I5G_II260818113747873676386a,Cc1cc(-c2cccc3c(Cn4cnc(N)nc4=O)ccnc23)c([O-])c(C(C)C)c1,-14.5,0.483,-1,1,0,0,400.46,2.99,109.8,1,7,4,0.217,0.564,30,19,GLU1545;TYR1548;TRP1549;ASN1551;VAL1552;ILE1555;ILE1588;SER1589;GLY1592;MET1593;ALA1596;ASP1597;GLU1600;PHE1609;ILE1612;ARG1613;ALA1615;ARG1616;ARG1619,O=c1ncncn1Cc1ccnc2c(-c3ccccc3)cccc12