design_id,structure_file,smiles,vina_kcal_mol,ligand_efficiency,mw,heavy_atoms,tpsa,tpsa_vs_VH032,clogp,hbd,hba,rotatable_bonds,rings,aromatic_rings,fsp3,qed,formal_charge,halogens,n_hbonds,n_backbone_hbonds,his110_backbone_hbond,ser111_hbond,n_pi_stacking,best_pi_score,n_hydrophobic
41_9GIO_II2609030927446755179286a,structures/41_9GIO_II2609030927446755179286a_complex.pdb,Cc1cccc(-n2cnnc2CCC[C@@]2(O)CCOc3c(-c4ccn5nc(N)nc5c4)cc(F)cc32)c1,-13.5,-0.3649,499.55,37,116.38,4.75,4.0,2,7,6,6,5,0.259,0.363,0,1,2,1,1,0,1,0.863,6
41_9GIO_II2609030927446755240185a,structures/41_9GIO_II2609030927446755240185a_complex.pdb,CC(C)C1CCC(NC(=O)[C@@]2(O)CCOc3c(-c4ccn5nc(N)nc5c4)cc(F)cc32)CC1,-12.3,-0.3618,467.55,34,114.77,3.14,3.42,3,6,4,5,3,0.48,0.542,0,1,2,1,1,0,1,0.931,5
41_9GIO_II2609030927446755214455a,structures/41_9GIO_II2609030927446755214455a_complex.pdb,Cc1ccc(C)c(C[NH+]2CCOC([C@@]3(O)CCOc4c(-c5ccn6nc(N)nc6c5)cc(F)cc43)C2)c1,-12.1,-0.327,504.59,37,99.34,-12.29,2.19,3,6,4,6,4,0.357,0.394,1,1,2,1,1,0,2,0.623,5
41_9GIO_II2609030927446755175346a,structures/41_9GIO_II2609030927446755175346a_complex.pdb,C[NH2+]C(C)(Cc1ccccc1)C[C@@]1(O)CCOc2c(-c3ccn4nc(N)nc4c3)cc(F)cc21,-12.0,-0.3529,462.55,34,102.28,-9.35,2.67,3,5,6,5,4,0.308,0.409,1,1,2,1,1,0,1,0.899,7
41_9GIO_II2609030927446755194871a,structures/41_9GIO_II2609030927446755194871a_complex.pdb,Cc1cccc2c1CC(C(=O)[C@@]1(O)CCOc3c(-c4ccn5nc(N)nc5c4)cc(F)cc31)C2=O,-11.8,-0.3371,472.48,35,119.81,8.18,3.02,2,7,3,6,4,0.231,0.44,0,1,3,1,1,0,2,0.879,6
41_9GIO_II2609030927446755176042a,structures/41_9GIO_II2609030927446755176042a_complex.pdb,C[NH+](CC(O)c1csc2ccccc12)C[C@@]1(O)CCOc2c(-c3ccn4nc(N)nc4c3)cc(F)cc21,-11.7,-0.3162,520.61,37,110.34,-1.29,2.55,4,7,6,6,5,0.259,0.274,1,1,2,1,1,0,2,0.531,7
41_9GIO_II2608301057166807539068a,structures/41_9GIO_II2608301057166807539068a_complex.pdb,Cn1ncc2ccc(C3(O)C[NH+](CC(O)c4cccc(-c5ccccc5Cl)c4)C3)cc21,-11.5,-0.371,434.95,31,62.72,-48.91,2.71,3,3,5,5,4,0.24,0.452,1,1,2,2,1,0,2,0.38,8
41_9GIO_II2609030927446755228325a,structures/41_9GIO_II2609030927446755228325a_complex.pdb,CCC([NH2+]C[C@@]1(O)CCOc2c(-c3ccn4nc(N)nc4c3)cc(F)cc21)c1ccc(OC)cc1,-11.5,-0.3286,478.55,35,111.51,-0.12,2.81,3,6,7,5,4,0.308,0.377,1,1,2,1,1,0,1,0.966,6
41_9GIO_II2609030927446755229094a,structures/41_9GIO_II2609030927446755229094a_complex.pdb,Nc1nc2cc(-c3cc(F)cc4c3OCC[C@]4(O)CNC(=O)Cc3cc(F)c(F)cc3Cl)ccn2n1,-11.5,-0.3194,517.9,36,114.77,3.14,3.38,3,6,5,5,4,0.208,0.35,0,4,2,1,1,0,1,0.835,5
41_9GIO_II260903093942179613171a,structures/41_9GIO_II260903093942179613171a_complex.pdb,Cn1ncc2ccc(C3(O)CN(C(=O)c4cc(-c5cccc(Cl)c5)nc(N)n4)C3)cc21,-11.5,-0.371,434.89,31,110.16,-1.47,2.61,2,6,3,5,4,0.182,0.513,0,1,3,2,1,0,3,1.0,6
41_9GIO_II2609030927446755193436a,structures/41_9GIO_II2609030927446755193436a_complex.pdb,Nc1nc2cc(-c3cc(F)cc4c3OCC[C@]4(O)CN=Cc3c[nH]c4ccccc34)ccn2n1,-11.4,-0.3353,456.48,34,113.82,2.19,3.69,3,6,4,6,5,0.16,0.357,0,1,2,1,1,0,2,0.613,5
41_9GIO_II2609030927446755201056a,structures/41_9GIO_II2609030927446755201056a_complex.pdb,Cc1c(F)cccc1CNC(=O)C[C@@]1(O)CCOc2c(-c3ccn4nc(N)nc4c3)cc(F)cc21,-11.4,-0.3257,479.49,35,114.77,3.14,3.24,3,6,5,5,4,0.24,0.405,0,2,2,1,1,0,1,0.461,7
41_9GIO_II2608301057166807258387a,structures/41_9GIO_II2608301057166807258387a_complex.pdb,Cn1ncc2ccc(C3(O)CN(C(=O)Cn4cc(-c5cccc6cnccc56)cn4)C3)cc21,-11.3,-0.3424,438.49,33,89.07,-22.56,2.72,1,5,4,6,5,0.2,0.466,0,0,2,2,1,0,1,0.337,7
41_9GIO_II2608301057166807367651a,structures/41_9GIO_II2608301057166807367651a_complex.pdb,Cn1ncc2ccc(C3(O)C[NH+](CCc4cc(-c5ccccc5)c5ccc(N)nc5n4)C3)cc21,-11.3,-0.3324,451.55,34,94.29,-17.34,2.09,3,5,5,6,5,0.222,0.381,1,0,3,2,1,0,1,0.336,6
41_9GIO_II2608301057166807548423a,structures/41_9GIO_II2608301057166807548423a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4nnc(-c5cc(F)cc(-c6cccnc6)c5)o4)C3)cc21,-11.2,-0.3394,442.45,33,93.1,-18.53,3.53,1,7,4,6,5,0.167,0.455,0,1,3,2,1,0,3,0.59,7
41_9GIO_II2609030927446755200022a,structures/41_9GIO_II2609030927446755200022a_complex.pdb,Nc1nc2cc(-c3cc(F)cc4c3OCC[C@]4(O)CC(O)CN3CCCc4ccc(F)cc43)ccn2n1,-11.2,-0.3027,507.54,37,109.14,-2.49,3.43,3,7,5,6,4,0.333,0.38,0,2,3,2,1,0,2,0.995,4
41_9GIO_II2609030927446755206703a,structures/41_9GIO_II2609030927446755206703a_complex.pdb,Nc1nc2cc(-c3cc(F)cc4c3OCC[C@]4(O)CC[NH2+]Cc3cnc4ccccc4c3)ccn2n1,-11.2,-0.3111,485.54,36,115.17,3.54,2.79,3,6,6,6,5,0.222,0.319,1,1,2,1,1,0,2,0.973,7
41_9GIO_II2609030927446755231955a,structures/41_9GIO_II2609030927446755231955a_complex.pdb,Nc1nc2cc(-c3cc(F)cc4c3OCC[C@]4(O)CCCNC(=O)c3ccc(F)cc3)ccn2n1,-11.2,-0.32,479.49,35,114.77,3.14,3.44,3,6,6,5,4,0.24,0.365,0,2,2,1,1,0,2,0.874,6
41_9GIO_II2609030927446755239110a,structures/41_9GIO_II2609030927446755239110a_complex.pdb,Nc1nc2cc(-c3cc(F)cc4c3OCC[C@]4(O)C3CCN(c4ccn5ccnc5c4)CC3)ccn2n1,-11.2,-0.3027,499.55,37,106.21,-5.42,3.65,2,7,3,7,5,0.296,0.39,0,1,2,1,1,0,1,0.947,4
41_9GIO_II2608301057166807172679a,structures/41_9GIO_II2608301057166807172679a_complex.pdb,Cc1ccc(-c2cccc(CC(O)C[NH+]3CC(O)(c4ccc5cnn(C)c5c4)C3)c2)c(C)c1,-11.1,-0.3364,442.58,33,62.72,-48.91,2.55,3,3,6,5,4,0.321,0.43,1,0,2,2,1,0,1,0.999,6
41_9GIO_II2608301057166807190778a,structures/41_9GIO_II2608301057166807190778a_complex.pdb,Cn1ncc2ccc(C3(O)CN(C(=O)N4CCCC(c5nc6ccccc6o5)C4)C3)cc21,-11.1,-0.3469,431.5,32,87.63,-24.0,3.22,1,5,2,6,4,0.375,0.527,0,0,2,2,1,0,2,0.998,7
41_9GIO_II2609030927446755201254a,structures/41_9GIO_II2609030927446755201254a_complex.pdb,Cc1cc(N2CC([C@@]3(O)CCOc4c(-c5ccn6nc(N)nc6c5)cc(F)cc43)C2)n2nc(C)cc2n1,-11.1,-0.3,500.54,37,119.1,7.47,2.88,2,8,3,7,5,0.308,0.388,0,1,2,1,1,0,1,0.919,4
41_9GIO_II2609030927446755215688a,structures/41_9GIO_II2609030927446755215688a_complex.pdb,CCCC1C[NH+](Cc2cncn2C)CC1[C@@]1(O)CCOc2c(-c3ccn4nc(N)nc4c3)cc(F)cc21,-11.1,-0.3,506.61,37,107.93,-3.7,1.95,3,6,6,6,4,0.444,0.369,1,1,2,1,1,0,2,0.84,3
41_9GIO_II2609030927446755235081a,structures/41_9GIO_II2609030927446755235081a_complex.pdb,Cc1ccc2[nH]c(=O)ccc2c1CC[C@@]1(O)CCOc2c(-c3ccn4nc(N)nc4c3)cc(F)cc21,-11.1,-0.3083,485.52,36,118.53,6.9,3.87,3,6,4,6,5,0.222,0.356,0,1,2,1,1,0,3,0.929,3
41_9GIO_II260903093942179623256a,structures/41_9GIO_II260903093942179623256a_complex.pdb,Cn1ncc2ccc(C3(O)CN(C(=O)c4cc(-c5ccc(I)cc5I)nc(N)n4)C3)cc21,-11.1,-0.3469,652.23,32,110.16,-1.47,3.17,2,6,3,5,4,0.182,0.33,0,2,3,2,1,1,2,0.873,8
41_9GIO_II260903094122044109191a,structures/41_9GIO_II260903094122044109191a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5CCCc4cnoc4)C3)cc21,-11.1,-0.3469,427.51,32,81.9,-29.73,4.31,1,5,6,6,5,0.32,0.437,0,0,2,2,1,0,2,1.0,6
41_9GIO_II2608301057166807604331a,structures/41_9GIO_II2608301057166807604331a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4cccc(-c5ccc(-c6ccccc6)o5)c4)C3)cc21,-11.0,-0.3438,421.5,32,54.43,-57.2,5.21,1,4,4,6,5,0.148,0.433,0,0,1,1,1,0,2,0.254,7
41_9GIO_II2608301057166807665014a,structures/41_9GIO_II2608301057166807665014a_complex.pdb,Cn1ncc2ccc(C3(O)CN(C(=O)NCc4cccc(-c5cccnc5)c4)C3)cc21,-11.0,-0.3548,413.48,31,83.28,-28.35,3.05,2,4,4,5,4,0.208,0.539,0,0,2,2,1,0,2,0.47,7
41_9GIO_II260903093942179600753a,structures/41_9GIO_II260903093942179600753a_complex.pdb,Cn1ncc2ccc(C3(O)CN(C(=O)c4cc(-c5ccc(Cl)cc5I)nc(N)n4)C3)cc21,-11.0,-0.3438,560.78,32,110.16,-1.47,3.21,2,6,3,5,4,0.182,0.373,0,2,4,2,1,1,1,0.627,7
41_9GIO_II2608301057166807158127a,structures/41_9GIO_II2608301057166807158127a_complex.pdb,CC(c1cn(C(CO)Cc2ccccc2)nn1)[NH+]1CC(O)(c2ccc3cnn(C)c3c2)C1,-10.9,-0.3406,433.54,32,93.43,-18.2,0.79,3,5,7,5,4,0.375,0.401,1,0,3,2,1,0,3,0.873,6
41_9GIO_II2608301057166807170659a,structures/41_9GIO_II2608301057166807170659a_complex.pdb,Cn1ncc2ccc(C3(O)CN(C(=O)C[NH+]4CCC(c5n[nH]c(C6CC6)n5)CC4)C3)cc21,-10.9,-0.3406,436.54,32,104.37,-7.26,0.06,3,5,5,6,3,0.565,0.525,1,0,2,2,1,0,2,0.81,6
41_9GIO_II2608301057166807300658a,structures/41_9GIO_II2608301057166807300658a_complex.pdb,Cc1noc(CCc2cccc3ccccc23)c1N1CC(O)(c2ccc3cnn(C)c3c2)C1,-10.9,-0.3303,438.53,33,67.32,-44.31,4.52,1,5,5,6,5,0.259,0.437,0,0,2,2,1,0,2,0.92,6
41_9GIO_II2608301057166807576184a,structures/41_9GIO_II2608301057166807576184a_complex.pdb,Cn1ncc2ccc(C3(O)C[NH+](Cc4cn5cc(C[NH+]6CCCCC6)ccc5n4)C3)cc21,-10.9,-0.3406,432.57,32,64.23,-47.4,0.08,3,3,5,6,4,0.44,0.419,2,0,3,2,1,0,2,0.978,6
41_9GIO_II2609030927446755208262a,structures/41_9GIO_II2609030927446755208262a_complex.pdb,Nc1nc2cc(-c3cc(F)cc4c3OCC[C@]4(O)c3cn(CCc4cccc(F)c4)nn3)ccn2n1,-10.9,-0.3028,489.49,36,116.38,4.75,3.11,2,7,5,6,5,0.2,0.39,0,2,2,1,1,0,1,0.952,6
41_9GIO_II260903094005033413464a,structures/41_9GIO_II260903094005033413464a_complex.pdb,O[C@H](CNc1ncnc2c1ccn2Cc1cc(F)ccc1Cl)c1c(F)cccc1F,-10.9,-0.3633,432.83,30,62.97,-48.66,4.7,2,4,6,4,4,0.143,0.464,0,4,3,3,1,0,1,0.973,5
41_9GIO_II260903094043940629917a,structures/41_9GIO_II260903094043940629917a_complex.pdb,O[C@H](CNc1ncc([NH+]2CCC3CCCCC32)c2[nH]ccc12)c1c(F)cccc1F,-10.9,-0.3633,413.49,30,65.38,-46.25,3.47,4,3,5,5,3,0.435,0.518,1,2,3,3,1,0,0,0,7
41_9GIO_II260903094043940633119a,structures/41_9GIO_II260903094043940633119a_complex.pdb,O[C@H](CNc1ncc(-c2nc(Cl)ccc2F)c2[nH]ccc12)c1c(F)cccc1F,-10.9,-0.3759,418.81,29,73.83,-37.8,4.84,3,4,5,4,4,0.1,0.405,0,4,2,2,1,0,0,0,7
41_9GIO_II260903094122044104171a,structures/41_9GIO_II260903094122044104171a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5CC=C4CCCC4)C3)cc21,-10.9,-0.3516,412.54,31,55.87,-55.76,5.19,1,3,4,6,4,0.385,0.47,0,0,2,2,1,0,2,0.923,8
41_9GIO_II260903094122044123327a,structures/41_9GIO_II260903094122044123327a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5-c4cc(C5CCC5)on4)C3)cc21,-10.9,-0.3303,439.52,33,81.9,-29.73,4.93,1,5,4,7,5,0.346,0.429,0,0,2,2,1,0,4,0.796,7
41_9GIO_II2608301057166807283253a,structures/41_9GIO_II2608301057166807283253a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4cc(-c5ccccc5)nc(-c5ccc(Br)cc5)n4)C3)cc21,-10.8,-0.3176,512.41,34,67.07,-44.56,5.17,1,5,4,6,5,0.148,0.36,0,1,3,2,1,0,4,1.0,6
41_9GIO_II2608301057166807475606a,structures/41_9GIO_II2608301057166807475606a_complex.pdb,Cc1ccc(-c2cc(-c3ccccc3)cc(N3CC(O)(c4ccc5cnn(C)c5c4)C3)n2)cc1,-10.8,-0.3176,446.55,34,54.18,-57.45,5.32,1,4,4,6,5,0.172,0.406,0,0,3,2,1,0,4,0.958,6
41_9GIO_II2608301057166807573941a,structures/41_9GIO_II2608301057166807573941a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4ccc(CCC[NH3+])c(-c5ccc(F)cc5)c4)C3)cc21,-10.8,-0.3375,431.54,32,68.93,-42.7,3.26,2,3,6,5,4,0.269,0.492,1,1,2,2,1,0,3,0.992,6
41_9GIO_II2608301057166807589436a,structures/41_9GIO_II2608301057166807589436a_complex.pdb,Cc1cc(N2CC(O)(c3ccc4cnn(C)c4c3)C2)ccc1-c1ccnc2ccccc12,-10.8,-0.3375,420.52,32,54.18,-57.45,4.8,1,4,3,6,5,0.185,0.455,0,0,2,2,1,0,1,0.644,8
41_9GIO_II2609030927446755181803a,structures/41_9GIO_II2609030927446755181803a_complex.pdb,CC(O)c1cc2c(c([C@@]3(O)CCOc4c(-c5ccn6nc(N)nc6c5)cc(F)cc43)c1)OCC2(C)C,-10.8,-0.3,490.54,36,115.13,3.5,3.86,3,7,3,6,4,0.333,0.399,0,1,2,1,1,0,1,0.922,4
41_9GIO_II2609030927446755196681a,structures/41_9GIO_II2609030927446755196681a_complex.pdb,Nc1nc2cc(-c3cc(F)cc4c3OCC[C@]4(O)C(=O)CC3CCCc4cccnc43)ccn2n1,-10.8,-0.3086,473.51,35,115.63,4.0,3.56,2,7,4,6,4,0.308,0.466,0,1,2,1,1,0,1,0.916,4
41_9GIO_II2609030927446755222216a,structures/41_9GIO_II2609030927446755222216a_complex.pdb,Cc1cc(C)c2[nH]c(=O)cc(C[C@@]3(O)CCOc4c(-c5ccn6nc(N)nc6c5)cc(F)cc43)c2c1,-10.8,-0.3,485.52,36,118.53,6.9,3.79,3,6,3,6,5,0.222,0.358,0,1,2,1,1,0,1,0.721,5
41_9GIO_II260903094122044115277a,structures/41_9GIO_II260903094122044115277a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5C4C5CCC(C5)C4(C)C)C3)cc21,-10.8,-0.3273,440.59,33,55.87,-55.76,5.69,1,3,3,7,4,0.5,0.446,0,0,1,1,1,0,1,0.905,8
41_9GIO_II260830105510330176302a,structures/41_9GIO_II260830105510330176302a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4cccc(C5CCc6ccc(N)cc6C5)n4)C3)cc21,-10.7,-0.3344,425.54,32,80.2,-31.43,3.53,2,5,3,6,4,0.308,0.491,0,0,2,2,1,0,2,0.37,5
41_9GIO_II2608301057166807245855a,structures/41_9GIO_II2608301057166807245855a_complex.pdb,Cn1ncc2ccc(C3(O)CN(C(=O)c4cccc(-c5cc(F)ccc5F)n4)C3)cc21,-10.7,-0.3452,420.42,31,71.25,-40.38,3.26,1,4,3,5,4,0.174,0.552,0,2,2,2,1,0,1,0.981,8
41_9GIO_II2608301057166807260990a,structures/41_9GIO_II2608301057166807260990a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4nccn5c(Cc6ccc(F)cc6)nnc45)C3)cc21,-10.7,-0.3344,429.46,32,84.37,-27.26,2.45,1,6,4,6,5,0.217,0.473,0,1,2,1,1,0,2,0.999,7
41_9GIO_II2608301057166807270520a,structures/41_9GIO_II2608301057166807270520a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4cc(-c5nccs5)cc(-c5ccc(F)cc5Cl)c4)C3)cc21,-10.7,-0.3147,490.99,34,54.18,-57.45,5.86,1,5,4,6,5,0.154,0.342,0,2,2,2,1,0,2,0.954,6
41_9GIO_II2608301057166807281302a,structures/41_9GIO_II2608301057166807281302a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4ccc(C(F)(F)F)cc4OCCc4ccccc4)C3)cc21,-10.7,-0.3147,467.49,34,50.52,-61.11,4.92,1,4,6,5,4,0.269,0.437,0,3,2,2,1,0,3,0.934,6
41_9GIO_II2608301057166807316563a,structures/41_9GIO_II2608301057166807316563a_complex.pdb,Cn1ncc2ccc(C3(O)CN(C(=O)C4CC5CC[NH+](CCc6ccccc6)CC5O4)C3)cc21,-10.7,-0.3147,461.59,34,72.03,-39.6,0.91,2,4,5,6,3,0.481,0.593,1,0,2,2,1,0,0,0,6
41_9GIO_II260830105716680733309a,structures/41_9GIO_II260830105716680733309a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4ccccc4CN4C(=O)C(=O)c5cc(F)ccc54)C3)cc21,-10.7,-0.3147,456.48,34,78.67,-32.96,3.15,1,5,4,6,4,0.192,0.478,0,1,1,1,1,0,1,0.49,4
41_9GIO_II2608301057166807554367a,structures/41_9GIO_II2608301057166807554367a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4nc5ccc(Cl)cc5nc4OCc4ccccc4)C3)cc21,-10.7,-0.3147,471.95,34,76.3,-35.33,4.46,1,6,5,6,5,0.192,0.408,0,1,2,2,1,0,2,0.285,5
41_9GIO_II2608301057166807629057a,structures/41_9GIO_II2608301057166807629057a_complex.pdb,Cn1ncc2ccc(C3(O)C[NH+](CCC=C(c4ccccc4F)c4ccccc4Br)C3)cc21,-10.7,-0.3242,507.43,33,42.49,-69.14,4.08,2,2,6,5,4,0.222,0.413,1,2,2,2,1,0,3,0.999,6
41_9GIO_II260830105716680792286a,structures/41_9GIO_II260830105716680792286a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4nc(-c5ccc(Br)cc5)nn4-c4ccccc4)C3)cc21,-10.7,-0.3242,501.39,33,72.0,-39.63,4.29,1,5,4,6,5,0.16,0.398,0,1,2,2,1,0,0,0,7
41_9GIO_II2609030927446755206433a,structures/41_9GIO_II2609030927446755206433a_complex.pdb,Cc1ccc(CNC(=O)CC[C@@]2(O)CCOc3c(-c4ccn5nc(N)nc5c4)cc(F)cc32)cc1,-10.7,-0.3057,475.52,35,114.77,3.14,3.49,3,6,6,5,4,0.269,0.393,0,1,2,1,1,0,1,0.391,6
41_9GIO_II2609030927446755208013a,structures/41_9GIO_II2609030927446755208013a_complex.pdb,COc1cccc2c1CCC([NH2+]C[C@@]1(O)CCOc3c(-c4ccn5nc(N)nc5c4)cc(F)cc31)C2,-10.7,-0.2972,490.56,36,111.51,-0.12,2.22,3,6,5,6,4,0.333,0.396,1,1,2,1,1,0,1,0.971,3
41_9GIO_II2609030927446755222359a,structures/41_9GIO_II2609030927446755222359a_complex.pdb,CCCn1nc(C2CC2)nc1C(C)[C@@]1(O)CCOc2c(-c3ccn4nc(N)nc4c3)cc(F)cc21,-10.7,-0.3057,477.54,35,116.38,4.75,3.77,2,7,6,6,4,0.44,0.434,0,1,2,1,1,0,1,0.738,6
41_9GIO_II2609030927446755227346a,structures/41_9GIO_II2609030927446755227346a_complex.pdb,Nc1nc2cc(-c3cc(F)cc4c3OCC[C@]4(O)Cn3cc(F)c(-c4ccccc4)cc3=O)ccn2n1,-10.7,-0.2892,501.49,37,107.67,-3.96,3.76,2,6,4,6,5,0.148,0.388,0,2,2,1,1,0,1,0.971,3
41_9GIO_II2609030927446755229067a,structures/41_9GIO_II2609030927446755229067a_complex.pdb,Cc1cc(N2CCC(C[C@@]3(O)CCOc4c(-c5ccn6nc(N)nc6c5)cc(F)cc43)C2)ncn1,-10.7,-0.3057,475.53,35,114.69,3.06,3.1,2,8,4,6,4,0.36,0.463,0,1,2,1,1,0,1,0.951,5
41_9GIO_II260903094122044108816a,structures/41_9GIO_II260903094122044108816a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5Cc4noc(C5CC5)n4)C3)cc21,-10.7,-0.3242,440.51,33,94.79,-16.84,4.0,1,6,5,7,5,0.36,0.444,0,0,3,2,1,0,2,0.992,6
41_9GIO_II260903094122044122144a,structures/41_9GIO_II260903094122044122144a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5CC#CCn4cccn4)C3)cc21,-10.7,-0.3242,436.52,33,73.69,-37.94,3.59,1,4,4,6,5,0.269,0.437,0,0,2,2,1,0,2,0.999,6
41_9GIO_II260830105510330134852a,structures/41_9GIO_II260830105510330134852a_complex.pdb,C=CCc1ccc(Oc2cccc(N3CC(O)(c4ccc5cnn(C)c5c4)C3)n2)c([O-])c1,-10.6,-0.3312,427.48,32,86.47,-25.16,3.27,1,6,6,5,4,0.2,0.475,-1,0,3,2,1,0,2,0.994,6
41_9GIO_II2608301057166807171603a,structures/41_9GIO_II2608301057166807171603a_complex.pdb,CCC12CC3CC(c4ccc([O-])cc41)C(C2)[NH+]3CC[NH+]1CC(O)(c2ccc3cnn(C)c3c2)C1,-10.6,-0.3118,459.61,34,69.99,-41.64,-0.0,3,3,5,7,3,0.536,0.503,1,0,2,2,1,0,1,0.028,5
41_9GIO_II2608301057166807536677a,structures/41_9GIO_II2608301057166807536677a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4cccc(C[NH+](C)CCc5ccccc5)c4[O-])C3)cc21,-10.6,-0.3212,442.56,33,68.79,-42.84,1.61,2,4,7,5,4,0.296,0.456,0,0,1,0,0,0,2,0.906,8
41_9GIO_II2608301057166807554367b,structures/41_9GIO_II2608301057166807554367b_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4nc5ccc(Cl)cc5nc4OCc4ccccc4)C3)cc21,-10.6,-0.3118,471.95,34,76.3,-35.33,4.46,1,6,5,6,5,0.192,0.408,0,1,2,2,1,0,1,0.393,5
41_9GIO_II2608301057166807607086a,structures/41_9GIO_II2608301057166807607086a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4nc5[nH]cnc5c5nc(-c6ccc(Br)cc6)nn45)C3)cc21,-10.6,-0.3118,516.36,34,113.05,1.42,3.02,2,7,3,7,6,0.174,0.372,0,1,3,2,1,0,2,0.366,7
41_9GIO_II2608301057166807725815a,structures/41_9GIO_II2608301057166807725815a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4ccc(OC(F)(F)F)c(-c5ccccc5)c4)C3)cc21,-10.6,-0.3312,439.44,32,50.52,-61.11,4.85,1,4,4,5,4,0.208,0.494,0,3,2,2,1,0,2,0.989,7
41_9GIO_II2608301057166807754805b,structures/41_9GIO_II2608301057166807754805b_complex.pdb,Cn1ncc2ccc(C3(O)CN(C(=O)Nc4ccc(N5CCCCC5)cc4)C3)cc21,-10.6,-0.3533,405.5,30,73.63,-38.0,3.3,2,4,3,5,3,0.391,0.701,0,0,2,2,1,0,2,0.369,7
41_9GIO_II2609030927446755205237a,structures/41_9GIO_II2609030927446755205237a_complex.pdb,CCCNC(=O)C(Cc1ccccc1)[C@@]1(O)CCOc2c(-c3ccn4nc(N)nc4c3)cc(F)cc21,-10.6,-0.2944,489.55,36,114.77,3.14,3.47,3,6,7,5,4,0.296,0.366,0,1,2,1,1,0,3,0.999,6
41_9GIO_II2609030927446755205673a,structures/41_9GIO_II2609030927446755205673a_complex.pdb,CC1CCCC(NC(=O)CC[C@@]2(O)CCOc3c(-c4ccn5nc(N)nc5c4)cc(F)cc32)C1,-10.6,-0.3118,467.55,34,114.77,3.14,3.56,3,6,5,5,3,0.48,0.529,0,1,2,1,1,0,1,0.864,5
41_9GIO_II260903094043940615709a,structures/41_9GIO_II260903094043940615709a_complex.pdb,CCC1=CCC(c2cnc(NC[C@@H](O)c3c(F)cccc3F)c3cc[nH]c23)CC1,-10.6,-0.3655,397.47,29,60.94,-50.69,5.59,3,3,6,4,3,0.348,0.475,0,2,2,2,1,0,0,0,7
41_9GIO_II260903094122044102150a,structures/41_9GIO_II260903094122044102150a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5Cc4ccc(N)cc4[O-])C3)cc21,-10.6,-0.3212,438.51,33,104.95,-6.68,3.39,2,5,4,6,5,0.231,0.419,-1,0,2,1,1,0,2,1.0,5
41_9GIO_II260903094122044107090a,structures/41_9GIO_II260903094122044107090a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5-c4ccc(CO)cc4)C3)cc21,-10.6,-0.3312,424.5,32,76.1,-35.53,4.17,2,4,4,6,5,0.231,0.454,0,0,2,2,1,0,4,0.727,7
41_9GIO_II260903094122044111764a,structures/41_9GIO_II260903094122044111764a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5-c4ccc5[nH]ncc5c4)C3)cc21,-10.6,-0.3212,434.5,33,84.55,-27.08,4.55,2,4,3,7,6,0.192,0.428,0,0,2,2,1,0,4,0.741,6
41_9GIO_II260903094122044120590a,structures/41_9GIO_II260903094122044120590a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5C4CCn5nccc5C4)C3)cc21,-10.6,-0.3212,438.54,33,73.69,-37.94,4.07,1,4,3,7,5,0.346,0.461,0,0,2,2,1,0,2,0.86,7
41_9GIO_II2608301057166807279548a,structures/41_9GIO_II2608301057166807279548a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4cccc5c4ncn5-c4ccc(C(C)(C)C)cc4)C3)cc21,-10.5,-0.3088,451.57,34,59.11,-52.52,4.92,1,4,3,6,5,0.286,0.423,0,0,3,2,1,0,2,0.312,6
41_9GIO_II2608301057166807436862a,structures/41_9GIO_II2608301057166807436862a_complex.pdb,Cn1ncc2ccc(C3(O)CN(C(=O)CCN4CCC(=O)c5ccccc54)C3)cc21,-10.5,-0.35,404.47,30,78.67,-32.96,2.09,1,5,4,5,3,0.348,0.72,0,0,2,2,1,0,1,0.246,5
41_9GIO_II260830105716680763939a,structures/41_9GIO_II260830105716680763939a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4ccccc4N=Cc4ccc5ccccc5c4)C3)cc21,-10.5,-0.3182,432.53,33,53.65,-57.98,5.18,1,4,4,6,5,0.143,0.398,0,0,2,2,1,0,1,0.294,7
41_9GIO_II2608301057166807739876a,structures/41_9GIO_II2608301057166807739876a_complex.pdb,Cn1ncc2ccc(C3(O)CN(C(=O)CCCc4nnc(-c5ccccc5)o4)C3)cc21,-10.5,-0.3387,417.47,31,97.28,-14.35,2.68,1,6,6,5,4,0.304,0.518,0,0,2,2,1,0,1,0.468,5
41_9GIO_II2609030927446755179424a,structures/41_9GIO_II2609030927446755179424a_complex.pdb,CC(C[C@@]1(O)CCOc2c(-c3ccn4nc(N)nc4c3)cc(F)cc21)C(=O)N1CC[NH+](C)CC1,-10.5,-0.3088,469.54,34,110.42,-1.21,0.47,3,6,4,5,3,0.458,0.513,1,1,2,1,1,0,1,0.974,4
41_9GIO_II2609030927446755184314a,structures/41_9GIO_II2609030927446755184314a_complex.pdb,C[NH+]1CCc2ccccc2C1C(=O)[C@@]1(O)CCOc2c(-c3ccn4nc(N)nc4c3)cc(F)cc21,-10.5,-0.3,474.52,35,107.18,-4.45,1.47,3,6,3,6,4,0.269,0.415,1,1,2,1,1,0,1,0.826,6
41_9GIO_II2609030927446755193754a,structures/41_9GIO_II2609030927446755193754a_complex.pdb,CC12c3ccccc3CC1C2C(=O)[C@@]1(O)CCOc2c(-c3ccn4nc(N)nc4c3)cc(F)cc21,-10.5,-0.3,470.5,35,102.74,-8.89,3.42,2,6,3,7,4,0.296,0.476,0,1,3,1,1,0,1,0.987,4
41_9GIO_II2609030927446755205310b,structures/41_9GIO_II2609030927446755205310b_complex.pdb,Cc1cccc(N2CCCC([C@@]3(O)CCOc4c(-c5ccn6nc(N)nc6c5)cc(F)cc43)C2)n1,-10.5,-0.3,474.54,35,101.8,-9.83,3.71,2,7,3,6,4,0.346,0.467,0,1,2,1,1,0,1,0.874,7
41_9GIO_II2609030927446755223695a,structures/41_9GIO_II2609030927446755223695a_complex.pdb,Nc1nc2cc(-c3cc(F)cc4c3OCC[C@]4(O)C(=O)C[NH+]3CCC([NH+]4CCCC4)CC3)ccn2n1,-10.5,-0.2917,496.59,36,111.62,-0.01,-0.62,4,6,5,6,3,0.5,0.375,2,1,2,1,1,0,2,0.782,4
41_9GIO_II260903094043940602233a,structures/41_9GIO_II260903094043940602233a_complex.pdb,Cc1n[nH]cc1C(C)c1cnc(NC[C@@H](O)c2c(F)cccc2F)c2cc[nH]c12,-10.5,-0.3621,397.43,29,89.62,-22.01,4.17,4,4,6,4,4,0.238,0.393,0,2,2,2,1,0,1,0.56,7
41_9GIO_II260903094122044102547a,structures/41_9GIO_II260903094122044102547a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5CC4CC[NH+](C)CC4)C3)cc21,-10.5,-0.3281,430.58,32,60.31,-51.32,2.61,2,3,4,6,4,0.462,0.523,1,0,2,2,1,0,2,0.972,6
41_9GIO_II260903094122044105207a,structures/41_9GIO_II260903094122044105207a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5C4CC5(CC[NH2+]C5)C4)C3)cc21,-10.5,-0.3281,428.56,32,72.48,-39.15,2.98,2,3,3,7,4,0.462,0.527,1,0,2,2,1,0,2,0.999,7
41_9GIO_II260903094122044117136a,structures/41_9GIO_II260903094122044117136a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5CC(O)CC4CCC4)C3)cc21,-10.5,-0.3281,430.55,32,76.1,-35.53,4.24,2,4,6,6,4,0.462,0.48,0,0,2,2,1,0,1,0.75,7
41_9GIO_II260903094122044124087a,structures/41_9GIO_II260903094122044124087a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5C4CCC(CC(=O)[O-])C4)C3)cc21,-10.5,-0.3182,443.53,33,96.0,-15.63,3.17,1,5,5,6,4,0.423,0.511,-1,0,1,1,1,0,1,0.966,6
41_9GIO_II260903094122044124380a,structures/41_9GIO_II260903094122044124380a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5C4CC[NH+]5CCCC4C5)C3)cc21,-10.5,-0.3182,442.59,33,60.31,-51.32,2.93,2,3,3,7,4,0.481,0.513,1,0,2,2,1,0,2,0.752,8
41_9GIO_II260830105510330164068a,structures/41_9GIO_II260830105510330164068a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4cccc(-c5cc6cc(Br)ccc6n5C)n4)C3)cc21,-10.4,-0.325,488.39,32,59.11,-52.52,4.6,1,4,3,6,5,0.2,0.404,0,1,2,2,1,0,1,0.286,7
41_9GIO_II2608301057166807105901a,structures/41_9GIO_II2608301057166807105901a_complex.pdb,Cn1ncc2ccc(C3(O)C[NH+](C(Cc4cccc(-c5ccccc5)c4)C(=O)[O-])C3)cc21,-10.4,-0.325,427.5,32,82.62,-29.01,0.69,2,4,6,5,4,0.231,0.474,0,0,2,2,1,0,1,0.511,6
41_9GIO_II2608301057166807187872a,structures/41_9GIO_II2608301057166807187872a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4nc5ccc(Br)cc5c(-c5ccccc5)c4C[NH3+])C3)cc21,-10.4,-0.3059,515.44,34,81.82,-29.81,4.0,2,4,4,6,5,0.185,0.379,1,1,3,3,1,0,3,0.984,7
41_9GIO_II2608301057166807335621a,structures/41_9GIO_II2608301057166807335621a_complex.pdb,Cc1cc(N)nc2cc(-c3ccc(F)c(N4CC(O)(c5ccc6cnn(C)c6c5)C4)c3)ccc12,-10.4,-0.3059,453.52,34,80.2,-31.43,4.53,2,5,3,6,5,0.185,0.42,0,1,1,0,0,0,1,0.817,6
41_9GIO_II2608301057166807358781a,structures/41_9GIO_II2608301057166807358781a_complex.pdb,Cn1ncc2ccc(C3(O)C[NH+](CCC(O)c4cc5c([O-])cccc5c5ccccc45)C3)cc21,-10.4,-0.3059,453.54,34,85.78,-25.85,2.16,3,4,5,6,5,0.25,0.356,0,0,2,2,1,0,1,0.822,8
41_9GIO_II2608301057166807361727a,structures/41_9GIO_II2608301057166807361727a_complex.pdb,Cn1ncc2ccc(C3(O)C[NH+](OC(=O)CCn4nnc5ccccc54)C3)cc21,-10.4,-0.3586,393.43,29,99.5,-12.13,-0.05,2,6,5,5,4,0.3,0.493,1,0,2,2,1,0,3,0.972,6
41_9GIO_II2608301057166807571943a,structures/41_9GIO_II2608301057166807571943a_complex.pdb,Cn1ncc2ccc(C3(O)C[NH+](CCc4cccc(N5CCOC5=O)c4)C3)cc21,-10.4,-0.3586,393.47,29,72.03,-39.6,0.86,2,4,5,5,3,0.364,0.675,1,0,2,2,1,0,3,0.511,6
41_9GIO_II2608301057166807587824a,structures/41_9GIO_II2608301057166807587824a_complex.pdb,Cn1ncc2ccc(C3(O)C[NH+](C4CCN(C(=O)Cc5nc6ccccc6[nH]5)CC4)C3)cc21,-10.4,-0.3152,445.55,33,91.48,-20.15,0.77,3,4,4,6,4,0.4,0.433,1,0,2,2,1,0,1,0.996,5
41_9GIO_II2608301057166807616165a,structures/41_9GIO_II2608301057166807616165a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4nnc(-c5ccccc5)n4Cc4ccco4)C3)cc21,-10.4,-0.325,426.48,32,85.14,-26.49,3.18,1,6,5,6,5,0.208,0.465,0,0,2,2,1,0,3,0.997,5
41_9GIO_II2608301057166807624137a,structures/41_9GIO_II2608301057166807624137a_complex.pdb,Cc1nc(N2CC(O)(c3ccc4cnn(C)c4c3)C2)c2ncn(Cc3ccccc3F)c2n1,-10.4,-0.3152,443.49,33,84.89,-26.74,2.92,1,6,4,6,5,0.25,0.46,0,1,2,2,1,0,2,0.999,7
41_9GIO_II2608301057166807643940a,structures/41_9GIO_II2608301057166807643940a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4nc(-c5ccccc5)nc(-c5ccc(Br)cc5)n4)C3)cc21,-10.4,-0.3059,513.4,34,79.96,-31.67,4.56,1,6,4,6,5,0.154,0.38,0,1,2,2,1,0,1,0.394,6
41_9GIO_II2608301057166807675499a,structures/41_9GIO_II2608301057166807675499a_complex.pdb,Cn1ncc2ccc(C3(O)CN(C(=O)NCc4cncc(-c5ccco5)c4)C3)cc21,-10.4,-0.3467,403.44,30,96.42,-15.21,2.64,2,5,4,5,4,0.227,0.546,0,0,2,2,1,0,2,0.248,5
41_9GIO_II2608301057166807698633a,structures/41_9GIO_II2608301057166807698633a_complex.pdb,Cn1ncc2ccc(C3(O)C[NH+](C(c4ccc(N)cc4)c4c[nH]cc4-c4ccccc4)C3)cc21,-10.4,-0.3059,450.57,34,84.3,-27.33,3.03,4,3,5,6,5,0.179,0.311,1,0,2,2,1,0,3,0.57,7
41_9GIO_II2609030927446755175630b,structures/41_9GIO_II2609030927446755175630b_complex.pdb,Cn1cc(-c2ccc(N)cc2)cc1[C@@]1(O)CCOc2c(-c3ccn4nc(N)nc4c3)cc(F)cc21,-10.4,-0.2971,470.51,35,116.62,4.99,3.72,3,6,3,6,5,0.154,0.346,0,1,2,1,1,0,1,0.945,4
41_9GIO_II2609030927446755176228a,structures/41_9GIO_II2609030927446755176228a_complex.pdb,CCn1ncc2c(C(F)F)cc([C@@]3(O)CCOc4c(-c5ccn6nc(N)nc6c5)cc(F)cc43)nc21,-10.4,-0.2889,495.47,36,116.38,4.75,3.84,2,7,4,6,5,0.25,0.389,0,3,2,1,1,0,0,0,3
41_9GIO_II2609030927446755190603a,structures/41_9GIO_II2609030927446755190603a_complex.pdb,Cc1cc(N2CC(C3CC3)C([C@@]3(O)CCOc4c(-c5ccn6nc(N)nc6c5)cc(F)cc43)C2)ccn1,-10.4,-0.2811,500.58,37,101.8,-9.83,3.95,2,7,4,7,4,0.393,0.437,0,1,2,1,1,0,1,0.994,6
41_9GIO_II2609030927446755202387b,structures/41_9GIO_II2609030927446755202387b_complex.pdb,Nc1nc2cc(-c3cc(F)cc4c3OCC[C@]4(O)c3ccn(-c4ccc(C(F)(F)F)cn4)n3)ccn2n1,-10.4,-0.2811,511.44,37,116.38,4.75,3.74,2,7,3,6,5,0.167,0.355,0,4,2,1,1,0,2,0.966,4
41_9GIO_II2609030927446755205004a,structures/41_9GIO_II2609030927446755205004a_complex.pdb,Nc1nc2cc(-c3cc(F)cc4c3OCC[C@]4(O)Cc3ccc(-c4ccccc4)nn3)ccn2n1,-10.4,-0.2971,468.49,35,111.45,-0.18,3.79,2,7,4,6,5,0.154,0.413,0,1,2,1,1,0,1,0.951,3
41_9GIO_II2609030927446755210477a,structures/41_9GIO_II2609030927446755210477a_complex.pdb,Nc1nc2cc(-c3cc(F)cc4c3OCC[C@]4(O)C3CCN(C(=O)CCc4ccncc4)C3)ccn2n1,-10.4,-0.2811,502.55,37,118.87,7.24,2.96,2,7,5,6,4,0.333,0.431,0,1,2,1,1,0,1,0.663,2
41_9GIO_II2609030927446755213248a,structures/41_9GIO_II2609030927446755213248a_complex.pdb,CC(C[C@@]1(O)CCOc2c(-c3ccn4nc(N)nc4c3)cc(F)cc21)C(=O)NCCc1ccccc1,-10.4,-0.2889,489.55,36,114.77,3.14,3.47,3,6,7,5,4,0.296,0.366,0,1,2,1,1,0,1,0.959,4
41_9GIO_II2609030927446755221258a,structures/41_9GIO_II2609030927446755221258a_complex.pdb,CN(Cc1ccccc1)C(=O)NC[C@@]1(O)CCOc2c(-c3ccn4nc(N)nc4c3)cc(F)cc21,-10.4,-0.2971,476.51,35,118.01,6.38,2.93,3,6,5,5,4,0.24,0.408,0,1,2,1,1,0,1,0.471,5
41_9GIO_II2609030927446755227209a,structures/41_9GIO_II2609030927446755227209a_complex.pdb,CC(O)(C[C@@]1(O)CCOc2c(-c3ccn4nc(N)nc4c3)cc(F)cc21)c1c(F)cccc1F,-10.4,-0.3059,470.45,34,105.9,-5.73,3.66,3,6,4,5,4,0.25,0.42,0,3,2,1,1,0,1,0.838,5
41_9GIO_II2609030927446755229572a,structures/41_9GIO_II2609030927446755229572a_complex.pdb,Nc1nc2cc(-c3cc(F)cc4c3OCC[C@]4(O)C34C[NH2+]CC3C4COCC(F)(F)F)ccn2n1,-10.4,-0.2971,494.47,35,111.51,-0.12,1.48,3,6,5,6,3,0.478,0.464,1,4,2,1,1,0,2,0.922,3
41_9GIO_II260903094122044102798a,structures/41_9GIO_II260903094122044102798a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5CC4CCC5(CC4)CC5)C3)cc21,-10.4,-0.3152,440.59,33,55.87,-55.76,5.66,1,3,4,7,4,0.5,0.446,0,0,2,2,1,0,2,0.991,7
41_9GIO_II260903094122044108361a,structures/41_9GIO_II260903094122044108361a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5Cc4ccc(=O)oc4)C3)cc21,-10.4,-0.325,426.48,32,86.08,-25.55,3.69,1,5,4,6,5,0.24,0.474,0,0,2,2,1,0,3,0.915,5
41_9GIO_II260903094122044117279a,structures/41_9GIO_II260903094122044117279a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5C4CC5(CC(O)C5)C4)C3)cc21,-10.4,-0.325,428.54,32,76.1,-35.53,4.16,2,4,3,7,4,0.462,0.514,0,0,2,2,1,0,3,0.907,7
41_9GIO_II260903094122044122948a,structures/41_9GIO_II260903094122044122948a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5-c4ccc5c(n4)COC5)C3)cc21,-10.4,-0.3152,437.5,33,77.99,-33.64,4.1,1,5,3,7,5,0.269,0.46,0,0,2,2,1,0,2,0.975,7
41_9GIO_II260903094122044126298a,structures/41_9GIO_II260903094122044126298a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5Cc4ccc([O-])cc4F)C3)cc21,-10.4,-0.3152,441.49,33,78.93,-32.7,3.95,1,4,4,6,5,0.231,0.458,-1,1,2,2,1,0,2,1.0,6
41_9GIO_II260830105510330177379a,structures/41_9GIO_II260830105510330177379a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4cccc(-c5noc6ccc(F)cc56)n4)C3)cc21,-10.3,-0.3323,415.43,31,80.21,-31.42,3.62,1,6,3,6,5,0.174,0.485,0,1,2,2,1,0,3,0.999,6
41_9GIO_II260830105510330198708a,structures/41_9GIO_II260830105510330198708a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4cccc(-c5ncncc5-n5cncn5)n4)C3)cc21,-10.3,-0.3219,425.46,32,110.67,-0.96,1.71,1,8,4,6,5,0.182,0.463,0,0,2,2,1,0,2,0.968,4
41_9GIO_II2608301057166807207034a,structures/41_9GIO_II2608301057166807207034a_complex.pdb,Cn1ncc2ccc(C3(O)C[NH+](Cc4nnc(-c5ccnnc5)c(-c5ccccc5)n4)C3)cc21,-10.3,-0.3029,451.51,34,106.94,-4.69,1.17,2,7,5,6,5,0.2,0.413,1,0,2,2,1,0,1,0.308,4
41_9GIO_II2608301057166807250430a,structures/41_9GIO_II2608301057166807250430a_complex.pdb,Cn1ncc2ccc(C3(O)CN(C(=O)Cn4cc(-c5cccc6cnccc56)cn4)C3)cc21,-10.3,-0.3121,438.49,33,89.07,-22.56,2.72,1,5,4,6,5,0.2,0.466,0,0,1,1,1,0,4,0.697,7
41_9GIO_II2608301057166807279840a,structures/41_9GIO_II2608301057166807279840a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4cccc5cc(-c6ccccc6N)ccc45)C3)cc21,-10.3,-0.3219,420.52,32,67.31,-44.32,4.68,2,4,3,6,5,0.148,0.416,0,0,2,2,1,0,1,0.292,7
41_9GIO_II2608301057166807284048a,structures/41_9GIO_II2608301057166807284048a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4scnc4-c4nc5c(C(F)(F)F)cccc5[nH]4)C3)cc21,-10.3,-0.3121,470.48,33,82.86,-28.77,4.3,2,6,3,6,5,0.227,0.411,0,3,1,1,1,0,0,0,5
41_9GIO_II2608301057166807291677a,structures/41_9GIO_II2608301057166807291677a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4nc(CC(=O)NCc5cccc(Cl)c5)n[nH]4)C3)cc21,-10.3,-0.3219,451.92,32,111.96,0.33,1.91,3,6,6,5,4,0.273,0.413,0,1,2,2,1,0,2,0.998,7
41_9GIO_II2608301057166807385430a,structures/41_9GIO_II2608301057166807385430a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4cc(-c5cccnc5)cn(-c5ccccc5)c4=O)C3)cc21,-10.3,-0.3029,449.51,34,76.18,-35.45,3.49,1,5,4,6,5,0.148,0.455,0,0,2,2,1,0,4,0.992,7
41_9GIO_II260830105716680740611a,structures/41_9GIO_II260830105716680740611a_complex.pdb,Cc1ccc(-n2nc(N3CC(O)(c4ccc5cnn(C)c5c4)C3)cc2-c2cccnc2)cc1,-10.3,-0.3121,436.52,33,72.0,-39.63,3.84,1,5,4,6,5,0.192,0.464,0,0,3,2,1,0,3,0.62,7
41_9GIO_II2608301057166807449629a,structures/41_9GIO_II2608301057166807449629a_complex.pdb,Cn1ncc2ccc(C3(O)C[NH+](Cc4ccc(-c5ccccc5-c5ncc[nH]5)cc4)C3)cc21,-10.3,-0.3121,436.54,33,71.17,-40.46,2.92,3,3,5,6,5,0.185,0.397,1,0,2,2,1,0,0,0,7
41_9GIO_II2608301057166807609073a,structures/41_9GIO_II2608301057166807609073a_complex.pdb,COC(c1ccccc1)C1OC1c1ccc(N2CC(O)(c3ccc4cnn(C)c4c3)C2)cc1,-10.3,-0.3121,441.53,33,63.05,-48.58,4.11,1,5,6,6,4,0.296,0.456,0,0,2,2,1,0,2,0.998,7
41_9GIO_II2608301057166807758415a,structures/41_9GIO_II2608301057166807758415a_complex.pdb,Cc1ccc(C[NH+]2CCC([NH+]3CC(O)(c4ccc5cnn(C)c5c4)C3)C2Cc2ccccc2)o1,-10.3,-0.3029,458.61,34,60.07,-51.56,1.03,3,3,6,6,4,0.393,0.405,2,0,2,2,1,0,1,0.235,6
41_9GIO_II260830105716680787496a,structures/41_9GIO_II260830105716680787496a_complex.pdb,Cc1cccc(C(CC(=O)[O-])C(=O)N2CCC([NH+]3CC(O)(c4ccc5cnn(C)c5c4)C3)C2)c1,-10.3,-0.3029,462.55,34,102.93,-8.7,-0.51,2,5,6,5,3,0.423,0.514,0,0,2,2,1,0,1,0.928,5
41_9GIO_II2609030927446755173363b,structures/41_9GIO_II2609030927446755173363b_complex.pdb,Nc1nc2cc(-c3cc(F)cc4c3OCC[C@]4(O)CC3([NH2+]Cc4ccccc4)COC3)ccn2n1,-10.3,-0.2943,476.53,35,111.51,-0.12,2.01,3,6,6,6,4,0.308,0.393,1,1,1,1,1,0,1,0.997,6
41_9GIO_II2609030927446755183388b,structures/41_9GIO_II2609030927446755183388b_complex.pdb,Cc1cc(N2CCC([C@@]3(O)CCOc4c(-c5ccn6nc(N)nc6c5)cc(F)cc43)C2)nc(C)n1,-10.3,-0.2943,475.53,35,114.69,3.06,3.02,2,8,3,6,4,0.36,0.465,0,1,2,1,1,0,1,0.894,4
41_9GIO_II2609030927446755184439a,structures/41_9GIO_II2609030927446755184439a_complex.pdb,Nc1nc2cc(-c3cc(F)cc4c3OCC[C@]4(O)Cc3ccc(F)c(N4CCCC4=O)c3)ccn2n1,-10.3,-0.2861,491.5,36,105.98,-5.65,3.6,2,6,4,6,4,0.269,0.452,0,2,2,1,1,0,0,0,4
41_9GIO_II2609030927446755207995a,structures/41_9GIO_II2609030927446755207995a_complex.pdb,Nc1nc2cc(-c3cc(F)cc4c3OCC[C@]4(O)c3cccc(C#CC[NH+]4CCCCC4)c3)ccn2n1,-10.3,-0.2784,498.58,37,90.11,-21.52,2.56,3,5,3,6,4,0.31,0.378,1,1,2,1,1,0,1,0.826,2
41_9GIO_II2609030927446755225671a,structures/41_9GIO_II2609030927446755225671a_complex.pdb,CC(C)[NH+]1CCCC(CNC(=O)C[C@@]2(O)CCOc3c(-c4ccn5nc(N)nc5c4)cc(F)cc32)C1,-10.3,-0.2861,497.6,36,119.21,7.58,1.3,4,6,6,5,3,0.5,0.408,1,1,2,1,1,0,1,0.863,5
41_9GIO_II260903094122044100209a,structures/41_9GIO_II260903094122044100209a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5-c4cn(C5CCC5)nn4)C3)cc21,-10.3,-0.3121,439.52,33,86.58,-25.05,3.99,1,5,4,7,5,0.36,0.458,0,0,2,2,1,0,3,0.65,7
41_9GIO_II260903094122044100858b,structures/41_9GIO_II260903094122044100858b_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5CC4CC45CCCCC5)C3)cc21,-10.3,-0.3121,440.59,33,55.87,-55.76,5.66,1,3,4,7,4,0.5,0.446,0,0,2,2,1,0,3,0.48,7
41_9GIO_II260903094122044101408a,structures/41_9GIO_II260903094122044101408a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5-c4ccc(CO)cc4N)C3)cc21,-10.3,-0.3121,439.52,33,102.12,-9.51,3.75,3,5,4,6,5,0.231,0.37,0,0,2,2,1,0,2,0.588,8
41_9GIO_II260903094122044101554a,structures/41_9GIO_II260903094122044101554a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5-c4cnnc5ccnn45)C3)cc21,-10.3,-0.3121,436.48,33,98.95,-12.68,3.12,1,6,3,7,6,0.208,0.458,0,0,2,2,1,0,4,0.963,5
41_9GIO_II260903094122044112614a,structures/41_9GIO_II260903094122044112614a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5-c4nocc4C(C)(C)C)C3)cc21,-10.3,-0.3121,441.54,33,81.9,-29.73,4.96,1,5,3,6,5,0.346,0.428,0,0,2,2,1,0,2,0.908,5
41_9GIO_II260903094122044114470a,structures/41_9GIO_II260903094122044114470a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5CC4C5C[NH+](C)CC45)C3)cc21,-10.3,-0.3219,428.56,32,60.31,-51.32,2.08,2,3,4,7,4,0.462,0.523,1,0,2,1,1,0,2,0.981,6
41_9GIO_II260903094122044120361a,structures/41_9GIO_II260903094122044120361a_complex.pdb,CC(N)=[NH+]C1CCC(n2ccc3c2nccc3[C@H]2C[C@@](O)(c3ccc4cnn(C)c4c3)C2)C1,-10.3,-0.3121,443.58,33,95.86,-15.77,2.24,3,3,4,6,4,0.423,0.333,1,0,2,2,1,0,2,0.538,7
41_9GIO_II260903094122044122534a,structures/41_9GIO_II260903094122044122534a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5CC45CC(C(=O)[O-])(C4)C5)C3)cc21,-10.3,-0.3121,441.51,33,96.0,-15.63,2.61,1,5,5,8,4,0.423,0.514,-1,0,2,2,1,0,2,1.0,7
41_9GIO_II260903094122044125052a,structures/41_9GIO_II260903094122044125052a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5CCn4c([O-])ccc4[O-])C3)cc21,-10.3,-0.3121,441.49,33,106.92,-4.71,2.34,1,5,5,6,5,0.28,0.451,-2,0,2,2,1,0,2,0.995,6
41_9GIO_II2608301057166807231708a,structures/41_9GIO_II2608301057166807231708a_complex.pdb,COc1cccc(-c2[nH]ncc2-c2nc(C[NH+]3CC(O)(c4ccc5cnn(C)c5c4)C3)no2)c1,-10.2,-0.3,458.5,34,119.32,7.69,1.31,3,7,6,6,5,0.25,0.351,1,0,2,2,1,0,1,0.323,7
41_9GIO_II2608301057166807265276a,structures/41_9GIO_II2608301057166807265276a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4ccnc(-c5cccc6[nH]ccc56)c4)C3)cc21,-10.2,-0.34,395.47,30,69.97,-41.66,3.82,2,4,3,6,5,0.167,0.487,0,0,2,2,1,0,3,0.871,8
41_9GIO_II2608301057166807298254a,structures/41_9GIO_II2608301057166807298254a_complex.pdb,Cn1ncc2ccc(C3(O)CN(C(=O)C[NH+]4CCN(C(=O)c5ccc(Br)cc5)CC4)C3)cc21,-10.2,-0.3091,513.42,33,83.11,-28.52,0.41,2,4,4,5,3,0.375,0.53,1,1,2,2,1,0,1,0.32,5
41_9GIO_II2608301057166807351269a,structures/41_9GIO_II2608301057166807351269a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4cccc(Cn5cc(CC[NH3+])c6ccccc65)c4)C3)cc21,-10.2,-0.3,452.58,34,73.86,-37.77,3.07,2,3,6,6,5,0.25,0.416,1,0,1,1,1,0,0,0,7
41_9GIO_II2608301057166807360846a,structures/41_9GIO_II2608301057166807360846a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4ncnc5cc(-c6ccccc6)nn45)C3)cc21,-10.2,-0.34,397.44,30,84.37,-27.26,2.39,1,6,3,6,5,0.182,0.503,0,0,2,2,1,0,2,0.418,7
41_9GIO_II2608301057166807471656a,structures/41_9GIO_II2608301057166807471656a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4cc(-c5ccccc5Oc5ccccc5)on4)C3)cc21,-10.2,-0.3091,438.49,33,76.55,-35.08,4.73,1,6,5,6,5,0.154,0.428,0,0,2,2,1,0,2,0.819,8
41_9GIO_II260830105716680756384a,structures/41_9GIO_II260830105716680756384a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4ccn(Cc5cccc(Oc6ccccc6)c5)n4)C3)cc21,-10.2,-0.3,451.53,34,68.34,-43.29,4.32,1,5,6,6,5,0.185,0.417,0,0,2,2,1,0,2,0.984,6
41_9GIO_II2608301057166807672456a,structures/41_9GIO_II2608301057166807672456a_complex.pdb,Cn1ncc2ccc(C3(O)C[NH+](Cc4cc5cc(Oc6ccccc6)ccc5o4)C3)cc21,-10.2,-0.3187,426.5,32,64.86,-46.77,3.4,2,4,5,6,5,0.192,0.452,1,0,2,2,1,0,2,0.238,7
41_9GIO_II2609030927446755175189a,structures/41_9GIO_II2609030927446755175189a_complex.pdb,COC1CCN(c2ccc(C[C@@]3(O)CCOc4c(-c5ccn6nc(N)nc6c5)cc(F)cc43)cc2)C1,-10.2,-0.2833,489.55,36,98.14,-13.49,3.56,2,7,5,6,4,0.333,0.442,0,1,2,1,1,0,1,0.954,4
41_9GIO_II2609030927446755196427a,structures/41_9GIO_II2609030927446755196427a_complex.pdb,CCn1c(C[C@@]2(O)CCOc3c(-c4ccn5nc(N)nc5c4)cc(F)cc32)nc2cc(F)ccc21,-10.2,-0.2914,476.49,35,103.49,-8.14,3.84,2,6,4,6,5,0.24,0.409,0,2,2,1,1,0,1,0.92,4
41_9GIO_II2609030927446755201847a,structures/41_9GIO_II2609030927446755201847a_complex.pdb,Cc1cccc(Cn2ncnc2CC[C@@]2(O)CCOc3c(-c4ccn5nc(N)nc5c4)cc(F)cc32)c1,-10.2,-0.2757,499.55,37,116.38,4.75,3.67,2,7,6,6,5,0.259,0.366,0,1,2,1,1,0,1,0.938,4
41_9GIO_II2609030927446755204504a,structures/41_9GIO_II2609030927446755204504a_complex.pdb,CCC(C)[NH+](Cc1cc(C)[nH]n1)C[C@@]1(O)CCOc2c(-c3ccn4nc(N)nc4c3)cc(F)cc21,-10.2,-0.2914,480.57,35,118.79,7.16,2.0,4,6,7,5,4,0.4,0.321,1,1,2,1,1,0,2,0.404,4
41_9GIO_II2609030927446755224713a,structures/41_9GIO_II2609030927446755224713a_complex.pdb,Cc1ccn(-c2ccc(C[C@@]3(O)CCOc4c(-c5ccn6nc(N)nc6c5)cc(F)cc43)cc2)n1,-10.2,-0.2914,470.51,35,103.49,-8.14,3.82,2,6,4,6,5,0.192,0.414,0,1,2,1,1,0,1,0.965,4
41_9GIO_II2609030927446755227423a,structures/41_9GIO_II2609030927446755227423a_complex.pdb,CCC1CCCC[NH+]1CC(=O)N(C)C[C@@]1(O)CCOc2c(-c3ccn4nc(N)nc4c3)cc(F)cc21,-10.2,-0.2833,497.6,36,110.42,-1.21,1.39,3,6,6,5,3,0.5,0.475,1,1,1,1,1,0,0,0,5
41_9GIO_II2609030927446755229572b,structures/41_9GIO_II2609030927446755229572b_complex.pdb,Nc1nc2cc(-c3cc(F)cc4c3OCC[C@]4(O)C34C[NH2+]CC3C4COCC(F)(F)F)ccn2n1,-10.2,-0.2914,494.47,35,111.51,-0.12,1.48,3,6,5,6,3,0.478,0.464,1,4,2,1,1,0,1,0.367,3
41_9GIO_II2609030927446755232010a,structures/41_9GIO_II2609030927446755232010a_complex.pdb,Cc1c([C@@]2(O)CCOc3c(-c4ccn5nc(N)nc5c4)cc(F)cc32)c(=O)n(-c2ccccc2Cl)n1C,-10.2,-0.2757,520.95,37,112.6,0.97,3.59,2,6,3,6,5,0.192,0.376,0,2,2,1,1,0,2,0.995,4
41_9GIO_II2609030927446755239790a,structures/41_9GIO_II2609030927446755239790a_complex.pdb,Nc1nc2cc(-c3cc(F)cc4c3OCC[C@]4(O)Cc3cc4cc(Br)ccc4[nH]c3=O)ccn2n1,-10.2,-0.2914,536.36,35,118.53,6.9,3.93,3,6,3,6,5,0.16,0.322,0,2,2,1,1,0,1,0.79,4
41_9GIO_II2609030927446755243291a,structures/41_9GIO_II2609030927446755243291a_complex.pdb,Cc1cccc(Cl)c1C(=O)NC[C@@]1(O)CCOc2c(-c3ccn4nc(N)nc4c3)cc(F)cc21,-10.2,-0.3,481.92,34,114.77,3.14,3.48,3,6,4,5,4,0.208,0.411,0,2,2,1,1,0,1,0.305,4
41_9GIO_II260903093942179609358b,structures/41_9GIO_II260903093942179609358b_complex.pdb,Cn1ncc2ccc(C3(O)CN(C(=O)c4cc(-c5cccc(F)c5Cl)nc(N)n4)C3)cc21,-10.2,-0.3187,452.88,32,110.16,-1.47,2.75,2,6,3,5,4,0.182,0.494,0,2,4,2,1,1,1,0.981,6
41_9GIO_II260903094122044102676a,structures/41_9GIO_II260903094122044102676a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5-c4cncc5nncn45)C3)cc21,-10.2,-0.3091,436.48,33,98.95,-12.68,3.12,1,6,3,7,6,0.208,0.458,0,0,2,2,1,0,3,0.731,5
41_9GIO_II260903094122044103685a,structures/41_9GIO_II260903094122044103685a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5-c4ccc([O-])c(N)c4)C3)cc21,-10.2,-0.3187,424.48,32,104.95,-6.68,3.33,2,5,3,6,5,0.2,0.432,-1,0,2,2,1,0,4,0.99,7
41_9GIO_II260903094122044106172a,structures/41_9GIO_II260903094122044106172a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5-c4ccn(S(C)(=O)=O)c4)C3)cc21,-10.2,-0.3091,461.55,33,94.94,-16.69,3.29,1,5,4,6,5,0.25,0.443,0,0,2,2,1,0,2,0.893,7
41_9GIO_II260903094122044109234a,structures/41_9GIO_II260903094122044109234a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5C4CC[NH+](C5CCC5)C4)C3)cc21,-10.2,-0.3091,442.59,33,60.31,-51.32,3.07,2,3,4,7,4,0.481,0.511,1,0,2,2,1,0,2,0.986,5
41_9GIO_II260903094122044113930a,structures/41_9GIO_II260903094122044113930a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5C(CC4CCC4)C(N)=O)C3)cc21,-10.2,-0.3091,443.55,33,98.96,-12.67,3.9,2,4,6,6,4,0.423,0.472,0,0,2,2,1,0,2,0.845,8
41_9GIO_II260903094122044117828a,structures/41_9GIO_II260903094122044117828a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5C4C(O)CCC(O)C4O)C3)cc21,-10.2,-0.3091,448.52,33,116.56,4.93,2.11,4,6,3,6,4,0.44,0.381,0,0,2,2,1,0,3,0.73,6
41_9GIO_II260903094122044117877a,structures/41_9GIO_II260903094122044117877a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5-c4ccnc(C5CC5)c4)C3)cc21,-10.2,-0.3091,435.53,33,68.76,-42.87,4.95,1,4,4,7,5,0.296,0.434,0,0,2,2,1,0,4,0.964,6
41_9GIO_II260903094122044122128a,structures/41_9GIO_II260903094122044122128a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5-c4ccc(CO)cc4F)C3)cc21,-10.2,-0.3091,442.49,33,76.1,-35.53,4.31,2,4,4,6,5,0.231,0.435,0,1,2,2,1,0,2,0.999,6
41_9GIO_II260903094122044122291a,structures/41_9GIO_II260903094122044122291a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5-c4ccn(CCCO)n4)C3)cc21,-10.2,-0.3091,442.52,33,93.92,-17.71,3.26,2,5,6,6,5,0.32,0.421,0,0,2,2,1,0,3,0.57,7
41_9GIO_II260830105510330184691a,structures/41_9GIO_II260830105510330184691a_complex.pdb,CCC(CC1CCCCC1)[NH2+]c1cccc(N2CC(O)(c3ccc4cnn(C)c4c3)C2)n1,-10.1,-0.3156,434.61,32,70.79,-40.84,3.62,2,4,7,5,3,0.538,0.596,1,0,1,0,0,0,1,0.532,5
41_9GIO_II2608301057166807107561a,structures/41_9GIO_II2608301057166807107561a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4cccc(-c5nc6cc7ccccc7cc6[nH]5)c4)C3)cc21,-10.1,-0.2971,445.53,34,69.97,-41.66,4.98,2,4,3,7,6,0.143,0.403,0,0,2,2,1,0,2,0.269,6
41_9GIO_II2608301057166807158335a,structures/41_9GIO_II2608301057166807158335a_complex.pdb,Cn1ncc2ccc(C3(O)CN(NC(=O)c4c5ccccc5nc5ccccc45)C3)cc21,-10.1,-0.3156,423.48,32,83.28,-28.35,3.12,2,5,3,6,5,0.16,0.436,0,0,2,2,1,0,2,0.833,7
41_9GIO_II2608301057166807225755a,structures/41_9GIO_II2608301057166807225755a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4ccccc4Cn4c(=O)sc5ccccc54)C3)cc21,-10.1,-0.3156,442.54,32,63.29,-48.34,3.71,1,5,4,6,5,0.2,0.461,0,0,2,2,1,0,1,0.311,6
41_9GIO_II2608301057166807250961a,structures/41_9GIO_II2608301057166807250961a_complex.pdb,Cc1ccccc1C(CC(=O)N1CC(O)(c2ccc3cnn(C)c3c2)C1)c1ccccc1,-10.1,-0.3156,425.53,32,58.36,-53.27,4.13,1,3,5,5,4,0.259,0.523,0,0,2,2,1,0,1,0.839,5
41_9GIO_II2608301057166807299356a,structures/41_9GIO_II2608301057166807299356a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4ccccc4Oc4ccnc5cc(Cl)ccc45)C3)cc21,-10.1,-0.3061,456.93,33,63.41,-48.22,5.28,1,5,4,6,5,0.154,0.399,0,1,2,2,1,0,2,0.441,5
41_9GIO_II2608301057166807341021a,structures/41_9GIO_II2608301057166807341021a_complex.pdb,Cn1ncc2ccc(C3(O)CN(C(=O)OCC(=O)N(CCc4ccccc4)C(C)(C)C)C3)cc21,-10.1,-0.2971,464.57,34,87.9,-23.73,3.08,1,5,6,4,3,0.423,0.606,0,0,2,2,1,0,3,0.875,7
41_9GIO_II2608301057166807342734a,structures/41_9GIO_II2608301057166807342734a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4c(N5CCC(c6ccccc6)CC5)c(=O)c4=O)C3)cc21,-10.1,-0.3061,442.52,33,78.67,-32.96,2.26,1,6,4,6,4,0.346,0.489,0,0,2,2,1,0,1,0.993,6
41_9GIO_II2608301057166807383046a,structures/41_9GIO_II2608301057166807383046a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4nc5ccc(N)cc5n4Cc4ccccc4)C3)cc21,-10.1,-0.3156,424.51,32,85.13,-26.5,3.26,2,5,4,6,5,0.2,0.433,0,0,2,2,1,0,1,0.909,7
41_9GIO_II2608301057166807403794a,structures/41_9GIO_II2608301057166807403794a_complex.pdb,Cc1[nH]c2c(N3CC(O)(c4ccc5cnn(C)c5c4)C3)nc(-c3cccc(=O)[nH]3)cc2c1C,-10.1,-0.3061,440.51,33,102.83,-8.8,3.13,3,5,3,6,5,0.24,0.4,0,0,2,2,1,0,2,0.251,8
41_9GIO_II2608301057166807410921a,structures/41_9GIO_II2608301057166807410921a_complex.pdb,Cn1nc2c(c1-c1nc(C[NH+]3CC(O)(c4ccc5cnn(C)c5c4)C3)nn1CCO)CCCC2,-10.1,-0.2971,463.57,34,111.25,-0.38,-0.28,3,6,6,6,4,0.5,0.363,1,0,1,1,1,0,0,0,7
41_9GIO_II2608301057166807415546a,structures/41_9GIO_II2608301057166807415546a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4cncc(NC(=O)Cc5c[nH]c6ccccc56)c4)C3)cc21,-10.1,-0.2971,452.52,34,99.07,-12.56,3.34,3,5,5,6,5,0.192,0.38,0,0,2,2,1,0,1,0.356,5
41_9GIO_II2608301057166807441114a,structures/41_9GIO_II2608301057166807441114a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4nnc(-c5ccccc5)cc4-c4ccccc4)C3)cc21,-10.1,-0.3061,433.52,33,67.07,-44.56,4.41,1,5,4,6,5,0.148,0.455,0,0,2,2,1,0,1,0.421,7
41_9GIO_II2608301057166807470443a,structures/41_9GIO_II2608301057166807470443a_complex.pdb,Cn1c(C[NH+]2CC(O)(c3ccc4cnn(C)c4c3)C2)nc(-c2ccccc2)c1-c1ccccc1,-10.1,-0.2971,450.57,34,60.31,-51.32,2.93,2,3,5,6,5,0.214,0.433,1,0,2,2,1,0,2,0.991,7
41_9GIO_II2608301057166807576488a,structures/41_9GIO_II2608301057166807576488a_complex.pdb,Cc1ccc(C)c(C2CCN(C(=O)C(C)[NH+]3CC(O)(c4ccc5cnn(C)c5c4)C3)CC2)c1,-10.1,-0.3061,447.6,33,62.8,-48.83,2.07,2,3,4,5,3,0.481,0.644,1,0,1,0,0,0,1,0.331,7
41_9GIO_II2608301057166807617105a,structures/41_9GIO_II2608301057166807617105a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4cc5occc5n4CC(=O)c4cccc(Cl)c4)C3)cc21,-10.1,-0.3061,460.92,33,76.43,-35.2,4.37,1,5,5,6,5,0.2,0.394,0,1,2,2,1,0,3,0.525,8
41_9GIO_II2608301057166807623579a,structures/41_9GIO_II2608301057166807623579a_complex.pdb,Cn1ncc2ccc(C3(O)C[NH+](Cc4cccc(-c5cccc(C[NH2+]C6CC6)c5)c4)C3)cc21,-10.1,-0.3061,440.59,33,59.1,-52.53,1.75,3,2,7,6,4,0.321,0.41,2,0,2,2,1,0,3,0.953,5
41_9GIO_II2608301057166807655750a,structures/41_9GIO_II2608301057166807655750a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4cc(-c5cccnc5)nn4CCc4ccccc4)C3)cc21,-10.1,-0.2971,450.55,34,72.0,-39.63,3.78,1,5,6,6,5,0.222,0.426,0,0,3,2,1,0,1,0.953,7
41_9GIO_II2608301057166807725040a,structures/41_9GIO_II2608301057166807725040a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4nccn5c(-c6ccc([O-])c([O-])c6)cnc45)C3)cc21,-10.1,-0.3156,426.44,32,117.6,5.97,1.14,1,7,3,6,5,0.174,0.46,-2,0,2,1,1,0,3,0.889,5
41_9GIO_II2608301057166807754350a,structures/41_9GIO_II2608301057166807754350a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4nccn5c(-c6cccc7ccccc67)cnc45)C3)cc21,-10.1,-0.2971,446.51,34,71.48,-40.15,4.14,1,5,3,7,6,0.148,0.442,0,0,1,1,1,0,2,0.989,6
41_9GIO_II2609030927446755174430a,structures/41_9GIO_II2609030927446755174430a_complex.pdb,CCn1ncc2cc(CCC[C@@]3(O)CCOc4c(-c5ccn6nc(N)nc6c5)cc(F)cc43)cnc21,-10.1,-0.2806,487.54,36,116.38,4.75,3.88,2,7,6,6,5,0.308,0.373,0,1,2,1,1,0,1,0.913,3
41_9GIO_II2609030927446755188463b,structures/41_9GIO_II2609030927446755188463b_complex.pdb,Cc1cnc(N2CCCC([C@@]3(O)CCOc4c(-c5ccn6nc(N)nc6c5)cc(F)cc43)C2)nc1C,-10.1,-0.2806,489.56,36,114.69,3.06,3.41,2,8,3,6,4,0.385,0.45,0,1,2,1,1,0,1,0.942,3
41_9GIO_II2609030927446755195964b,structures/41_9GIO_II2609030927446755195964b_complex.pdb,Cc1ccc(C2(O)CCC([C@@]3(O)CCOc4c(-c5ccn6nc(N)nc6c5)cc(F)cc43)CC2)nc1,-10.1,-0.2806,489.55,36,118.79,7.16,3.87,3,7,3,6,4,0.37,0.4,0,1,2,1,1,0,1,0.765,3
41_9GIO_II2609030927446755216954a,structures/41_9GIO_II2609030927446755216954a_complex.pdb,C#Cc1ccc(N2CC[NH+](C[C@@]3(O)CCOc4c(-c5ccn6nc(N)nc6c5)cc(F)cc43)CC2)cc1,-10.1,-0.273,499.57,37,93.35,-18.28,1.47,3,6,4,6,4,0.286,0.369,1,1,2,1,1,0,1,0.954,4
41_9GIO_II2609030927446755218897a,structures/41_9GIO_II2609030927446755218897a_complex.pdb,CC(C)CC([NH2+]C[C@@]1(O)CCOc2c(-c3ccn4nc(N)nc4c3)cc(F)cc21)c1ccccn1,-10.1,-0.2886,477.56,35,115.17,3.54,2.83,3,6,7,5,4,0.346,0.377,1,1,2,2,1,0,1,0.896,4
41_9GIO_II2609030927446755229067c,structures/41_9GIO_II2609030927446755229067c_complex.pdb,Cc1cc(N2CCC(C[C@@]3(O)CCOc4c(-c5ccn6nc(N)nc6c5)cc(F)cc43)C2)ncn1,-10.1,-0.2886,475.53,35,114.69,3.06,3.1,2,8,4,6,4,0.36,0.463,0,1,2,1,1,0,1,0.745,4
41_9GIO_II2609030927446755229435a,structures/41_9GIO_II2609030927446755229435a_complex.pdb,CCC1CN(c2ccccc2)C(=O)C1[C@@]1(O)CCOc2c(-c3ccn4nc(N)nc4c3)cc(F)cc21,-10.1,-0.2806,487.54,36,105.98,-5.65,3.78,2,6,4,6,4,0.296,0.454,0,1,2,1,1,0,1,0.947,4
41_9GIO_II260903094122044101406a,structures/41_9GIO_II260903094122044101406a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5-c4ncccc4Br)C3)cc21,-10.1,-0.3258,474.36,31,68.76,-42.87,4.83,1,4,3,6,5,0.208,0.407,0,1,2,2,1,0,3,0.785,7
41_9GIO_II260903094122044102021a,structures/41_9GIO_II260903094122044102021a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5-c4ncnc5[nH]ccc45)C3)cc21,-10.1,-0.3061,435.49,33,97.44,-14.19,3.95,2,5,3,7,6,0.2,0.439,0,0,2,2,1,0,4,0.637,5
41_9GIO_II260903094122044104011a,structures/41_9GIO_II260903094122044104011a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5-c4ccc([O-])c(I)c4)C3)cc21,-10.1,-0.3156,535.37,32,78.93,-32.7,4.36,1,4,3,6,5,0.2,0.349,-1,1,2,2,1,0,2,0.665,7
41_9GIO_II260903094122044104305a,structures/41_9GIO_II260903094122044104305a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5CC4(O)CCC[NH2+]C4)C3)cc21,-10.1,-0.3156,432.55,32,92.71,-18.92,1.78,3,4,4,6,4,0.44,0.458,1,0,2,2,1,0,2,0.991,5
41_9GIO_II260903094122044104927a,structures/41_9GIO_II260903094122044104927a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5C4CC4CCF)C3)cc21,-10.1,-0.3367,404.49,30,55.87,-55.76,4.61,1,3,5,6,4,0.417,0.529,0,1,2,2,1,0,2,1.0,8
41_9GIO_II260903094122044105555a,structures/41_9GIO_II260903094122044105555a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5C4C(CO)C4C(=O)[O-])C3)cc21,-10.1,-0.3156,431.47,32,116.23,4.6,1.22,2,6,5,6,4,0.375,0.491,-1,0,2,2,1,0,2,0.56,6
41_9GIO_II260903094122044106268a,structures/41_9GIO_II260903094122044106268a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5-c4cc(F)c(F)cc4Cl)C3)cc21,-10.1,-0.3061,464.9,33,55.87,-55.76,5.61,1,3,3,6,5,0.2,0.353,0,3,2,2,1,0,3,0.657,6
41_9GIO_II260903094122044108021a,structures/41_9GIO_II260903094122044108021a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5-c4cc(N)c(F)cc4Cl)C3)cc21,-10.1,-0.3061,461.93,33,81.89,-29.74,5.05,2,4,3,6,5,0.2,0.368,0,2,2,2,1,0,3,0.667,6
41_9GIO_II260903094122044110986a,structures/41_9GIO_II260903094122044110986a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5C4CC(OC(C)(C)C)C4)C3)cc21,-10.1,-0.3061,444.58,33,65.1,-46.53,5.21,1,4,4,6,4,0.481,0.469,0,0,2,2,1,0,3,0.777,6
41_9GIO_II260903094122044113218a,structures/41_9GIO_II260903094122044113218a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5C(=O)CCC4CCC4)C3)cc21,-10.1,-0.3156,428.54,32,72.94,-38.69,4.91,1,4,5,6,4,0.423,0.49,0,0,2,2,1,0,2,0.97,6
41_9GIO_II260903094122044113550a,structures/41_9GIO_II260903094122044113550a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5C4CC=CCC4CO)C3)cc21,-10.1,-0.3156,428.54,32,76.1,-35.53,4.19,2,4,4,6,4,0.385,0.478,0,0,1,1,1,0,2,0.981,7
41_9GIO_II260903094122044121997a,structures/41_9GIO_II260903094122044121997a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5C4CC45CCCCC5)C3)cc21,-10.1,-0.3156,426.56,32,55.87,-55.76,5.58,1,3,3,7,4,0.481,0.465,0,0,2,2,1,0,3,0.647,7
41_9GIO_II260903094122044124681a,structures/41_9GIO_II260903094122044124681a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5CC[NH+]4CCSC4)C3)cc21,-10.1,-0.3258,434.59,31,60.31,-51.32,2.28,2,4,5,6,4,0.417,0.506,1,0,2,2,1,0,3,0.557,5
41_9GIO_II260903094122044126197a,structures/41_9GIO_II260903094122044126197a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5-c4ccc([O-])c(Cl)c4)C3)cc21,-10.1,-0.3156,443.91,32,78.93,-32.7,4.4,1,4,3,6,5,0.2,0.448,-1,1,2,2,1,0,4,0.786,7
41_9GIO_II2608301043099935124159a,structures/41_9GIO_II2608301043099935124159a_complex.pdb,CC1(C)C(CC2(O)CN(C(=O)c3ccnc(N)n3)C2)=Nc2ccc(Br)cc21,-10.0,-0.3704,430.31,27,104.7,-6.93,2.46,2,6,3,4,2,0.368,0.779,0,1,3,2,1,1,1,0.693,5
41_9GIO_II260830105510330113460a,structures/41_9GIO_II260830105510330113460a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4cccc(Oc5ccc6sccc6c5)n4)C3)cc21,-10.0,-0.3226,428.52,31,63.41,-48.22,4.68,1,6,4,6,5,0.167,0.45,0,0,4,2,1,0,3,0.713,7
41_9GIO_II260830105510330169074a,structures/41_9GIO_II260830105510330169074a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4cccc(-n5cnc(-c6ccoc6)c5)n4)C3)cc21,-10.0,-0.3226,412.45,31,85.14,-26.49,3.12,1,6,4,6,5,0.174,0.488,0,0,2,2,1,0,4,0.921,5
41_9GIO_II260830105510330187333a,structures/41_9GIO_II260830105510330187333a_complex.pdb,CCC1Cc2cc(-c3cccc(N4CC(O)(c5ccc6cnn(C)c6c5)C4)n3)ccc2O1,-10.0,-0.3125,426.52,32,63.41,-48.22,4.06,1,5,4,6,4,0.308,0.533,0,0,1,0,0,0,1,0.999,6
41_9GIO_II260830105716680709564a,structures/41_9GIO_II260830105716680709564a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4cc(C(C)(C)C)nc5c4cc(Cl)c4ccccc45)C3)cc21,-10.0,-0.2941,471.0,34,54.18,-57.45,5.93,1,4,2,6,5,0.286,0.325,0,1,2,2,1,0,2,0.986,7
41_9GIO_II260830105716680711966a,structures/41_9GIO_II260830105716680711966a_complex.pdb,Cc1nc(N2CC(O)(c3ccc4cnn(C)c4c3)C2)nc2c1C(=O)CC(c1ccccc1)C2,-10.0,-0.303,439.52,33,84.14,-27.49,3.29,1,6,3,6,4,0.308,0.527,0,0,1,0,0,0,0,0,5
41_9GIO_II2608301057166807138895a,structures/41_9GIO_II2608301057166807138895a_complex.pdb,Cn1ncc2ccc(C3(O)C[NH+](C(C[NH+]4CCCC4)c4ccc(-c5ccccc5)cc4)C3)cc21,-10.0,-0.2941,454.62,34,46.93,-64.7,1.75,3,2,6,6,4,0.345,0.416,2,0,2,2,1,0,1,0.994,6
41_9GIO_II2608301057166807155205a,structures/41_9GIO_II2608301057166807155205a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4nc(Cc5c[nH]c6ccccc56)n(C(C)(C)C)n4)C3)cc21,-10.0,-0.2941,455.57,34,87.79,-23.84,3.7,2,5,4,6,5,0.346,0.431,0,0,1,1,1,0,3,1.0,8
41_9GIO_II2608301057166807212643a,structures/41_9GIO_II2608301057166807212643a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4cc(C(C)(C)C)nc5c4cc(Cl)c4ccccc45)C3)cc21,-10.0,-0.2941,471.0,34,54.18,-57.45,5.93,1,4,2,6,5,0.286,0.325,0,1,2,2,1,0,2,0.982,7
41_9GIO_II2608301057166807216774a,structures/41_9GIO_II2608301057166807216774a_complex.pdb,Cn1ncc2ccc(C3(O)CN(C(=O)CC(c4ccccc4)[NH+](C)Cc4ccccc4)C3)cc21,-10.0,-0.2941,455.58,34,62.8,-48.83,2.45,2,3,7,5,4,0.286,0.45,1,0,2,2,1,0,1,0.346,6
41_9GIO_II2608301057166807231771a,structures/41_9GIO_II2608301057166807231771a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4cc(C(=O)[O-])nn4Cc4ccc(C(F)(F)F)cc4)C3)cc21,-10.0,-0.2941,470.43,34,99.24,-12.39,1.91,1,6,5,5,4,0.261,0.479,-1,3,3,2,1,0,1,0.783,5
41_9GIO_II2608301057166807256597a,structures/41_9GIO_II2608301057166807256597a_complex.pdb,Cn1ncc2ccc(C3(O)CN(C(=O)Nc4cccc(C(=O)[NH+]=C5NCCS5)c4)C3)cc21,-10.0,-0.3125,451.53,32,113.46,1.83,0.22,4,5,3,5,3,0.273,0.453,1,0,2,2,1,0,2,0.759,7
41_9GIO_II2608301057166807287555a,structures/41_9GIO_II2608301057166807287555a_complex.pdb,Cn1ncc2ccc(C3(O)C[NH+](Cc4ccc(-c5cc6ccccc6oc5=O)cc4)C3)cc21,-10.0,-0.303,438.51,33,72.7,-38.93,2.63,2,4,4,6,5,0.185,0.423,1,0,2,2,1,0,0,0,6
41_9GIO_II2608301057166807301380a,structures/41_9GIO_II2608301057166807301380a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4cc(-n5cc(-c6ccc(F)cc6)nn5)ccc4[O-])C3)cc21,-10.0,-0.2941,455.47,34,95.06,-16.57,2.74,1,6,4,6,5,0.16,0.448,-1,1,2,2,1,0,1,0.298,7
41_9GIO_II2608301057166807306487a,structures/41_9GIO_II2608301057166807306487a_complex.pdb,Cn1ncc2ccc(C3(O)CN(C(=O)NN=Cc4cccc5cnccc45)C3)cc21,-10.0,-0.3333,400.44,30,95.64,-15.99,2.37,2,5,3,5,4,0.182,0.408,0,0,3,2,1,0,2,0.854,8
41_9GIO_II2608301057166807307224a,structures/41_9GIO_II2608301057166807307224a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4cc([O-])cc(-c5ccc6c(=O)[nH]ccc6c5)c4)C3)cc21,-10.0,-0.303,437.48,33,97.21,-14.42,2.86,2,5,3,6,5,0.154,0.452,-1,0,1,0,0,0,1,0.998,6
41_9GIO_II2608301057166807338348a,structures/41_9GIO_II2608301057166807338348a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4[nH]nc5cc(-c6ccc(C(C)(C)C)cc6)ccc45)C3)cc21,-10.0,-0.2941,451.57,34,69.97,-41.66,5.12,2,4,3,6,5,0.286,0.399,0,0,3,2,1,0,2,0.91,5
41_9GIO_II2608301057166807346427a,structures/41_9GIO_II2608301057166807346427a_complex.pdb,CC(=NNC(=O)N1CC(O)(c2ccc3cnn(C)c3c2)C1)c1cc2cc(F)c(F)cc2[nH]1,-10.0,-0.3125,438.44,32,98.54,-13.09,2.97,3,4,3,5,4,0.227,0.339,0,2,2,2,1,0,1,0.997,5
41_9GIO_II2608301057166807399997a,structures/41_9GIO_II2608301057166807399997a_complex.pdb,Cn1ncc2ccc(C3(O)C[NH+](C(CNC(=O)c4nc5cccnc5s4)C(C)(C)CO)C3)cc21,-10.0,-0.2941,481.6,34,117.6,5.97,0.48,4,7,7,5,4,0.417,0.305,1,0,2,2,1,0,2,0.343,6
41_9GIO_II2608301057166807406261a,structures/41_9GIO_II2608301057166807406261a_complex.pdb,COc1cc(OC)nc([NH+]2CCCC2C[NH+]2CC(O)(c3ccc4cnn(C)c4c3)C2)n1,-10.0,-0.3226,426.52,31,91.17,-20.46,-1.15,3,6,6,5,3,0.5,0.461,2,0,3,2,1,0,1,0.628,5
41_9GIO_II2608301057166807409112a,structures/41_9GIO_II2608301057166807409112a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4cn(S(=O)(=O)c5ccccc5)c5cc(Cl)ccc45)C3)cc21,-10.0,-0.2941,492.99,34,80.36,-31.27,4.13,1,5,4,6,5,0.16,0.408,0,1,2,2,1,0,3,0.845,6
41_9GIO_II2608301057166807411316a,structures/41_9GIO_II2608301057166807411316a_complex.pdb,CCc1cccc(-c2cc(N3CC(O)(c4ccc5cnn(C)c5c4)C3)nn2-c2ccccc2)c1,-10.0,-0.2941,449.56,34,59.11,-52.52,4.7,1,4,5,6,5,0.214,0.423,0,0,2,2,1,0,2,0.979,6
41_9GIO_II2608301057166807439099a,structures/41_9GIO_II2608301057166807439099a_complex.pdb,Cn1ncc2ccc(C3(O)C[NH+](C(Cc4ccccc4)C(O)C4CCC[NH2+]4)C3)cc21,-10.0,-0.3333,408.55,30,79.33,-32.3,-0.64,4,3,6,5,3,0.458,0.438,2,0,1,1,1,0,1,0.262,6
41_9GIO_II2608301057166807466192a,structures/41_9GIO_II2608301057166807466192a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4ccc(-c5ccc6c(c5)C(C)(C)OC(=O)N6)[nH]4)C3)cc21,-10.0,-0.303,443.51,33,95.41,-16.22,4.07,3,5,3,6,4,0.28,0.444,0,0,2,2,1,0,1,0.321,7
41_9GIO_II2608301057166807479740a,structures/41_9GIO_II2608301057166807479740a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4cc(NCc5ccc(Cl)cc5)c5c[nH]nc5c4)C3)cc21,-10.0,-0.303,458.95,33,82.0,-29.63,4.42,3,5,5,6,5,0.2,0.363,0,1,2,2,1,0,2,0.962,7
41_9GIO_II2608301057166807510999a,structures/41_9GIO_II2608301057166807510999a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4ncnc5c4ncn5C4CCCCC4O)C3)cc21,-10.0,-0.3226,419.49,31,105.12,-6.51,1.9,2,7,3,6,4,0.455,0.522,0,0,3,2,1,0,2,0.243,6
41_9GIO_II2608301057166807545439a,structures/41_9GIO_II2608301057166807545439a_complex.pdb,CC(C)[NH2+]C1CCC=C(c2ccc(F)cc2)C1[NH+]1CC(O)(c2ccc3cnn(C)c3c2)C1,-10.0,-0.3125,436.58,32,59.1,-52.53,1.38,3,2,5,5,3,0.423,0.566,2,1,2,2,1,0,1,0.292,7
41_9GIO_II2608301057166807545600a,structures/41_9GIO_II2608301057166807545600a_complex.pdb,Cn1ncc2ccc(C3(O)CN(c4n[nH]c(-c5ccnc(-c6ccccc6)c5)n4)C3)cc21,-10.0,-0.3125,423.48,32,95.75,-15.88,3.13,2,6,4,6,5,0.167,0.461,0,0,2,2,1,0,2,0.782,5
41_9GIO_II2608301057166807622558a,structures/41_9GIO_II2608301057166807622558a_complex.pdb,Cc1nc(N2CC(O)(c3ccc4cnn(C)c4c3)C2)nc(-c2ccccc2CO)c1C,-10.0,-0.3226,415.5,31,87.3,-24.33,2.85,2,6,4,5,4,0.292,0.533,0,0,3,2,1,0,3,0.996,6
41_9GIO_II260830105716680769718a,structures/41_9GIO_II260830105716680769718a_complex.pdb,Cn1ncc2ccc(C3(O)CN(C(=O)c4cc(F)cc(-c5ccncc5)c4)C3)cc21,-10.0,-0.3333,402.43,30,71.25,-40.38,3.12,1,4,3,5,4,0.174,0.572,0,1,1,1,1,0,3,0.894,6
41_9GIO_II2608301057166807761210a,structures/41_9GIO_II2608301057166807761210a_complex.pdb,CCc1cc([O-])ccc1-c1ccc2c(N3CC(O)(c4ccc5cnn(C)c5c4)C3)[nH]nc2c1,-10.0,-0.303,438.51,33,93.03,-18.6,3.46,2,5,4,6,5,0.231,0.448,-1,0,1,0,0,0,2,0.914,5
41_9GIO_II260830105716680792629a,structures/41_9GIO_II260830105716680792629a_complex.pdb,Cn1ncc2ccc(C3(O)C[NH+](CC(O)c4cc5ncccc5c5ccccc45)C3)cc21,-10.0,-0.3125,425.51,32,75.61,-36.02,2.09,3,4,4,6,5,0.231,0.386,1,0,1,1,1,0,1,0.753,6
41_9GIO_II2609030927446755175579a,structures/41_9GIO_II2609030927446755175579a_complex.pdb,CC(C)[NH+]1CCC2OCC([C@@]3(O)CCOc4c(-c5ccn6nc(N)nc6c5)cc(F)cc43)CC2C1,-10.0,-0.2857,482.58,35,99.34,-12.29,1.81,3,6,3,6,3,0.538,0.527,1,1,2,1,1,0,1,0.93,4
41_9GIO_II2609030927446755176610a,structures/41_9GIO_II2609030927446755176610a_complex.pdb,CC([NH2+]CC1([C@@]2(O)CCOc3c(-c4ccn5nc(N)nc5c4)cc(F)cc32)CC1)c1cncc(F)c1,-10.0,-0.2778,493.54,36,115.17,3.54,2.73,3,6,6,6,4,0.346,0.381,1,2,1,1,1,0,1,0.985,3
41_9GIO_II2609030927446755181121a,structures/41_9GIO_II2609030927446755181121a_complex.pdb,Cc1cc(CCNC(=O)[C@@]2(O)CCOc3c(-c4ccn5nc(N)nc5c4)cc(F)cc32)ccc1Cl,-10.0,-0.2857,495.94,35,114.77,3.14,3.41,3,6,5,5,4,0.24,0.391,0,2,3,1,1,0,2,0.692,5
41_9GIO_II2609030927446755188979b,structures/41_9GIO_II2609030927446755188979b_complex.pdb,C#CC[NH+](C)CC(O)c1cccc([C@@]2(O)CCOc3c(-c4ccn5nc(N)nc5c4)cc(F)cc32)c1,-10.0,-0.2778,488.54,36,110.34,-1.29,1.32,4,6,6,5,4,0.259,0.305,1,1,2,1,1,0,1,0.84,3
41_9GIO_II2609030927446755197652a,structures/41_9GIO_II2609030927446755197652a_complex.pdb,COc1ccc2sc(C[C@@]3(O)CCOc4c(-c5ccn6nc(N)nc6c5)cc(F)cc43)nc2c1,-10.0,-0.2941,477.52,34,107.79,-3.84,3.95,2,8,4,6,5,0.208,0.404,0,1,2,1,1,0,1,0.861,3
41_9GIO_II2609030927446755198082a,structures/41_9GIO_II2609030927446755198082a_complex.pdb,CC(C)(C)n1nc([C@@]2(O)CCOc3c(-c4ccn5nc(N)nc5c4)cc(F)cc32)c2c1C1CC1C2,-10.0,-0.2857,474.54,35,103.49,-8.14,3.75,2,6,2,7,4,0.423,0.459,0,1,2,1,1,0,2,0.964,3
41_9GIO_II2609030927446755198672a,structures/41_9GIO_II2609030927446755198672a_complex.pdb,CC1C([NH+]2CCOCC2)CC[NH+]1C[C@@]1(O)CCOc2c(-c3ccn4nc(N)nc4c3)cc(F)cc21,-10.0,-0.2857,484.58,35,103.78,-7.85,-0.95,4,6,4,6,3,0.52,0.381,2,1,2,1,1,0,1,0.985,4
41_9GIO_II2609030927446755205814a,structures/41_9GIO_II2609030927446755205814a_complex.pdb,CN(C)c1nc(-c2cccc([C@@]3(O)CCOc4c(-c5ccn6nc(N)nc6c5)cc(F)cc43)c2)nn1C,-10.0,-0.2703,500.54,37,119.62,7.99,3.0,2,8,4,6,5,0.231,0.387,0,1,2,1,1,0,2,0.913,2
41_9GIO_II2609030927446755214166a,structures/41_9GIO_II2609030927446755214166a_complex.pdb,Nc1nc2cc(-c3cc(F)cc4c3OCC[C@]4(O)Cc3ccc(C[NH+]4CCOCC4)nc3)ccn2n1,-10.0,-0.2778,491.55,36,112.23,0.6,1.14,3,7,5,6,4,0.346,0.384,1,1,2,1,1,0,1,0.943,4
41_9GIO_II2609030927446755220301a,structures/41_9GIO_II2609030927446755220301a_complex.pdb,CC([NH2+]C[C@@]1(O)CCOc2c(-c3ccn4nc(N)nc4c3)cc(F)cc21)c1ccc(F)cc1N(C)C,-10.0,-0.2778,495.55,36,105.52,-6.11,2.62,3,6,6,5,4,0.308,0.38,1,2,2,1,1,0,1,0.992,4
41_9GIO_II2609030927446755221113a,structures/41_9GIO_II2609030927446755221113a_complex.pdb,CCC(c1ccc(C[NH+](C)C)o1)[C@@]1(O)CCOc2c(-c3ccn4nc(N)nc4c3)cc(F)cc21,-10.0,-0.2941,466.54,34,103.25,-8.38,2.52,3,6,6,5,4,0.36,0.404,1,1,2,1,1,0,1,0.88,4
41_9GIO_II2609030927446755223528a,structures/41_9GIO_II2609030927446755223528a_complex.pdb,C[NH+](C)CCn1c(C[C@@]2(O)CCOc3c(-c4ccn5nc(N)nc5c4)cc(F)cc32)nc2ccccc21,-10.0,-0.2703,502.57,37,107.93,-3.7,1.82,3,6,6,6,5,0.296,0.327,1,1,2,1,1,0,2,0.455,3
41_9GIO_II2609030927446755238765a,structures/41_9GIO_II2609030927446755238765a_complex.pdb,CC(CNC(=O)CCC(F)(F)F)C[C@@]1(O)CCOc2c(-c3ccn4nc(N)nc4c3)cc(F)cc21,-10.0,-0.2857,495.48,35,114.77,3.14,3.57,3,6,7,4,3,0.435,0.432,0,4,2,1,1,0,1,0.938,3
41_9GIO_II2609030927446755238852a,structures/41_9GIO_II2609030927446755238852a_complex.pdb,CN1C(=O)C([C@@]2(O)CCOc3c(-c4ccn5nc(N)nc5c4)cc(F)cc32)CC1c1ccccc1Cl,-10.0,-0.2778,507.95,36,105.98,-5.65,3.96,2,6,3,6,4,0.269,0.435,0,2,3,2,1,0,1,0.949,4
41_9GIO_II2609030927446755240768a,structures/41_9GIO_II2609030927446755240768a_complex.pdb,C#CCOC1CC[NH+](CC[C@@]2(O)CCOc3c(-c4ccn5nc(N)nc5c4)cc(F)cc32)CC1,-10.0,-0.2941,466.54,34,99.34,-12.29,1.17,3,6,6,5,3,0.44,0.472,1,1,2,1,1,0,1,0.996,6
41_9GIO_II260903094043940635509a,structures/41_9GIO_II260903094043940635509a_complex.pdb,CCC1C(=O)N(C)CC1c1cnc(NC[C@@H](O)c2c(F)cccc2F)c2cc[nH]c12,-10.0,-0.3333,414.46,30,81.25,-30.38,3.57,3,4,6,4,3,0.364,0.576,0,2,3,3,1,0,1,0.962,7
41_9GIO_II260903094122044104018a,structures/41_9GIO_II260903094122044104018a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5C4CC[NH+]5CCSC4C5)C3)cc21,-10.0,-0.303,460.63,33,60.31,-51.32,2.63,2,4,3,7,4,0.462,0.494,1,0,2,2,1,0,3,0.643,7
41_9GIO_II260903094122044104422a,structures/41_9GIO_II260903094122044104422a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5-c4nonc4C(F)(F)F)C3)cc21,-10.0,-0.303,454.41,33,94.79,-16.84,4.08,1,6,3,6,5,0.273,0.442,0,3,2,2,1,0,4,0.991,6
41_9GIO_II260903094122044105767a,structures/41_9GIO_II260903094122044105767a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5Cc4ccc(Cl)[nH]c4=O)C3)cc21,-10.0,-0.303,459.94,33,88.73,-22.9,4.08,2,4,4,6,5,0.24,0.396,0,1,2,2,1,0,3,0.477,6
41_9GIO_II260903094122044112548a,structures/41_9GIO_II260903094122044112548a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5C4C=CC(CO)C(O)C4)C3)cc21,-10.0,-0.303,444.54,33,96.33,-15.3,3.16,3,5,4,6,4,0.385,0.42,0,0,2,2,1,0,2,0.969,6
41_9GIO_II260903094122044113021a,structures/41_9GIO_II260903094122044113021a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5-c4[nH]c(C[NH3+])c(Cl)c4Cl)C3)cc21,-10.0,-0.303,482.4,33,99.3,-12.33,4.05,3,3,4,6,5,0.25,0.36,1,2,2,2,1,0,2,0.964,8
41_9GIO_II260903094122044114054a,structures/41_9GIO_II260903094122044114054a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5Cc4cncc([O-])c4)C3)cc21,-10.0,-0.3125,424.48,32,91.82,-19.81,3.21,1,5,4,6,5,0.24,0.478,-1,0,2,2,1,0,2,1.0,6
41_9GIO_II260903094122044114687a,structures/41_9GIO_II260903094122044114687a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5Cc4ccc(N)cn4)C3)cc21,-10.0,-0.3125,424.51,32,94.78,-16.85,3.71,2,5,4,6,5,0.24,0.459,0,0,2,2,1,0,2,1.0,6
41_9GIO_II260903094122044114728a,structures/41_9GIO_II260903094122044114728a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5C4C5CC4C5C(F)(F)F)C3)cc21,-10.0,-0.303,452.48,33,55.87,-55.76,5.06,1,3,3,8,4,0.44,0.473,0,3,2,2,1,0,2,0.979,7
41_9GIO_II260903094122044119892a,structures/41_9GIO_II260903094122044119892a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5-c4ccc(C[NH+](C)C)[nH]4)C3)cc21,-10.0,-0.303,441.56,33,76.1,-35.53,2.65,3,3,5,6,5,0.308,0.393,1,0,2,2,1,0,3,0.82,7
41_9GIO_II260903094122044120292a,structures/41_9GIO_II260903094122044120292a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5CC4=CC=CCC4)C3)cc21,-10.0,-0.3226,410.52,31,55.87,-55.76,4.96,1,3,4,6,4,0.308,0.517,0,0,1,1,1,0,2,0.995,7
41_9GIO_II260903094122044122428a,structures/41_9GIO_II260903094122044122428a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5-c4cccc(CO)c4Cl)C3)cc21,-10.0,-0.303,458.95,33,76.1,-35.53,4.82,2,4,4,6,5,0.231,0.404,0,1,2,2,1,0,3,0.87,8
41_9GIO_II260903094122044123462a,structures/41_9GIO_II260903094122044123462a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5-c4cn[nH]c4C[NH3+])C3)cc21,-10.0,-0.3226,414.49,31,112.19,0.56,2.14,3,4,4,6,5,0.261,0.418,1,0,2,2,1,0,2,0.989,5
41_9GIO_II260903094122044124353a,structures/41_9GIO_II260903094122044124353a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5Cc4cccnc4N)C3)cc21,-10.0,-0.3125,424.51,32,94.78,-16.85,3.71,2,5,4,6,5,0.24,0.459,0,0,2,2,1,0,3,0.998,6
41_9GIO_II260903094122044125726a,structures/41_9GIO_II260903094122044125726a_complex.pdb,Cn1ncc2ccc([C@]3(O)C[C@H](c4ccnc5c4ccn5C(=O)NCC(F)F)C3)cc21,-10.0,-0.3226,425.44,31,84.97,-26.66,3.51,2,4,4,5,4,0.318,0.524,0,2,2,2,1,0,3,0.504,5