Name-pose,AQFEP-Vinardo-10poses,AQFEP-Vinardo-10poses-error,units,name,Pose,exp dG kcal/mol
CHEMBL3402741_400_pose0,-26.527529191256,0.570843606216836,kilocalorie/mole,CHEMBL3402741_400,0,-8.73
CHEMBL3402741_400_pose1,-25.6173886799312,0.416860700752709,kilocalorie/mole,CHEMBL3402741_400,1,-8.73
CHEMBL3402741_400_pose2,-27.5635289847658,0.331899602675336,kilocalorie/mole,CHEMBL3402741_400,2,-8.73
CHEMBL3402741_400_pose3,-15.5727532083844,0.522365365909819,kilocalorie/mole,CHEMBL3402741_400,3,-8.73
CHEMBL3402741_400_pose4,-12.1710641306165,0.404099463232263,kilocalorie/mole,CHEMBL3402741_400,4,-8.73
CHEMBL3402741_400_pose5,-14.2475040337595,0.345821140989564,kilocalorie/mole,CHEMBL3402741_400,5,-8.73
CHEMBL3402741_400_pose6,-12.8792490439008,0.607979184815223,kilocalorie/mole,CHEMBL3402741_400,6,-8.73
CHEMBL3402741_400_pose7,-19.5991501553979,17.9172869977516,kilocalorie/mole,CHEMBL3402741_400,7,-8.73
CHEMBL3402741_400_pose8,-10.5780302701204,0.367057684762645,kilocalorie/mole,CHEMBL3402741_400,8,-8.73
CHEMBL3402741_400_pose9,-14.0064603128984,0.330393450414396,kilocalorie/mole,CHEMBL3402741_400,9,-8.73
CHEMBL3402742_23_pose0,-23.621682294619,0.423454229915559,kilocalorie/mole,CHEMBL3402742_23,0,-10.42
CHEMBL3402742_23_pose1,-23.1522584584931,0.351993066169174,kilocalorie/mole,CHEMBL3402742_23,1,-10.42
CHEMBL3402742_23_pose2,-14.5730694501415,0.453539014497134,kilocalorie/mole,CHEMBL3402742_23,2,-10.42
CHEMBL3402742_23_pose3,-12.837578004162,0.667750592494086,kilocalorie/mole,CHEMBL3402742_23,3,-10.42
CHEMBL3402742_23_pose4,-12.9528981663309,0.404648690132553,kilocalorie/mole,CHEMBL3402742_23,4,-10.42
CHEMBL3402742_23_pose5,-13.3419187517405,0.228172157617712,kilocalorie/mole,CHEMBL3402742_23,5,-10.42
CHEMBL3402742_23_pose6,-14.7926636683613,0.450441930373793,kilocalorie/mole,CHEMBL3402742_23,6,-10.42
CHEMBL3402742_23_pose7,-13.9296315807103,0.542025492418192,kilocalorie/mole,CHEMBL3402742_23,7,-10.42
CHEMBL3402742_23_pose8,-14.4310113920795,0.544966679472517,kilocalorie/mole,CHEMBL3402742_23,8,-10.42
CHEMBL3402742_23_pose9,-12.0973874595061,0.40485810241277,kilocalorie/mole,CHEMBL3402742_23,9,-10.42
CHEMBL3402743_42_pose0,-23.2836000726676,0.29755625238707,kilocalorie/mole,CHEMBL3402743_42,0,-10.06
CHEMBL3402743_42_pose1,-24.62488449468,0.270439005704998,kilocalorie/mole,CHEMBL3402743_42,1,-10.06
CHEMBL3402743_42_pose2,-12.724390200555,0.582671940500502,kilocalorie/mole,CHEMBL3402743_42,2,-10.06
CHEMBL3402743_42_pose3,-18.9434670036508,0.328517847380982,kilocalorie/mole,CHEMBL3402743_42,3,-10.06
CHEMBL3402743_42_pose4,-20.6135218323377,0.394743514810327,kilocalorie/mole,CHEMBL3402743_42,4,-10.06
CHEMBL3402743_42_pose5,-16.7339468893547,0.445178645058839,kilocalorie/mole,CHEMBL3402743_42,5,-10.06
CHEMBL3402743_42_pose6,-14.3118835898729,0.258887667174313,kilocalorie/mole,CHEMBL3402743_42,6,-10.06
CHEMBL3402743_42_pose7,-19.1982333053815,0.444053852444099,kilocalorie/mole,CHEMBL3402743_42,7,-10.06
CHEMBL3402743_42_pose8,-11.450111754167,0.453506860766291,kilocalorie/mole,CHEMBL3402743_42,8,-10.06
CHEMBL3402743_42_pose9,-14.7601295180047,0.459135441833462,kilocalorie/mole,CHEMBL3402743_42,9,-10.06
CHEMBL3402744_300_pose0,-18.5159874809132,0.429049494119976,kilocalorie/mole,CHEMBL3402744_300,0,-8.9
CHEMBL3402744_300_pose1,-19.0834139145626,0.334942803942456,kilocalorie/mole,CHEMBL3402744_300,1,-8.9
CHEMBL3402744_300_pose2,-14.0846741212873,0.33331262657202,kilocalorie/mole,CHEMBL3402744_300,2,-8.9
CHEMBL3402744_300_pose3,-12.5337944269696,0.583697423467779,kilocalorie/mole,CHEMBL3402744_300,3,-8.9
CHEMBL3402744_300_pose4,-13.5477534135454,0.269387899238068,kilocalorie/mole,CHEMBL3402744_300,4,-8.9
CHEMBL3402744_300_pose5,-18.2493157562449,0.294700524217793,kilocalorie/mole,CHEMBL3402744_300,5,-8.9
CHEMBL3402744_300_pose6,-12.65268986734,0.36897369907629,kilocalorie/mole,CHEMBL3402744_300,6,-8.9
CHEMBL3402744_300_pose7,-18.2957437686385,0.280200239328582,kilocalorie/mole,CHEMBL3402744_300,7,-8.9
CHEMBL3402744_300_pose8,-12.6508634723655,0.607459059492057,kilocalorie/mole,CHEMBL3402744_300,8,-8.9
CHEMBL3402744_300_pose9,-15.8466001481668,0.489610402125323,kilocalorie/mole,CHEMBL3402744_300,9,-8.9
CHEMBL3402745_200_pose0,-20.2142621462592,0.349947711709339,kilocalorie/mole,CHEMBL3402745_200,0,-9.14
CHEMBL3402745_200_pose1,-18.3019720474446,0.410367441882493,kilocalorie/mole,CHEMBL3402745_200,1,-9.14
CHEMBL3402745_200_pose2,-12.3647596680839,0.485931281200926,kilocalorie/mole,CHEMBL3402745_200,2,-9.14
CHEMBL3402745_200_pose3,-14.5809001626719,0.355671611256849,kilocalorie/mole,CHEMBL3402745_200,3,-9.14
CHEMBL3402745_200_pose4,-12.0058617613528,0.397126592082149,kilocalorie/mole,CHEMBL3402745_200,4,-9.14
CHEMBL3402745_200_pose5,-13.0761132002423,0.455689786286982,kilocalorie/mole,CHEMBL3402745_200,5,-9.14
CHEMBL3402745_200_pose6,-10.4985845051379,0.586108435643847,kilocalorie/mole,CHEMBL3402745_200,6,-9.14
CHEMBL3402745_200_pose7,-15.9769783239034,0.366274048291017,kilocalorie/mole,CHEMBL3402745_200,7,-9.14
CHEMBL3402745_200_pose8,-11.580011007023,0.370361265570318,kilocalorie/mole,CHEMBL3402745_200,8,-9.14
CHEMBL3402745_200_pose9,-20.2438634038029,0.681482884460134,kilocalorie/mole,CHEMBL3402745_200,9,-9.14
CHEMBL3402747_3400_pose0,-17.9591950248859,0.464016653455972,kilocalorie/mole,CHEMBL3402747_3400,0,-7.46
CHEMBL3402747_3400_pose1,-19.258799802191,0.314807426768931,kilocalorie/mole,CHEMBL3402747_3400,1,-7.46
CHEMBL3402747_3400_pose2,-21.0944111036899,0.256450029669116,kilocalorie/mole,CHEMBL3402747_3400,2,-7.46
CHEMBL3402747_3400_pose3,-15.1391375834266,0.374838610781419,kilocalorie/mole,CHEMBL3402747_3400,3,-7.46
CHEMBL3402747_3400_pose4,-12.4572029284182,0.279479396362286,kilocalorie/mole,CHEMBL3402747_3400,4,-7.46
CHEMBL3402747_3400_pose5,-13.9838414257737,0.392337479097714,kilocalorie/mole,CHEMBL3402747_3400,5,-7.46
CHEMBL3402747_3400_pose6,-13.68251953457,0.311682828271286,kilocalorie/mole,CHEMBL3402747_3400,6,-7.46
CHEMBL3402747_3400_pose7,-14.2988929217863,0.327984930288241,kilocalorie/mole,CHEMBL3402747_3400,7,-7.46
CHEMBL3402747_3400_pose8,-13.1890832410164,0.388980637756063,kilocalorie/mole,CHEMBL3402747_3400,8,-7.46
CHEMBL3402747_3400_pose9,-13.5267519136748,0.292564421881542,kilocalorie/mole,CHEMBL3402747_3400,9,-7.46
CHEMBL3402748_5300_pose0,-22.4767140261065,0.297662657290478,kilocalorie/mole,CHEMBL3402748_5300,0,-7.2
CHEMBL3402748_5300_pose1,-16.0246775532646,0.384167097583475,kilocalorie/mole,CHEMBL3402748_5300,1,-7.2
CHEMBL3402748_5300_pose2,-14.7727606760086,0.304821866993378,kilocalorie/mole,CHEMBL3402748_5300,2,-7.2
CHEMBL3402748_5300_pose3,-10.6147280521653,0.384691374773627,kilocalorie/mole,CHEMBL3402748_5300,3,-7.2
CHEMBL3402748_5300_pose4,-10.2032267247623,0.331832777371803,kilocalorie/mole,CHEMBL3402748_5300,4,-7.2
CHEMBL3402748_5300_pose5,-13.468597649838,0.38124280685958,kilocalorie/mole,CHEMBL3402748_5300,5,-7.2
CHEMBL3402748_5300_pose6,-12.9061678100421,0.39849287986798,kilocalorie/mole,CHEMBL3402748_5300,6,-7.2
CHEMBL3402748_5300_pose7,-16.4341461127147,0.308771635055758,kilocalorie/mole,CHEMBL3402748_5300,7,-7.2
CHEMBL3402748_5300_pose8,-11.1855524957088,0.361915958410704,kilocalorie/mole,CHEMBL3402748_5300,8,-7.2
CHEMBL3402748_5300_pose9,-12.942309804396,0.314439276734698,kilocalorie/mole,CHEMBL3402748_5300,9,-7.2
CHEMBL3402749_500_pose0,-18.709132465584,0.402619075926836,kilocalorie/mole,CHEMBL3402749_500,0,-8.6
CHEMBL3402749_500_pose1,-21.1397681819837,0.284454318741816,kilocalorie/mole,CHEMBL3402749_500,1,-8.6
CHEMBL3402749_500_pose2,-9.66573525649397,0.262487595684574,kilocalorie/mole,CHEMBL3402749_500,2,-8.6
CHEMBL3402749_500_pose3,-14.1650933399895,0.314160299208697,kilocalorie/mole,CHEMBL3402749_500,3,-8.6
CHEMBL3402749_500_pose4,-10.6273310216386,0.345772559630516,kilocalorie/mole,CHEMBL3402749_500,4,-8.6
CHEMBL3402749_500_pose5,-13.1825289328582,0.460844490180958,kilocalorie/mole,CHEMBL3402749_500,5,-8.6
CHEMBL3402749_500_pose6,-14.2409832210436,0.411913796388106,kilocalorie/mole,CHEMBL3402749_500,6,-8.6
CHEMBL3402749_500_pose7,-11.3558996939192,0.241628864003941,kilocalorie/mole,CHEMBL3402749_500,7,-8.6
CHEMBL3402749_500_pose8,-12.603647969401,0.34175198741668,kilocalorie/mole,CHEMBL3402749_500,8,-8.6
CHEMBL3402749_500_pose9,-21.4596725470201,0.268599871418789,kilocalorie/mole,CHEMBL3402749_500,9,-8.6
CHEMBL3402750_400_pose0,-20.5012246858782,0.318513113888373,kilocalorie/mole,CHEMBL3402750_400,0,-8.73
CHEMBL3402750_400_pose1,-14.1685466714025,0.331861239898308,kilocalorie/mole,CHEMBL3402750_400,1,-8.73
CHEMBL3402750_400_pose2,-21.9290569850673,0.423496446744756,kilocalorie/mole,CHEMBL3402750_400,2,-8.73
CHEMBL3402750_400_pose3,-11.9328911904779,0.364278940473443,kilocalorie/mole,CHEMBL3402750_400,3,-8.73
CHEMBL3402750_400_pose4,-13.8600859533231,0.429035926087104,kilocalorie/mole,CHEMBL3402750_400,4,-8.73
CHEMBL3402750_400_pose5,-13.7579469073931,0.544498202942927,kilocalorie/mole,CHEMBL3402750_400,5,-8.73
CHEMBL3402750_400_pose6,-13.9560556600717,0.306261509581678,kilocalorie/mole,CHEMBL3402750_400,6,-8.73
CHEMBL3402750_400_pose7,-14.843966307606,0.480358093307376,kilocalorie/mole,CHEMBL3402750_400,7,-8.73
CHEMBL3402750_400_pose8,-19.9092605398333,0.266403789848059,kilocalorie/mole,CHEMBL3402750_400,8,-8.73
CHEMBL3402750_400_pose9,-10.4992517200028,0.304636567386691,kilocalorie/mole,CHEMBL3402750_400,9,-8.73
CHEMBL3402751_2100_pose0,-21.704040618594,0.302661359900196,kilocalorie/mole,CHEMBL3402751_2100,0,-7.75
CHEMBL3402751_2100_pose1,-19.909990655894,0.242448706016321,kilocalorie/mole,CHEMBL3402751_2100,1,-7.75
CHEMBL3402751_2100_pose2,-13.504832988275,0.306930442430634,kilocalorie/mole,CHEMBL3402751_2100,2,-7.75
CHEMBL3402751_2100_pose3,-10.958176124371,0.347463963253584,kilocalorie/mole,CHEMBL3402751_2100,3,-7.75
CHEMBL3402751_2100_pose4,-13.8408947923423,0.434503766149907,kilocalorie/mole,CHEMBL3402751_2100,4,-7.75
CHEMBL3402751_2100_pose5,-13.9177420893548,0.3404995682934,kilocalorie/mole,CHEMBL3402751_2100,5,-7.75
CHEMBL3402751_2100_pose6,-13.3146934555758,0.294827514358992,kilocalorie/mole,CHEMBL3402751_2100,6,-7.75
CHEMBL3402751_2100_pose7,-18.4157030181172,0.500795237597603,kilocalorie/mole,CHEMBL3402751_2100,7,-7.75
CHEMBL3402751_2100_pose8,-9.94412495545839,0.390214115637103,kilocalorie/mole,CHEMBL3402751_2100,8,-7.75
CHEMBL3402751_2100_pose9,-13.9196900937335,0.520203946394445,kilocalorie/mole,CHEMBL3402751_2100,9,-7.75
CHEMBL3402752_30000_pose0,-19.864479953922,0.227238754934848,kilocalorie/mole,CHEMBL3402752_30000,0,-6.17
CHEMBL3402752_30000_pose1,-19.9843249885353,0.293466450672436,kilocalorie/mole,CHEMBL3402752_30000,1,-6.17
CHEMBL3402752_30000_pose2,-13.2095553627963,0.569848564985111,kilocalorie/mole,CHEMBL3402752_30000,2,-6.17
CHEMBL3402752_30000_pose3,-13.8961354447009,0.375020336662941,kilocalorie/mole,CHEMBL3402752_30000,3,-6.17
CHEMBL3402752_30000_pose4,-13.4576334140582,0.341401612777539,kilocalorie/mole,CHEMBL3402752_30000,4,-6.17
CHEMBL3402752_30000_pose5,-13.409198614834,0.235274218944235,kilocalorie/mole,CHEMBL3402752_30000,5,-6.17
CHEMBL3402752_30000_pose6,-17.4431261638555,0.307591874481126,kilocalorie/mole,CHEMBL3402752_30000,6,-6.17
CHEMBL3402752_30000_pose7,-13.1024088324352,0.41264262453066,kilocalorie/mole,CHEMBL3402752_30000,7,-6.17
CHEMBL3402752_30000_pose8,-13.7989252529811,0.274369660719295,kilocalorie/mole,CHEMBL3402752_30000,8,-6.17
CHEMBL3402752_30000_pose9,-14.4253662831064,0.416306721152559,kilocalorie/mole,CHEMBL3402752_30000,9,-6.17
CHEMBL3402753_200_pose0,-23.1081542044625,0.314749259833368,kilocalorie/mole,CHEMBL3402753_200,0,-9.14
CHEMBL3402753_200_pose1,-22.8013812135508,0.323967405044598,kilocalorie/mole,CHEMBL3402753_200,1,-9.14
CHEMBL3402753_200_pose2,-18.5434745560904,0.196533754435232,kilocalorie/mole,CHEMBL3402753_200,2,-9.14
CHEMBL3402753_200_pose3,-12.3009967496378,0.341200279003408,kilocalorie/mole,CHEMBL3402753_200,3,-9.14
CHEMBL3402753_200_pose4,-23.2979753816841,0.264891586893307,kilocalorie/mole,CHEMBL3402753_200,4,-9.14
CHEMBL3402753_200_pose5,-15.1715504924129,0.454120006785888,kilocalorie/mole,CHEMBL3402753_200,5,-9.14
CHEMBL3402753_200_pose6,-11.6940431207824,0.426503848903225,kilocalorie/mole,CHEMBL3402753_200,6,-9.14
CHEMBL3402753_200_pose7,-13.4899242068547,0.434982851611341,kilocalorie/mole,CHEMBL3402753_200,7,-9.14
CHEMBL3402753_200_pose8,-13.9030872029521,0.294451908451432,kilocalorie/mole,CHEMBL3402753_200,8,-9.14
CHEMBL3402753_200_pose9,-13.1369967198852,0.494139041031982,kilocalorie/mole,CHEMBL3402753_200,9,-9.14
CHEMBL3402754_40_pose0,-22.6819629893852,0.282442510822717,kilocalorie/mole,CHEMBL3402754_40,0,-10.09
CHEMBL3402754_40_pose1,-22.9353626613482,0.26322226189457,kilocalorie/mole,CHEMBL3402754_40,1,-10.09
CHEMBL3402754_40_pose2,-23.5077994531673,0.460792443490726,kilocalorie/mole,CHEMBL3402754_40,2,-10.09
CHEMBL3402754_40_pose3,-22.8740617639117,0.318156549276753,kilocalorie/mole,CHEMBL3402754_40,3,-10.09
CHEMBL3402754_40_pose4,-23.2422830710098,0.239396617485904,kilocalorie/mole,CHEMBL3402754_40,4,-10.09
CHEMBL3402754_40_pose5,-12.9624098563205,0.296045649906166,kilocalorie/mole,CHEMBL3402754_40,5,-10.09
CHEMBL3402754_40_pose6,-22.3356068805926,0.279496615561252,kilocalorie/mole,CHEMBL3402754_40,6,-10.09
CHEMBL3402754_40_pose7,-13.5675261703591,0.402527252042966,kilocalorie/mole,CHEMBL3402754_40,7,-10.09
CHEMBL3402754_40_pose8,-12.9536673891277,0.31930990246743,kilocalorie/mole,CHEMBL3402754_40,8,-10.09
CHEMBL3402754_40_pose9,-14.3244290475013,0.432826295367108,kilocalorie/mole,CHEMBL3402754_40,9,-10.09
CHEMBL3402755_4200_pose0,-21.5619371636537,0.248506470192,kilocalorie/mole,CHEMBL3402755_4200,0,-7.34
CHEMBL3402755_4200_pose1,-22.6678211197384,0.418692056135213,kilocalorie/mole,CHEMBL3402755_4200,1,-7.34
CHEMBL3402755_4200_pose2,-15.99415103488,1.01025507314789,kilocalorie/mole,CHEMBL3402755_4200,2,-7.34
CHEMBL3402755_4200_pose3,-12.702296810083,0.20208261876295,kilocalorie/mole,CHEMBL3402755_4200,3,-7.34
CHEMBL3402755_4200_pose4,-16.0865275981327,0.368385556706155,kilocalorie/mole,CHEMBL3402755_4200,4,-7.34
CHEMBL3402755_4200_pose5,-13.2461288881031,0.237776194943117,kilocalorie/mole,CHEMBL3402755_4200,5,-7.34
CHEMBL3402755_4200_pose6,-12.6632931690797,0.373191437388972,kilocalorie/mole,CHEMBL3402755_4200,6,-7.34
CHEMBL3402755_4200_pose7,-20.4702236491492,0.369055190118816,kilocalorie/mole,CHEMBL3402755_4200,7,-7.34
CHEMBL3402755_4200_pose8,-12.6203188360138,0.374497651754177,kilocalorie/mole,CHEMBL3402755_4200,8,-7.34
CHEMBL3402755_4200_pose9,-13.2448162998567,0.32674935672453,kilocalorie/mole,CHEMBL3402755_4200,9,-7.34
CHEMBL3402756_2.7_pose0,-23.718520633028,0.336615038334021,kilocalorie/mole,CHEMBL3402756_2.7,0,-11.69
CHEMBL3402756_2.7_pose1,-23.2765890458335,0.291354367320898,kilocalorie/mole,CHEMBL3402756_2.7,1,-11.69
CHEMBL3402756_2.7_pose2,-29.0022113167235,0.300253998123907,kilocalorie/mole,CHEMBL3402756_2.7,2,-11.69
CHEMBL3402756_2.7_pose3,-19.9509685509772,0.466514750715155,kilocalorie/mole,CHEMBL3402756_2.7,3,-11.69
CHEMBL3402756_2.7_pose4,-24.4347719954813,0.348336851364631,kilocalorie/mole,CHEMBL3402756_2.7,4,-11.69
CHEMBL3402756_2.7_pose5,-26.63533705351,0.370018304639845,kilocalorie/mole,CHEMBL3402756_2.7,5,-11.69
CHEMBL3402756_2.7_pose6,-21.2973619262677,0.456828657650916,kilocalorie/mole,CHEMBL3402756_2.7,6,-11.69
CHEMBL3402756_2.7_pose7,-17.1981318084298,0.471976356271614,kilocalorie/mole,CHEMBL3402756_2.7,7,-11.69
CHEMBL3402756_2.7_pose8,-18.9410397870508,0.479558527076066,kilocalorie/mole,CHEMBL3402756_2.7,8,-11.69
CHEMBL3402756_2.7_pose9,-24.8110840492208,0.601556908413088,kilocalorie/mole,CHEMBL3402756_2.7,9,-11.69
CHEMBL3402757_6.5_pose0,-23.7699390175071,0.416029456105628,kilocalorie/mole,CHEMBL3402757_6.5,0,-11.17
CHEMBL3402757_6.5_pose1,-24.1622924488043,0.303116754176113,kilocalorie/mole,CHEMBL3402757_6.5,1,-11.17
CHEMBL3402757_6.5_pose2,-23.5792789028981,0.537871963051878,kilocalorie/mole,CHEMBL3402757_6.5,2,-11.17
CHEMBL3402757_6.5_pose3,-24.0197653961357,0.278246391160593,kilocalorie/mole,CHEMBL3402757_6.5,3,-11.17
CHEMBL3402757_6.5_pose4,-13.3439214998055,0.438792957187337,kilocalorie/mole,CHEMBL3402757_6.5,4,-11.17
CHEMBL3402757_6.5_pose5,-14.0684599426919,0.415280234378744,kilocalorie/mole,CHEMBL3402757_6.5,5,-11.17
CHEMBL3402757_6.5_pose6,-14.8577523925303,0.37034488936487,kilocalorie/mole,CHEMBL3402757_6.5,6,-11.17
CHEMBL3402757_6.5_pose7,-13.3754397058076,0.328048538750453,kilocalorie/mole,CHEMBL3402757_6.5,7,-11.17
CHEMBL3402757_6.5_pose8,-15.8993184738787,0.469664961967488,kilocalorie/mole,CHEMBL3402757_6.5,8,-11.17
CHEMBL3402757_6.5_pose9,-14.9799917100978,0.291668300996604,kilocalorie/mole,CHEMBL3402757_6.5,9,-11.17
CHEMBL3402758_10_pose0,-25.5966958549461,0.354358872550569,kilocalorie/mole,CHEMBL3402758_10,0,-10.91
CHEMBL3402758_10_pose1,-22.1773312833072,0.452449539286094,kilocalorie/mole,CHEMBL3402758_10,1,-10.91
CHEMBL3402758_10_pose2,-24.6116093098347,0.426460801718748,kilocalorie/mole,CHEMBL3402758_10,2,-10.91
CHEMBL3402758_10_pose3,-15.0573806722372,0.331817292728678,kilocalorie/mole,CHEMBL3402758_10,3,-10.91
CHEMBL3402758_10_pose4,-16.4017073329944,0.420671388412331,kilocalorie/mole,CHEMBL3402758_10,4,-10.91
CHEMBL3402758_10_pose5,-24.7289335608667,0.49710316093818,kilocalorie/mole,CHEMBL3402758_10,5,-10.91
CHEMBL3402758_10_pose6,-24.3894632172226,0.621562675420016,kilocalorie/mole,CHEMBL3402758_10,6,-10.91
CHEMBL3402758_10_pose7,-24.4288597705454,0.394629803243313,kilocalorie/mole,CHEMBL3402758_10,7,-10.91
CHEMBL3402758_10_pose8,-15.4678460862314,0.514115792295796,kilocalorie/mole,CHEMBL3402758_10,8,-10.91
CHEMBL3402758_10_pose9,-11.4887414154517,0.418760740923505,kilocalorie/mole,CHEMBL3402758_10,9,-10.91
CHEMBL3402759_5.7_pose0,-23.8012751762463,0.378513442708159,kilocalorie/mole,CHEMBL3402759_5.7,0,-11.25
CHEMBL3402759_5.7_pose1,-26.2685378228917,0.469737311594765,kilocalorie/mole,CHEMBL3402759_5.7,1,-11.25
CHEMBL3402759_5.7_pose2,-24.7017717809622,0.571188265907691,kilocalorie/mole,CHEMBL3402759_5.7,2,-11.25
CHEMBL3402759_5.7_pose3,-23.5499321804084,0.422613023429512,kilocalorie/mole,CHEMBL3402759_5.7,3,-11.25
CHEMBL3402759_5.7_pose4,-17.778696225523,0.631324601295134,kilocalorie/mole,CHEMBL3402759_5.7,4,-11.25
CHEMBL3402759_5.7_pose5,-24.3691378490626,0.495405065916821,kilocalorie/mole,CHEMBL3402759_5.7,5,-11.25
CHEMBL3402759_5.7_pose6,-16.4086253417373,0.504838691814166,kilocalorie/mole,CHEMBL3402759_5.7,6,-11.25
CHEMBL3402759_5.7_pose7,-15.8252390685683,0.412648187140146,kilocalorie/mole,CHEMBL3402759_5.7,7,-11.25
CHEMBL3402759_5.7_pose8,-14.9099879865742,0.326604972636961,kilocalorie/mole,CHEMBL3402759_5.7,8,-11.25
CHEMBL3402759_5.7_pose9,-12.2632109835693,0.342956827447305,kilocalorie/mole,CHEMBL3402759_5.7,9,-11.25
CHEMBL3402760_1_pose0,-27.8900479327981,0.507020985565289,kilocalorie/mole,CHEMBL3402760_1,0,-12.28
CHEMBL3402760_1_pose1,-25.5608947929832,0.289026158412592,kilocalorie/mole,CHEMBL3402760_1,1,-12.28
CHEMBL3402760_1_pose2,-24.8440410528622,0.310673983010632,kilocalorie/mole,CHEMBL3402760_1,2,-12.28
CHEMBL3402760_1_pose3,-25.7758503717593,0.417869299560904,kilocalorie/mole,CHEMBL3402760_1,3,-12.28
CHEMBL3402760_1_pose4,-24.8932905636998,0.500737741108852,kilocalorie/mole,CHEMBL3402760_1,4,-12.28
CHEMBL3402760_1_pose5,-26.7730666330415,0.458990374630524,kilocalorie/mole,CHEMBL3402760_1,5,-12.28
CHEMBL3402760_1_pose6,-17.6839744103569,0.533843677665796,kilocalorie/mole,CHEMBL3402760_1,6,-12.28
CHEMBL3402760_1_pose7,-27.6397651597761,0.338042319677379,kilocalorie/mole,CHEMBL3402760_1,7,-12.28
CHEMBL3402760_1_pose8,-26.1689637405186,0.430733391848811,kilocalorie/mole,CHEMBL3402760_1,8,-12.28
CHEMBL3402760_1_pose9,-14.4568014156999,0.614868033936553,kilocalorie/mole,CHEMBL3402760_1,9,-12.28
CHEMBL3402761_1_pose0,-28.440946583227,0.756511175698223,kilocalorie/mole,CHEMBL3402761_1,0,-12.28
CHEMBL3402761_1_pose1,-27.1585974146369,0.321361000650379,kilocalorie/mole,CHEMBL3402761_1,1,-12.28
CHEMBL3402761_1_pose2,-29.7157365093111,0.449902253950492,kilocalorie/mole,CHEMBL3402761_1,2,-12.28
CHEMBL3402761_1_pose3,-26.3254732500053,0.34761129960325,kilocalorie/mole,CHEMBL3402761_1,3,-12.28
CHEMBL3402761_1_pose4,-24.3960437709525,0.338658222372214,kilocalorie/mole,CHEMBL3402761_1,4,-12.28
CHEMBL3402761_1_pose5,-26.1335864856114,0.39869812465857,kilocalorie/mole,CHEMBL3402761_1,5,-12.28
CHEMBL3402761_1_pose6,-25.000544110146,0.513847360982048,kilocalorie/mole,CHEMBL3402761_1,6,-12.28
CHEMBL3402761_1_pose7,-24.117742896787,0.380826503088306,kilocalorie/mole,CHEMBL3402761_1,7,-12.28
CHEMBL3402761_1_pose8,-23.6225157422285,0.485377937724649,kilocalorie/mole,CHEMBL3402761_1,8,-12.28
CHEMBL3402761_1_pose9,-30.7594191891138,0.430696057092865,kilocalorie/mole,CHEMBL3402761_1,9,-12.28
CHEMBL3402762_1_pose0,-28.191855132581,0.330567883521741,kilocalorie/mole,CHEMBL3402762_1,0,-12.28
CHEMBL3402762_1_pose1,-30.0723171330716,0.553630702977939,kilocalorie/mole,CHEMBL3402762_1,1,-12.28
CHEMBL3402762_1_pose2,-31.2048955476577,0.406209261996155,kilocalorie/mole,CHEMBL3402762_1,2,-12.28
CHEMBL3402762_1_pose3,-24.7545009481458,0.402880340604904,kilocalorie/mole,CHEMBL3402762_1,3,-12.28
CHEMBL3402762_1_pose4,-25.7749599802998,0.364844655458056,kilocalorie/mole,CHEMBL3402762_1,4,-12.28
CHEMBL3402762_1_pose5,-26.2921143068002,0.2467196393964,kilocalorie/mole,CHEMBL3402762_1,5,-12.28
CHEMBL3402762_1_pose6,-27.6334784086323,0.470568352672719,kilocalorie/mole,CHEMBL3402762_1,6,-12.28
CHEMBL3402762_1_pose7,-16.5359216035138,0.467696898163059,kilocalorie/mole,CHEMBL3402762_1,7,-12.28
CHEMBL3402762_1_pose8,-18.2829105183269,0.522088697736388,kilocalorie/mole,CHEMBL3402762_1,8,-12.28
CHEMBL3402762_1_pose9,-16.2861575638114,0.431647068430108,kilocalorie/mole,CHEMBL3402762_1,9,-12.28
CHEMBL3402763_90_pose0,-24.6831439219295,0.392957176661492,kilocalorie/mole,CHEMBL3402763_90,0,-9.61
CHEMBL3402763_90_pose1,-20.7705393227804,0.496797340704066,kilocalorie/mole,CHEMBL3402763_90,1,-9.61
CHEMBL3402763_90_pose2,-15.8844125890965,0.35032154176262,kilocalorie/mole,CHEMBL3402763_90,2,-9.61
CHEMBL3402763_90_pose3,-26.7944812755611,0.250693610694729,kilocalorie/mole,CHEMBL3402763_90,3,-9.61
CHEMBL3402763_90_pose4,-17.0853318155306,0.587543470468369,kilocalorie/mole,CHEMBL3402763_90,4,-9.61
CHEMBL3402763_90_pose5,-17.9268801931217,0.312516305681567,kilocalorie/mole,CHEMBL3402763_90,5,-9.61
CHEMBL3402763_90_pose6,-16.8424907230366,0.670045718385172,kilocalorie/mole,CHEMBL3402763_90,6,-9.61
CHEMBL3402763_90_pose7,-16.2936193125303,0.591796966715595,kilocalorie/mole,CHEMBL3402763_90,7,-9.61
CHEMBL3402763_90_pose8,-15.2976514307555,0.487377045587297,kilocalorie/mole,CHEMBL3402763_90,8,-9.61
CHEMBL3402763_90_pose9,-16.9528286507776,0.622199427356039,kilocalorie/mole,CHEMBL3402763_90,9,-9.61
CHEMBL3402764_90_pose0,-15.7179690745596,0.525216729855385,kilocalorie/mole,CHEMBL3402764_90,0,-9.61
CHEMBL3402764_90_pose1,-13.6807765175851,0.488330944154172,kilocalorie/mole,CHEMBL3402764_90,1,-9.61
CHEMBL3402764_90_pose2,-21.9652406502998,0.244695830544716,kilocalorie/mole,CHEMBL3402764_90,2,-9.61
CHEMBL3402764_90_pose3,-13.2698785488075,0.511815747093366,kilocalorie/mole,CHEMBL3402764_90,3,-9.61
CHEMBL3402764_90_pose4,-14.1524629803256,0.487418848670553,kilocalorie/mole,CHEMBL3402764_90,4,-9.61
CHEMBL3402764_90_pose5,-14.6281931788674,0.574387937588944,kilocalorie/mole,CHEMBL3402764_90,5,-9.61
CHEMBL3402764_90_pose6,-13.7925476268375,0.530339833475492,kilocalorie/mole,CHEMBL3402764_90,6,-9.61
CHEMBL3402764_90_pose7,-14.0551555678021,0.446391048271532,kilocalorie/mole,CHEMBL3402764_90,7,-9.61
CHEMBL3402764_90_pose8,-12.4346985109056,0.446774447993711,kilocalorie/mole,CHEMBL3402764_90,8,-9.61
CHEMBL3402764_90_pose9,-12.4696028404021,0.473458847521402,kilocalorie/mole,CHEMBL3402764_90,9,-9.61
CHEMBL3402765_11-charged-pKa-8.1_pose0,-20.8407263311272,0.400402367378382,kilocalorie/mole,CHEMBL3402765_11-charged-pKa-8.1,0,-10.86
CHEMBL3402765_11-charged-pKa-8.1_pose1,-25.072791708735,0.362613275399344,kilocalorie/mole,CHEMBL3402765_11-charged-pKa-8.1,1,-10.86
CHEMBL3402765_11-charged-pKa-8.1_pose2,-22.6048513001241,0.500727078017016,kilocalorie/mole,CHEMBL3402765_11-charged-pKa-8.1,2,-10.86
CHEMBL3402765_11-charged-pKa-8.1_pose3,-25.3536227948798,0.463363863956752,kilocalorie/mole,CHEMBL3402765_11-charged-pKa-8.1,3,-10.86
CHEMBL3402765_11-charged-pKa-8.1_pose4,-15.1956997715948,0.502502545715495,kilocalorie/mole,CHEMBL3402765_11-charged-pKa-8.1,4,-10.86
CHEMBL3402765_11-charged-pKa-8.1_pose5,-21.40015582068,0.516128644306436,kilocalorie/mole,CHEMBL3402765_11-charged-pKa-8.1,5,-10.86
CHEMBL3402765_11-charged-pKa-8.1_pose6,-17.4835596803172,0.45863013073359,kilocalorie/mole,CHEMBL3402765_11-charged-pKa-8.1,6,-10.86
CHEMBL3402765_11-charged-pKa-8.1_pose7,-17.4107049324896,0.495811025113489,kilocalorie/mole,CHEMBL3402765_11-charged-pKa-8.1,7,-10.86
CHEMBL3402765_11-charged-pKa-8.1_pose8,-12.9541324186057,0.541785187104534,kilocalorie/mole,CHEMBL3402765_11-charged-pKa-8.1,8,-10.86
CHEMBL3402765_11-charged-pKa-8.1_pose9,-21.3772400347129,0.371026604367729,kilocalorie/mole,CHEMBL3402765_11-charged-pKa-8.1,9,-10.86